data_nef_6rro

save_entry_information
# 
_Entry.Sf_category        entry_information 
_Entry.Sf_framecode       entry_information 
_Entry.ID                 6RRO 
_Entry.Assigned_BMRB_ID   34402 
# 
loop_
_Data_set.Type 
_Data_set.Count 
_Data_set.Entry_ID 
assigned_chemical_shifts     1 6RRO 
general_distance_constraints 4 6RRO 
torsion_angle_constraints    2 6RRO 
stop_
save_
save_assembly
# 
_Assembly.Sf_category                       assembly 
_Assembly.Sf_framecode                      assembly 
_Assembly.Entry_ID                          6RRO 
_Assembly.ID                                1 
_Assembly.Name                              'peptide 536_2' 
_Assembly.BMRB_code                         . 
_Assembly.Number_of_components              1 
_Assembly.Organic_ligands                   . 
_Assembly.Metal_ions                        . 
_Assembly.Non_standard_bonds                . 
_Assembly.Ambiguous_conformational_states   . 
_Assembly.Ambiguous_chem_comp_sites         . 
_Assembly.Molecules_in_chemical_exchange    . 
_Assembly.Paramagnetic                      no 
_Assembly.Thiol_state                       'not present' 
_Assembly.Molecular_mass                    1322.703 
_Assembly.Enzyme_commission_number          . 
_Assembly.Details                           . 
_Assembly.DB_query_date                     . 
_Assembly.DB_query_revised_last_date        . 
# 
loop_
_Entity_assembly.ID 
_Entity_assembly.Entity_assembly_name 
_Entity_assembly.Entity_ID 
_Entity_assembly.Entity_label 
_Entity_assembly.Asym_ID 
_Entity_assembly.PDB_chain_ID 
_Entity_assembly.Experimental_data_reported 
_Entity_assembly.Physical_state 
_Entity_assembly.Conformational_isomer 
_Entity_assembly.Chemical_exchange_state 
_Entity_assembly.Magnetic_equivalence_group_code 
_Entity_assembly.Role 
_Entity_assembly.Details 
_Entity_assembly.Entry_ID 
_Entity_assembly.Assembly_ID 
1 entity_1 1 '$entity_1' A A yes . . . . . ? 6RRO 1 
stop_
# 
loop_
_Chem_comp_assembly.Entity_assembly_ID 
_Chem_comp_assembly.Entity_ID 
_Chem_comp_assembly.Comp_index_ID 
_Chem_comp_assembly.Comp_ID 
_Chem_comp_assembly.Seq_ID 
_Chem_comp_assembly.Auth_asym_ID 
_Chem_comp_assembly.Auth_seq_ID 
_Chem_comp_assembly.Auth_comp_ID 
_Chem_comp_assembly.Auth_variant_ID 
_Chem_comp_assembly.Sequence_linking 
_Chem_comp_assembly.Cis_residue 
_Chem_comp_assembly.Entry_ID 
_Chem_comp_assembly.Assembly_ID 
1 1 1  GLY 1  A 1  GLY . start  no 6RRO 1 
1 1 2  PHE 2  A 2  PHE . middle .  6RRO 1 
1 1 3  ILE 3  A 3  ILE . middle .  6RRO 1 
1 1 4  VAL 4  A 4  VAL . middle .  6RRO 1 
1 1 5  LYS 5  A 5  LYS . middle .  6RRO 1 
1 1 6  ARG 6  A 6  ARG . middle .  6RRO 1 
1 1 7  PHE 7  A 7  PHE . middle .  6RRO 1 
1 1 8  LYS 8  A 8  LYS . middle .  6RRO 1 
1 1 9  ILE 9  A 9  ILE . middle .  6RRO 1 
1 1 10 LEU 10 A 10 LEU . middle .  6RRO 1 
1 1 11 VAL 11 A 11 VAL . end    .  6RRO 1 
stop_
save_
save_entity_1
# 
_Entity.Sf_category                       entity 
_Entity.Sf_framecode                      entity_1 
_Entity.Entry_ID                          6RRO 
_Entity.ID                                1 
_Entity.BMRB_code                         . 
_Entity.Name                              'peptide 536_2' 
_Entity.Type                              polymer 
_Entity.Polymer_common_type               protein 
_Entity.Polymer_type                      'polypeptide(L)' 
_Entity.Polymer_type_details              . 
_Entity.Polymer_strand_ID                 A 
_Entity.Polymer_seq_one_letter_code_can   GFIVKRFKILV 
_Entity.Polymer_seq_one_letter_code       GFIVKRFKILV 
_Entity.Target_identifier                 . 
_Entity.Polymer_author_defined_seq        . 
_Entity.Polymer_author_seq_details        . 
_Entity.Ambiguous_conformational_states   . 
_Entity.Ambiguous_chem_comp_sites         . 
_Entity.Nstd_monomer                      no 
_Entity.Nstd_chirality                    . 
_Entity.Nstd_linkage                      no 
_Entity.Nonpolymer_comp_ID                . 
_Entity.Nonpolymer_comp_label             . 
_Entity.Number_of_monomers                11 
_Entity.Number_of_nonpolymer_components   . 
_Entity.Paramagnetic                      no 
_Entity.Thiol_state                       'not present' 
_Entity.Src_method                        syn 
_Entity.Parent_entity_ID                  . 
_Entity.Fragment                          ? 
_Entity.Mutation                          ? 
_Entity.EC_number                         ? 
_Entity.Calc_isoelectric_point            . 
_Entity.Formula_weight                    1322.703 
_Entity.Formula_weight_exptl              . 
_Entity.Formula_weight_exptl_meth         . 
_Entity.Details                           ? 
_Entity.DB_query_date                     . 
_Entity.DB_query_revised_last_date        . 
# 
loop_
_Entity_comp_index.ID 
_Entity_comp_index.Auth_seq_ID 
_Entity_comp_index.Comp_ID 
_Entity_comp_index.Comp_label 
_Entity_comp_index.Entry_ID 
_Entity_comp_index.Entity_ID 
1  1  GLY . 6RRO 1 
2  2  PHE . 6RRO 1 
3  3  ILE . 6RRO 1 
4  4  VAL . 6RRO 1 
5  5  LYS . 6RRO 1 
6  6  ARG . 6RRO 1 
7  7  PHE . 6RRO 1 
8  8  LYS . 6RRO 1 
9  9  ILE . 6RRO 1 
10 10 LEU . 6RRO 1 
11 11 VAL . 6RRO 1 
stop_
# 
loop_
_Entity_poly_seq.Hetero 
_Entity_poly_seq.Mon_ID 
_Entity_poly_seq.Num 
_Entity_poly_seq.Comp_index_ID 
_Entity_poly_seq.Entry_ID 
_Entity_poly_seq.Entity_ID 
. GLY 1  1  6RRO 1 
. PHE 2  2  6RRO 1 
. ILE 3  3  6RRO 1 
. VAL 4  4  6RRO 1 
. LYS 5  5  6RRO 1 
. ARG 6  6  6RRO 1 
. PHE 7  7  6RRO 1 
. LYS 8  8  6RRO 1 
. ILE 9  9  6RRO 1 
. LEU 10 10 6RRO 1 
. VAL 11 11 6RRO 1 
stop_
save_
save_chemical_shift_reference_1
# 
_Chem_shift_reference.Sf_category    chem_shift_reference 
_Chem_shift_reference.Sf_framecode   chemical_shift_reference_1 
_Chem_shift_reference.Entry_ID       6RRO 
_Chem_shift_reference.ID             1 
# 
loop_
_Chem_shift_ref.Atom_type 
_Chem_shift_ref.Atom_isotope_number 
_Chem_shift_ref.Mol_common_name 
_Chem_shift_ref.Atom_group 
_Chem_shift_ref.Concentration_val 
_Chem_shift_ref.Concentration_units 
_Chem_shift_ref.Solvent 
_Chem_shift_ref.Rank 
_Chem_shift_ref.Chem_shift_units 
_Chem_shift_ref.Chem_shift_val 
_Chem_shift_ref.Ref_method 
_Chem_shift_ref.Ref_type 
_Chem_shift_ref.Indirect_shift_ratio 
_Chem_shift_ref.Entry_ID 
_Chem_shift_ref.Chem_shift_reference_ID 
H 1  water protons          . . . . ppm 4.7 internal direct 0 6RRO 1 
C 13 TSP   'methyl carbons' . . . . ppm 0   external direct 0 6RRO 1 
stop_
save_
save_starch_output
# 
_Assigned_chem_shift_list.Sf_category      assigned_chemical_shifts 
_Assigned_chem_shift_list.Sf_framecode     starch_output 
_Assigned_chem_shift_list.Entry_ID         6RRO 
_Assigned_chem_shift_list.ID               1 
_Assigned_chem_shift_list.Data_file_name   6rro_cs.str 
# 
loop_
_Atom_chem_shift.ID 
_Atom_chem_shift.Entity_assembly_ID 
_Atom_chem_shift.Entity_ID 
_Atom_chem_shift.Comp_index_ID 
_Atom_chem_shift.Seq_ID 
_Atom_chem_shift.Comp_ID 
_Atom_chem_shift.Atom_ID 
_Atom_chem_shift.Atom_type 
_Atom_chem_shift.Atom_isotope_number 
_Atom_chem_shift.Val 
_Atom_chem_shift.Val_err 
_Atom_chem_shift.Assign_fig_of_merit 
_Atom_chem_shift.Ambiguity_code 
_Atom_chem_shift.Ambiguity_set_ID 
_Atom_chem_shift.Occupancy 
_Atom_chem_shift.Resonance_ID 
_Atom_chem_shift.Auth_asym_ID 
_Atom_chem_shift.Auth_seq_ID 
_Atom_chem_shift.Auth_comp_ID 
_Atom_chem_shift.Auth_atom_ID 
_Atom_chem_shift.Original_PDB_strand_ID 
_Atom_chem_shift.Original_PDB_residue_no 
_Atom_chem_shift.Original_PDB_residue_name 
_Atom_chem_shift.Original_PDB_atom_name 
_Atom_chem_shift.Details 
_Atom_chem_shift.Entry_ID 
_Atom_chem_shift.Assigned_chem_shift_list_ID 
1   1 1 1  1  GLY CA   C 13 43.119 0.400 . 1 . . . A 1  GLY CA   A 1  GLY CA   . 6RRO 1 
2   1 1 1  1  GLY HA2  H 1  3.917  0.020 . 2 . . . A 1  GLY HA2  A 1  GLY HA2  . 6RRO 1 
3   1 1 1  1  GLY HA3  H 1  3.831  0.020 . 2 . . . A 1  GLY HA3  A 1  GLY HA3  . 6RRO 1 
4   1 1 2  2  PHE CA   C 13 59.620 0.400 . 1 . . . A 2  PHE CA   A 2  PHE CA   . 6RRO 1 
5   1 1 2  2  PHE HA   H 1  4.470  0.020 . 1 . . . A 2  PHE HA   A 2  PHE HA   . 6RRO 1 
6   1 1 2  2  PHE CB   C 13 39.520 0.400 . 1 . . . A 2  PHE CB   A 2  PHE CB   . 6RRO 1 
7   1 1 2  2  PHE HB2  H 1  3.233  0.020 . 2 . . . A 2  PHE HB2  A 2  PHE HB2  . 6RRO 1 
8   1 1 2  2  PHE HB3  H 1  3.109  0.020 . 2 . . . A 2  PHE HB3  A 2  PHE HB3  . 6RRO 1 
9   1 1 2  2  PHE HD1  H 1  7.261  0.020 . 1 . . . A 2  PHE HD1  A 2  PHE HD1  . 6RRO 1 
10  1 1 2  2  PHE HE1  H 1  7.311  0.020 . 1 . . . A 2  PHE HE1  A 2  PHE HE1  . 6RRO 1 
11  1 1 2  2  PHE HE2  H 1  7.311  0.020 . 1 . . . A 2  PHE HE2  A 2  PHE HE2  . 6RRO 1 
12  1 1 2  2  PHE HD2  H 1  7.261  0.020 . 1 . . . A 2  PHE HD2  A 2  PHE HD2  . 6RRO 1 
13  1 1 3  3  ILE H    H 1  8.601  0.020 . 1 . . . A 3  ILE H    A 3  ILE H    . 6RRO 1 
14  1 1 3  3  ILE CA   C 13 63.703 0.400 . 1 . . . A 3  ILE CA   A 3  ILE CA   . 6RRO 1 
15  1 1 3  3  ILE HA   H 1  3.708  0.020 . 1 . . . A 3  ILE HA   A 3  ILE HA   . 6RRO 1 
16  1 1 3  3  ILE CB   C 13 36.786 0.400 . 1 . . . A 3  ILE CB   A 3  ILE CB   . 6RRO 1 
17  1 1 3  3  ILE HB   H 1  1.984  0.020 . 1 . . . A 3  ILE HB   A 3  ILE HB   . 6RRO 1 
18  1 1 3  3  ILE CG2  C 13 17.233 0.400 . 1 . . . A 3  ILE CG2  A 3  ILE CG2  . 6RRO 1 
19  1 1 3  3  ILE HG21 H 1  0.820  0.020 . 1 . . . A 3  ILE HG21 A 3  ILE HG21 . 6RRO 1 
20  1 1 3  3  ILE HG22 H 1  0.820  0.020 . 1 . . . A 3  ILE HG22 A 3  ILE HG22 . 6RRO 1 
21  1 1 3  3  ILE HG23 H 1  0.820  0.020 . 1 . . . A 3  ILE HG23 A 3  ILE HG23 . 6RRO 1 
22  1 1 3  3  ILE CG1  C 13 28.334 0.400 . 1 . . . A 3  ILE CG1  A 3  ILE CG1  . 6RRO 1 
