data_nef_6dzb

save_entry_information
# 
_Entry.Sf_category        entry_information 
_Entry.Sf_framecode       entry_information 
_Entry.ID                 6DZB 
_Entry.Assigned_BMRB_ID   30488 
# 
loop_
_Data_set.Type 
_Data_set.Count 
_Data_set.Entry_ID 
assigned_chemical_shifts     1 6DZB 
general_distance_constraints 2 6DZB 
stop_
save_
save_assembly
# 
_Assembly.Sf_category                       assembly 
_Assembly.Sf_framecode                      assembly 
_Assembly.Entry_ID                          6DZB 
_Assembly.ID                                1 
_Assembly.Name                              CPfox5 
_Assembly.BMRB_code                         . 
_Assembly.Number_of_components              1 
_Assembly.Organic_ligands                   . 
_Assembly.Metal_ions                        . 
_Assembly.Non_standard_bonds                yes 
_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                    1925.241 
_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 . . . . . ? 6DZB 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 . cyclic no 6DZB 1 
1 1 2  SER 2  A 2  SER . middle .  6DZB 1 
1 1 3  ARG 3  A 3  ARG . middle .  6DZB 1 
1 1 4  GLY 4  A 4  GLY . middle no 6DZB 1 
1 1 5  PHE 5  A 5  PHE . middle .  6DZB 1 
1 1 6  ARG 6  A 6  ARG . middle .  6DZB 1 
1 1 7  PHE 7  A 7  PHE . middle .  6DZB 1 
1 1 8  DPR 8  A 8  DPR . middle .  6DZB 1 
1 1 9  PRO 9  A 9  PRO . middle no 6DZB 1 
1 1 10 LYS 10 A 10 LYS . middle .  6DZB 1 
1 1 11 ILE 11 A 11 ILE . middle .  6DZB 1 
1 1 12 ILE 12 A 12 ILE . middle .  6DZB 1 
1 1 13 PHE 13 A 13 PHE . middle .  6DZB 1 
1 1 14 ASN 14 A 14 ASN . middle .  6DZB 1 
1 1 15 GLU 15 A 15 GLU . middle .  6DZB 1 
1 1 16 ARG 16 A 16 ARG . cyclic .  6DZB 1 
stop_
# 
loop_
_Bond.ID 
_Bond.Type 
_Bond.Value_order 
_Bond.Entity_assembly_ID_1 
_Bond.Entity_assembly_name_1 
_Bond.Entity_ID_1 
_Bond.Comp_ID_1 
_Bond.Comp_index_ID_1 
_Bond.Seq_ID_1 
_Bond.Atom_ID_1 
_Bond.Entity_assembly_ID_2 
_Bond.Entity_assembly_name_2 
_Bond.Entity_ID_2 
_Bond.Comp_ID_2 
_Bond.Comp_index_ID_2 
_Bond.Seq_ID_2 
_Bond.Atom_ID_2 
_Bond.Auth_asym_ID_1 
_Bond.Auth_seq_ID_1 
_Bond.Auth_comp_ID_1 
_Bond.Auth_atom_ID_1 
_Bond.Auth_asym_ID_2 
_Bond.Auth_seq_ID_2 
_Bond.Auth_comp_ID_2 
_Bond.Auth_atom_ID_2 
_Bond.Entry_ID 
_Bond.Assembly_ID 
1 covalent sing 1 entity_1 1 PHE 7 7 C 1 entity_1 1 DPR 8 8 N A 7 PHE C A 8 DPR N 6DZB 1 
2 covalent sing 1 entity_1 1 DPR 8 8 C 1 entity_1 1 PRO 9 9 N A 8 DPR C A 9 PRO N 6DZB 1 
stop_
# 
loop_
_Entity_deleted_atom.ID 
_Entity_deleted_atom.Entity_assembly_ID 
_Entity_deleted_atom.Comp_ID 
_Entity_deleted_atom.Comp_index_ID 
_Entity_deleted_atom.Seq_ID 
_Entity_deleted_atom.Atom_ID 
_Entity_deleted_atom.Auth_entity_assembly_ID 
_Entity_deleted_atom.Auth_seq_ID 
_Entity_deleted_atom.Auth_comp_ID 
_Entity_deleted_atom.Auth_atom_ID 
_Entity_deleted_atom.Entry_ID 
_Entity_deleted_atom.Assembly_ID 
1 1 PHE 7 7 OXT A 7 PHE OXT 6DZB 1 
2 1 DPR 8 8 H   A 8 DPR H   6DZB 1 
3 1 DPR 8 8 OXT A 8 DPR OXT 6DZB 1 
4 1 PRO 9 9 H   A 9 PRO H   6DZB 1 
stop_
save_
save_entity_1
# 
_Entity.Sf_category                       entity 
_Entity.Sf_framecode                      entity_1 
_Entity.Entry_ID                          6DZB 
_Entity.ID                                1 
_Entity.BMRB_code                         . 
_Entity.Name                              CPfox5 
_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   GSRGFRFPPKIIFNER 
_Entity.Polymer_seq_one_letter_code       'GSRGFRF(DPR)PKIIFNER' 
_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                      yes 
_Entity.Nstd_chirality                    . 
_Entity.Nstd_linkage                      no 
_Entity.Nonpolymer_comp_ID                . 
_Entity.Nonpolymer_comp_label             . 
_Entity.Number_of_monomers                16 
_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                    1925.241 
_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 .                6DZB 1 
2  2  SER .                6DZB 1 
3  3  ARG .                6DZB 1 
4  4  GLY .                6DZB 1 
5  5  PHE .                6DZB 1 
6  6  ARG .                6DZB 1 
7  7  PHE .                6DZB 1 
8  8  DPR '$chem_comp_DPR' 6DZB 1 
9  9  PRO .                6DZB 1 
10 10 LYS .                6DZB 1 
11 11 ILE .                6DZB 1 
12 12 ILE .                6DZB 1 
13 13 PHE .                6DZB 1 
14 14 ASN .                6DZB 1 
15 15 GLU .                6DZB 1 
16 16 ARG .                6DZB 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  6DZB 1 
. SER 2  2  6DZB 1 
. ARG 3  3  6DZB 1 
. GLY 4  4  6DZB 1 
. PHE 5  5  6DZB 1 
. ARG 6  6  6DZB 1 
. PHE 7  7  6DZB 1 
. DPR 8  8  6DZB 1 
. PRO 9  9  6DZB 1 
. LYS 10 10 6DZB 1 
. ILE 11 11 6DZB 1 
. ILE 12 12 6DZB 1 
. PHE 13 13 6DZB 1 
. ASN 14 14 6DZB 1 
. GLU 15 15 6DZB 1 
. ARG 16 16 6DZB 1 
stop_
save_
save_chemical_shift_1
# 
_Chem_shift_reference.Sf_category    chem_shift_reference 
_Chem_shift_reference.Sf_framecode   chemical_shift_1 
_Chem_shift_reference.Entry_ID       6DZB 
_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  DSS 'methyl protons' . . . . ppm 0.000 internal direct   1.0        6DZB 1 
N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 6DZB 1 
stop_
save_
save_cpfox5_assign
# 
_Assigned_chem_shift_list.Sf_category      assigned_chemical_shifts 
_Assigned_chem_shift_list.Sf_framecode     cpfox5_assign 
_Assigned_chem_shift_list.Entry_ID         6DZB 
_Assigned_chem_shift_list.ID               1 
_Assigned_chem_shift_list.Data_file_name   6dzb_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 HA2  H 1  3.799   0.00 . . . . . A 1  GLY HA2  A 1  GLY HA2  . 6DZB 1 
2   1 1 1  1  GLY HA3  H 1  4.031   0.00 . . . . . A 1  GLY HA3  A 1  GLY HA1  . 6DZB 1 
3   1 1 1  1  GLY H1   H 1  8.301   0.00 . . . . . A 1  GLY H1   A 1  GLY HN   . 6DZB 1 
4   1 1 1  1  GLY N    N 15 109.971 0.00 . . . . . A 1  GLY N    A 1  GLY N    . 6DZB 1 
5   1 1 2  2  SER HA   H 1  4.445   0.00 . . . . . A 2  SER HA   A 2  SER HA   . 6DZB 1 
6   1 1 2  2  SER HB2  H 1  3.866   0.00 . . . . . A 2  SER HB2  A 2  SER HB2  . 6DZB 1 
7   1 1 2  2  SER HB3  H 1  3.957   0.00 . . . . . A 2  SER HB3  A 2  SER HB1  . 6DZB 1 
8   1 1 2  2  SER H    H 1  8.019   0.00 . . . . . A 2  SER H    A 2  SER HN   . 6DZB 1 
9   1 1 2  2  SER N    N 15 115.069 0.00 . . . . . A 2  SER N    A 2  SER N    . 6DZB 1 
10  1 1 3  3  ARG HA   H 1  4.330   0.00 . . . . . A 3  ARG HA   A 3  ARG HA   . 6DZB 1 
11  1 1 3  3  ARG HB2  H 1  1.713   0.00 . . . . . A 3  ARG HB2  A 3  ARG HB2  . 6DZB 1 
12  1 1 3  3  ARG HB3  H 1  1.793   0.00 . . . . . A 3  ARG HB3  A 3  ARG HB1  . 6DZB 1 
13  1 1 3  3  ARG HD2  H 1  3.133   0.00 . . . . . A 3  ARG HD2  A 3  ARG HD2  . 6DZB 1 
14  1 1 3  3  ARG HD3  H 1  3.133   0.00 . . . . . A 3  ARG HD3  A 3  ARG HD1  . 6DZB 1 
15  1 1 3  3  ARG HE   H 1  7.102   0.00 . . . . . A 3  ARG HE   A 3  ARG HE   . 6DZB 1 
16  1 1 3  3  ARG HG2  H 1  1.533   0.00 . . . . . A 3  ARG HG2  A 3  ARG HG2  . 6DZB 1 
17  1 1 3  3  ARG HG3  H 1  1.585   0.00 . . . . . A 3  ARG HG3  A 3  ARG HG1  . 6DZB 1 
18  1 1 3  3  ARG H    H 1  8.231   0.00 . . . . . A 3  ARG H    A 3  ARG HN   . 6DZB 1 
19  1 1 3  3  ARG N    N 15 121.432 0.00 . . . . . A 3  ARG N    A 3  ARG N    . 6DZB 1 
20  1 1 4  4  GLY HA2  H 1  3.813   0.00 . . . . . A 4  GLY HA2  A 4  GLY HA2  . 6DZB 1 
21  1 1 4  4  GLY HA3  H 1  3.196   0.00 . . . . . A 4  GLY HA3  A 4  GLY HA1  . 6DZB 1 
22  1 1 4  4  GLY H    H 1  8.265   0.00 . . . . . A 4  GLY H    A 4  GLY HN   . 6DZB 1 
23  1 1 4  4  GLY N    N 15 110.210 0.00 . . . . . A 4  GLY N    A 4  GLY N    . 6DZB 1 
24  1 1 5  5  PHE HA   H 1  4.655   0.00 . . . . . A 5  PHE HA   A 5  PHE HA   . 6DZB 1 