23  1 1 3  3  ILE HG12 H 1  1.073  0.020 . 2 . . . A 3  ILE HG12 A 3  ILE HG12 . 6RRO 1 
24  1 1 3  3  ILE HG13 H 1  1.507  0.020 . 2 . . . A 3  ILE HG13 A 3  ILE HG13 . 6RRO 1 
25  1 1 3  3  ILE CD1  C 13 12.452 0.400 . 1 . . . A 3  ILE CD1  A 3  ILE CD1  . 6RRO 1 
26  1 1 3  3  ILE HD11 H 1  0.874  0.020 . 1 . . . A 3  ILE HD11 A 3  ILE HD11 . 6RRO 1 
27  1 1 3  3  ILE HD12 H 1  0.874  0.020 . 1 . . . A 3  ILE HD12 A 3  ILE HD12 . 6RRO 1 
28  1 1 3  3  ILE HD13 H 1  0.874  0.020 . 1 . . . A 3  ILE HD13 A 3  ILE HD13 . 6RRO 1 
29  1 1 4  4  VAL H    H 1  8.166  0.020 . 1 . . . A 4  VAL H    A 4  VAL H    . 6RRO 1 
30  1 1 4  4  VAL CA   C 13 65.929 0.400 . 1 . . . A 4  VAL CA   A 4  VAL CA   . 6RRO 1 
31  1 1 4  4  VAL HA   H 1  3.643  0.020 . 1 . . . A 4  VAL HA   A 4  VAL HA   . 6RRO 1 
32  1 1 4  4  VAL CB   C 13 31.269 0.400 . 1 . . . A 4  VAL CB   A 4  VAL CB   . 6RRO 1 
33  1 1 4  4  VAL HB   H 1  2.073  0.020 . 1 . . . A 4  VAL HB   A 4  VAL HB   . 6RRO 1 
34  1 1 4  4  VAL CG1  C 13 21.248 0.400 . 2 . . . A 4  VAL CG1  A 4  VAL CG1  . 6RRO 1 
35  1 1 4  4  VAL HG11 H 1  0.982  0.020 . 2 . . . A 4  VAL HG11 A 4  VAL HG11 . 6RRO 1 
36  1 1 4  4  VAL HG12 H 1  0.982  0.020 . 2 . . . A 4  VAL HG12 A 4  VAL HG12 . 6RRO 1 
37  1 1 4  4  VAL HG13 H 1  0.982  0.020 . 2 . . . A 4  VAL HG13 A 4  VAL HG13 . 6RRO 1 
38  1 1 4  4  VAL CG2  C 13 22.505 0.400 . 2 . . . A 4  VAL CG2  A 4  VAL CG2  . 6RRO 1 
39  1 1 4  4  VAL HG21 H 1  1.040  0.020 . 2 . . . A 4  VAL HG21 A 4  VAL HG21 . 6RRO 1 
40  1 1 4  4  VAL HG22 H 1  1.040  0.020 . 2 . . . A 4  VAL HG22 A 4  VAL HG22 . 6RRO 1 
41  1 1 4  4  VAL HG23 H 1  1.040  0.020 . 2 . . . A 4  VAL HG23 A 4  VAL HG23 . 6RRO 1 
42  1 1 5  5  LYS H    H 1  8.055  0.020 . 1 . . . A 5  LYS H    A 5  LYS H    . 6RRO 1 
43  1 1 5  5  LYS CA   C 13 58.957 0.400 . 1 . . . A 5  LYS CA   A 5  LYS CA   . 6RRO 1 
44  1 1 5  5  LYS HA   H 1  3.955  0.020 . 1 . . . A 5  LYS HA   A 5  LYS HA   . 6RRO 1 
45  1 1 5  5  LYS CB   C 13 32.062 0.400 . 1 . . . A 5  LYS CB   A 5  LYS CB   . 6RRO 1 
46  1 1 5  5  LYS HB2  H 1  1.835  0.020 . 2 . . . A 5  LYS HB2  A 5  LYS HB2  . 6RRO 1 
47  1 1 5  5  LYS HB3  H 1  1.798  0.020 . 2 . . . A 5  LYS HB3  A 5  LYS HB3  . 6RRO 1 
48  1 1 5  5  LYS CG   C 13 24.775 0.400 . 1 . . . A 5  LYS CG   A 5  LYS CG   . 6RRO 1 
49  1 1 5  5  LYS HG2  H 1  1.356  0.020 . 2 . . . A 5  LYS HG2  A 5  LYS HG2  . 6RRO 1 
50  1 1 5  5  LYS HG3  H 1  1.504  0.020 . 2 . . . A 5  LYS HG3  A 5  LYS HG3  . 6RRO 1 
51  1 1 5  5  LYS CD   C 13 28.987 0.400 . 1 . . . A 5  LYS CD   A 5  LYS CD   . 6RRO 1 
52  1 1 5  5  LYS HD2  H 1  1.633  0.020 . 2 . . . A 5  LYS HD2  A 5  LYS HD2  . 6RRO 1 
53  1 1 5  5  LYS HD3  H 1  1.633  0.020 . 2 . . . A 5  LYS HD3  A 5  LYS HD3  . 6RRO 1 
54  1 1 5  5  LYS CE   C 13 41.629 0.400 . 1 . . . A 5  LYS CE   A 5  LYS CE   . 6RRO 1 
55  1 1 5  5  LYS HE2  H 1  2.922  0.020 . 2 . . . A 5  LYS HE2  A 5  LYS HE2  . 6RRO 1 
56  1 1 5  5  LYS HE3  H 1  2.922  0.020 . 2 . . . A 5  LYS HE3  A 5  LYS HE3  . 6RRO 1 
57  1 1 6  6  ARG H    H 1  7.897  0.020 . 1 . . . A 6  ARG H    A 6  ARG H    . 6RRO 1 
58  1 1 6  6  ARG CA   C 13 57.173 0.400 . 1 . . . A 6  ARG CA   A 6  ARG CA   . 6RRO 1 
59  1 1 6  6  ARG HA   H 1  4.044  0.020 . 1 . . . A 6  ARG HA   A 6  ARG HA   . 6RRO 1 
60  1 1 6  6  ARG HB2  H 1  1.765  0.020 . 2 . . . A 6  ARG HB2  A 6  ARG HB2  . 6RRO 1 
61  1 1 6  6  ARG HB3  H 1  1.765  0.020 . 2 . . . A 6  ARG HB3  A 6  ARG HB3  . 6RRO 1 
62  1 1 6  6  ARG CG   C 13 26.635 0.400 . 1 . . . A 6  ARG CG   A 6  ARG CG   . 6RRO 1 
63  1 1 6  6  ARG HG2  H 1  1.507  0.020 . 2 . . . A 6  ARG HG2  A 6  ARG HG2  . 6RRO 1 
64  1 1 6  6  ARG HG3  H 1  1.441  0.020 . 2 . . . A 6  ARG HG3  A 6  ARG HG3  . 6RRO 1 
65  1 1 6  6  ARG CD   C 13 42.147 0.400 . 1 . . . A 6  ARG CD   A 6  ARG CD   . 6RRO 1 
66  1 1 6  6  ARG HD2  H 1  3.057  0.020 . 2 . . . A 6  ARG HD2  A 6  ARG HD2  . 6RRO 1 
67  1 1 6  6  ARG HD3  H 1  3.057  0.020 . 2 . . . A 6  ARG HD3  A 6  ARG HD3  . 6RRO 1 
68  1 1 6  6  ARG HE   H 1  7.642  0.020 . 1 . . . A 6  ARG HE   A 6  ARG HE   . 6RRO 1 
69  1 1 7  7  PHE H    H 1  8.323  0.020 . 1 . . . A 7  PHE H    A 7  PHE H    . 6RRO 1 
70  1 1 7  7  PHE CA   C 13 60.374 0.400 . 1 . . . A 7  PHE CA   A 7  PHE CA   . 6RRO 1 
71  1 1 7  7  PHE HA   H 1  4.240  0.020 . 1 . . . A 7  PHE HA   A 7  PHE HA   . 6RRO 1 
72  1 1 7  7  PHE CB   C 13 38.929 0.400 . 1 . . . A 7  PHE CB   A 7  PHE CB   . 6RRO 1 
73  1 1 7  7  PHE HB2  H 1  3.236  0.020 . 2 . . . A 7  PHE HB2  A 7  PHE HB2  . 6RRO 1 
74  1 1 7  7  PHE HB3  H 1  3.103  0.020 . 2 . . . A 7  PHE HB3  A 7  PHE HB3  . 6RRO 1 
75  1 1 7  7  PHE HD1  H 1  7.120  0.020 . 1 . . . A 7  PHE HD1  A 7  PHE HD1  . 6RRO 1 
76  1 1 7  7  PHE HE1  H 1  7.077  0.020 . 1 . . . A 7  PHE HE1  A 7  PHE HE1  . 6RRO 1 
77  1 1 7  7  PHE HE2  H 1  7.077  0.020 . 1 . . . A 7  PHE HE2  A 7  PHE HE2  . 6RRO 1 
78  1 1 7  7  PHE HD2  H 1  7.120  0.020 . 1 . . . A 7  PHE HD2  A 7  PHE HD2  . 6RRO 1 
79  1 1 8  8  LYS H    H 1  8.291  0.020 . 1 . . . A 8  LYS H    A 8  LYS H    . 6RRO 1 
80  1 1 8  8  LYS CA   C 13 59.178 0.400 . 1 . . . A 8  LYS CA   A 8  LYS CA   . 6RRO 1 
81  1 1 8  8  LYS HA   H 1  3.847  0.020 . 1 . . . A 8  LYS HA   A 8  LYS HA   . 6RRO 1 
82  1 1 8  8  LYS CB   C 13 31.785 0.400 . 1 . . . A 8  LYS CB   A 8  LYS CB   . 6RRO 1 
83  1 1 8  8  LYS HB2  H 1  1.931  0.020 . 2 . . . A 8  LYS HB2  A 8  LYS HB2  . 6RRO 1 
84  1 1 8  8  LYS HB3  H 1  1.877  0.020 . 2 . . . A 8  LYS HB3  A 8  LYS HB3  . 6RRO 1 
85  1 1 8  8  LYS CG   C 13 25.467 0.400 . 1 . . . A 8  LYS CG   A 8  LYS CG   . 6RRO 1 
86  1 1 8  8  LYS HG2  H 1  1.398  0.020 . 2 . . . A 8  LYS HG2  A 8  LYS HG2  . 6RRO 1 
87  1 1 8  8  LYS HG3  H 1  1.688  0.020 . 2 . . . A 8  LYS HG3  A 8  LYS HG3  . 6RRO 1 
88  1 1 8  8  LYS CD   C 13 29.079 0.400 . 1 . . . A 8  LYS CD   A 8  LYS CD   . 6RRO 1 
89  1 1 8  8  LYS HD2  H 1  1.741  0.020 . 2 . . . A 8  LYS HD2  A 8  LYS HD2  . 6RRO 1 
90  1 1 8  8  LYS HD3  H 1  1.741  0.020 . 2 . . . A 8  LYS HD3  A 8  LYS HD3  . 6RRO 1 
91  1 1 8  8  LYS CE   C 13 41.514 0.400 . 1 . . . A 8  LYS CE   A 8  LYS CE   . 6RRO 1 
92  1 1 8  8  LYS HE2  H 1  2.902  0.020 . 2 . . . A 8  LYS HE2  A 8  LYS HE2  . 6RRO 1 
93  1 1 8  8  LYS HE3  H 1  2.902  0.020 . 2 . . . A 8  LYS HE3  A 8  LYS HE3  . 6RRO 1 
94  1 1 9  9  ILE H    H 1  7.546  0.020 . 1 . . . A 9  ILE H    A 9  ILE H    . 6RRO 1 
95  1 1 9  9  ILE CA   C 13 62.876 0.400 . 1 . . . A 9  ILE CA   A 9  ILE CA   . 6RRO 1 
96  1 1 9  9  ILE HA   H 1  3.848  0.020 . 1 . . . A 9  ILE HA   A 9  ILE HA   . 6RRO 1 
97  1 1 9  9  ILE CB   C 13 37.997 0.400 . 1 . . . A 9  ILE CB   A 9  ILE CB   . 6RRO 1 
98  1 1 9  9  ILE HB   H 1  1.907  0.020 . 1 . . . A 9  ILE HB   A 9  ILE HB   . 6RRO 1 
99  1 1 9  9  ILE CG2  C 13 17.012 0.400 . 1 . . . A 9  ILE CG2  A 9  ILE CG2  . 6RRO 1 
100 1 1 9  9  ILE HG21 H 1  0.896  0.020 . 1 . . . A 9  ILE HG21 A 9  ILE HG21 . 6RRO 1 
101 1 1 9  9  ILE HG22 H 1  0.896  0.020 . 1 . . . A 9  ILE HG22 A 9  ILE HG22 . 6RRO 1 
102 1 1 9  9  ILE HG23 H 1  0.896  0.020 . 1 . . . A 9  ILE HG23 A 9  ILE HG23 . 6RRO 1 
103 1 1 9  9  ILE CG1  C 13 28.172 0.400 . 1 . . . A 9  ILE CG1  A 9  ILE CG1  . 6RRO 1 
104 1 1 9  9  ILE HG12 H 1  1.201  0.020 . 2 . . . A 9  ILE HG12 A 9  ILE HG12 . 6RRO 1 
105 1 1 9  9  ILE HG13 H 1  1.636  0.020 . 2 . . . A 9  ILE HG13 A 9  ILE HG13 . 6RRO 1 
106 1 1 9  9  ILE CD1  C 13 12.921 0.400 . 1 . . . A 9  ILE CD1  A 9  ILE CD1  . 6RRO 1 
107 1 1 9  9  ILE HD11 H 1  0.837  0.020 . 1 . . . A 9  ILE HD11 A 9  ILE HD11 . 6RRO 1 
108 1 1 9  9  ILE HD12 H 1  0.837  0.020 . 1 . . . A 9  ILE HD12 A 9  ILE HD12 . 6RRO 1 
109 1 1 9  9  ILE HD13 H 1  0.837  0.020 . 1 . . . A 9  ILE HD13 A 9  ILE HD13 . 6RRO 1 
110 1 1 10 10 LEU H    H 1  7.704  0.020 . 1 . . . A 10 LEU H    A 10 LEU H    . 6RRO 1 
111 1 1 10 10 LEU CA   C 13 56.713 0.400 . 1 . . . A 10 LEU CA   A 10 LEU CA   . 6RRO 1 
112 1 1 10 10 LEU HA   H 1  4.108  0.020 . 1 . . . A 10 LEU HA   A 10 LEU HA   . 6RRO 1 
113 1 1 10 10 LEU CB   C 13 42.292 0.400 . 1 . . . A 10 LEU CB   A 10 LEU CB   . 6RRO 1 
114 1 1 10 10 LEU HB2  H 1  1.758  0.020 . 2 . . . A 10 LEU HB2  A 10 LEU HB2  . 6RRO 1 
115 1 1 10 10 LEU HB3  H 1  1.596  0.020 . 2 . . . A 10 LEU HB3  A 10 LEU HB3  . 6RRO 1 
116 1 1 10 10 LEU CG   C 13 26.589 0.400 . 1 . . . A 10 LEU CG   A 10 LEU CG   . 6RRO 1 
117 1 1 10 10 LEU HG   H 1  1.694  0.020 . 1 . . . A 10 LEU HG   A 10 LEU HG   . 6RRO 1 
118 1 1 10 10 LEU CD1  C 13 23.685 0.400 . 2 . . . A 10 LEU CD1  A 10 LEU CD1  . 6RRO 1 
119 1 1 10 10 LEU HD11 H 1  0.860  0.020 . 2 . . . A 10 LEU HD11 A 10 LEU HD11 . 6RRO 1 
120 1 1 10 10 LEU HD12 H 1  0.860  0.020 . 2 . . . A 10 LEU HD12 A 10 LEU HD12 . 6RRO 1 
121 1 1 10 10 LEU HD13 H 1  0.860  0.020 . 2 . . . A 10 LEU HD13 A 10 LEU HD13 . 6RRO 1 
122 1 1 10 10 LEU CD2  C 13 24.866 0.400 . 2 . . . A 10 LEU CD2  A 10 LEU CD2  . 6RRO 1 
123 1 1 10 10 LEU HD21 H 1  0.885  0.020 . 2 . . . A 10 LEU HD21 A 10 LEU HD21 . 6RRO 1 
124 1 1 10 10 LEU HD22 H 1  0.885  0.020 . 2 . . . A 10 LEU HD22 A 10 LEU HD22 . 6RRO 1 
125 1 1 10 10 LEU HD23 H 1  0.885  0.020 . 2 . . . A 10 LEU HD23 A 10 LEU HD23 . 6RRO 1 
126 1 1 11 11 VAL H    H 1  7.508  0.020 . 1 . . . A 11 VAL H    A 11 VAL H    . 6RRO 1 
127 1 1 11 11 VAL CA   C 13 61.919 0.400 . 1 . . . A 11 VAL CA   A 11 VAL CA   . 6RRO 1 
128 1 1 11 11 VAL HA   H 1  3.987  0.020 . 1 . . . A 11 VAL HA   A 11 VAL HA   . 6RRO 1 
129 1 1 11 11 VAL CB   C 13 31.682 0.400 . 1 . . . A 11 VAL CB   A 11 VAL CB   . 6RRO 1 
130 1 1 11 11 VAL HB   H 1  2.022  0.020 . 1 . . . A 11 VAL HB   A 11 VAL HB   . 6RRO 1 
131 1 1 11 11 VAL CG1  C 13 19.876 0.400 . 2 . . . A 11 VAL CG1  A 11 VAL CG1  . 6RRO 1 
132 1 1 11 11 VAL HG11 H 1  0.751  0.020 . 2 . . . A 11 VAL HG11 A 11 VAL HG11 . 6RRO 1 
133 1 1 11 11 VAL HG12 H 1  0.751  0.020 . 2 . . . A 11 VAL HG12 A 11 VAL HG12 . 6RRO 1 
134 1 1 11 11 VAL HG13 H 1  0.751  0.020 . 2 . . . A 11 VAL HG13 A 11 VAL HG13 . 6RRO 1 
135 1 1 11 11 VAL CG2  C 13 21.240 0.400 . 2 . . . A 11 VAL CG2  A 11 VAL CG2  . 6RRO 1 
136 1 1 11 11 VAL HG21 H 1  0.764  0.020 . 2 . . . A 11 VAL HG21 A 11 VAL HG21 . 6RRO 1 
137 1 1 11 11 VAL HG22 H 1  0.764  0.020 . 2 . . . A 11 VAL HG22 A 11 VAL HG22 . 6RRO 1 
138 1 1 11 11 VAL HG23 H 1  0.764  0.020 . 2 . . . A 11 VAL HG23 A 11 VAL HG23 . 6RRO 1 
stop_
save_
save_constraint_statistics
# 
_Constraint_stat_list.Sf_category                       constraint_statistics 
_Constraint_stat_list.Sf_framecode                      constraint_statistics 
_Constraint_stat_list.Entry_ID                          6RRO 
_Constraint_stat_list.ID                                1 
_Constraint_stat_list.Data_file_name                    6rro.mr 
_Constraint_stat_list.NOE_tot_num                       145 
_Constraint_stat_list.Dihedral_angle_tot_num            21 
_Constraint_stat_list.Protein_dihedral_angle_tot_num    21 
_Constraint_stat_list.NOE_intraresidue_tot_num          94 
_Constraint_stat_list.NOE_sequential_tot_num            25 
_Constraint_stat_list.NOE_medium_range_tot_num          26 
_Constraint_stat_list.NOE_long_range_tot_num            0 
_Constraint_stat_list.NOE_unique_tot_num                145 
_Constraint_stat_list.NOE_intraresidue_unique_tot_num   94 
_Constraint_stat_list.NOE_sequential_unique_tot_num     25 
_Constraint_stat_list.NOE_medium_range_unique_tot_num   26 
_Constraint_stat_list.NOE_long_range_unique_tot_num     0 
_Constraint_stat_list.NOE_unamb_intramol_tot_num        145 
_Constraint_stat_list.NOE_unamb_intermol_tot_num        0 
_Constraint_stat_list.NOE_ambig_intramol_tot_num        0 
_Constraint_stat_list.NOE_ambig_intermol_tot_num        0 
_Constraint_stat_list.NOE_interentity_tot_num           0 
_Constraint_stat_list.NOE_other_tot_num                 0 
_Constraint_stat_list.Protein_phi_angle_tot_num         8 
_Constraint_stat_list.Protein_psi_angle_tot_num         8 
_Constraint_stat_list.Protein_chi_one_angle_tot_num     4 
_Constraint_stat_list.Protein_other_angle_tot_num       1 
_Constraint_stat_list.H_bonds_constrained_tot_num       6 
# 
loop_
_Constraint_file.ID 
_Constraint_file.Constraint_filename 
_Constraint_file.Software_ID 
_Constraint_file.Software_label 
_Constraint_file.Software_name 
_Constraint_file.Block_ID 
_Constraint_file.Constraint_type 
_Constraint_file.Constraint_subtype 
_Constraint_file.Constraint_subsubtype 
_Constraint_file.Constraint_number 
_Constraint_file.Entry_ID 
_Constraint_file.Constraint_stat_list_ID 
1 hbond.lol          1 . CYANA 1 distance                 NOE                        simple 18  6RRO 1 
2 hbond.upl          1 . CYANA 2 distance                 'hydrogen bond'            simple 12  6RRO 1 
2 hbond.upl          1 . CYANA 3 distance                 NOE                        simple 6   6RRO 1 
3 noesy.upl          1 . CYANA 4 distance                 NOE                        simple 139 6RRO 1 
4 chi.aco            1 . CYANA 5 'protein dihedral angle' 'backbone chemical shifts' .      5   6RRO 1 
5 pep536_2_talos.aco 1 . CYANA 6 'protein dihedral angle' 'backbone chemical shifts' .      16  6RRO 1 
stop_
save_
save_CYANA_distance_restraints_1
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         CYANA_distance_restraints_1 
_Gen_dist_constraint_list.Entry_ID             6RRO 
_Gen_dist_constraint_list.ID                   1 
_Gen_dist_constraint_list.Data_file_name       hbond.lol 
_Gen_dist_constraint_list.Constraint_type      NOE 
_Gen_dist_constraint_list.Constraint_file_ID   1 
_Gen_dist_constraint_list.Potential_type       lower-bound-parabolic 
_Gen_dist_constraint_list.Block_ID             1 
# 
loop_
_Gen_dist_constraint.Index_ID 
_Gen_dist_constraint.ID 
_Gen_dist_constraint.Combination_ID 
_Gen_dist_constraint.Member_ID 
_Gen_dist_constraint.Member_logic_code 
_Gen_dist_constraint.Entity_assembly_ID_1 
_Gen_dist_constraint.Entity_ID_1 
_Gen_dist_constraint.Comp_index_ID_1 
_Gen_dist_constraint.Comp_ID_1 
_Gen_dist_constraint.Atom_ID_1 
_Gen_dist_constraint.Entity_assembly_ID_2 
_Gen_dist_constraint.Entity_ID_2 
_Gen_dist_constraint.Comp_index_ID_2 
_Gen_dist_constraint.Comp_ID_2 
_Gen_dist_constraint.Atom_ID_2 
_Gen_dist_constraint.Distance_val 
_Gen_dist_constraint.Target_val 
_Gen_dist_constraint.Target_val_uncertainty 
_Gen_dist_constraint.Lower_linear_limit 
_Gen_dist_constraint.Upper_linear_limit 
_Gen_dist_constraint.Distance_lower_bound_val 
_Gen_dist_constraint.Distance_upper_bound_val 
_Gen_dist_constraint.Weight 
_Gen_dist_constraint.Auth_asym_ID_1 
_Gen_dist_constraint.Auth_seq_ID_1 
_Gen_dist_constraint.Auth_comp_ID_1 
_Gen_dist_constraint.Auth_atom_ID_1 
_Gen_dist_constraint.Auth_atom_name_1 
_Gen_dist_constraint.Auth_asym_ID_2 
_Gen_dist_constraint.Auth_seq_ID_2 
_Gen_dist_constraint.Auth_comp_ID_2 
_Gen_dist_constraint.Auth_atom_ID_2 
_Gen_dist_constraint.Auth_atom_name_2 
_Gen_dist_constraint.Entry_ID 
_Gen_dist_constraint.Gen_dist_constraint_list_ID 
1  1  . . . 1 1 7 PHE O 1 1 11 VAL H . . . . . 1.7 . 9.0 A 7 PHE O O A 11 VAL H H 6RRO 1 
2  2  . . . 1 1 7 PHE C 1 1 11 VAL H . . . . . 2.6 . 9.0 A 7 PHE C C A 11 VAL H H 6RRO 1 
3  3  . . . 1 1 7 PHE O 1 1 11 VAL N . . . . . 2.6 . 9.0 A 7 PHE O O A 11 VAL N N 6RRO 1 
4  4  . . . 1 1 6 ARG O 1 1 10 LEU H . . . . . 1.7 . 9.0 A 6 ARG O O A 10 LEU H H 6RRO 1 
5  5  . . . 1 1 6 ARG C 1 1 10 LEU H . . . . . 2.6 . 9.0 A 6 ARG C C A 10 LEU H H 6RRO 1 
6  6  . . . 1 1 6 ARG O 1 1 10 LEU N . . . . . 2.6 . 9.0 A 6 ARG O O A 10 LEU N N 6RRO 1 
7  7  . . . 1 1 5 LYS O 1 1 9  ILE H . . . . . 1.7 . 9.0 A 5 LYS O O A 9  ILE H H 6RRO 1 
8  8  . . . 1 1 5 LYS C 1 1 9  ILE H . . . . . 2.6 . 9.0 A 5 LYS C C A 9  ILE H H 6RRO 1 
9  9  . . . 1 1 5 LYS O 1 1 9  ILE N . . . . . 2.6 . 9.0 A 5 LYS O O A 9  ILE N N 6RRO 1 
10 10 . . . 1 1 4 VAL O 1 1 8  LYS H . . . . . 1.7 . 9.0 A 4 VAL O O A 8  LYS H H 6RRO 1 
11 11 . . . 1 1 4 VAL C 1 1 8  LYS H . . . . . 2.6 . 9.0 A 4 VAL C C A 8  LYS H H 6RRO 1 
12 12 . . . 1 1 4 VAL O 1 1 8  LYS N . . . . . 2.6 . 9.0 A 4 VAL O O A 8  LYS N N 6RRO 1 
13 13 . . . 1 1 3 ILE O 1 1 7  PHE H . . . . . 1.7 . 9.0 A 3 ILE O O A 7  PHE H H 6RRO 1 
14 14 . . . 1 1 3 ILE C 1 1 7  PHE H . . . . . 2.6 . 9.0 A 3 ILE C C A 7  PHE H H 6RRO 1 
15 15 . . . 1 1 3 ILE O 1 1 7  PHE N . . . . . 2.6 . 9.0 A 3 ILE O O A 7  PHE N N 6RRO 1 
16 16 . . . 1 1 2 PHE O 1 1 6  ARG H . . . . . 1.7 . 9.0 A 2 PHE O O A 6  ARG H H 6RRO 1 
17 17 . . . 1 1 2 PHE C 1 1 6  ARG H . . . . . 2.6 . 9.0 A 2 PHE C C A 6  ARG H H 6RRO 1 
18 18 . . . 1 1 2 PHE O 1 1 6  ARG N . . . . . 2.6 . 9.0 A 2 PHE O O A 6  ARG N N 6RRO 1 
stop_
save_
save_CYANA_distance_restraints_2
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         CYANA_distance_restraints_2 
_Gen_dist_constraint_list.Entry_ID             6RRO 
_Gen_dist_constraint_list.ID                   2 
_Gen_dist_constraint_list.Data_file_name       hbond.upl 
_Gen_dist_constraint_list.Constraint_type      'hydrogen bond' 
_Gen_dist_constraint_list.Constraint_file_ID   2 
_Gen_dist_constraint_list.Potential_type       upper-bound-parabolic 
_Gen_dist_constraint_list.Block_ID             2 
# 
loop_
_Gen_dist_constraint.Index_ID 
_Gen_dist_constraint.ID 
_Gen_dist_constraint.Combination_ID 
_Gen_dist_constraint.Member_ID 
_Gen_dist_constraint.Member_logic_code 
_Gen_dist_constraint.Entity_assembly_ID_1 
_Gen_dist_constraint.Entity_ID_1 
_Gen_dist_constraint.Comp_index_ID_1 
_Gen_dist_constraint.Comp_ID_1 
_Gen_dist_constraint.Atom_ID_1 
_Gen_dist_constraint.Entity_assembly_ID_2 
_Gen_dist_constraint.Entity_ID_2 
_Gen_dist_constraint.Comp_index_ID_2 
_Gen_dist_constraint.Comp_ID_2 
_Gen_dist_constraint.Atom_ID_2 
_Gen_dist_constraint.Distance_val 
_Gen_dist_constraint.Target_val 
_Gen_dist_constraint.Target_val_uncertainty 
_Gen_dist_constraint.Lower_linear_limit 
_Gen_dist_constraint.Upper_linear_limit 
_Gen_dist_constraint.Distance_lower_bound_val 
_Gen_dist_constraint.Distance_upper_bound_val 
_Gen_dist_constraint.Weight 
_Gen_dist_constraint.Auth_asym_ID_1 
_Gen_dist_constraint.Auth_seq_ID_1 
_Gen_dist_constraint.Auth_comp_ID_1 
_Gen_dist_constraint.Auth_atom_ID_1 
_Gen_dist_constraint.Auth_atom_name_1 
_Gen_dist_constraint.Auth_asym_ID_2 
_Gen_dist_constraint.Auth_seq_ID_2 
_Gen_dist_constraint.Auth_comp_ID_2 
_Gen_dist_constraint.Auth_atom_ID_2 
_Gen_dist_constraint.Auth_atom_name_2 
_Gen_dist_constraint.Entry_ID 
_Gen_dist_constraint.Gen_dist_constraint_list_ID 
1  1  . . . 1 1 7 PHE O 1 1 11 VAL H . . . . . . 2.2 9.0 A 7 PHE O O A 11 VAL H H 6RRO 2 
2  2  . . . 1 1 7 PHE O 1 1 11 VAL N . . . . . . 3.3 9.0 A 7 PHE O O A 11 VAL N N 6RRO 2 
3  3  . . . 1 1 6 ARG O 1 1 10 LEU H . . . . . . 2.2 9.0 A 6 ARG O O A 10 LEU H H 6RRO 2 
4  4  . . . 1 1 6 ARG O 1 1 10 LEU N . . . . . . 3.3 9.0 A 6 ARG O O A 10 LEU N N 6RRO 2 
5  5  . . . 1 1 5 LYS O 1 1 9  ILE H . . . . . . 2.2 9.0 A 5 LYS O O A 9  ILE H H 6RRO 2 
6  6  . . . 1 1 5 LYS O 1 1 9  ILE N . . . . . . 3.3 9.0 A 5 LYS O O A 9  ILE N N 6RRO 2 
7  7  . . . 1 1 4 VAL O 1 1 8  LYS H . . . . . . 2.2 9.0 A 4 VAL O O A 8  LYS H H 6RRO 2 