25  1 1 5  5  PHE HB2  H 1  2.911   0.00 . . . . . A 5  PHE HB2  A 5  PHE HB2  . 6DZB 1 
26  1 1 5  5  PHE HB3  H 1  2.911   0.00 . . . . . A 5  PHE HB3  A 5  PHE HB1  . 6DZB 1 
27  1 1 5  5  PHE HD1  H 1  7.098   0.00 . . . . . A 5  PHE HD1  A 5  PHE HD1  . 6DZB 1 
28  1 1 5  5  PHE HD2  H 1  7.098   0.00 . . . . . A 5  PHE HD2  A 5  PHE HD2  . 6DZB 1 
29  1 1 5  5  PHE H    H 1  8.349   0.00 . . . . . A 5  PHE H    A 5  PHE HN   . 6DZB 1 
30  1 1 5  5  PHE N    N 15 120.756 0.00 . . . . . A 5  PHE N    A 5  PHE N    . 6DZB 1 
31  1 1 6  6  ARG HA   H 1  4.587   0.00 . . . . . A 6  ARG HA   A 6  ARG HA   . 6DZB 1 
32  1 1 6  6  ARG HB2  H 1  1.568   0.00 . . . . . A 6  ARG HB2  A 6  ARG HB2  . 6DZB 1 
33  1 1 6  6  ARG HB3  H 1  1.666   0.00 . . . . . A 6  ARG HB3  A 6  ARG HB1  . 6DZB 1 
34  1 1 6  6  ARG HD2  H 1  3.035   0.00 . . . . . A 6  ARG HD2  A 6  ARG HD2  . 6DZB 1 
35  1 1 6  6  ARG HD3  H 1  3.092   0.00 . . . . . A 6  ARG HD3  A 6  ARG HD1  . 6DZB 1 
36  1 1 6  6  ARG HE   H 1  7.149   0.00 . . . . . A 6  ARG HE   A 6  ARG HE   . 6DZB 1 
37  1 1 6  6  ARG HG2  H 1  1.394   0.00 . . . . . A 6  ARG HG2  A 6  ARG HG2  . 6DZB 1 
38  1 1 6  6  ARG HG3  H 1  1.488   0.00 . . . . . A 6  ARG HG3  A 6  ARG HG1  . 6DZB 1 
39  1 1 6  6  ARG H    H 1  8.277   0.00 . . . . . A 6  ARG H    A 6  ARG HN   . 6DZB 1 
40  1 1 6  6  ARG N    N 15 122.624 0.00 . . . . . A 6  ARG N    A 6  ARG N    . 6DZB 1 
41  1 1 7  7  PHE HA   H 1  4.969   0.00 . . . . . A 7  PHE HA   A 7  PHE HA   . 6DZB 1 
42  1 1 7  7  PHE HB2  H 1  2.766   0.01 . . . . . A 7  PHE HB2  A 7  PHE HB2  . 6DZB 1 
43  1 1 7  7  PHE HB3  H 1  2.966   0.00 . . . . . A 7  PHE HB3  A 7  PHE HB1  . 6DZB 1 
44  1 1 7  7  PHE HD1  H 1  7.206   0.00 . . . . . A 7  PHE HD1  A 7  PHE HD1  . 6DZB 1 
45  1 1 7  7  PHE HD2  H 1  7.206   0.00 . . . . . A 7  PHE HD2  A 7  PHE HD2  . 6DZB 1 
46  1 1 7  7  PHE H    H 1  8.766   0.00 . . . . . A 7  PHE H    A 7  PHE HN   . 6DZB 1 
47  1 1 7  7  PHE N    N 15 125.820 0.00 . . . . . A 7  PHE N    A 7  PHE N    . 6DZB 1 
48  1 1 8  8  DPR HA   H 1  4.579   0.00 . . . . . A 8  DPR HA   A 8  DPR HA   . 6DZB 1 
49  1 1 8  8  DPR HB2  H 1  2.154   0.00 . . . . . A 8  DPR HB2  A 8  DPR HB2  . 6DZB 1 
50  1 1 8  8  DPR HD2  H 1  3.382   0.00 . . . . . A 8  DPR HD2  A 8  DPR HD2  . 6DZB 1 
51  1 1 8  8  DPR HD3  H 1  3.507   0.00 . . . . . A 8  DPR HD3  A 8  DPR HD1  . 6DZB 1 
52  1 1 8  8  DPR HG2  H 1  1.803   0.00 . . . . . A 8  DPR HG2  A 8  DPR HG2  . 6DZB 1 
53  1 1 9  9  PRO HA   H 1  4.448   0.00 . . . . . A 9  PRO HA   A 9  PRO HA   . 6DZB 1 
54  1 1 9  9  PRO HB2  H 1  2.175   0.00 . . . . . A 9  PRO HB2  A 9  PRO HB2  . 6DZB 1 
55  1 1 9  9  PRO HB3  H 1  2.051   0.00 . . . . . A 9  PRO HB3  A 9  PRO HB1  . 6DZB 1 
56  1 1 9  9  PRO HD2  H 1  3.630   0.00 . . . . . A 9  PRO HD2  A 9  PRO HD2  . 6DZB 1 
57  1 1 9  9  PRO HD3  H 1  3.912   0.00 . . . . . A 9  PRO HD3  A 9  PRO HD1  . 6DZB 1 
58  1 1 9  9  PRO HG2  H 1  1.862   0.00 . . . . . A 9  PRO HG2  A 9  PRO HG2  . 6DZB 1 
59  1 1 9  9  PRO HG3  H 1  2.019   0.01 . . . . . A 9  PRO HG3  A 9  PRO HG1  . 6DZB 1 
60  1 1 10 10 LYS HA   H 1  4.456   0.00 . . . . . A 10 LYS HA   A 10 LYS HA   . 6DZB 1 
61  1 1 10 10 LYS HB2  H 1  1.820   0.00 . . . . . A 10 LYS HB2  A 10 LYS HB2  . 6DZB 1 
62  1 1 10 10 LYS HB3  H 1  1.820   0.00 . . . . . A 10 LYS HB3  A 10 LYS HB1  . 6DZB 1 
63  1 1 10 10 LYS HD2  H 1  1.643   0.00 . . . . . A 10 LYS HD2  A 10 LYS HD2  . 6DZB 1 
64  1 1 10 10 LYS HD3  H 1  1.643   0.00 . . . . . A 10 LYS HD3  A 10 LYS HD1  . 6DZB 1 
65  1 1 10 10 LYS HE2  H 1  2.926   0.00 . . . . . A 10 LYS HE2  A 10 LYS HE2  . 6DZB 1 
66  1 1 10 10 LYS HE3  H 1  2.926   0.00 . . . . . A 10 LYS HE3  A 10 LYS HE1  . 6DZB 1 
67  1 1 10 10 LYS HG2  H 1  1.374   0.01 . . . . . A 10 LYS HG2  A 10 LYS HG2  . 6DZB 1 
68  1 1 10 10 LYS HG3  H 1  1.374   0.01 . . . . . A 10 LYS HG3  A 10 LYS HG1  . 6DZB 1 
69  1 1 10 10 LYS H    H 1  7.690   0.00 . . . . . A 10 LYS H    A 10 LYS HN   . 6DZB 1 
70  1 1 10 10 LYS N    N 15 120.825 0.00 . . . . . A 10 LYS N    A 10 LYS N    . 6DZB 1 
71  1 1 11 11 ILE HA   H 1  4.377   0.00 . . . . . A 11 ILE HA   A 11 ILE HA   . 6DZB 1 
72  1 1 11 11 ILE HB   H 1  1.578   0.00 . . . . . A 11 ILE HB   A 11 ILE HB   . 6DZB 1 
73  1 1 11 11 ILE HD11 H 1  0.404   0.00 . . . . . A 11 ILE HD11 A 11 ILE HD11 . 6DZB 1 
74  1 1 11 11 ILE HD12 H 1  0.404   0.00 . . . . . A 11 ILE HD12 A 11 ILE HD12 . 6DZB 1 
75  1 1 11 11 ILE HD13 H 1  0.404   0.00 . . . . . A 11 ILE HD13 A 11 ILE HD13 . 6DZB 1 
76  1 1 11 11 ILE HG12 H 1  0.836   0.00 . . . . . A 11 ILE HG12 A 11 ILE HG12 . 6DZB 1 
77  1 1 11 11 ILE HG13 H 1  1.332   0.00 . . . . . A 11 ILE HG13 A 11 ILE HG11 . 6DZB 1 
78  1 1 11 11 ILE HG21 H 1  0.692   0.00 . . . . . A 11 ILE HG21 A 11 ILE HG21 . 6DZB 1 
79  1 1 11 11 ILE HG22 H 1  0.692   0.00 . . . . . A 11 ILE HG22 A 11 ILE HG22 . 6DZB 1 
80  1 1 11 11 ILE HG23 H 1  0.692   0.00 . . . . . A 11 ILE HG23 A 11 ILE HG23 . 6DZB 1 
81  1 1 11 11 ILE H    H 1  8.154   0.00 . . . . . A 11 ILE H    A 11 ILE HN   . 6DZB 1 
82  1 1 11 11 ILE N    N 15 122.793 0.00 . . . . . A 11 ILE N    A 11 ILE N    . 6DZB 1 
83  1 1 12 12 ILE HA   H 1  4.241   0.00 . . . . . A 12 ILE HA   A 12 ILE HA   . 6DZB 1 
84  1 1 12 12 ILE HB   H 1  1.575   0.00 . . . . . A 12 ILE HB   A 12 ILE HB   . 6DZB 1 
85  1 1 12 12 ILE HD11 H 1  0.647   0.00 . . . . . A 12 ILE HD11 A 12 ILE HD11 . 6DZB 1 
86  1 1 12 12 ILE HD12 H 1  0.647   0.00 . . . . . A 12 ILE HD12 A 12 ILE HD12 . 6DZB 1 
87  1 1 12 12 ILE HD13 H 1  0.647   0.00 . . . . . A 12 ILE HD13 A 12 ILE HD13 . 6DZB 1 
88  1 1 12 12 ILE HG12 H 1  1.049   0.00 . . . . . A 12 ILE HG12 A 12 ILE HG12 . 6DZB 1 
89  1 1 12 12 ILE HG13 H 1  1.223   0.00 . . . . . A 12 ILE HG13 A 12 ILE HG11 . 6DZB 1 
90  1 1 12 12 ILE HG21 H 1  0.761   0.00 . . . . . A 12 ILE HG21 A 12 ILE HG21 . 6DZB 1 
91  1 1 12 12 ILE HG22 H 1  0.761   0.00 . . . . . A 12 ILE HG22 A 12 ILE HG22 . 6DZB 1 
92  1 1 12 12 ILE HG23 H 1  0.761   0.00 . . . . . A 12 ILE HG23 A 12 ILE HG23 . 6DZB 1 
93  1 1 12 12 ILE H    H 1  8.599   0.00 . . . . . A 12 ILE H    A 12 ILE HN   . 6DZB 1 
94  1 1 12 12 ILE N    N 15 126.555 0.00 . . . . . A 12 ILE N    A 12 ILE N    . 6DZB 1 
95  1 1 13 13 PHE HA   H 1  4.741   0.00 . . . . . A 13 PHE HA   A 13 PHE HA   . 6DZB 1 
96  1 1 13 13 PHE HB2  H 1  2.873   0.00 . . . . . A 13 PHE HB2  A 13 PHE HB2  . 6DZB 1 
97  1 1 13 13 PHE HB3  H 1  3.014   0.00 . . . . . A 13 PHE HB3  A 13 PHE HB1  . 6DZB 1 
98  1 1 13 13 PHE HD1  H 1  7.095   0.00 . . . . . A 13 PHE HD1  A 13 PHE HD1  . 6DZB 1 
99  1 1 13 13 PHE HD2  H 1  7.095   0.00 . . . . . A 13 PHE HD2  A 13 PHE HD2  . 6DZB 1 
100 1 1 13 13 PHE HE1  H 1  7.194   0.00 . . . . . A 13 PHE HE1  A 13 PHE HE1  . 6DZB 1 
101 1 1 13 13 PHE HE2  H 1  7.194   0.00 . . . . . A 13 PHE HE2  A 13 PHE HE2  . 6DZB 1 
102 1 1 13 13 PHE H    H 1  8.564   0.00 . . . . . A 13 PHE H    A 13 PHE HN   . 6DZB 1 
103 1 1 13 13 PHE N    N 15 124.083 0.00 . . . . . A 13 PHE N    A 13 PHE N    . 6DZB 1 
104 1 1 14 14 ASN HA   H 1  4.679   0.00 . . . . . A 14 ASN HA   A 14 ASN HA   . 6DZB 1 
105 1 1 14 14 ASN HB2  H 1  2.803   0.00 . . . . . A 14 ASN HB2  A 14 ASN HB2  . 6DZB 1 
106 1 1 14 14 ASN HB3  H 1  2.864   0.00 . . . . . A 14 ASN HB3  A 14 ASN HB1  . 6DZB 1 
107 1 1 14 14 ASN HD21 H 1  7.556   0.00 . . . . . A 14 ASN HD21 A 14 ASN HD21 . 6DZB 1 
108 1 1 14 14 ASN HD22 H 1  6.763   0.00 . . . . . A 14 ASN HD22 A 14 ASN HD22 . 6DZB 1 
109 1 1 14 14 ASN H    H 1  8.538   0.00 . . . . . A 14 ASN H    A 14 ASN HN   . 6DZB 1 
110 1 1 14 14 ASN N    N 15 120.360 0.00 . . . . . A 14 ASN N    A 14 ASN N    . 6DZB 1 
111 1 1 15 15 GLU HA   H 1  4.228   0.00 . . . . . A 15 GLU HA   A 15 GLU HA   . 6DZB 1 
112 1 1 15 15 GLU HB2  H 1  1.968   0.00 . . . . . A 15 GLU HB2  A 15 GLU HB2  . 6DZB 1 