8  8  . . . 1 1 4 VAL O 1 1 8  LYS N . . . . . . 3.3 9.0 A 4 VAL O O A 8  LYS N N 6RRO 2 
9  9  . . . 1 1 3 ILE O 1 1 7  PHE H . . . . . . 2.2 9.0 A 3 ILE O O A 7  PHE H H 6RRO 2 
10 10 . . . 1 1 3 ILE O 1 1 7  PHE N . . . . . . 3.3 9.0 A 3 ILE O O A 7  PHE N N 6RRO 2 
11 11 . . . 1 1 2 PHE O 1 1 6  ARG H . . . . . . 2.2 9.0 A 2 PHE O O A 6  ARG H H 6RRO 2 
12 12 . . . 1 1 2 PHE O 1 1 6  ARG N . . . . . . 3.3 9.0 A 2 PHE O O A 6  ARG N N 6RRO 2 
stop_
save_
save_CYANA_distance_restraints_3
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         CYANA_distance_restraints_3 
_Gen_dist_constraint_list.Entry_ID             6RRO 
_Gen_dist_constraint_list.ID                   3 
_Gen_dist_constraint_list.Data_file_name       hbond.upl 
_Gen_dist_constraint_list.Constraint_type      NOE 
_Gen_dist_constraint_list.Constraint_file_ID   2 
_Gen_dist_constraint_list.Potential_type       upper-bound-parabolic 
_Gen_dist_constraint_list.Block_ID             3 
# 
loop_
_Gen_dist_constraint.Index_ID 
_Gen_dist_constraint.ID 
_Gen_dist_constraint.Combination_ID 
_Gen_dist_constraint.Member_ID 
_Gen_dist_constraint.Member_logic_code 
_Gen_dist_constraint.Entity_assembly_ID_1 
_Gen_dist_constraint.Entity_ID_1 
_Gen_dist_constraint.Comp_index_ID_1 
_Gen_dist_constraint.Comp_ID_1 
_Gen_dist_constraint.Atom_ID_1 
_Gen_dist_constraint.Entity_assembly_ID_2 
_Gen_dist_constraint.Entity_ID_2 
_Gen_dist_constraint.Comp_index_ID_2 
_Gen_dist_constraint.Comp_ID_2 
_Gen_dist_constraint.Atom_ID_2 
_Gen_dist_constraint.Distance_val 
_Gen_dist_constraint.Target_val 
_Gen_dist_constraint.Target_val_uncertainty 
_Gen_dist_constraint.Lower_linear_limit 
_Gen_dist_constraint.Upper_linear_limit 
_Gen_dist_constraint.Distance_lower_bound_val 
_Gen_dist_constraint.Distance_upper_bound_val 
_Gen_dist_constraint.Weight 
_Gen_dist_constraint.Auth_asym_ID_1 
_Gen_dist_constraint.Auth_seq_ID_1 
_Gen_dist_constraint.Auth_comp_ID_1 
_Gen_dist_constraint.Auth_atom_ID_1 
_Gen_dist_constraint.Auth_atom_name_1 
_Gen_dist_constraint.Auth_asym_ID_2 
_Gen_dist_constraint.Auth_seq_ID_2 
_Gen_dist_constraint.Auth_comp_ID_2 
_Gen_dist_constraint.Auth_atom_ID_2 
_Gen_dist_constraint.Auth_atom_name_2 
_Gen_dist_constraint.Entry_ID 
_Gen_dist_constraint.Gen_dist_constraint_list_ID 
1 1 . . . 1 1 7 PHE C 1 1 11 VAL H . . . . . . 3.3 9.0 A 7 PHE C C A 11 VAL H H 6RRO 3 
2 2 . . . 1 1 6 ARG C 1 1 10 LEU H . . . . . . 3.3 9.0 A 6 ARG C C A 10 LEU H H 6RRO 3 
3 3 . . . 1 1 5 LYS C 1 1 9  ILE H . . . . . . 3.3 9.0 A 5 LYS C C A 9  ILE H H 6RRO 3 
4 4 . . . 1 1 4 VAL C 1 1 8  LYS H . . . . . . 3.3 9.0 A 4 VAL C C A 8  LYS H H 6RRO 3 
5 5 . . . 1 1 3 ILE C 1 1 7  PHE H . . . . . . 3.3 9.0 A 3 ILE C C A 7  PHE H H 6RRO 3 
6 6 . . . 1 1 2 PHE C 1 1 6  ARG H . . . . . . 3.3 9.0 A 2 PHE C C A 6  ARG H H 6RRO 3 
stop_
save_
save_CYANA_distance_restraints_4
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         CYANA_distance_restraints_4 
_Gen_dist_constraint_list.Entry_ID             6RRO 
_Gen_dist_constraint_list.ID                   4 
_Gen_dist_constraint_list.Data_file_name       noesy.upl 
_Gen_dist_constraint_list.Constraint_type      NOE 
_Gen_dist_constraint_list.Constraint_file_ID   3 
_Gen_dist_constraint_list.Potential_type       upper-bound-parabolic 
_Gen_dist_constraint_list.Block_ID             4 
# 
loop_
_Gen_dist_constraint.Index_ID 
_Gen_dist_constraint.ID 
_Gen_dist_constraint.Combination_ID 
_Gen_dist_constraint.Member_ID 
_Gen_dist_constraint.Member_logic_code 
_Gen_dist_constraint.Entity_assembly_ID_1 
_Gen_dist_constraint.Entity_ID_1 
_Gen_dist_constraint.Comp_index_ID_1 
_Gen_dist_constraint.Comp_ID_1 
_Gen_dist_constraint.Atom_ID_1 
_Gen_dist_constraint.Entity_assembly_ID_2 
_Gen_dist_constraint.Entity_ID_2 
_Gen_dist_constraint.Comp_index_ID_2 
_Gen_dist_constraint.Comp_ID_2 
_Gen_dist_constraint.Atom_ID_2 
_Gen_dist_constraint.Distance_val 
_Gen_dist_constraint.Target_val 
_Gen_dist_constraint.Target_val_uncertainty 
_Gen_dist_constraint.Lower_linear_limit 
_Gen_dist_constraint.Upper_linear_limit 
_Gen_dist_constraint.Distance_lower_bound_val 
_Gen_dist_constraint.Distance_upper_bound_val 
_Gen_dist_constraint.Weight 
_Gen_dist_constraint.Auth_asym_ID_1 
_Gen_dist_constraint.Auth_seq_ID_1 
_Gen_dist_constraint.Auth_comp_ID_1 
_Gen_dist_constraint.Auth_atom_ID_1 
_Gen_dist_constraint.Auth_atom_name_1 
_Gen_dist_constraint.Auth_asym_ID_2 
_Gen_dist_constraint.Auth_seq_ID_2 
_Gen_dist_constraint.Auth_comp_ID_2 
_Gen_dist_constraint.Auth_atom_ID_2 
_Gen_dist_constraint.Auth_atom_name_2 
_Gen_dist_constraint.Entry_ID 
_Gen_dist_constraint.Gen_dist_constraint_list_ID 
1   1   . . OR 1 1 3  ILE HG21 1 1 6  ARG H    . . . . . . 4.77 1.0 A 3  ILE HG21 QG2 A 6  ARG H    H    6RRO 4 
2   1   . . OR 1 1 3  ILE HG22 1 1 6  ARG H    . . . . . . 4.77 1.0 A 3  ILE HG22 QG2 A 6  ARG H    H    6RRO 4 
3   1   . . OR 1 1 3  ILE HG23 1 1 6  ARG H    . . . . . . 4.77 1.0 A 3  ILE HG23 QG2 A 6  ARG H    H    6RRO 4 
4   2   . . .  1 1 5  LYS HG2  1 1 6  ARG H    . . . . . . 4.93 1.0 A 5  LYS HG2  HG2 A 6  ARG H    H    6RRO 4 
5   3   . . OR 1 1 6  ARG HA   1 1 9  ILE HD11 . . . . . . 3.62 1.0 A 6  ARG HA   HA  A 9  ILE HD11 QD1  6RRO 4 
6   3   . . OR 1 1 6  ARG HA   1 1 9  ILE HD12 . . . . . . 3.62 1.0 A 6  ARG HA   HA  A 9  ILE HD12 QD1  6RRO 4 
7   3   . . OR 1 1 6  ARG HA   1 1 9  ILE HD13 . . . . . . 3.62 1.0 A 6  ARG HA   HA  A 9  ILE HD13 QD1  6RRO 4 
8   4   . . OR 1 1 3  ILE HG21 1 1 3  ILE HG13 . . . . . . 3.7  1.0 A 3  ILE HG21 QG2 A 3  ILE HG13 HG13 6RRO 4 
9   4   . . OR 1 1 3  ILE HG22 1 1 3  ILE HG13 . . . . . . 3.7  1.0 A 3  ILE HG22 QG2 A 3  ILE HG13 HG13 6RRO 4 
10  4   . . OR 1 1 3  ILE HG23 1 1 3  ILE HG13 . . . . . . 3.7  1.0 A 3  ILE HG23 QG2 A 3  ILE HG13 HG13 6RRO 4 
11  4   . . OR 1 1 3  ILE HG21 1 1 3  ILE HG12 . . . . . . 3.54 1.0 A 3  ILE HG21 QG2 A 3  ILE HG12 HG12 6RRO 4 
12  4   . . OR 1 1 3  ILE HG22 1 1 3  ILE HG12 . . . . . . 3.54 1.0 A 3  ILE HG22 QG2 A 3  ILE HG12 HG12 6RRO 4 
13  4   . . OR 1 1 3  ILE HG23 1 1 3  ILE HG12 . . . . . . 3.54 1.0 A 3  ILE HG23 QG2 A 3  ILE HG12 HG12 6RRO 4 
14  5   . . OR 1 1 3  ILE HG21 1 1 4  VAL H    . . . . . . 3.93 1.0 A 3  ILE HG21 QG2 A 4  VAL H    H    6RRO 4 
15  5   . . OR 1 1 3  ILE HG22 1 1 4  VAL H    . . . . . . 3.93 1.0 A 3  ILE HG22 QG2 A 4  VAL H    H    6RRO 4 
16  5   . . OR 1 1 3  ILE HG23 1 1 4  VAL H    . . . . . . 3.93 1.0 A 3  ILE HG23 QG2 A 4  VAL H    H    6RRO 4 
17  6   . . OR 1 1 3  ILE HA   1 1 3  ILE HG21 . . . . . . 3.24 1.0 A 3  ILE HA   HA  A 3  ILE HG21 QG2  6RRO 4 
18  6   . . OR 1 1 3  ILE HA   1 1 3  ILE HG22 . . . . . . 3.24 1.0 A 3  ILE HA   HA  A 3  ILE HG22 QG2  6RRO 4 
19  6   . . OR 1 1 3  ILE HA   1 1 3  ILE HG23 . . . . . . 3.24 1.0 A 3  ILE HA   HA  A 3  ILE HG23 QG2  6RRO 4 
20  7   . . OR 1 1 3  ILE HG21 1 1 3  ILE HD11 . . . . . . 2.4  1.0 A 3  ILE HG21 QG2 A 3  ILE HD11 QD1  6RRO 4 
21  7   . . OR 1 1 3  ILE HG21 1 1 3  ILE HD12 . . . . . . 2.4  1.0 A 3  ILE HG21 QG2 A 3  ILE HD12 QD1  6RRO 4 
22  7   . . OR 1 1 3  ILE HG21 1 1 3  ILE HD13 . . . . . . 2.4  1.0 A 3  ILE HG21 QG2 A 3  ILE HD13 QD1  6RRO 4 
23  7   . . OR 1 1 3  ILE HG22 1 1 3  ILE HD11 . . . . . . 2.4  1.0 A 3  ILE HG22 QG2 A 3  ILE HD11 QD1  6RRO 4 
24  7   . . OR 1 1 3  ILE HG22 1 1 3  ILE HD12 . . . . . . 2.4  1.0 A 3  ILE HG22 QG2 A 3  ILE HD12 QD1  6RRO 4 
25  7   . . OR 1 1 3  ILE HG22 1 1 3  ILE HD13 . . . . . . 2.4  1.0 A 3  ILE HG22 QG2 A 3  ILE HD13 QD1  6RRO 4 
26  7   . . OR 1 1 3  ILE HG23 1 1 3  ILE HD11 . . . . . . 2.4  1.0 A 3  ILE HG23 QG2 A 3  ILE HD11 QD1  6RRO 4 
27  7   . . OR 1 1 3  ILE HG23 1 1 3  ILE HD12 . . . . . . 2.4  1.0 A 3  ILE HG23 QG2 A 3  ILE HD12 QD1  6RRO 4 
28  7   . . OR 1 1 3  ILE HG23 1 1 3  ILE HD13 . . . . . . 2.4  1.0 A 3  ILE HG23 QG2 A 3  ILE HD13 QD1  6RRO 4 
29  8   . . OR 1 1 3  ILE H    1 1 3  ILE HG21 . . . . . . 4.12 1.0 A 3  ILE H    H   A 3  ILE HG21 QG2  6RRO 4 
30  8   . . OR 1 1 3  ILE H    1 1 3  ILE HG22 . . . . . . 4.12 1.0 A 3  ILE H    H   A 3  ILE HG22 QG2  6RRO 4 
31  8   . . OR 1 1 3  ILE H    1 1 3  ILE HG23 . . . . . . 4.12 1.0 A 3  ILE H    H   A 3  ILE HG23 QG2  6RRO 4 
32  9   . . .  1 1 6  ARG HA   1 1 9  ILE HB   . . . . . . 4.01 1.0 A 6  ARG HA   HA  A 9  ILE HB   HB   6RRO 4 
33  10  . . .  1 1 6  ARG HA   1 1 6  ARG HG2  . . . . . . 4.2  1.0 A 6  ARG HA   HA  A 6  ARG HG2  HG2  6RRO 4 
34  11  . . OR 1 1 6  ARG HA   1 1 6  ARG HD2  . . . . . . 3.77 1.0 A 6  ARG HA   HA  A 6  ARG HD2  QD   6RRO 4 
35  11  . . OR 1 1 6  ARG HA   1 1 6  ARG HD3  . . . . . . 3.77 1.0 A 6  ARG HA   HA  A 6  ARG HD3  QD   6RRO 4 
36  12  . . OR 1 1 4  VAL HA   1 1 4  VAL HG21 . . . . . . 3.38 1.0 A 4  VAL HA   HA  A 4  VAL HG21 QG2  6RRO 4 
37  12  . . OR 1 1 4  VAL HA   1 1 4  VAL HG22 . . . . . . 3.38 1.0 A 4  VAL HA   HA  A 4  VAL HG22 QG2  6RRO 4 
38  12  . . OR 1 1 4  VAL HA   1 1 4  VAL HG23 . . . . . . 3.38 1.0 A 4  VAL HA   HA  A 4  VAL HG23 QG2  6RRO 4 
39  13  . . OR 1 1 6  ARG HA   1 1 9  ILE HG21 . . . . . . 4.01 1.0 A 6  ARG HA   HA  A 9  ILE HG21 QG2  6RRO 4 
40  13  . . OR 1 1 6  ARG HA   1 1 9  ILE HG22 . . . . . . 4.01 1.0 A 6  ARG HA   HA  A 9  ILE HG22 QG2  6RRO 4 
41  13  . . OR 1 1 6  ARG HA   1 1 9  ILE HG23 . . . . . . 4.01 1.0 A 6  ARG HA   HA  A 9  ILE HG23 QG2  6RRO 4 
42  14  . . OR 1 1 9  ILE HG21 1 1 9  ILE HD11 . . . . . . 2.4  1.0 A 9  ILE HG21 QG2 A 9  ILE HD11 QD1  6RRO 4 
43  14  . . OR 1 1 9  ILE HG21 1 1 9  ILE HD12 . . . . . . 2.4  1.0 A 9  ILE HG21 QG2 A 9  ILE HD12 QD1  6RRO 4 
44  14  . . OR 1 1 9  ILE HG21 1 1 9  ILE HD13 . . . . . . 2.4  1.0 A 9  ILE HG21 QG2 A 9  ILE HD13 QD1  6RRO 4 
45  14  . . OR 1 1 9  ILE HG22 1 1 9  ILE HD11 . . . . . . 2.4  1.0 A 9  ILE HG22 QG2 A 9  ILE HD11 QD1  6RRO 4 
46  14  . . OR 1 1 9  ILE HG22 1 1 9  ILE HD12 . . . . . . 2.4  1.0 A 9  ILE HG22 QG2 A 9  ILE HD12 QD1  6RRO 4 
47  14  . . OR 1 1 9  ILE HG22 1 1 9  ILE HD13 . . . . . . 2.4  1.0 A 9  ILE HG22 QG2 A 9  ILE HD13 QD1  6RRO 4 
48  14  . . OR 1 1 9  ILE HG23 1 1 9  ILE HD11 . . . . . . 2.4  1.0 A 9  ILE HG23 QG2 A 9  ILE HD11 QD1  6RRO 4 
49  14  . . OR 1 1 9  ILE HG23 1 1 9  ILE HD12 . . . . . . 2.4  1.0 A 9  ILE HG23 QG2 A 9  ILE HD12 QD1  6RRO 4 
50  14  . . OR 1 1 9  ILE HG23 1 1 9  ILE HD13 . . . . . . 2.4  1.0 A 9  ILE HG23 QG2 A 9  ILE HD13 QD1  6RRO 4 
51  15  . . OR 1 1 9  ILE HA   1 1 9  ILE HG21 . . . . . . 3.23 1.0 A 9  ILE HA   HA  A 9  ILE HG21 QG2  6RRO 4 
52  15  . . OR 1 1 9  ILE HA   1 1 9  ILE HG22 . . . . . . 3.23 1.0 A 9  ILE HA   HA  A 9  ILE HG22 QG2  6RRO 4 
53  15  . . OR 1 1 9  ILE HA   1 1 9  ILE HG23 . . . . . . 3.23 1.0 A 9  ILE HA   HA  A 9  ILE HG23 QG2  6RRO 4 
54  16  . . OR 1 1 9  ILE H    1 1 9  ILE HG21 . . . . . . 3.68 1.0 A 9  ILE H    H   A 9  ILE HG21 QG2  6RRO 4 
55  16  . . OR 1 1 9  ILE H    1 1 9  ILE HG22 . . . . . . 3.68 1.0 A 9  ILE H    H   A 9  ILE HG22 QG2  6RRO 4 
56  16  . . OR 1 1 9  ILE H    1 1 9  ILE HG23 . . . . . . 3.68 1.0 A 9  ILE H    H   A 9  ILE HG23 QG2  6RRO 4 
57  17  . . OR 1 1 10 LEU HA   1 1 10 LEU HD11 . . . . . . 3.49 1.0 A 10 LEU HA   HA  A 10 LEU HD11 QD1  6RRO 4 
58  17  . . OR 1 1 10 LEU HA   1 1 10 LEU HD12 . . . . . . 3.49 1.0 A 10 LEU HA   HA  A 10 LEU HD12 QD1  6RRO 4 
59  17  . . OR 1 1 10 LEU HA   1 1 10 LEU HD13 . . . . . . 3.49 1.0 A 10 LEU HA   HA  A 10 LEU HD13 QD1  6RRO 4 
60  18  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD11 . . . . . . 3.68 1.0 A 10 LEU HB3  HB3 A 10 LEU HD11 QD1  6RRO 4 
61  18  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD12 . . . . . . 3.68 1.0 A 10 LEU HB3  HB3 A 10 LEU HD12 QD1  6RRO 4 
62  18  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD13 . . . . . . 3.68 1.0 A 10 LEU HB3  HB3 A 10 LEU HD13 QD1  6RRO 4 
63  19  . . OR 1 1 7  PHE HA   1 1 10 LEU HD11 . . . . . . 4.6  1.0 A 7  PHE HA   HA  A 10 LEU HD11 QD1  6RRO 4 
64  19  . . OR 1 1 7  PHE HA   1 1 10 LEU HD12 . . . . . . 4.6  1.0 A 7  PHE HA   HA  A 10 LEU HD12 QD1  6RRO 4 
65  19  . . OR 1 1 7  PHE HA   1 1 10 LEU HD13 . . . . . . 4.6  1.0 A 7  PHE HA   HA  A 10 LEU HD13 QD1  6RRO 4 
66  20  . . OR 1 1 10 LEU H    1 1 10 LEU HD11 . . . . . . 4.83 1.0 A 10 LEU H    H   A 10 LEU HD11 QD1  6RRO 4 
67  20  . . OR 1 1 10 LEU H    1 1 10 LEU HD12 . . . . . . 4.83 1.0 A 10 LEU H    H   A 10 LEU HD12 QD1  6RRO 4 
68  20  . . OR 1 1 10 LEU H    1 1 10 LEU HD13 . . . . . . 4.83 1.0 A 10 LEU H    H   A 10 LEU HD13 QD1  6RRO 4 
69  21  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD11 . . . . . . 4.17 1.0 A 10 LEU HB2  HB2 A 10 LEU HD11 QD1  6RRO 4 
70  21  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD12 . . . . . . 4.17 1.0 A 10 LEU HB2  HB2 A 10 LEU HD12 QD1  6RRO 4 
71  21  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD13 . . . . . . 4.17 1.0 A 10 LEU HB2  HB2 A 10 LEU HD13 QD1  6RRO 4 
72  22  . . OR 1 1 4  VAL H    1 1 4  VAL HG21 . . . . . . 3.46 1.0 A 4  VAL H    H   A 4  VAL HG21 QG2  6RRO 4 
73  22  . . OR 1 1 4  VAL H    1 1 4  VAL HG22 . . . . . . 3.46 1.0 A 4  VAL H    H   A 4  VAL HG22 QG2  6RRO 4 
74  22  . . OR 1 1 4  VAL H    1 1 4  VAL HG23 . . . . . . 3.46 1.0 A 4  VAL H    H   A 4  VAL HG23 QG2  6RRO 4 
75  23  . . .  1 1 4  VAL H    1 1 4  VAL HB   . . . . . . 3.43 1.0 A 4  VAL H    H   A 4  VAL HB   HB   6RRO 4 
76  24  . . .  1 1 3  ILE HB   1 1 4  VAL H    . . . . . . 3.69 1.0 A 3  ILE HB   HB  A 4  VAL H    H    6RRO 4 
77  25  . . OR 1 1 9  ILE HG21 1 1 9  ILE HG12 . . . . . . 3.54 1.0 A 9  ILE HG21 QG2 A 9  ILE HG12 HG12 6RRO 4 
78  25  . . OR 1 1 9  ILE HG22 1 1 9  ILE HG12 . . . . . . 3.54 1.0 A 9  ILE HG22 QG2 A 9  ILE HG12 HG12 6RRO 4 
79  25  . . OR 1 1 9  ILE HG23 1 1 9  ILE HG12 . . . . . . 3.54 1.0 A 9  ILE HG23 QG2 A 9  ILE HG12 HG12 6RRO 4 
80  26  . . OR 1 1 9  ILE HA   1 1 9  ILE HD11 . . . . . . 4.01 1.0 A 9  ILE HA   HA  A 9  ILE HD11 QD1  6RRO 4 
81  26  . . OR 1 1 9  ILE HA   1 1 9  ILE HD12 . . . . . . 4.01 1.0 A 9  ILE HA   HA  A 9  ILE HD12 QD1  6RRO 4 
82  26  . . OR 1 1 9  ILE HA   1 1 9  ILE HD13 . . . . . . 4.01 1.0 A 9  ILE HA   HA  A 9  ILE HD13 QD1  6RRO 4 
83  27  . . OR 1 1 9  ILE HB   1 1 9  ILE HD11 . . . . . . 3.4  1.0 A 9  ILE HB   HB  A 9  ILE HD11 QD1  6RRO 4 
84  27  . . OR 1 1 9  ILE HB   1 1 9  ILE HD12 . . . . . . 3.4  1.0 A 9  ILE HB   HB  A 9  ILE HD12 QD1  6RRO 4 
85  27  . . OR 1 1 9  ILE HB   1 1 9  ILE HD13 . . . . . . 3.4  1.0 A 9  ILE HB   HB  A 9  ILE HD13 QD1  6RRO 4 
86  28  . . OR 1 1 9  ILE H    1 1 9  ILE HD11 . . . . . . 4.32 1.0 A 9  ILE H    H   A 9  ILE HD11 QD1  6RRO 4 
87  28  . . OR 1 1 9  ILE H    1 1 9  ILE HD12 . . . . . . 4.32 1.0 A 9  ILE H    H   A 9  ILE HD12 QD1  6RRO 4 
88  28  . . OR 1 1 9  ILE H    1 1 9  ILE HD13 . . . . . . 4.32 1.0 A 9  ILE H    H   A 9  ILE HD13 QD1  6RRO 4 
89  29  . . OR 1 1 10 LEU HA   1 1 10 LEU HD21 . . . . . . 3.37 1.0 A 10 LEU HA   HA  A 10 LEU HD21 QD2  6RRO 4 
90  29  . . OR 1 1 10 LEU HA   1 1 10 LEU HD22 . . . . . . 3.37 1.0 A 10 LEU HA   HA  A 10 LEU HD22 QD2  6RRO 4 
91  29  . . OR 1 1 10 LEU HA   1 1 10 LEU HD23 . . . . . . 3.37 1.0 A 10 LEU HA   HA  A 10 LEU HD23 QD2  6RRO 4 
92  30  . . OR 1 1 7  PHE HA   1 1 10 LEU HD21 . . . . . . 3.91 1.0 A 7  PHE HA   HA  A 10 LEU HD21 QD2  6RRO 4 
93  30  . . OR 1 1 7  PHE HA   1 1 10 LEU HD22 . . . . . . 3.91 1.0 A 7  PHE HA   HA  A 10 LEU HD22 QD2  6RRO 4 
94  30  . . OR 1 1 7  PHE HA   1 1 10 LEU HD23 . . . . . . 3.91 1.0 A 7  PHE HA   HA  A 10 LEU HD23 QD2  6RRO 4 
95  31  . . OR 1 1 10 LEU H    1 1 10 LEU HD21 . . . . . . 4.05 1.0 A 10 LEU H    H   A 10 LEU HD21 QD2  6RRO 4 
96  31  . . OR 1 1 10 LEU H    1 1 10 LEU HD22 . . . . . . 4.05 1.0 A 10 LEU H    H   A 10 LEU HD22 QD2  6RRO 4 
97  31  . . OR 1 1 10 LEU H    1 1 10 LEU HD23 . . . . . . 4.05 1.0 A 10 LEU H    H   A 10 LEU HD23 QD2  6RRO 4 
98  32  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD21 . . . . . . 3.35 1.0 A 10 LEU HB2  HB2 A 10 LEU HD21 QD2  6RRO 4 
99  32  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD22 . . . . . . 3.35 1.0 A 10 LEU HB2  HB2 A 10 LEU HD22 QD2  6RRO 4 
100 32  . . OR 1 1 10 LEU HB2  1 1 10 LEU HD23 . . . . . . 3.35 1.0 A 10 LEU HB2  HB2 A 10 LEU HD23 QD2  6RRO 4 
101 33  . . OR 1 1 3  ILE HA   1 1 3  ILE HG13 . . . . . . 4.12 1.0 A 3  ILE HA   HA  A 3  ILE HG13 HG13 6RRO 4 
102 33  . . OR 1 1 3  ILE HA   1 1 3  ILE HG12 . . . . . . 3.86 1.0 A 3  ILE HA   HA  A 3  ILE HG12 HG12 6RRO 4 
103 34  . . OR 1 1 3  ILE HA   1 1 6  ARG HB2  . . . . . . 4.15 1.0 A 3  ILE HA   HA  A 6  ARG HB2  QB   6RRO 4 
104 34  . . OR 1 1 3  ILE HA   1 1 6  ARG HB3  . . . . . . 4.15 1.0 A 3  ILE HA   HA  A 6  ARG HB3  QB   6RRO 4 
105 35  . . OR 1 1 8  LYS HG3  1 1 8  LYS HD2  . . . . . . 2.78 1.0 A 8  LYS HG3  HG3 A 8  LYS HD2  QD   6RRO 4 
106 35  . . OR 1 1 8  LYS HG3  1 1 8  LYS HD3  . . . . . . 2.78 1.0 A 8  LYS HG3  HG3 A 8  LYS HD3  QD   6RRO 4 
107 36  . . OR 1 1 4  VAL HG21 1 1 5  LYS H    . . . . . . 4.37 1.0 A 4  VAL HG21 QG2 A 5  LYS H    H    6RRO 4 
108 36  . . OR 1 1 4  VAL HG22 1 1 5  LYS H    . . . . . . 4.37 1.0 A 4  VAL HG22 QG2 A 5  LYS H    H    6RRO 4 
109 36  . . OR 1 1 4  VAL HG23 1 1 5  LYS H    . . . . . . 4.37 1.0 A 4  VAL HG23 QG2 A 5  LYS H    H    6RRO 4 
110 37  . . .  1 1 4  VAL H    1 1 5  LYS H    . . . . . . 3.53 1.0 A 4  VAL H    H   A 5  LYS H    H    6RRO 4 
111 38  . . OR 1 1 5  LYS H    1 1 5  LYS HD2  . . . . . . 4.61 1.0 A 5  LYS H    H   A 5  LYS HD2  QD   6RRO 4 
112 38  . . OR 1 1 5  LYS H    1 1 5  LYS HD3  . . . . . . 4.61 1.0 A 5  LYS H    H   A 5  LYS HD3  QD   6RRO 4 
113 39  . . .  1 1 4  VAL HB   1 1 5  LYS H    . . . . . . 3.68 1.0 A 4  VAL HB   HB  A 5  LYS H    H    6RRO 4 
114 40  . . .  1 1 5  LYS H    1 1 5  LYS HG2  . . . . . . 4.58 1.0 A 5  LYS H    H   A 5  LYS HG2  HG2  6RRO 4 
115 41  . . .  1 1 5  LYS H    1 1 6  ARG H    . . . . . . 3.66 1.0 A 5  LYS H    H   A 6  ARG H    H    6RRO 4 
116 42  . . .  1 1 5  LYS H    1 1 5  LYS HB3  . . . . . . 3.57 1.0 A 5  LYS H    H   A 5  LYS HB3  HB3  6RRO 4 
117 43  . . .  1 1 2  PHE HA   1 1 5  LYS H    . . . . . . 4.52 1.0 A 2  PHE HA   HA  A 5  LYS H    H    6RRO 4 
118 44  . . .  1 1 5  LYS H    1 1 5  LYS HG3  . . . . . . 4.01 1.0 A 5  LYS H    H   A 5  LYS HG3  HG3  6RRO 4 
119 45  . . .  1 1 5  LYS H    1 1 5  LYS HB2  . . . . . . 3.31 1.0 A 5  LYS H    H   A 5  LYS HB2  HB2  6RRO 4 
120 46  . . OR 1 1 5  LYS HA   1 1 5  LYS HD2  . . . . . . 4.41 1.0 A 5  LYS HA   HA  A 5  LYS HD2  QD   6RRO 4 
121 46  . . OR 1 1 5  LYS HA   1 1 5  LYS HD3  . . . . . . 4.41 1.0 A 5  LYS HA   HA  A 5  LYS HD3  QD   6RRO 4 
122 47  . . OR 1 1 5  LYS HG3  1 1 5  LYS HD2  . . . . . . 2.84 1.0 A 5  LYS HG3  HG3 A 5  LYS HD2  QD   6RRO 4 
123 47  . . OR 1 1 5  LYS HG3  1 1 5  LYS HD3  . . . . . . 2.84 1.0 A 5  LYS HG3  HG3 A 5  LYS HD3  QD   6RRO 4 
124 48  . . OR 1 1 4  VAL HA   1 1 7  PHE HB3  . . . . . . 4.14 1.0 A 4  VAL HA   HA  A 7  PHE HB3  HB3  6RRO 4 
125 48  . . OR 1 1 4  VAL HA   1 1 7  PHE HB2  . . . . . . 3.93 1.0 A 4  VAL HA   HA  A 7  PHE HB2  HB2  6RRO 4 
126 49  . . OR 1 1 9  ILE HA   1 1 9  ILE HG12 . . . . . . 3.73 1.0 A 9  ILE HA   HA  A 9  ILE HG12 HG12 6RRO 4 