113 1 1 15 15 GLU HB3  H 1  2.041   0.00 . . . . . A 15 GLU HB3  A 15 GLU HB1  . 6DZB 1 
114 1 1 15 15 GLU HG2  H 1  2.227   0.00 . . . . . A 15 GLU HG2  A 15 GLU HG2  . 6DZB 1 
115 1 1 15 15 GLU HG3  H 1  2.227   0.00 . . . . . A 15 GLU HG3  A 15 GLU HG1  . 6DZB 1 
116 1 1 15 15 GLU H    H 1  8.487   0.00 . . . . . A 15 GLU H    A 15 GLU HN   . 6DZB 1 
117 1 1 15 15 GLU N    N 15 119.634 0.00 . . . . . A 15 GLU N    A 15 GLU N    . 6DZB 1 
118 1 1 16 16 ARG HA   H 1  4.169   0.00 . . . . . A 16 ARG HA   A 16 ARG HA   . 6DZB 1 
119 1 1 16 16 ARG HB2  H 1  1.758   0.00 . . . . . A 16 ARG HB2  A 16 ARG HB2  . 6DZB 1 
120 1 1 16 16 ARG HB3  H 1  1.841   0.00 . . . . . A 16 ARG HB3  A 16 ARG HB1  . 6DZB 1 
121 1 1 16 16 ARG HD2  H 1  3.136   0.00 . . . . . A 16 ARG HD2  A 16 ARG HD2  . 6DZB 1 
122 1 1 16 16 ARG HD3  H 1  3.136   0.00 . . . . . A 16 ARG HD3  A 16 ARG HD1  . 6DZB 1 
123 1 1 16 16 ARG HE   H 1  7.148   0.00 . . . . . A 16 ARG HE   A 16 ARG HE   . 6DZB 1 
124 1 1 16 16 ARG HG2  H 1  1.548   0.00 . . . . . A 16 ARG HG2  A 16 ARG HG2  . 6DZB 1 
125 1 1 16 16 ARG HG3  H 1  1.604   0.00 . . . . . A 16 ARG HG3  A 16 ARG HG1  . 6DZB 1 
126 1 1 16 16 ARG H    H 1  8.411   0.00 . . . . . A 16 ARG H    A 16 ARG HN   . 6DZB 1 
127 1 1 16 16 ARG N    N 15 120.309 0.00 . . . . . A 16 ARG N    A 16 ARG N    . 6DZB 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                          6DZB 
_Constraint_stat_list.ID                                1 
_Constraint_stat_list.Data_file_name                    6dzb.mr 
_Constraint_stat_list.NOE_dist_averaging_method         r-6 
_Constraint_stat_list.NOE_tot_num                       220 
_Constraint_stat_list.NOE_intraresidue_tot_num          111 
_Constraint_stat_list.NOE_sequential_tot_num            59 
_Constraint_stat_list.NOE_medium_range_tot_num          13 
_Constraint_stat_list.NOE_long_range_tot_num            24 
_Constraint_stat_list.NOE_unique_tot_num                207 
_Constraint_stat_list.NOE_intraresidue_unique_tot_num   111 
_Constraint_stat_list.NOE_sequential_unique_tot_num     59 
_Constraint_stat_list.NOE_medium_range_unique_tot_num   13 
_Constraint_stat_list.NOE_long_range_unique_tot_num     24 
_Constraint_stat_list.NOE_unamb_intramol_tot_num        207 
_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.H_bonds_constrained_tot_num       4 
# 
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 rrm05_peaklist_sort.tbl 1 . 'X-PLOR NIH/CNS' 1 distance NOE             simple 220 6DZB 1 
1 rrm05_peaklist_sort.tbl 1 . 'X-PLOR NIH/CNS' 2 distance 'hydrogen bond' simple 4   6DZB 1 
stop_
save_
save_XPLOR-NIH/CNS_distance_restraints_1
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         XPLOR-NIH/CNS_distance_restraints_1 
_Gen_dist_constraint_list.Entry_ID             6DZB 
_Gen_dist_constraint_list.ID                   1 
_Gen_dist_constraint_list.Data_file_name       rrm05_peaklist_sort.tbl 
_Gen_dist_constraint_list.Constraint_type      NOE 
_Gen_dist_constraint_list.Constraint_file_ID   1 
_Gen_dist_constraint_list.Potential_type       square-well-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 1  GLY HA3  1 1 2  SER H    . 2.5 . . . 1.8 3.2 1.0 A 1  GLY HA3  HA1  A 2  SER H    HN   6DZB 1 
2   2   . . .  1 1 1  GLY HA2  1 1 1  GLY H    . 2.5 . . . 1.8 3.2 1.0 A 1  GLY HA2  HA2  A 1  GLY H    HN   6DZB 1 
3   3   . . .  1 1 1  GLY HA2  1 1 2  SER H    . 2.5 . . . 1.8 3.2 1.0 A 1  GLY HA2  HA2  A 2  SER H    HN   6DZB 1 
4   4   . . .  1 1 2  SER HA   1 1 2  SER H    . 2.5 . . . 1.8 3.2 1.0 A 2  SER HA   HA   A 2  SER H    HN   6DZB 1 
5   5   . . .  1 1 2  SER HA   1 1 3  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 2  SER HA   HA   A 3  ARG H    HN   6DZB 1 
6   6   . . .  1 1 3  ARG HA   1 1 3  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HA   HA   A 3  ARG H    HN   6DZB 1 
7   7   . . .  1 1 3  ARG HA   1 1 4  GLY H    . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HA   HA   A 4  GLY H    HN   6DZB 1 
8   8   . . .  1 1 4  GLY HA3  1 1 14 ASN H    . 4.5 . . . 2.9 6.1 1.0 A 4  GLY HA3  HA1  A 14 ASN H    HN   6DZB 1 
9   9   . . .  1 1 4  GLY HA3  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 4  GLY HA3  HA1  A 5  PHE H    HN   6DZB 1 
10  10  . . .  1 1 4  GLY HA2  1 1 4  GLY H    . 2.5 . . . 1.8 3.2 1.0 A 4  GLY HA2  HA2  A 4  GLY H    HN   6DZB 1 
11  11  . . .  1 1 4  GLY HA2  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 4  GLY HA2  HA2  A 5  PHE H    HN   6DZB 1 
12  12  . . .  1 1 5  PHE HA   1 1 5  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HA   HA   A 5  PHE H    HN   6DZB 1 
13  13  . . .  1 1 5  PHE HA   1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HA   HA   A 6  ARG H    HN   6DZB 1 
14  14  . . .  1 1 6  ARG HA   1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 12 ILE H    HN   6DZB 1 
15  15  . . .  1 1 6  ARG HA   1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HA   HA   A 6  ARG H    HN   6DZB 1 
16  16  . . .  1 1 6  ARG HA   1 1 7  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HA   HA   A 7  PHE H    HN   6DZB 1 
17  17  . . .  1 1 7  PHE HA   1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HA   HA   A 7  PHE H    HN   6DZB 1 
18  18  . . .  1 1 8  DPR HA   1 1 10 LYS H    . 3.5 . . . 2.3 4.7 1.0 A 8  DPR HA   HA   A 10 LYS H    HN   6DZB 1 
19  19  . . .  1 1 10 LYS HA   1 1 10 LYS H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HA   HA   A 10 LYS H    HN   6DZB 1 
20  20  . . .  1 1 10 LYS HA   1 1 11 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HA   HA   A 11 ILE H    HN   6DZB 1 
21  21  . . .  1 1 11 ILE HA   1 1 11 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HA   HA   A 11 ILE H    HN   6DZB 1 
22  22  . . .  1 1 11 ILE HA   1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 12 ILE H    HN   6DZB 1 
23  23  . . .  1 1 11 ILE HA   1 1 5  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HA   HA   A 5  PHE H    HN   6DZB 1 
24  24  . . .  1 1 11 ILE HA   1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HA   HA   A 7  PHE H    HN   6DZB 1 
25  25  . . .  1 1 12 ILE HA   1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 12 ILE H    HN   6DZB 1 
26  26  . . .  1 1 12 ILE HA   1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 13 PHE H    HN   6DZB 1 
27  27  . . .  1 1 13 PHE HA   1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 13 PHE HA   HA   A 13 PHE H    HN   6DZB 1 
28  28  . . .  1 1 14 ASN HA   1 1 15 GLU H    . 3.5 . . . 2.3 4.7 1.0 A 14 ASN HA   HA   A 15 GLU H    HN   6DZB 1 
29  29  . . .  1 1 15 GLU HA   1 1 15 GLU H    . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 15 GLU H    HN   6DZB 1 
30  30  . . .  1 1 15 GLU HA   1 1 16 ARG H    . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 16 ARG H    HN   6DZB 1 
31  31  . . .  1 1 16 ARG HA   1 1 1  GLY H    . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HA   HA   A 1  GLY H    HN   6DZB 1 
32  32  . . .  1 1 16 ARG HA   1 1 16 ARG H    . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HA   HA   A 16 ARG H    HN   6DZB 1 
33  33  . . .  1 1 1  GLY H    1 1 16 ARG H    . 4.5 . . . 2.9 6.1 1.0 A 1  GLY H    HN   A 16 ARG H    HN   6DZB 1 
34  34  . . .  1 1 2  SER H    1 1 1  GLY H    . 3.5 . . . 2.3 4.7 1.0 A 2  SER H    HN   A 1  GLY H    HN   6DZB 1 
35  35  . . .  1 1 2  SER H    1 1 3  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 2  SER H    HN   A 3  ARG H    HN   6DZB 1 
36  36  . . .  1 1 5  PHE H    1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE H    HN   A 12 ILE H    HN   6DZB 1 
37  37  . . .  1 1 6  ARG H    1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 6  ARG H    HN   A 7  PHE H    HN   6DZB 1 