127 49  . . OR 1 1 9  ILE HA   1 1 9  ILE HG13 . . . . . . 3.9  1.0 A 9  ILE HA   HA  A 9  ILE HG13 HG13 6RRO 4 
128 50  . . OR 1 1 8  LYS HB3  1 1 8  LYS HD2  . . . . . . 3.66 1.0 A 8  LYS HB3  HB3 A 8  LYS HD2  QD   6RRO 4 
129 50  . . OR 1 1 8  LYS HB3  1 1 8  LYS HD3  . . . . . . 3.66 1.0 A 8  LYS HB3  HB3 A 8  LYS HD3  QD   6RRO 4 
130 51  . . .  1 1 6  ARG H    1 1 6  ARG HG3  . . . . . . 4.32 1.0 A 6  ARG H    H   A 6  ARG HG3  HG3  6RRO 4 
131 52  . . .  1 1 3  ILE HA   1 1 6  ARG H    . . . . . . 4.42 1.0 A 3  ILE HA   HA  A 6  ARG H    H    6RRO 4 
132 53  . . OR 1 1 6  ARG H    1 1 6  ARG HB2  . . . . . . 3.14 1.0 A 6  ARG H    H   A 6  ARG HB2  QB   6RRO 4 
133 53  . . OR 1 1 6  ARG H    1 1 6  ARG HB3  . . . . . . 3.14 1.0 A 6  ARG H    H   A 6  ARG HB3  QB   6RRO 4 
134 54  . . .  1 1 6  ARG H    1 1 6  ARG HG2  . . . . . . 4.02 1.0 A 6  ARG H    H   A 6  ARG HG2  HG2  6RRO 4 
135 55  . . OR 1 1 6  ARG H    1 1 6  ARG HD2  . . . . . . 4.69 1.0 A 6  ARG H    H   A 6  ARG HD2  QD   6RRO 4 
136 55  . . OR 1 1 6  ARG H    1 1 6  ARG HD3  . . . . . . 4.69 1.0 A 6  ARG H    H   A 6  ARG HD3  QD   6RRO 4 
137 56  . . .  1 1 6  ARG H    1 1 6  ARG HE   . . . . . . 5.07 1.0 A 6  ARG H    H   A 6  ARG HE   HE   6RRO 4 
138 57  . . .  1 1 6  ARG H    1 1 7  PHE H    . . . . . . 3.57 1.0 A 6  ARG H    H   A 7  PHE H    H    6RRO 4 
139 58  . . OR 1 1 8  LYS HB3  1 1 8  LYS HE2  . . . . . . 4.88 1.0 A 8  LYS HB3  HB3 A 8  LYS HE2  QE   6RRO 4 
140 58  . . OR 1 1 8  LYS HB3  1 1 8  LYS HE3  . . . . . . 4.88 1.0 A 8  LYS HB3  HB3 A 8  LYS HE3  QE   6RRO 4 
141 58  . . OR 1 1 8  LYS HB2  1 1 8  LYS HE2  . . . . . . 5.26 1.0 A 8  LYS HB2  HB2 A 8  LYS HE2  QE   6RRO 4 
142 58  . . OR 1 1 8  LYS HB2  1 1 8  LYS HE3  . . . . . . 5.26 1.0 A 8  LYS HB2  HB2 A 8  LYS HE3  QE   6RRO 4 
143 59  . . OR 1 1 5  LYS H    1 1 5  LYS HE2  . . . . . . 5.5  1.0 A 5  LYS H    H   A 5  LYS HE2  QE   6RRO 4 
144 59  . . OR 1 1 5  LYS H    1 1 5  LYS HE3  . . . . . . 5.5  1.0 A 5  LYS H    H   A 5  LYS HE3  QE   6RRO 4 
145 60  . . OR 1 1 5  LYS HG2  1 1 5  LYS HE2  . . . . . . 4.24 1.0 A 5  LYS HG2  HG2 A 5  LYS HE2  QE   6RRO 4 
146 60  . . OR 1 1 5  LYS HG2  1 1 5  LYS HE3  . . . . . . 4.24 1.0 A 5  LYS HG2  HG2 A 5  LYS HE3  QE   6RRO 4 
147 60  . . OR 1 1 5  LYS HG3  1 1 5  LYS HE2  . . . . . . 4.24 1.0 A 5  LYS HG3  HG3 A 5  LYS HE2  QE   6RRO 4 
148 60  . . OR 1 1 5  LYS HG3  1 1 5  LYS HE3  . . . . . . 4.24 1.0 A 5  LYS HG3  HG3 A 5  LYS HE3  QE   6RRO 4 
149 61  . . OR 1 1 5  LYS HB2  1 1 5  LYS HE2  . . . . . . 5.25 1.0 A 5  LYS HB2  HB2 A 5  LYS HE2  QE   6RRO 4 
150 61  . . OR 1 1 5  LYS HB2  1 1 5  LYS HE3  . . . . . . 5.25 1.0 A 5  LYS HB2  HB2 A 5  LYS HE3  QE   6RRO 4 
151 62  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD21 . . . . . . 3.46 1.0 A 10 LEU HB3  HB3 A 10 LEU HD21 QD2  6RRO 4 
152 62  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD22 . . . . . . 3.46 1.0 A 10 LEU HB3  HB3 A 10 LEU HD22 QD2  6RRO 4 
153 62  . . OR 1 1 10 LEU HB3  1 1 10 LEU HD23 . . . . . . 3.46 1.0 A 10 LEU HB3  HB3 A 10 LEU HD23 QD2  6RRO 4 
154 63  . . .  1 1 10 LEU HB3  1 1 10 LEU HG   . . . . . . 2.76 1.0 A 10 LEU HB3  HB3 A 10 LEU HG   HG   6RRO 4 
155 64  . . .  1 1 7  PHE HA   1 1 10 LEU HB3  . . . . . . 4.32 1.0 A 7  PHE HA   HA  A 10 LEU HB3  HB3  6RRO 4 
156 65  . . .  1 1 10 LEU HA   1 1 10 LEU HG   . . . . . . 4.21 1.0 A 10 LEU HA   HA  A 10 LEU HG   HG   6RRO 4 
157 66  . . .  1 1 8  LYS HA   1 1 8  LYS HG2  . . . . . . 3.8  1.0 A 8  LYS HA   HA  A 8  LYS HG2  HG2  6RRO 4 
158 67  . . OR 1 1 8  LYS HA   1 1 8  LYS HD2  . . . . . . 4.74 1.0 A 8  LYS HA   HA  A 8  LYS HD2  QD   6RRO 4 
159 67  . . OR 1 1 8  LYS HA   1 1 8  LYS HD3  . . . . . . 4.74 1.0 A 8  LYS HA   HA  A 8  LYS HD3  QD   6RRO 4 
160 68  . . OR 1 1 8  LYS HA   1 1 8  LYS HE2  . . . . . . 5.21 1.0 A 8  LYS HA   HA  A 8  LYS HE2  QE   6RRO 4 
161 68  . . OR 1 1 8  LYS HA   1 1 8  LYS HE3  . . . . . . 5.21 1.0 A 8  LYS HA   HA  A 8  LYS HE3  QE   6RRO 4 
162 69  . . OR 1 1 8  LYS HA   1 1 11 VAL HG11 . . . . . . 3.7  1.0 A 8  LYS HA   HA  A 11 VAL HG11 QG1  6RRO 4 
163 69  . . OR 1 1 8  LYS HA   1 1 11 VAL HG12 . . . . . . 3.7  1.0 A 8  LYS HA   HA  A 11 VAL HG12 QG1  6RRO 4 
164 69  . . OR 1 1 8  LYS HA   1 1 11 VAL HG13 . . . . . . 3.7  1.0 A 8  LYS HA   HA  A 11 VAL HG13 QG1  6RRO 4 
165 70  . . .  1 1 8  LYS HA   1 1 8  LYS HG3  . . . . . . 3.92 1.0 A 8  LYS HA   HA  A 8  LYS HG3  HG3  6RRO 4 
166 71  . . OR 1 1 7  PHE HA   1 1 7  PHE HE1  . . . . . . 5.5  1.0 A 7  PHE HA   HA  A 7  PHE HE1  QE   6RRO 4 
167 71  . . OR 1 1 7  PHE HA   1 1 7  PHE HE2  . . . . . . 5.5  1.0 A 7  PHE HA   HA  A 7  PHE HE2  QE   6RRO 4 
168 72  . . OR 1 1 5  LYS HB3  1 1 5  LYS HD2  . . . . . . 3.63 1.0 A 5  LYS HB3  HB3 A 5  LYS HD2  QD   6RRO 4 
169 72  . . OR 1 1 5  LYS HB3  1 1 5  LYS HD3  . . . . . . 3.63 1.0 A 5  LYS HB3  HB3 A 5  LYS HD3  QD   6RRO 4 
170 73  . . OR 1 1 5  LYS HB3  1 1 5  LYS HE2  . . . . . . 5.19 1.0 A 5  LYS HB3  HB3 A 5  LYS HE2  QE   6RRO 4 
171 73  . . OR 1 1 5  LYS HB3  1 1 5  LYS HE3  . . . . . . 5.19 1.0 A 5  LYS HB3  HB3 A 5  LYS HE3  QE   6RRO 4 
172 74  . . OR 1 1 11 VAL HA   1 1 11 VAL HG21 . . . . . . 3.51 1.0 A 11 VAL HA   HA  A 11 VAL HG21 QG2  6RRO 4 
173 74  . . OR 1 1 11 VAL HA   1 1 11 VAL HG22 . . . . . . 3.51 1.0 A 11 VAL HA   HA  A 11 VAL HG22 QG2  6RRO 4 
174 74  . . OR 1 1 11 VAL HA   1 1 11 VAL HG23 . . . . . . 3.51 1.0 A 11 VAL HA   HA  A 11 VAL HG23 QG2  6RRO 4 
175 75  . . OR 1 1 6  ARG HB2  1 1 6  ARG HD2  . . . . . . 3.93 1.0 A 6  ARG HB2  QB  A 6  ARG HD2  QD   6RRO 4 
176 75  . . OR 1 1 6  ARG HB2  1 1 6  ARG HD3  . . . . . . 3.93 1.0 A 6  ARG HB2  QB  A 6  ARG HD3  QD   6RRO 4 
177 75  . . OR 1 1 6  ARG HB3  1 1 6  ARG HD2  . . . . . . 3.93 1.0 A 6  ARG HB3  QB  A 6  ARG HD2  QD   6RRO 4 
178 75  . . OR 1 1 6  ARG HB3  1 1 6  ARG HD3  . . . . . . 3.93 1.0 A 6  ARG HB3  QB  A 6  ARG HD3  QD   6RRO 4 
179 76  . . OR 1 1 9  ILE HG21 1 1 9  ILE HG13 . . . . . . 3.66 1.0 A 9  ILE HG21 QG2 A 9  ILE HG13 HG13 6RRO 4 
180 76  . . OR 1 1 9  ILE HG22 1 1 9  ILE HG13 . . . . . . 3.66 1.0 A 9  ILE HG22 QG2 A 9  ILE HG13 HG13 6RRO 4 
181 76  . . OR 1 1 9  ILE HG23 1 1 9  ILE HG13 . . . . . . 3.66 1.0 A 9  ILE HG23 QG2 A 9  ILE HG13 HG13 6RRO 4 
182 77  . . .  1 1 6  ARG HA   1 1 9  ILE H    . . . . . . 4.36 1.0 A 6  ARG HA   HA  A 9  ILE H    H    6RRO 4 
183 78  . . .  1 1 9  ILE H    1 1 9  ILE HG12 . . . . . . 3.95 1.0 A 9  ILE H    H   A 9  ILE HG12 HG12 6RRO 4 
184 79  . . .  1 1 9  ILE H    1 1 9  ILE HB   . . . . . . 3.19 1.0 A 9  ILE H    H   A 9  ILE HB   HB   6RRO 4 
185 80  . . .  1 1 9  ILE H    1 1 9  ILE HG13 . . . . . . 3.53 1.0 A 9  ILE H    H   A 9  ILE HG13 HG13 6RRO 4 
186 81  . . OR 1 1 9  ILE HG21 1 1 10 LEU H    . . . . . . 3.91 1.0 A 9  ILE HG21 QG2 A 10 LEU H    H    6RRO 4 
187 81  . . OR 1 1 9  ILE HG22 1 1 10 LEU H    . . . . . . 3.91 1.0 A 9  ILE HG22 QG2 A 10 LEU H    H    6RRO 4 
188 81  . . OR 1 1 9  ILE HG23 1 1 10 LEU H    . . . . . . 3.91 1.0 A 9  ILE HG23 QG2 A 10 LEU H    H    6RRO 4 
189 82  . . .  1 1 9  ILE HB   1 1 10 LEU H    . . . . . . 3.64 1.0 A 9  ILE HB   HB  A 10 LEU H    H    6RRO 4 
190 83  . . .  1 1 10 LEU H    1 1 10 LEU HB3  . . . . . . 3.61 1.0 A 10 LEU H    H   A 10 LEU HB3  HB3  6RRO 4 
191 84  . . .  1 1 10 LEU H    1 1 10 LEU HG   . . . . . . 3.71 1.0 A 10 LEU H    H   A 10 LEU HG   HG   6RRO 4 
192 85  . . .  1 1 7  PHE HA   1 1 10 LEU H    . . . . . . 4.26 1.0 A 7  PHE HA   HA  A 10 LEU H    H    6RRO 4 
193 86  . . .  1 1 9  ILE H    1 1 10 LEU H    . . . . . . 3.45 1.0 A 9  ILE H    H   A 10 LEU H    H    6RRO 4 
194 87  . . .  1 1 10 LEU H    1 1 10 LEU HB2  . . . . . . 3.34 1.0 A 10 LEU H    H   A 10 LEU HB2  HB2  6RRO 4 
195 88  . . OR 1 1 2  PHE HD1  1 1 3  ILE HA   . . . . . . 4.86 1.0 A 2  PHE HD1  QD  A 3  ILE HA   HA   6RRO 4 
196 88  . . OR 1 1 2  PHE HD2  1 1 3  ILE HA   . . . . . . 4.86 1.0 A 2  PHE HD2  QD  A 3  ILE HA   HA   6RRO 4 
197 89  . . OR 1 1 2  PHE HA   1 1 2  PHE HD1  . . . . . . 4.43 1.0 A 2  PHE HA   HA  A 2  PHE HD1  QD   6RRO 4 
198 89  . . OR 1 1 2  PHE HA   1 1 2  PHE HD2  . . . . . . 4.43 1.0 A 2  PHE HA   HA  A 2  PHE HD2  QD   6RRO 4 
199 90  . . OR 1 1 8  LYS HB2  1 1 8  LYS HD2  . . . . . . 4.16 1.0 A 8  LYS HB2  HB2 A 8  LYS HD2  QD   6RRO 4 
200 90  . . OR 1 1 8  LYS HB2  1 1 8  LYS HD3  . . . . . . 4.16 1.0 A 8  LYS HB2  HB2 A 8  LYS HD3  QD   6RRO 4 
201 91  . . OR 1 1 4  VAL H    1 1 4  VAL HG11 . . . . . . 3.97 1.0 A 4  VAL H    H   A 4  VAL HG11 QG1  6RRO 4 
202 91  . . OR 1 1 4  VAL H    1 1 4  VAL HG12 . . . . . . 3.97 1.0 A 4  VAL H    H   A 4  VAL HG12 QG1  6RRO 4 
203 91  . . OR 1 1 4  VAL H    1 1 4  VAL HG13 . . . . . . 3.97 1.0 A 4  VAL H    H   A 4  VAL HG13 QG1  6RRO 4 
204 92  . . OR 1 1 4  VAL HG11 1 1 5  LYS H    . . . . . . 4.08 1.0 A 4  VAL HG11 QG1 A 5  LYS H    H    6RRO 4 
205 92  . . OR 1 1 4  VAL HG12 1 1 5  LYS H    . . . . . . 4.08 1.0 A 4  VAL HG12 QG1 A 5  LYS H    H    6RRO 4 
206 92  . . OR 1 1 4  VAL HG13 1 1 5  LYS H    . . . . . . 4.08 1.0 A 4  VAL HG13 QG1 A 5  LYS H    H    6RRO 4 
207 93  . . OR 1 1 4  VAL HA   1 1 4  VAL HG11 . . . . . . 3.28 1.0 A 4  VAL HA   HA  A 4  VAL HG11 QG1  6RRO 4 
208 93  . . OR 1 1 4  VAL HA   1 1 4  VAL HG12 . . . . . . 3.28 1.0 A 4  VAL HA   HA  A 4  VAL HG12 QG1  6RRO 4 
209 93  . . OR 1 1 4  VAL HA   1 1 4  VAL HG13 . . . . . . 3.28 1.0 A 4  VAL HA   HA  A 4  VAL HG13 QG1  6RRO 4 
210 94  . . OR 1 1 4  VAL HG11 1 1 8  LYS HE2  . . . . . . 3.9  1.0 A 4  VAL HG11 QG1 A 8  LYS HE2  QE   6RRO 4 
211 94  . . OR 1 1 4  VAL HG11 1 1 8  LYS HE3  . . . . . . 3.9  1.0 A 4  VAL HG11 QG1 A 8  LYS HE3  QE   6RRO 4 
212 94  . . OR 1 1 4  VAL HG12 1 1 8  LYS HE2  . . . . . . 3.9  1.0 A 4  VAL HG12 QG1 A 8  LYS HE2  QE   6RRO 4 
213 94  . . OR 1 1 4  VAL HG12 1 1 8  LYS HE3  . . . . . . 3.9  1.0 A 4  VAL HG12 QG1 A 8  LYS HE3  QE   6RRO 4 
214 94  . . OR 1 1 4  VAL HG13 1 1 8  LYS HE2  . . . . . . 3.9  1.0 A 4  VAL HG13 QG1 A 8  LYS HE2  QE   6RRO 4 
215 94  . . OR 1 1 4  VAL HG13 1 1 8  LYS HE3  . . . . . . 3.9  1.0 A 4  VAL HG13 QG1 A 8  LYS HE3  QE   6RRO 4 
216 95  . . OR 1 1 4  VAL HG11 1 1 5  LYS HA   . . . . . . 4.05 1.0 A 4  VAL HG11 QG1 A 5  LYS HA   HA   6RRO 4 
217 95  . . OR 1 1 4  VAL HG12 1 1 5  LYS HA   . . . . . . 4.05 1.0 A 4  VAL HG12 QG1 A 5  LYS HA   HA   6RRO 4 
218 95  . . OR 1 1 4  VAL HG13 1 1 5  LYS HA   . . . . . . 4.05 1.0 A 4  VAL HG13 QG1 A 5  LYS HA   HA   6RRO 4 
219 96  . . OR 1 1 5  LYS HA   1 1 5  LYS HE2  . . . . . . 5.29 1.0 A 5  LYS HA   HA  A 5  LYS HE2  QE   6RRO 4 
220 96  . . OR 1 1 5  LYS HA   1 1 5  LYS HE3  . . . . . . 5.29 1.0 A 5  LYS HA   HA  A 5  LYS HE3  QE   6RRO 4 
221 97  . . .  1 1 6  ARG HA   1 1 6  ARG HE   . . . . . . 4.61 1.0 A 6  ARG HA   HA  A 6  ARG HE   HE   6RRO 4 
222 98  . . OR 1 1 6  ARG HB2  1 1 6  ARG HE   . . . . . . 3.96 1.0 A 6  ARG HB2  QB  A 6  ARG HE   HE   6RRO 4 
223 98  . . OR 1 1 6  ARG HB3  1 1 6  ARG HE   . . . . . . 3.96 1.0 A 6  ARG HB3  QB  A 6  ARG HE   HE   6RRO 4 
224 99  . . OR 1 1 2  PHE HA   1 1 2  PHE HE1  . . . . . . 5.5  1.0 A 2  PHE HA   HA  A 2  PHE HE1  QE   6RRO 4 
225 99  . . OR 1 1 2  PHE HA   1 1 2  PHE HE2  . . . . . . 5.5  1.0 A 2  PHE HA   HA  A 2  PHE HE2  QE   6RRO 4 
226 100 . . .  1 1 10 LEU HB2  1 1 10 LEU HG   . . . . . . 2.79 1.0 A 10 LEU HB2  HB2 A 10 LEU HG   HG   6RRO 4 
227 101 . . .  1 1 7  PHE HA   1 1 10 LEU HB2  . . . . . . 4.23 1.0 A 7  PHE HA   HA  A 10 LEU HB2  HB2  6RRO 4 
228 102 . . OR 1 1 11 VAL HA   1 1 11 VAL HG11 . . . . . . 3.46 1.0 A 11 VAL HA   HA  A 11 VAL HG11 QG1  6RRO 4 
229 102 . . OR 1 1 11 VAL HA   1 1 11 VAL HG12 . . . . . . 3.46 1.0 A 11 VAL HA   HA  A 11 VAL HG12 QG1  6RRO 4 
230 102 . . OR 1 1 11 VAL HA   1 1 11 VAL HG13 . . . . . . 3.46 1.0 A 11 VAL HA   HA  A 11 VAL HG13 QG1  6RRO 4 
231 103 . . OR 1 1 11 VAL H    1 1 11 VAL HG11 . . . . . . 3.5  1.0 A 11 VAL H    H   A 11 VAL HG11 QG1  6RRO 4 
232 103 . . OR 1 1 11 VAL H    1 1 11 VAL HG12 . . . . . . 3.5  1.0 A 11 VAL H    H   A 11 VAL HG12 QG1  6RRO 4 
233 103 . . OR 1 1 11 VAL H    1 1 11 VAL HG13 . . . . . . 3.5  1.0 A 11 VAL H    H   A 11 VAL HG13 QG1  6RRO 4 
234 104 . . .  1 1 8  LYS H    1 1 8  LYS HG2  . . . . . . 4.22 1.0 A 8  LYS H    H   A 8  LYS HG2  HG2  6RRO 4 
235 105 . . OR 1 1 8  LYS H    1 1 8  LYS HD2  . . . . . . 4.21 1.0 A 8  LYS H    H   A 8  LYS HD2  QD   6RRO 4 
236 105 . . OR 1 1 8  LYS H    1 1 8  LYS HD3  . . . . . . 4.21 1.0 A 8  LYS H    H   A 8  LYS HD3  QD   6RRO 4 
237 106 . . .  1 1 7  PHE HB3  1 1 8  LYS H    . . . . . . 3.84 1.0 A 7  PHE HB3  HB3 A 8  LYS H    H    6RRO 4 
238 107 . . .  1 1 8  LYS H    1 1 8  LYS HB3  . . . . . . 3.55 1.0 A 8  LYS H    H   A 8  LYS HB3  HB3  6RRO 4 
239 108 . . OR 1 1 8  LYS H    1 1 8  LYS HE2  . . . . . . 5.5  1.0 A 8  LYS H    H   A 8  LYS HE2  QE   6RRO 4 
240 108 . . OR 1 1 8  LYS H    1 1 8  LYS HE3  . . . . . . 5.5  1.0 A 8  LYS H    H   A 8  LYS HE3  QE   6RRO 4 
241 109 . . .  1 1 8  LYS H    1 1 9  ILE H    . . . . . . 3.59 1.0 A 8  LYS H    H   A 9  ILE H    H    6RRO 4 
242 110 . . .  1 1 8  LYS H    1 1 8  LYS HB2  . . . . . . 3.3  1.0 A 8  LYS H    H   A 8  LYS HB2  HB2  6RRO 4 
243 111 . . .  1 1 5  LYS HA   1 1 8  LYS H    . . . . . . 4.15 1.0 A 5  LYS HA   HA  A 8  LYS H    H    6RRO 4 
244 112 . . .  1 1 8  LYS H    1 1 8  LYS HG3  . . . . . . 3.6  1.0 A 8  LYS H    H   A 8  LYS HG3  HG3  6RRO 4 
245 113 . . .  1 1 7  PHE HB2  1 1 8  LYS H    . . . . . . 3.57 1.0 A 7  PHE HB2  HB2 A 8  LYS H    H    6RRO 4 
246 114 . . OR 1 1 3  ILE HD11 1 1 4  VAL H    . . . . . . 4.35 1.0 A 3  ILE HD11 QD1 A 4  VAL H    H    6RRO 4 
247 114 . . OR 1 1 3  ILE HD12 1 1 4  VAL H    . . . . . . 4.35 1.0 A 3  ILE HD12 QD1 A 4  VAL H    H    6RRO 4 
248 114 . . OR 1 1 3  ILE HD13 1 1 4  VAL H    . . . . . . 4.35 1.0 A 3  ILE HD13 QD1 A 4  VAL H    H    6RRO 4 
249 115 . . OR 1 1 3  ILE HA   1 1 3  ILE HD11 . . . . . . 3.75 1.0 A 3  ILE HA   HA  A 3  ILE HD11 QD1  6RRO 4 
250 115 . . OR 1 1 3  ILE HA   1 1 3  ILE HD12 . . . . . . 3.75 1.0 A 3  ILE HA   HA  A 3  ILE HD12 QD1  6RRO 4 
251 115 . . OR 1 1 3  ILE HA   1 1 3  ILE HD13 . . . . . . 3.75 1.0 A 3  ILE HA   HA  A 3  ILE HD13 QD1  6RRO 4 
252 116 . . OR 1 1 3  ILE HB   1 1 3  ILE HD11 . . . . . . 3.82 1.0 A 3  ILE HB   HB  A 3  ILE HD11 QD1  6RRO 4 
253 116 . . OR 1 1 3  ILE HB   1 1 3  ILE HD12 . . . . . . 3.82 1.0 A 3  ILE HB   HB  A 3  ILE HD12 QD1  6RRO 4 
254 116 . . OR 1 1 3  ILE HB   1 1 3  ILE HD13 . . . . . . 3.82 1.0 A 3  ILE HB   HB  A 3  ILE HD13 QD1  6RRO 4 
255 117 . . OR 1 1 3  ILE H    1 1 3  ILE HD11 . . . . . . 4.32 1.0 A 3  ILE H    H   A 3  ILE HD11 QD1  6RRO 4 
256 117 . . OR 1 1 3  ILE H    1 1 3  ILE HD12 . . . . . . 4.32 1.0 A 3  ILE H    H   A 3  ILE HD12 QD1  6RRO 4 
257 117 . . OR 1 1 3  ILE H    1 1 3  ILE HD13 . . . . . . 4.32 1.0 A 3  ILE H    H   A 3  ILE HD13 QD1  6RRO 4 
258 118 . . OR 1 1 7  PHE HD1  1 1 10 LEU HD21 . . . . . . 3.73 1.0 A 7  PHE HD1  QD  A 10 LEU HD21 QD2  6RRO 4 
259 118 . . OR 1 1 7  PHE HD1  1 1 10 LEU HD22 . . . . . . 3.73 1.0 A 7  PHE HD1  QD  A 10 LEU HD22 QD2  6RRO 4 
260 118 . . OR 1 1 7  PHE HD1  1 1 10 LEU HD23 . . . . . . 3.73 1.0 A 7  PHE HD1  QD  A 10 LEU HD23 QD2  6RRO 4 
261 118 . . OR 1 1 7  PHE HD2  1 1 10 LEU HD21 . . . . . . 3.73 1.0 A 7  PHE HD2  QD  A 10 LEU HD21 QD2  6RRO 4 
262 118 . . OR 1 1 7  PHE HD2  1 1 10 LEU HD22 . . . . . . 3.73 1.0 A 7  PHE HD2  QD  A 10 LEU HD22 QD2  6RRO 4 
263 118 . . OR 1 1 7  PHE HD2  1 1 10 LEU HD23 . . . . . . 3.73 1.0 A 7  PHE HD2  QD  A 10 LEU HD23 QD2  6RRO 4 
264 119 . . OR 1 1 7  PHE HA   1 1 7  PHE HD1  . . . . . . 3.29 1.0 A 7  PHE HA   HA  A 7  PHE HD1  QD   6RRO 4 
265 119 . . OR 1 1 7  PHE HA   1 1 7  PHE HD2  . . . . . . 3.29 1.0 A 7  PHE HA   HA  A 7  PHE HD2  QD   6RRO 4 
266 120 . . OR 1 1 7  PHE HD1  1 1 11 VAL HG11 . . . . . . 3.42 1.0 A 7  PHE HD1  QD  A 11 VAL HG11 QG1  6RRO 4 
267 120 . . OR 1 1 7  PHE HD1  1 1 11 VAL HG12 . . . . . . 3.42 1.0 A 7  PHE HD1  QD  A 11 VAL HG12 QG1  6RRO 4 
268 120 . . OR 1 1 7  PHE HD1  1 1 11 VAL HG13 . . . . . . 3.42 1.0 A 7  PHE HD1  QD  A 11 VAL HG13 QG1  6RRO 4 
269 120 . . OR 1 1 7  PHE HD2  1 1 11 VAL HG11 . . . . . . 3.42 1.0 A 7  PHE HD2  QD  A 11 VAL HG11 QG1  6RRO 4 
270 120 . . OR 1 1 7  PHE HD2  1 1 11 VAL HG12 . . . . . . 3.42 1.0 A 7  PHE HD2  QD  A 11 VAL HG12 QG1  6RRO 4 
271 120 . . OR 1 1 7  PHE HD2  1 1 11 VAL HG13 . . . . . . 3.42 1.0 A 7  PHE HD2  QD  A 11 VAL HG13 QG1  6RRO 4 
272 121 . . OR 1 1 7  PHE H    1 1 7  PHE HD1  . . . . . . 3.81 1.0 A 7  PHE H    H   A 7  PHE HD1  QD   6RRO 4 
273 121 . . OR 1 1 7  PHE H    1 1 7  PHE HD2  . . . . . . 3.81 1.0 A 7  PHE H    H   A 7  PHE HD2  QD   6RRO 4 
274 122 . . .  1 1 4  VAL HA   1 1 7  PHE H    . . . . . . 4.28 1.0 A 4  VAL HA   HA  A 7  PHE H    H    6RRO 4 
275 123 . . .  1 1 7  PHE H    1 1 7  PHE HB3  . . . . . . 3.32 1.0 A 7  PHE H    H   A 7  PHE HB3  HB3  6RRO 4 
276 124 . . OR 1 1 7  PHE H    1 1 7  PHE HE1  . . . . . . 5.5  1.0 A 7  PHE H    H   A 7  PHE HE1  QE   6RRO 4 
277 124 . . OR 1 1 7  PHE H    1 1 7  PHE HE2  . . . . . . 5.5  1.0 A 7  PHE H    H   A 7  PHE HE2  QE   6RRO 4 
278 125 . . .  1 1 7  PHE H    1 1 7  PHE HB2  . . . . . . 3.51 1.0 A 7  PHE H    H   A 7  PHE HB2  HB2  6RRO 4 
279 126 . . OR 1 1 5  LYS HB2  1 1 5  LYS HD2  . . . . . . 3.74 1.0 A 5  LYS HB2  HB2 A 5  LYS HD2  QD   6RRO 4 
280 126 . . OR 1 1 5  LYS HB2  1 1 5  LYS HD3  . . . . . . 3.74 1.0 A 5  LYS HB2  HB2 A 5  LYS HD3  QD   6RRO 4 
281 127 . . OR 1 1 10 LEU HD21 1 1 11 VAL H    . . . . . . 4.48 1.0 A 10 LEU HD21 QD2 A 11 VAL H    H    6RRO 4 
282 127 . . OR 1 1 10 LEU HD22 1 1 11 VAL H    . . . . . . 4.48 1.0 A 10 LEU HD22 QD2 A 11 VAL H    H    6RRO 4 
283 127 . . OR 1 1 10 LEU HD23 1 1 11 VAL H    . . . . . . 4.48 1.0 A 10 LEU HD23 QD2 A 11 VAL H    H    6RRO 4 
284 128 . . .  1 1 10 LEU HB3  1 1 11 VAL H    . . . . . . 4.18 1.0 A 10 LEU HB3  HB3 A 11 VAL H    H    6RRO 4 
285 129 . . .  1 1 11 VAL H    1 1 11 VAL HB   . . . . . . 4.05 1.0 A 11 VAL H    H   A 11 VAL HB   HB   6RRO 4 
286 130 . . OR 1 1 11 VAL H    1 1 11 VAL HG21 . . . . . . 3.48 1.0 A 11 VAL H    H   A 11 VAL HG21 QG2  6RRO 4 
287 130 . . OR 1 1 11 VAL H    1 1 11 VAL HG22 . . . . . . 3.48 1.0 A 11 VAL H    H   A 11 VAL HG22 QG2  6RRO 4 
288 130 . . OR 1 1 11 VAL H    1 1 11 VAL HG23 . . . . . . 3.48 1.0 A 11 VAL H    H   A 11 VAL HG23 QG2  6RRO 4 
289 131 . . .  1 1 10 LEU H    1 1 11 VAL H    . . . . . . 3.76 1.0 A 10 LEU H    H   A 11 VAL H    H    6RRO 4 
290 132 . . .  1 1 10 LEU HB2  1 1 11 VAL H    . . . . . . 4.23 1.0 A 10 LEU HB2  HB2 A 11 VAL H    H    6RRO 4 
291 133 . . OR 1 1 3  ILE H    1 1 3  ILE HG13 . . . . . . 3.61 1.0 A 3  ILE H    H   A 3  ILE HG13 HG13 6RRO 4 
292 133 . . OR 1 1 3  ILE H    1 1 3  ILE HG12 . . . . . . 3.92 1.0 A 3  ILE H    H   A 3  ILE HG12 HG12 6RRO 4 
293 134 . . .  1 1 2  PHE HB3  1 1 3  ILE H    . . . . . . 4.23 1.0 A 2  PHE HB3  HB3 A 3  ILE H    H    6RRO 4 
294 135 . . .  1 1 3  ILE H    1 1 4  VAL H    . . . . . . 3.7  1.0 A 3  ILE H    H   A 4  VAL H    H    6RRO 4 
295 136 . . .  1 1 3  ILE H    1 1 3  ILE HB   . . . . . . 3.25 1.0 A 3  ILE H    H   A 3  ILE HB   HB   6RRO 4 