38  38  . . .  1 1 10 LYS H    1 1 11 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 10 LYS H    HN   A 11 ILE H    HN   6DZB 1 
39  39  . . .  1 1 10 LYS H    1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 10 LYS H    HN   A 7  PHE H    HN   6DZB 1 
40  40  . . .  1 1 11 ILE H    1 1 12 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE H    HN   A 12 ILE H    HN   6DZB 1 
41  41  . . .  1 1 2  SER HA   1 1 2  SER HB3  . 2.5 . . . 1.8 3.2 1.0 A 2  SER HA   HA   A 2  SER HB3  HB1  6DZB 1 
42  42  . . .  1 1 2  SER HA   1 1 2  SER HB2  . 2.5 . . . 1.8 3.2 1.0 A 2  SER HA   HA   A 2  SER HB2  HB2  6DZB 1 
43  43  . . .  1 1 2  SER HB3  1 1 15 GLU H    . 4.5 . . . 2.9 6.1 1.0 A 2  SER HB3  HB1  A 15 GLU H    HN   6DZB 1 
44  44  . . .  1 1 2  SER HB3  1 1 2  SER H    . 2.5 . . . 1.8 3.2 1.0 A 2  SER HB3  HB1  A 2  SER H    HN   6DZB 1 
45  45  . . .  1 1 2  SER HB3  1 1 3  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 2  SER HB3  HB1  A 3  ARG H    HN   6DZB 1 
46  46  . . .  1 1 2  SER HB2  1 1 2  SER H    . 2.5 . . . 1.8 3.2 1.0 A 2  SER HB2  HB2  A 2  SER H    HN   6DZB 1 
47  47  . . .  1 1 2  SER HB2  1 1 3  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 2  SER HB2  HB2  A 3  ARG H    HN   6DZB 1 
48  48  . . .  1 1 3  ARG HA   1 1 3  ARG HB3  . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HA   HA   A 3  ARG HB3  HB1  6DZB 1 
49  49  . . .  1 1 3  ARG HA   1 1 3  ARG HB2  . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HA   HA   A 3  ARG HB2  HB2  6DZB 1 
50  50  . . .  1 1 3  ARG HA   1 1 3  ARG HG2  . 4.5 . . . 2.9 6.1 1.0 A 3  ARG HA   HA   A 3  ARG HG2  HG2  6DZB 1 
51  51  . . .  1 1 3  ARG HB3  1 1 3  ARG HA   . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HB3  HB1  A 3  ARG HA   HA   6DZB 1 
52  52  . . .  1 1 3  ARG HB3  1 1 3  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HB3  HB1  A 3  ARG H    HN   6DZB 1 
53  53  . . .  1 1 3  ARG HB3  1 1 4  GLY H    . 3.5 . . . 2.3 4.7 1.0 A 3  ARG HB3  HB1  A 4  GLY H    HN   6DZB 1 
54  54  . . .  1 1 3  ARG HB2  1 1 3  ARG HA   . 3.5 . . . 2.3 4.7 1.0 A 3  ARG HB2  HB2  A 3  ARG HA   HA   6DZB 1 
55  55  . . .  1 1 3  ARG HB2  1 1 3  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 3  ARG HB2  HB2  A 3  ARG H    HN   6DZB 1 
56  56  . . .  1 1 3  ARG HB2  1 1 4  GLY H    . 3.5 . . . 2.3 4.7 1.0 A 3  ARG HB2  HB2  A 4  GLY H    HN   6DZB 1 
57  57  . . .  1 1 3  ARG HG3  1 1 3  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 3  ARG HG3  HG1  A 3  ARG H    HN   6DZB 1 
58  58  . . .  1 1 3  ARG HG2  1 1 3  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 3  ARG HG2  HG2  A 3  ARG H    HN   6DZB 1 
59  59  . . OR 1 1 4  GLY HA3  1 1 11 ILE HD11 . 4.5 . . . 2.9 6.1 1.0 A 4  GLY HA3  HA1  A 11 ILE HD11 HD#  6DZB 1 
60  59  . . OR 1 1 4  GLY HA3  1 1 11 ILE HD12 . 4.5 . . . 2.9 6.1 1.0 A 4  GLY HA3  HA1  A 11 ILE HD12 HD#  6DZB 1 
61  59  . . OR 1 1 4  GLY HA3  1 1 11 ILE HD13 . 4.5 . . . 2.9 6.1 1.0 A 4  GLY HA3  HA1  A 11 ILE HD13 HD#  6DZB 1 
62  60  . . OR 1 1 4  GLY HA2  1 1 11 ILE HD11 . 3.5 . . . 2.3 4.7 1.0 A 4  GLY HA2  HA2  A 11 ILE HD11 HD#  6DZB 1 
63  60  . . OR 1 1 4  GLY HA2  1 1 11 ILE HD12 . 3.5 . . . 2.3 4.7 1.0 A 4  GLY HA2  HA2  A 11 ILE HD12 HD#  6DZB 1 
64  60  . . OR 1 1 4  GLY HA2  1 1 11 ILE HD13 . 3.5 . . . 2.3 4.7 1.0 A 4  GLY HA2  HA2  A 11 ILE HD13 HD#  6DZB 1 
65  61  . . OR 1 1 5  PHE HB2  1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HB2  HB#  A 12 ILE H    HN   6DZB 1 
66  61  . . OR 1 1 5  PHE HB3  1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HB3  HB#  A 12 ILE H    HN   6DZB 1 
67  62  . . OR 1 1 5  PHE HB2  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HB2  HB#  A 5  PHE H    HN   6DZB 1 
68  62  . . OR 1 1 5  PHE HB3  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HB3  HB#  A 5  PHE H    HN   6DZB 1 
69  63  . . OR 1 1 5  PHE HB2  1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HB2  HB#  A 6  ARG H    HN   6DZB 1 
70  63  . . OR 1 1 5  PHE HB3  1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HB3  HB#  A 6  ARG H    HN   6DZB 1 
71  64  . . OR 1 1 5  PHE HD1  1 1 12 ILE HA   . 4.5 . . . 2.9 6.1 1.0 A 5  PHE HD1  HD#  A 12 ILE HA   HA   6DZB 1 
72  64  . . OR 1 1 5  PHE HD2  1 1 12 ILE HA   . 4.5 . . . 2.9 6.1 1.0 A 5  PHE HD2  HD#  A 12 ILE HA   HA   6DZB 1 
73  65  . . OR 1 1 5  PHE HD1  1 1 12 ILE HB   . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HD1  HD#  A 12 ILE HB   HB   6DZB 1 
74  65  . . OR 1 1 5  PHE HD2  1 1 12 ILE HB   . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HD2  HD#  A 12 ILE HB   HB   6DZB 1 
75  66  . . OR 1 1 5  PHE HD1  1 1 5  PHE HB2  . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD1  HD#  A 5  PHE HB2  HB#  6DZB 1 
76  66  . . OR 1 1 5  PHE HD1  1 1 5  PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD1  HD#  A 5  PHE HB3  HB#  6DZB 1 
77  66  . . OR 1 1 5  PHE HD2  1 1 5  PHE HB2  . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD2  HD#  A 5  PHE HB2  HB#  6DZB 1 
78  66  . . OR 1 1 5  PHE HD2  1 1 5  PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD2  HD#  A 5  PHE HB3  HB#  6DZB 1 
79  67  . . OR 1 1 5  PHE HD1  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD1  HD#  A 5  PHE H    HN   6DZB 1 
80  67  . . OR 1 1 5  PHE HD2  1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 5  PHE HD2  HD#  A 5  PHE H    HN   6DZB 1 
81  68  . . OR 1 1 5  PHE HD1  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HD1  HD#  A 6  ARG H    HN   6DZB 1 
82  68  . . OR 1 1 5  PHE HD2  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 5  PHE HD2  HD#  A 6  ARG H    HN   6DZB 1 
83  69  . . OR 1 1 6  ARG HA   1 1 11 ILE HD11 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HD11 HD#  6DZB 1 
84  69  . . OR 1 1 6  ARG HA   1 1 11 ILE HD12 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HD12 HD#  6DZB 1 
85  69  . . OR 1 1 6  ARG HA   1 1 11 ILE HD13 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HD13 HD#  6DZB 1 
86  70  . . OR 1 1 6  ARG HA   1 1 11 ILE HG21 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HG21 HG2# 6DZB 1 
87  70  . . OR 1 1 6  ARG HA   1 1 11 ILE HG22 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HG22 HG2# 6DZB 1 
88  70  . . OR 1 1 6  ARG HA   1 1 11 ILE HG23 . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 11 ILE HG23 HG2# 6DZB 1 
89  71  . . .  1 1 6  ARG HA   1 1 6  ARG HB3  . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HA   HA   A 6  ARG HB3  HB1  6DZB 1 
90  72  . . .  1 1 6  ARG HA   1 1 6  ARG HB2  . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HA   HA   A 6  ARG HB2  HB2  6DZB 1 
91  73  . . OR 1 1 6  ARG HA   1 1 6  ARG HD2  . 4.5 . . . 2.9 6.1 1.0 A 6  ARG HA   HA   A 6  ARG HD2  HD#  6DZB 1 
92  73  . . OR 1 1 6  ARG HA   1 1 6  ARG HD3  . 4.5 . . . 2.9 6.1 1.0 A 6  ARG HA   HA   A 6  ARG HD3  HD#  6DZB 1 
93  74  . . .  1 1 6  ARG HA   1 1 6  ARG HG3  . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 6  ARG HG3  HG1  6DZB 1 
94  75  . . .  1 1 6  ARG HA   1 1 6  ARG HG2  . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HA   HA   A 6  ARG HG2  HG2  6DZB 1 
95  76  . . .  1 1 6  ARG HB3  1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HB3  HB1  A 6  ARG H    HN   6DZB 1 
96  77  . . .  1 1 6  ARG HB3  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 6  ARG HB3  HB1  A 7  PHE H    HN   6DZB 1 
97  78  . . .  1 1 6  ARG HB2  1 1 6  ARG H    . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HB2  HB2  A 6  ARG H    HN   6DZB 1 
98  79  . . .  1 1 6  ARG HB2  1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HB2  HB2  A 7  PHE H    HN   6DZB 1 
99  80  . . OR 1 1 6  ARG HD2  1 1 6  ARG HE   . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HD2  HD#  A 6  ARG HE   HE   6DZB 1 