296 137 . . .  1 1 2  PHE HB2  1 1 3  ILE H    . . . . . . 4.68 1.0 A 2  PHE HB2  HB2 A 3  ILE H    H    6RRO 4 
297 138 . . OR 1 1 8  LYS HG3  1 1 8  LYS HE2  . . . . . . 3.72 1.0 A 8  LYS HG3  HG3 A 8  LYS HE2  QE   6RRO 4 
298 138 . . OR 1 1 8  LYS HG3  1 1 8  LYS HE3  . . . . . . 3.72 1.0 A 8  LYS HG3  HG3 A 8  LYS HE3  QE   6RRO 4 
299 139 . . .  1 1 5  LYS HA   1 1 8  LYS HG3  . . . . . . 4.33 1.0 A 5  LYS HA   HA  A 8  LYS HG3  HG3  6RRO 4 
stop_
save_
save_CYANA_dihedral_angle_restraints_1
# 
_Torsion_angle_constraint_list.Sf_category          torsion_angle_constraints 
_Torsion_angle_constraint_list.Sf_framecode         CYANA_dihedral_angle_restraints_1 
_Torsion_angle_constraint_list.Entry_ID             6RRO 
_Torsion_angle_constraint_list.ID                   1 
_Torsion_angle_constraint_list.Data_file_name       chi.aco 
_Torsion_angle_constraint_list.Constraint_file_ID   4 
_Torsion_angle_constraint_list.Potential_type       square-well-parabolic 
_Torsion_angle_constraint_list.Constraint_type      'backbone chemical shifts' 
_Torsion_angle_constraint_list.Block_ID             5 
# 
loop_
_Torsion_angle_constraint.Index_ID 
_Torsion_angle_constraint.ID 
_Torsion_angle_constraint.Combination_ID 
_Torsion_angle_constraint.Torsion_angle_name 
_Torsion_angle_constraint.Entity_assembly_ID_1 
_Torsion_angle_constraint.Entity_ID_1 
_Torsion_angle_constraint.Comp_index_ID_1 
_Torsion_angle_constraint.Comp_ID_1 
_Torsion_angle_constraint.Atom_ID_1 
_Torsion_angle_constraint.Entity_assembly_ID_2 
_Torsion_angle_constraint.Entity_ID_2 
_Torsion_angle_constraint.Comp_index_ID_2 
_Torsion_angle_constraint.Comp_ID_2 
_Torsion_angle_constraint.Atom_ID_2 
_Torsion_angle_constraint.Entity_assembly_ID_3 
_Torsion_angle_constraint.Entity_ID_3 
_Torsion_angle_constraint.Comp_index_ID_3 
_Torsion_angle_constraint.Comp_ID_3 
_Torsion_angle_constraint.Atom_ID_3 
_Torsion_angle_constraint.Entity_assembly_ID_4 
_Torsion_angle_constraint.Entity_ID_4 
_Torsion_angle_constraint.Comp_index_ID_4 
_Torsion_angle_constraint.Comp_ID_4 
_Torsion_angle_constraint.Atom_ID_4 
_Torsion_angle_constraint.Angle_lower_bound_val 
_Torsion_angle_constraint.Angle_upper_bound_val 
_Torsion_angle_constraint.Angle_target_val 
_Torsion_angle_constraint.Angle_target_val_err 
_Torsion_angle_constraint.Angle_lower_linear_limit 
_Torsion_angle_constraint.Angle_upper_linear_limit 
_Torsion_angle_constraint.Weight 
_Torsion_angle_constraint.Auth_asym_ID_1 
_Torsion_angle_constraint.Auth_seq_ID_1 
_Torsion_angle_constraint.Auth_comp_ID_1 
_Torsion_angle_constraint.Auth_atom_ID_1 
_Torsion_angle_constraint.Auth_atom_name_1 
_Torsion_angle_constraint.Auth_asym_ID_2 
_Torsion_angle_constraint.Auth_seq_ID_2 
_Torsion_angle_constraint.Auth_comp_ID_2 
_Torsion_angle_constraint.Auth_atom_ID_2 
_Torsion_angle_constraint.Auth_atom_name_2 
_Torsion_angle_constraint.Auth_asym_ID_3 
_Torsion_angle_constraint.Auth_seq_ID_3 
_Torsion_angle_constraint.Auth_comp_ID_3 
_Torsion_angle_constraint.Auth_atom_ID_3 
_Torsion_angle_constraint.Auth_atom_name_3 
_Torsion_angle_constraint.Auth_asym_ID_4 
_Torsion_angle_constraint.Auth_seq_ID_4 
_Torsion_angle_constraint.Auth_comp_ID_4 
_Torsion_angle_constraint.Auth_atom_ID_4 
_Torsion_angle_constraint.Auth_atom_name_4 
_Torsion_angle_constraint.Entry_ID 
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID 
1 1 . CHI1  1 1 3 ILE N  1 1 3 ILE CA 1 1 3 ILE CB  1 1 3 ILE CG1 -90.0 -30.0 . . . . 1.0 A 3 ILE N  . A 3 ILE CA . A 3 ILE CB  . A 3 ILE CG1 . 6RRO 1 
2 2 . CHI1  1 1 4 VAL N  1 1 4 VAL CA 1 1 4 VAL CB  1 1 4 VAL CG1 150.0 210.0 . . . . 1.0 A 4 VAL N  . A 4 VAL CA . A 4 VAL CB  . A 4 VAL CG1 . 6RRO 1 
3 3 . CHI1  1 1 7 PHE N  1 1 7 PHE CA 1 1 7 PHE CB  1 1 7 PHE CG  150.0 210.0 . . . . 1.0 A 7 PHE N  . A 7 PHE CA . A 7 PHE CB  . A 7 PHE CG  . 6RRO 1 
4 4 . CHI1  1 1 9 ILE N  1 1 9 ILE CA 1 1 9 ILE CB  1 1 9 ILE CG1 -90.0 -30.0 . . . . 1.0 A 9 ILE N  . A 9 ILE CA . A 9 ILE CB  . A 9 ILE CG1 . 6RRO 1 
5 5 . CHI21 1 1 9 ILE CA 1 1 9 ILE CB 1 1 9 ILE CG1 1 1 9 ILE CD1 150.0 210.0 . . . . 1.0 A 9 ILE CA . A 9 ILE CB . A 9 ILE CG1 . A 9 ILE CD1 . 6RRO 1 
stop_
save_
save_CYANA_dihedral_angle_restraints_2
# 
_Torsion_angle_constraint_list.Sf_category          torsion_angle_constraints 
_Torsion_angle_constraint_list.Sf_framecode         CYANA_dihedral_angle_restraints_2 
_Torsion_angle_constraint_list.Entry_ID             6RRO 
_Torsion_angle_constraint_list.ID                   2 
_Torsion_angle_constraint_list.Data_file_name       pep536_2_talos.aco 
_Torsion_angle_constraint_list.Constraint_file_ID   5 
_Torsion_angle_constraint_list.Potential_type       square-well-parabolic 
_Torsion_angle_constraint_list.Constraint_type      'backbone chemical shifts' 
_Torsion_angle_constraint_list.Block_ID             6 
# 
loop_
_Torsion_angle_constraint.Index_ID 
_Torsion_angle_constraint.ID 
_Torsion_angle_constraint.Combination_ID 
_Torsion_angle_constraint.Torsion_angle_name 
_Torsion_angle_constraint.Entity_assembly_ID_1 
_Torsion_angle_constraint.Entity_ID_1 
_Torsion_angle_constraint.Comp_index_ID_1 
_Torsion_angle_constraint.Comp_ID_1 
_Torsion_angle_constraint.Atom_ID_1 
_Torsion_angle_constraint.Entity_assembly_ID_2 
_Torsion_angle_constraint.Entity_ID_2 
_Torsion_angle_constraint.Comp_index_ID_2 
_Torsion_angle_constraint.Comp_ID_2 
_Torsion_angle_constraint.Atom_ID_2 
_Torsion_angle_constraint.Entity_assembly_ID_3 
_Torsion_angle_constraint.Entity_ID_3 
_Torsion_angle_constraint.Comp_index_ID_3 
_Torsion_angle_constraint.Comp_ID_3 
_Torsion_angle_constraint.Atom_ID_3 
_Torsion_angle_constraint.Entity_assembly_ID_4 
_Torsion_angle_constraint.Entity_ID_4 
_Torsion_angle_constraint.Comp_index_ID_4 
_Torsion_angle_constraint.Comp_ID_4 
_Torsion_angle_constraint.Atom_ID_4 
_Torsion_angle_constraint.Angle_lower_bound_val 
_Torsion_angle_constraint.Angle_upper_bound_val 
_Torsion_angle_constraint.Angle_target_val 
_Torsion_angle_constraint.Angle_target_val_err 
_Torsion_angle_constraint.Angle_lower_linear_limit 
_Torsion_angle_constraint.Angle_upper_linear_limit 
_Torsion_angle_constraint.Weight 
_Torsion_angle_constraint.Auth_asym_ID_1 
_Torsion_angle_constraint.Auth_seq_ID_1 
_Torsion_angle_constraint.Auth_comp_ID_1 
_Torsion_angle_constraint.Auth_atom_ID_1 
_Torsion_angle_constraint.Auth_atom_name_1 
_Torsion_angle_constraint.Auth_asym_ID_2 
_Torsion_angle_constraint.Auth_seq_ID_2 
_Torsion_angle_constraint.Auth_comp_ID_2 
_Torsion_angle_constraint.Auth_atom_ID_2 
_Torsion_angle_constraint.Auth_atom_name_2 
_Torsion_angle_constraint.Auth_asym_ID_3 
_Torsion_angle_constraint.Auth_seq_ID_3 
_Torsion_angle_constraint.Auth_comp_ID_3 
_Torsion_angle_constraint.Auth_atom_ID_3 
_Torsion_angle_constraint.Auth_atom_name_3 
_Torsion_angle_constraint.Auth_asym_ID_4 
_Torsion_angle_constraint.Auth_seq_ID_4 
_Torsion_angle_constraint.Auth_comp_ID_4 
_Torsion_angle_constraint.Auth_atom_ID_4 
_Torsion_angle_constraint.Auth_atom_name_4 
_Torsion_angle_constraint.Entry_ID 
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID 
1  1  . PHI 1 1 2  PHE C 1 1 3  ILE N  1 1 3  ILE CA 1 1 3  ILE C -84.9 -44.9 . . . . 1.0 A 2  PHE C . A 3  ILE N  . A 3  ILE CA . A 3  ILE C . 6RRO 2 
2  2  . PSI 1 1 3  ILE N 1 1 3  ILE CA 1 1 3  ILE C  1 1 4  VAL N -59.6 -19.6 . . . . 1.0 A 3  ILE N . A 3  ILE CA . A 3  ILE C  . A 4  VAL N . 6RRO 2 
3  3  . PHI 1 1 3  ILE C 1 1 4  VAL N  1 1 4  VAL CA 1 1 4  VAL C -86.3 -46.3 . . . . 1.0 A 3  ILE C . A 4  VAL N  . A 4  VAL CA . A 4  VAL C . 6RRO 2 
4  4  . PSI 1 1 4  VAL N 1 1 4  VAL CA 1 1 4  VAL C  1 1 5  LYS N -58.9 -18.9 . . . . 1.0 A 4  VAL N . A 4  VAL CA . A 4  VAL C  . A 5  LYS N . 6RRO 2 
5  5  . PHI 1 1 4  VAL C 1 1 5  LYS N  1 1 5  LYS CA 1 1 5  LYS C -84.7 -44.7 . . . . 1.0 A 4  VAL C . A 5  LYS N  . A 5  LYS CA . A 5  LYS C . 6RRO 2 
6  6  . PSI 1 1 5  LYS N 1 1 5  LYS CA 1 1 5  LYS C  1 1 6  ARG N -60.1 -20.1 . . . . 1.0 A 5  LYS N . A 5  LYS CA . A 5  LYS C  . A 6  ARG N . 6RRO 2 
7  7  . PHI 1 1 5  LYS C 1 1 6  ARG N  1 1 6  ARG CA 1 1 6  ARG C -86.2 -46.2 . . . . 1.0 A 5  LYS C . A 6  ARG N  . A 6  ARG CA . A 6  ARG C . 6RRO 2 
8  8  . PSI 1 1 6  ARG N 1 1 6  ARG CA 1 1 6  ARG C  1 1 7  PHE N -59.4 -19.4 . . . . 1.0 A 6  ARG N . A 6  ARG CA . A 6  ARG C  . A 7  PHE N . 6RRO 2 
9  9  . PHI 1 1 6  ARG C 1 1 7  PHE N  1 1 7  PHE CA 1 1 7  PHE C -87.4 -47.4 . . . . 1.0 A 6  ARG C . A 7  PHE N  . A 7  PHE CA . A 7  PHE C . 6RRO 2 
10 10 . PSI 1 1 7  PHE N 1 1 7  PHE CA 1 1 7  PHE C  1 1 8  LYS N -57.9 -17.9 . . . . 1.0 A 7  PHE N . A 7  PHE CA . A 7  PHE C  . A 8  LYS N . 6RRO 2 
11 11 . PHI 1 1 7  PHE C 1 1 8  LYS N  1 1 8  LYS CA 1 1 8  LYS C -84.4 -44.4 . . . . 1.0 A 7  PHE C . A 8  LYS N  . A 8  LYS CA . A 8  LYS C . 6RRO 2 
12 12 . PSI 1 1 8  LYS N 1 1 8  LYS CA 1 1 8  LYS C  1 1 9  ILE N -57.1 -17.1 . . . . 1.0 A 8  LYS N . A 8  LYS CA . A 8  LYS C  . A 9  ILE N . 6RRO 2 
13 13 . PHI 1 1 8  LYS C 1 1 9  ILE N  1 1 9  ILE CA 1 1 9  ILE C -89.0 -49.0 . . . . 1.0 A 8  LYS C . A 9  ILE N  . A 9  ILE CA . A 9  ILE C . 6RRO 2 
14 14 . PSI 1 1 9  ILE N 1 1 9  ILE CA 1 1 9  ILE C  1 1 10 LEU N -54.6 -14.6 . . . . 1.0 A 9  ILE N . A 9  ILE CA . A 9  ILE C  . A 10 LEU N . 6RRO 2 
15 15 . PHI 1 1 9  ILE C 1 1 10 LEU N  1 1 10 LEU CA 1 1 10 LEU C -87.8 -47.8 . . . . 1.0 A 9  ILE C . A 10 LEU N  . A 10 LEU CA . A 10 LEU C . 6RRO 2 
16 16 . PSI 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C  1 1 11 VAL N -48.4 -8.4  . . . . 1.0 A 10 LEU N . A 10 LEU CA . A 10 LEU C  . A 11 VAL N . 6RRO 2 
stop_
save_