100 80  . . OR 1 1 6  ARG HD3  1 1 6  ARG HE   . 2.5 . . . 1.8 3.2 1.0 A 6  ARG HD3  HD#  A 6  ARG HE   HE   6DZB 1 
101 81  . . .  1 1 6  ARG HG3  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HG3  HG1  A 6  ARG H    HN   6DZB 1 
102 82  . . .  1 1 6  ARG HG3  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 6  ARG HG3  HG1  A 7  PHE H    HN   6DZB 1 
103 83  . . .  1 1 6  ARG HG2  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 6  ARG HG2  HG2  A 6  ARG H    HN   6DZB 1 
104 84  . . .  1 1 6  ARG HG2  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 6  ARG HG2  HG2  A 7  PHE H    HN   6DZB 1 
105 85  . . .  1 1 7  PHE HA   1 1 7  PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HA   HA   A 7  PHE HB3  HB1  6DZB 1 
106 86  . . .  1 1 7  PHE HA   1 1 7  PHE HB2  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HA   HA   A 7  PHE HB2  HB2  6DZB 1 
107 87  . . .  1 1 7  PHE HA   1 1 8  DPR HD3  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HA   HA   A 8  DPR HD3  HD1  6DZB 1 
108 88  . . .  1 1 7  PHE HA   1 1 8  DPR HD2  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HA   HA   A 8  DPR HD2  HD2  6DZB 1 
109 89  . . .  1 1 7  PHE HA   1 1 8  DPR HG3  . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HA   HA   A 8  DPR HG3  HG1  6DZB 1 
110 90  . . .  1 1 7  PHE HB2  1 1 10 LYS H    . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB2  HB2  A 10 LYS H    HN   6DZB 1 
111 91  . . OR 1 1 7  PHE HB3  1 1 10 LYS HB2  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HB3  HB1  A 10 LYS HB2  HB#  6DZB 1 
112 91  . . OR 1 1 7  PHE HB3  1 1 10 LYS HB3  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HB3  HB1  A 10 LYS HB3  HB#  6DZB 1 
113 92  . . OR 1 1 7  PHE HB3  1 1 12 ILE HD11 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB3  HB1  A 12 ILE HD11 HD#  6DZB 1 
114 92  . . OR 1 1 7  PHE HB3  1 1 12 ILE HD12 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB3  HB1  A 12 ILE HD12 HD#  6DZB 1 
115 92  . . OR 1 1 7  PHE HB3  1 1 12 ILE HD13 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB3  HB1  A 12 ILE HD13 HD#  6DZB 1 
116 93  . . OR 1 1 7  PHE HB3  1 1 12 ILE HG12 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB3  HB1  A 12 ILE HG12 HG1# 6DZB 1 
117 93  . . OR 1 1 7  PHE HB3  1 1 12 ILE HG13 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB3  HB1  A 12 ILE HG13 HG1# 6DZB 1 
118 94  . . OR 1 1 7  PHE HB3  1 1 12 ILE HG12 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB3  HB1  A 12 ILE HG12 HG1# 6DZB 1 
119 94  . . OR 1 1 7  PHE HB3  1 1 12 ILE HG13 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB3  HB1  A 12 ILE HG13 HG1# 6DZB 1 
120 95  . . .  1 1 7  PHE HB3  1 1 7  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HB3  HB1  A 7  PHE H    HN   6DZB 1 
121 96  . . OR 1 1 7  PHE HB2  1 1 10 LYS HB2  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HB2  HB2  A 10 LYS HB2  HB#  6DZB 1 
122 96  . . OR 1 1 7  PHE HB2  1 1 10 LYS HB3  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HB2  HB2  A 10 LYS HB3  HB#  6DZB 1 
123 97  . . OR 1 1 7  PHE HB2  1 1 12 ILE HD11 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB2  HB2  A 12 ILE HD11 HD#  6DZB 1 
124 97  . . OR 1 1 7  PHE HB2  1 1 12 ILE HD12 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB2  HB2  A 12 ILE HD12 HD#  6DZB 1 
125 97  . . OR 1 1 7  PHE HB2  1 1 12 ILE HD13 . 4.5 . . . 3.3 5.7 1.0 A 7  PHE HB2  HB2  A 12 ILE HD13 HD#  6DZB 1 
126 98  . . OR 1 1 7  PHE HB2  1 1 12 ILE HG12 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB2  HB2  A 12 ILE HG12 HG1# 6DZB 1 
127 98  . . OR 1 1 7  PHE HB2  1 1 12 ILE HG13 . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HB2  HB2  A 12 ILE HG13 HG1# 6DZB 1 
128 99  . . .  1 1 7  PHE HB2  1 1 7  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HB2  HB2  A 7  PHE H    HN   6DZB 1 
129 100 . . OR 1 1 7  PHE HD1  1 1 12 ILE HB   . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD1  HD#  A 12 ILE HB   HB   6DZB 1 
130 100 . . OR 1 1 7  PHE HD2  1 1 12 ILE HB   . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD2  HD#  A 12 ILE HB   HB   6DZB 1 
131 101 . . OR 1 1 7  PHE HD1  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD1  HD#  A 6  ARG H    HN   6DZB 1 
132 101 . . OR 1 1 7  PHE HD2  1 1 6  ARG H    . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD2  HD#  A 6  ARG H    HN   6DZB 1 
133 102 . . OR 1 1 7  PHE HD1  1 1 7  PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HD1  HD#  A 7  PHE HB3  HB1  6DZB 1 
134 102 . . OR 1 1 7  PHE HD2  1 1 7  PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 7  PHE HD2  HD#  A 7  PHE HB3  HB1  6DZB 1 
135 103 . . OR 1 1 7  PHE HD1  1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD1  HD#  A 7  PHE HB2  HB2  6DZB 1 
136 103 . . OR 1 1 7  PHE HD2  1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 7  PHE HD2  HD#  A 7  PHE HB2  HB2  6DZB 1 
137 104 . . OR 1 1 7  PHE HD1  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HD1  HD#  A 7  PHE H    HN   6DZB 1 
138 104 . . OR 1 1 7  PHE HD2  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 7  PHE HD2  HD#  A 7  PHE H    HN   6DZB 1 
139 105 . . .  1 1 8  DPR HA   1 1 8  DPR HB3  . 2.5 . . . 1.8 3.2 1.0 A 8  DPR HA   HA   A 8  DPR HB3  HB1  6DZB 1 
140 106 . . .  1 1 8  DPR HA   1 1 8  DPR HD3  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HA   HA   A 8  DPR HD3  HD1  6DZB 1 
141 107 . . .  1 1 8  DPR HA   1 1 8  DPR HD2  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HA   HA   A 8  DPR HD2  HD2  6DZB 1 
142 108 . . .  1 1 8  DPR HA   1 1 8  DPR HG3  . 3.5 . . . 2.3 4.7 1.0 A 8  DPR HA   HA   A 8  DPR HG3  HG1  6DZB 1 
143 109 . . .  1 1 8  DPR HA   1 1 9  PRO HD3  . 2.5 . . . 1.8 3.2 1.0 A 8  DPR HA   HA   A 9  PRO HD3  HD1  6DZB 1 
144 110 . . .  1 1 8  DPR HA   1 1 9  PRO HD2  . 2.5 . . . 1.8 3.2 1.0 A 8  DPR HA   HA   A 9  PRO HD2  HD2  6DZB 1 
145 111 . . .  1 1 8  DPR HD3  1 1 6  ARG HB3  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD3  HD1  A 6  ARG HB3  HB1  6DZB 1 
146 112 . . .  1 1 8  DPR HD3  1 1 6  ARG HB2  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD3  HD1  A 6  ARG HB2  HB2  6DZB 1 
147 113 . . .  1 1 8  DPR HD3  1 1 6  ARG HG3  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD3  HD1  A 6  ARG HG3  HG1  6DZB 1 
148 114 . . .  1 1 8  DPR HD3  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD3  HD1  A 7  PHE H    HN   6DZB 1 
149 115 . . .  1 1 8  DPR HD3  1 1 8  DPR HB3  . 3.5 . . . 2.3 4.7 1.0 A 8  DPR HD3  HD1  A 8  DPR HB3  HB1  6DZB 1 
150 116 . . .  1 1 8  DPR HD3  1 1 8  DPR HG3  . 2.5 . . . 1.8 3.2 1.0 A 8  DPR HD3  HD1  A 8  DPR HG3  HG1  6DZB 1 
151 117 . . .  1 1 8  DPR HD2  1 1 7  PHE HB3  . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD2  HD2  A 7  PHE HB3  HB1  6DZB 1 
152 118 . . .  1 1 8  DPR HD2  1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 8  DPR HD2  HD2  A 7  PHE H    HN   6DZB 1 
153 119 . . .  1 1 8  DPR HD2  1 1 8  DPR HB3  . 3.5 . . . 2.3 4.7 1.0 A 8  DPR HD2  HD2  A 8  DPR HB3  HB1  6DZB 1 
154 120 . . .  1 1 8  DPR HD2  1 1 8  DPR HG3  . 2.5 . . . 1.8 3.2 1.0 A 8  DPR HD2  HD2  A 8  DPR HG3  HG1  6DZB 1 
155 121 . . .  1 1 9  PRO HA   1 1 9  PRO HB3  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HA   HA   A 9  PRO HB3  HB1  6DZB 1 
156 122 . . .  1 1 9  PRO HA   1 1 9  PRO HB2  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HA   HA   A 9  PRO HB2  HB2  6DZB 1 
157 123 . . .  1 1 9  PRO HA   1 1 9  PRO HG2  . 3.5 . . . 2.3 4.7 1.0 A 9  PRO HA   HA   A 9  PRO HG2  HG2  6DZB 1 
158 124 . . .  1 1 9  PRO HD3  1 1 10 LYS H    . 3.5 . . . 2.3 4.7 1.0 A 9  PRO HD3  HD1  A 10 LYS H    HN   6DZB 1 
159 125 . . .  1 1 9  PRO HD3  1 1 8  DPR HG3  . 3.5 . . . 2.3 4.7 1.0 A 9  PRO HD3  HD1  A 8  DPR HG3  HG1  6DZB 1 
160 126 . . .  1 1 9  PRO HD3  1 1 9  PRO HB3  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD3  HD1  A 9  PRO HB3  HB1  6DZB 1 
161 127 . . .  1 1 9  PRO HD3  1 1 9  PRO HB2  . 3.5 . . . 2.3 4.7 1.0 A 9  PRO HD3  HD1  A 9  PRO HB2  HB2  6DZB 1 
162 128 . . .  1 1 9  PRO HD3  1 1 9  PRO HG3  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD3  HD1  A 9  PRO HG3  HG1  6DZB 1 
163 129 . . .  1 1 9  PRO HD3  1 1 9  PRO HG2  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD3  HD1  A 9  PRO HG2  HG2  6DZB 1 
164 130 . . .  1 1 9  PRO HD2  1 1 10 LYS H    . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD2  HD2  A 10 LYS H    HN   6DZB 1 
165 131 . . .  1 1 9  PRO HD2  1 1 9  PRO HB3  . 4.5 . . . 2.9 6.1 1.0 A 9  PRO HD2  HD2  A 9  PRO HB3  HB1  6DZB 1 
166 132 . . .  1 1 9  PRO HD2  1 1 9  PRO HB2  . 3.5 . . . 2.3 4.7 1.0 A 9  PRO HD2  HD2  A 9  PRO HB2  HB2  6DZB 1 
167 133 . . .  1 1 9  PRO HD2  1 1 9  PRO HG3  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD2  HD2  A 9  PRO HG3  HG1  6DZB 1 
168 134 . . .  1 1 9  PRO HD2  1 1 9  PRO HG2  . 2.5 . . . 1.8 3.2 1.0 A 9  PRO HD2  HD2  A 9  PRO HG2  HG2  6DZB 1 
169 135 . . .  1 1 9  PRO HG2  1 1 10 LYS H    . 4.5 . . . 2.9 6.1 1.0 A 9  PRO HG2  HG2  A 10 LYS H    HN   6DZB 1 
170 136 . . OR 1 1 10 LYS HA   1 1 10 LYS HB2  . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HA   HA   A 10 LYS HB2  HB#  6DZB 1 
171 136 . . OR 1 1 10 LYS HA   1 1 10 LYS HB3  . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HA   HA   A 10 LYS HB3  HB#  6DZB 1 
172 137 . . OR 1 1 10 LYS HA   1 1 10 LYS HG2  . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HA   HA   A 10 LYS HG2  HG#  6DZB 1 
173 137 . . OR 1 1 10 LYS HA   1 1 10 LYS HG3  . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HA   HA   A 10 LYS HG3  HG#  6DZB 1 
174 138 . . .  1 1 10 LYS HA   1 1 11 ILE HB   . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HA   HA   A 11 ILE HB   HB   6DZB 1 
175 139 . . OR 1 1 10 LYS HA   1 1 11 ILE HG12 . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HA   HA   A 11 ILE HG12 HG1# 6DZB 1 
176 139 . . OR 1 1 10 LYS HA   1 1 11 ILE HG13 . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HA   HA   A 11 ILE HG13 HG1# 6DZB 1 
177 140 . . OR 1 1 10 LYS HB2  1 1 10 LYS H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HB2  HB#  A 10 LYS H    HN   6DZB 1 
178 140 . . OR 1 1 10 LYS HB3  1 1 10 LYS H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HB3  HB#  A 10 LYS H    HN   6DZB 1 
179 141 . . OR 1 1 10 LYS HB2  1 1 11 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HB2  HB#  A 11 ILE H    HN   6DZB 1 
180 141 . . OR 1 1 10 LYS HB3  1 1 11 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 10 LYS HB3  HB#  A 11 ILE H    HN   6DZB 1 
181 142 . . OR 1 1 10 LYS HB2  1 1 7  PHE HB3  . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB2  HB#  A 7  PHE HB3  HB1  6DZB 1 
182 142 . . OR 1 1 10 LYS HB3  1 1 7  PHE HB3  . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB3  HB#  A 7  PHE HB3  HB1  6DZB 1 
183 143 . . OR 1 1 10 LYS HB2  1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB2  HB#  A 7  PHE HB2  HB2  6DZB 1 
184 143 . . OR 1 1 10 LYS HB3  1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB3  HB#  A 7  PHE HB2  HB2  6DZB 1 
185 144 . . OR 1 1 10 LYS HB2  1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB2  HB#  A 7  PHE H    HN   6DZB 1 
186 144 . . OR 1 1 10 LYS HB3  1 1 7  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 10 LYS HB3  HB#  A 7  PHE H    HN   6DZB 1 
187 145 . . OR 1 1 10 LYS HG2  1 1 10 LYS H    . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HG2  HG#  A 10 LYS H    HN   6DZB 1 
188 145 . . OR 1 1 10 LYS HG3  1 1 10 LYS H    . 4.5 . . . 2.9 6.1 1.0 A 10 LYS HG3  HG#  A 10 LYS H    HN   6DZB 1 
189 146 . . .  1 1 11 ILE HA   1 1 11 ILE HB   . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HB   HB   6DZB 1 
190 147 . . OR 1 1 11 ILE HA   1 1 11 ILE HD11 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HD11 HD#  6DZB 1 
191 147 . . OR 1 1 11 ILE HA   1 1 11 ILE HD12 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HD12 HD#  6DZB 1 
192 147 . . OR 1 1 11 ILE HA   1 1 11 ILE HD13 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HD13 HD#  6DZB 1 
193 148 . . OR 1 1 11 ILE HA   1 1 11 ILE HG12 . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HA   HA   A 11 ILE HG12 HG1# 6DZB 1 
194 148 . . OR 1 1 11 ILE HA   1 1 11 ILE HG13 . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HA   HA   A 11 ILE HG13 HG1# 6DZB 1 
195 149 . . OR 1 1 11 ILE HA   1 1 11 ILE HG12 . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HA   HA   A 11 ILE HG12 HG1# 6DZB 1 
196 149 . . OR 1 1 11 ILE HA   1 1 11 ILE HG13 . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HA   HA   A 11 ILE HG13 HG1# 6DZB 1 
197 150 . . OR 1 1 11 ILE HA   1 1 11 ILE HG21 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HG21 HG2# 6DZB 1 
198 150 . . OR 1 1 11 ILE HA   1 1 11 ILE HG22 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HG22 HG2# 6DZB 1 
199 150 . . OR 1 1 11 ILE HA   1 1 11 ILE HG23 . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HA   HA   A 11 ILE HG23 HG2# 6DZB 1 
200 151 . . OR 1 1 11 ILE HA   1 1 12 ILE HG21 . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HA   HA   A 12 ILE HG21 HG2# 6DZB 1 
201 151 . . OR 1 1 11 ILE HA   1 1 12 ILE HG22 . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HA   HA   A 12 ILE HG22 HG2# 6DZB 1 
202 151 . . OR 1 1 11 ILE HA   1 1 12 ILE HG23 . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HA   HA   A 12 ILE HG23 HG2# 6DZB 1 
203 152 . . .  1 1 11 ILE HB   1 1 11 ILE HA   . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HB   HB   A 11 ILE HA   HA   6DZB 1 
204 153 . . .  1 1 11 ILE HB   1 1 11 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HB   HB   A 11 ILE H    HN   6DZB 1 
205 154 . . OR 1 1 11 ILE HD11 1 1 11 ILE HA   . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD11 HD#  A 11 ILE HA   HA   6DZB 1 
206 154 . . OR 1 1 11 ILE HD12 1 1 11 ILE HA   . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD12 HD#  A 11 ILE HA   HA   6DZB 1 
207 154 . . OR 1 1 11 ILE HD13 1 1 11 ILE HA   . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD13 HD#  A 11 ILE HA   HA   6DZB 1 
208 155 . . OR 1 1 11 ILE HD11 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HD11 HD#  A 11 ILE H    HN   6DZB 1 
209 155 . . OR 1 1 11 ILE HD12 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HD12 HD#  A 11 ILE H    HN   6DZB 1 
210 155 . . OR 1 1 11 ILE HD13 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HD13 HD#  A 11 ILE H    HN   6DZB 1 
211 156 . . OR 1 1 11 ILE HD11 1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD11 HD#  A 12 ILE H    HN   6DZB 1 
212 156 . . OR 1 1 11 ILE HD12 1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD12 HD#  A 12 ILE H    HN   6DZB 1 
213 156 . . OR 1 1 11 ILE HD13 1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD13 HD#  A 12 ILE H    HN   6DZB 1 
214 157 . . OR 1 1 11 ILE HD11 1 1 6  ARG H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HD11 HD#  A 6  ARG H    HN   6DZB 1 
215 157 . . OR 1 1 11 ILE HD12 1 1 6  ARG H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HD12 HD#  A 6  ARG H    HN   6DZB 1 
216 157 . . OR 1 1 11 ILE HD13 1 1 6  ARG H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HD13 HD#  A 6  ARG H    HN   6DZB 1 
217 158 . . OR 1 1 11 ILE HD11 1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD11 HD#  A 5  PHE H    HN   6DZB 1 
218 158 . . OR 1 1 11 ILE HD12 1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD12 HD#  A 5  PHE H    HN   6DZB 1 
219 158 . . OR 1 1 11 ILE HD13 1 1 5  PHE H    . 2.5 . . . 1.8 3.2 1.0 A 11 ILE HD13 HD#  A 5  PHE H    HN   6DZB 1 
220 159 . . OR 1 1 11 ILE HG12 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HG12 HG1# A 11 ILE H    HN   6DZB 1 
221 159 . . OR 1 1 11 ILE HG13 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HG13 HG1# A 11 ILE H    HN   6DZB 1 
222 160 . . OR 1 1 11 ILE HG12 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HG12 HG1# A 11 ILE H    HN   6DZB 1 
223 160 . . OR 1 1 11 ILE HG13 1 1 11 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 11 ILE HG13 HG1# A 11 ILE H    HN   6DZB 1 
224 161 . . OR 1 1 11 ILE HG21 1 1 11 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HG21 HG2# A 11 ILE H    HN   6DZB 1 
225 161 . . OR 1 1 11 ILE HG22 1 1 11 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HG22 HG2# A 11 ILE H    HN   6DZB 1 
226 161 . . OR 1 1 11 ILE HG23 1 1 11 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 11 ILE HG23 HG2# A 11 ILE H    HN   6DZB 1 
227 162 . . .  1 1 12 ILE HA   1 1 12 ILE HB   . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 12 ILE HB   HB   6DZB 1 
228 163 . . OR 1 1 12 ILE HA   1 1 12 ILE HD11 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HD11 HD#  6DZB 1 
229 163 . . OR 1 1 12 ILE HA   1 1 12 ILE HD12 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HD12 HD#  6DZB 1 
230 163 . . OR 1 1 12 ILE HA   1 1 12 ILE HD13 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HD13 HD#  6DZB 1 
231 164 . . OR 1 1 12 ILE HA   1 1 12 ILE HG12 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HG12 HG1# 6DZB 1 
232 164 . . OR 1 1 12 ILE HA   1 1 12 ILE HG13 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HG13 HG1# 6DZB 1 
233 165 . . OR 1 1 12 ILE HA   1 1 12 ILE HG12 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HG12 HG1# 6DZB 1 
234 165 . . OR 1 1 12 ILE HA   1 1 12 ILE HG13 . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HA   HA   A 12 ILE HG13 HG1# 6DZB 1 
235 166 . . OR 1 1 12 ILE HA   1 1 12 ILE HG21 . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 12 ILE HG21 HG2# 6DZB 1 
236 166 . . OR 1 1 12 ILE HA   1 1 12 ILE HG22 . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 12 ILE HG22 HG2# 6DZB 1 
237 166 . . OR 1 1 12 ILE HA   1 1 12 ILE HG23 . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HA   HA   A 12 ILE HG23 HG2# 6DZB 1 
238 167 . . .  1 1 12 ILE HA   1 1 13 PHE HB2  . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HA   HA   A 13 PHE HB2  HB2  6DZB 1 
239 168 . . .  1 1 12 ILE HB   1 1 12 ILE HA   . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HB   HB   A 12 ILE HA   HA   6DZB 1 
240 169 . . .  1 1 12 ILE HB   1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HB   HB   A 12 ILE H    HN   6DZB 1 
241 170 . . .  1 1 12 ILE HB   1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HB   HB   A 13 PHE H    HN   6DZB 1 
242 171 . . .  1 1 12 ILE HB   1 1 5  PHE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HB   HB   A 5  PHE H    HN   6DZB 1 
243 172 . . OR 1 1 12 ILE HD11 1 1 10 LYS HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD11 HD#  A 10 LYS HB2  HB#  6DZB 1 
244 172 . . OR 1 1 12 ILE HD11 1 1 10 LYS HB3  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD11 HD#  A 10 LYS HB3  HB#  6DZB 1 
245 172 . . OR 1 1 12 ILE HD12 1 1 10 LYS HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD12 HD#  A 10 LYS HB2  HB#  6DZB 1 
246 172 . . OR 1 1 12 ILE HD12 1 1 10 LYS HB3  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD12 HD#  A 10 LYS HB3  HB#  6DZB 1 
247 172 . . OR 1 1 12 ILE HD13 1 1 10 LYS HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD13 HD#  A 10 LYS HB2  HB#  6DZB 1 
248 172 . . OR 1 1 12 ILE HD13 1 1 10 LYS HB3  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD13 HD#  A 10 LYS HB3  HB#  6DZB 1 
249 173 . . OR 1 1 12 ILE HD11 1 1 12 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD11 HD#  A 12 ILE H    HN   6DZB 1 
250 173 . . OR 1 1 12 ILE HD12 1 1 12 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD12 HD#  A 12 ILE H    HN   6DZB 1 
251 173 . . OR 1 1 12 ILE HD13 1 1 12 ILE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD13 HD#  A 12 ILE H    HN   6DZB 1 
252 174 . . OR 1 1 12 ILE HD11 1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD11 HD#  A 13 PHE H    HN   6DZB 1 
253 174 . . OR 1 1 12 ILE HD12 1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD12 HD#  A 13 PHE H    HN   6DZB 1 
254 174 . . OR 1 1 12 ILE HD13 1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD13 HD#  A 13 PHE H    HN   6DZB 1 
255 175 . . OR 1 1 12 ILE HD11 1 1 7  PHE HB3  . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD11 HD#  A 7  PHE HB3  HB1  6DZB 1 
256 175 . . OR 1 1 12 ILE HD12 1 1 7  PHE HB3  . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD12 HD#  A 7  PHE HB3  HB1  6DZB 1 
257 175 . . OR 1 1 12 ILE HD13 1 1 7  PHE HB3  . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HD13 HD#  A 7  PHE HB3  HB1  6DZB 1 
258 176 . . OR 1 1 12 ILE HD11 1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD11 HD#  A 7  PHE HB2  HB2  6DZB 1 
259 176 . . OR 1 1 12 ILE HD12 1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD12 HD#  A 7  PHE HB2  HB2  6DZB 1 
260 176 . . OR 1 1 12 ILE HD13 1 1 7  PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HD13 HD#  A 7  PHE HB2  HB2  6DZB 1 
261 177 . . OR 1 1 12 ILE HG12 1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HG12 HG1# A 12 ILE H    HN   6DZB 1 
262 177 . . OR 1 1 12 ILE HG13 1 1 12 ILE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HG13 HG1# A 12 ILE H    HN   6DZB 1 
263 178 . . OR 1 1 12 ILE HG12 1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG12 HG1# A 13 PHE H    HN   6DZB 1 
264 178 . . OR 1 1 12 ILE HG13 1 1 13 PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG13 HG1# A 13 PHE H    HN   6DZB 1 
265 179 . . OR 1 1 12 ILE HG12 1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG12 HG1# A 7  PHE H    HN   6DZB 1 
266 179 . . OR 1 1 12 ILE HG13 1 1 7  PHE H    . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG13 HG1# A 7  PHE H    HN   6DZB 1 
267 180 . . OR 1 1 12 ILE HG12 1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HG12 HG1# A 12 ILE H    HN   6DZB 1 
268 180 . . OR 1 1 12 ILE HG13 1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HG13 HG1# A 12 ILE H    HN   6DZB 1 
269 181 . . OR 1 1 12 ILE HG21 1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HG21 HG2# A 12 ILE H    HN   6DZB 1 
270 181 . . OR 1 1 12 ILE HG22 1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HG22 HG2# A 12 ILE H    HN   6DZB 1 
271 181 . . OR 1 1 12 ILE HG23 1 1 12 ILE H    . 3.5 . . . 2.3 4.7 1.0 A 12 ILE HG23 HG2# A 12 ILE H    HN   6DZB 1 
272 182 . . OR 1 1 12 ILE HG21 1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HG21 HG2# A 13 PHE H    HN   6DZB 1 
273 182 . . OR 1 1 12 ILE HG22 1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HG22 HG2# A 13 PHE H    HN   6DZB 1 
274 182 . . OR 1 1 12 ILE HG23 1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 12 ILE HG23 HG2# A 13 PHE H    HN   6DZB 1 
275 183 . . OR 1 1 12 ILE HG21 1 1 14 ASN HD21 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG21 HG2# A 14 ASN HD21 HD#  6DZB 1 
276 183 . . OR 1 1 12 ILE HG21 1 1 14 ASN HD22 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG21 HG2# A 14 ASN HD22 HD#  6DZB 1 
277 183 . . OR 1 1 12 ILE HG22 1 1 14 ASN HD21 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG22 HG2# A 14 ASN HD21 HD#  6DZB 1 
278 183 . . OR 1 1 12 ILE HG22 1 1 14 ASN HD22 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG22 HG2# A 14 ASN HD22 HD#  6DZB 1 
279 183 . . OR 1 1 12 ILE HG23 1 1 14 ASN HD21 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG23 HG2# A 14 ASN HD21 HD#  6DZB 1 
280 183 . . OR 1 1 12 ILE HG23 1 1 14 ASN HD22 . 4.5 . . . 2.9 6.1 1.0 A 12 ILE HG23 HG2# A 14 ASN HD22 HD#  6DZB 1 
281 184 . . .  1 1 13 PHE HB3  1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HB3  HB1  A 13 PHE H    HN   6DZB 1 
282 185 . . .  1 1 13 PHE HB2  1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HB2  HB2  A 13 PHE H    HN   6DZB 1 
283 186 . . .  1 1 13 PHE HB2  1 1 14 ASN H    . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HB2  HB2  A 14 ASN H    HN   6DZB 1 
284 187 . . OR 1 1 13 PHE HD1  1 1 13 PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HD1  HD#  A 13 PHE HB3  HB1  6DZB 1 
285 187 . . OR 1 1 13 PHE HD2  1 1 13 PHE HB3  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HD2  HD#  A 13 PHE HB3  HB1  6DZB 1 
286 188 . . OR 1 1 13 PHE HD1  1 1 13 PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 13 PHE HD1  HD#  A 13 PHE HB2  HB2  6DZB 1 
287 188 . . OR 1 1 13 PHE HD2  1 1 13 PHE HB2  . 3.5 . . . 2.3 4.7 1.0 A 13 PHE HD2  HD#  A 13 PHE HB2  HB2  6DZB 1 
288 189 . . OR 1 1 13 PHE HD1  1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HD1  HD#  A 13 PHE H    HN   6DZB 1 
289 189 . . OR 1 1 13 PHE HD2  1 1 13 PHE H    . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HD2  HD#  A 13 PHE H    HN   6DZB 1 
290 190 . . OR 1 1 13 PHE HD1  1 1 14 ASN H    . 4.5 . . . 2.9 6.1 1.0 A 13 PHE HD1  HD#  A 14 ASN H    HN   6DZB 1 
291 190 . . OR 1 1 13 PHE HD2  1 1 14 ASN H    . 4.5 . . . 2.9 6.1 1.0 A 13 PHE HD2  HD#  A 14 ASN H    HN   6DZB 1 
292 191 . . OR 1 1 13 PHE HE1  1 1 13 PHE HD1  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HE1  HE#  A 13 PHE HD1  HD#  6DZB 1 
293 191 . . OR 1 1 13 PHE HE1  1 1 13 PHE HD2  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HE1  HE#  A 13 PHE HD2  HD#  6DZB 1 
294 191 . . OR 1 1 13 PHE HE2  1 1 13 PHE HD1  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HE2  HE#  A 13 PHE HD1  HD#  6DZB 1 
295 191 . . OR 1 1 13 PHE HE2  1 1 13 PHE HD2  . 2.5 . . . 1.8 3.2 1.0 A 13 PHE HE2  HE#  A 13 PHE HD2  HD#  6DZB 1 
296 192 . . OR 1 1 14 ASN HB3  1 1 14 ASN HD21 . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB3  HB1  A 14 ASN HD21 HD#  6DZB 1 
297 192 . . OR 1 1 14 ASN HB3  1 1 14 ASN HD22 . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB3  HB1  A 14 ASN HD22 HD#  6DZB 1 
298 193 . . OR 1 1 14 ASN HB3  1 1 14 ASN HD21 . 3.5 . . . 2.3 4.7 1.0 A 14 ASN HB3  HB1  A 14 ASN HD21 HD#  6DZB 1 
299 193 . . OR 1 1 14 ASN HB3  1 1 14 ASN HD22 . 3.5 . . . 2.3 4.7 1.0 A 14 ASN HB3  HB1  A 14 ASN HD22 HD#  6DZB 1 
300 194 . . .  1 1 14 ASN HB3  1 1 14 ASN H    . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB3  HB1  A 14 ASN H    HN   6DZB 1 
301 195 . . .  1 1 14 ASN HB3  1 1 15 GLU H    . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB3  HB1  A 15 GLU H    HN   6DZB 1 
302 196 . . OR 1 1 14 ASN HB2  1 1 14 ASN HD21 . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB2  HB2  A 14 ASN HD21 HD#  6DZB 1 
303 196 . . OR 1 1 14 ASN HB2  1 1 14 ASN HD22 . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB2  HB2  A 14 ASN HD22 HD#  6DZB 1 
304 197 . . OR 1 1 14 ASN HB2  1 1 14 ASN HD21 . 3.5 . . . 2.3 4.7 1.0 A 14 ASN HB2  HB2  A 14 ASN HD21 HD#  6DZB 1 
305 197 . . OR 1 1 14 ASN HB2  1 1 14 ASN HD22 . 3.5 . . . 2.3 4.7 1.0 A 14 ASN HB2  HB2  A 14 ASN HD22 HD#  6DZB 1 
306 198 . . .  1 1 14 ASN HB2  1 1 14 ASN H    . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB2  HB2  A 14 ASN H    HN   6DZB 1 
307 199 . . .  1 1 14 ASN HB2  1 1 15 GLU H    . 2.5 . . . 1.8 3.2 1.0 A 14 ASN HB2  HB2  A 15 GLU H    HN   6DZB 1 
308 200 . . OR 1 1 14 ASN HD21 1 1 15 GLU H    . 4.5 . . . 2.9 6.1 1.0 A 14 ASN HD21 HD#  A 15 GLU H    HN   6DZB 1 
309 200 . . OR 1 1 14 ASN HD22 1 1 15 GLU H    . 4.5 . . . 2.9 6.1 1.0 A 14 ASN HD22 HD#  A 15 GLU H    HN   6DZB 1 
310 201 . . .  1 1 15 GLU HA   1 1 15 GLU HB3  . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 15 GLU HB3  HB1  6DZB 1 
311 202 . . .  1 1 15 GLU HA   1 1 15 GLU HB2  . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 15 GLU HB2  HB2  6DZB 1 
312 203 . . OR 1 1 15 GLU HA   1 1 15 GLU HG2  . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 15 GLU HG2  HG#  6DZB 1 
313 203 . . OR 1 1 15 GLU HA   1 1 15 GLU HG3  . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HA   HA   A 15 GLU HG3  HG#  6DZB 1 
314 204 . . .  1 1 15 GLU HB3  1 1 15 GLU H    . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HB3  HB1  A 15 GLU H    HN   6DZB 1 
315 205 . . .  1 1 15 GLU HB3  1 1 16 ARG H    . 3.5 . . . 2.3 4.7 1.0 A 15 GLU HB3  HB1  A 16 ARG H    HN   6DZB 1 
316 206 . . .  1 1 15 GLU HB2  1 1 15 GLU H    . 2.5 . . . 1.8 3.2 1.0 A 15 GLU HB2  HB2  A 15 GLU H    HN   6DZB 1 
317 207 . . .  1 1 15 GLU HB2  1 1 16 ARG H    . 3.5 . . . 2.3 4.7 1.0 A 15 GLU HB2  HB2  A 16 ARG H    HN   6DZB 1 
318 208 . . OR 1 1 15 GLU HG2  1 1 15 GLU H    . 3.5 . . . 2.3 4.7 1.0 A 15 GLU HG2  HG#  A 15 GLU H    HN   6DZB 1 
319 208 . . OR 1 1 15 GLU HG3  1 1 15 GLU H    . 3.5 . . . 2.3 4.7 1.0 A 15 GLU HG3  HG#  A 15 GLU H    HN   6DZB 1 
320 209 . . OR 1 1 15 GLU HG2  1 1 16 ARG H    . 4.5 . . . 2.9 6.1 1.0 A 15 GLU HG2  HG#  A 16 ARG H    HN   6DZB 1 
321 209 . . OR 1 1 15 GLU HG3  1 1 16 ARG H    . 4.5 . . . 2.9 6.1 1.0 A 15 GLU HG3  HG#  A 16 ARG H    HN   6DZB 1 
322 210 . . .  1 1 16 ARG HA   1 1 16 ARG HB3  . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HA   HA   A 16 ARG HB3  HB1  6DZB 1 
323 211 . . .  1 1 16 ARG HA   1 1 16 ARG HB2  . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HA   HA   A 16 ARG HB2  HB2  6DZB 1 
324 212 . . .  1 1 16 ARG HA   1 1 16 ARG HG3  . 3.5 . . . 2.3 4.7 1.0 A 16 ARG HA   HA   A 16 ARG HG3  HG1  6DZB 1 
325 213 . . .  1 1 16 ARG HA   1 1 16 ARG HG2  . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HA   HA   A 16 ARG HG2  HG2  6DZB 1 
326 214 . . .  1 1 16 ARG HB3  1 1 1  GLY H    . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HB3  HB1  A 1  GLY H    HN   6DZB 1 
327 215 . . .  1 1 16 ARG HB3  1 1 16 ARG H    . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HB3  HB1  A 16 ARG H    HN   6DZB 1 
328 216 . . .  1 1 16 ARG HB2  1 1 1  GLY H    . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HB2  HB2  A 1  GLY H    HN   6DZB 1 
329 217 . . .  1 1 16 ARG HB2  1 1 16 ARG H    . 2.5 . . . 1.8 3.2 1.0 A 16 ARG HB2  HB2  A 16 ARG H    HN   6DZB 1 
330 218 . . OR 1 1 16 ARG HD2  1 1 16 ARG HE   . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HD2  HD#  A 16 ARG HE   HE   6DZB 1 
331 218 . . OR 1 1 16 ARG HD3  1 1 16 ARG HE   . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HD3  HD#  A 16 ARG HE   HE   6DZB 1 
332 219 . . .  1 1 16 ARG HG3  1 1 16 ARG H    . 4.5 . . . 2.9 6.1 1.0 A 16 ARG HG3  HG1  A 16 ARG H    HN   6DZB 1 
333 220 . . .  1 1 16 ARG HG2  1 1 16 ARG H    . 3.5 . . . 2.3 4.7 1.0 A 16 ARG HG2  HG2  A 16 ARG H    HN   6DZB 1 
stop_
save_
save_XPLOR-NIH/CNS_distance_restraints_2
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         XPLOR-NIH/CNS_distance_restraints_2 
_Gen_dist_constraint_list.Entry_ID             6DZB 
_Gen_dist_constraint_list.ID                   2 
_Gen_dist_constraint_list.Data_file_name       rrm05_peaklist_sort.tbl 
_Gen_dist_constraint_list.Constraint_type      'hydrogen bond' 
_Gen_dist_constraint_list.Constraint_file_ID   1 
_Gen_dist_constraint_list.Potential_type       square-well-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 10 LYS O 1 1 7 PHE H . 2.0 . . . 1.5 2.5 1.0 A 10 LYS O O  A 7 PHE H HN 6DZB 2 
2 2 . . . 1 1 10 LYS H 1 1 7 PHE O . 2.0 . . . 1.5 2.5 1.0 A 10 LYS H HN A 7 PHE O O  6DZB 2 
3 3 . . . 1 1 12 ILE O 1 1 5 PHE H . 2.0 . . . 1.5 2.5 1.0 A 12 ILE O O  A 5 PHE H HN 6DZB 2 
4 4 . . . 1 1 12 ILE H 1 1 5 PHE O . 2.0 . . . 1.5 2.5 1.0 A 12 ILE H HN A 5 PHE O O  6DZB 2 
stop_
save_
