data_nef_5uy2

save_entry_information
# 
_Entry.Sf_category        entry_information 
_Entry.Sf_framecode       entry_information 
_Entry.ID                 5UY2 
_Entry.Assigned_BMRB_ID   30248 
# 
loop_
_Data_set.Type 
_Data_set.Count 
_Data_set.Entry_ID 
assigned_chemical_shifts     1 5UY2 
other_data_types             1 5UY2 
general_distance_constraints 2 5UY2 
torsion_angle_constraints    1 5UY2 
stop_
save_
save_assembly
# 
_Assembly.Sf_category                       assembly 
_Assembly.Sf_framecode                      assembly 
_Assembly.Entry_ID                          5UY2 
_Assembly.ID                                1 
_Assembly.Name                              '20-mer Peptide 38146' 
_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                    2459.632 
_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 . . . . . 'fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)' 5UY2 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  SER 1  A 1  SER . start  . 5UY2 1 
1 1 2  ASP 2  A 2  ASP . middle . 5UY2 1 
1 1 3  THR 3  A 3  THR . middle . 5UY2 1 
1 1 4  ARG 4  A 4  ARG . middle . 5UY2 1 
1 1 5  TYR 5  A 5  TYR . middle . 5UY2 1 
1 1 6  ASN 6  A 6  ASN . middle . 5UY2 1 
1 1 7  LYS 7  A 7  LYS . middle . 5UY2 1 
1 1 8  ASP 8  A 8  ASP . middle . 5UY2 1 
1 1 9  PHE 9  A 9  PHE . middle . 5UY2 1 
1 1 10 ILE 10 A 10 ILE . middle . 5UY2 1 
1 1 11 ASN 11 A 11 ASN . middle . 5UY2 1 
1 1 12 ASN 12 A 12 ASN . middle . 5UY2 1 
1 1 13 LYS 13 A 13 LYS . middle . 5UY2 1 
1 1 14 HIS 14 A 14 HIS . middle . 5UY2 1 
1 1 15 LEU 15 A 15 LEU . middle . 5UY2 1 
1 1 16 ASN 16 A 16 ASN . middle . 5UY2 1 
1 1 17 GLU 17 A 17 GLU . middle . 5UY2 1 
1 1 18 HIS 18 A 18 HIS . middle . 5UY2 1 
1 1 19 ALA 19 A 19 ALA . middle . 5UY2 1 
1 1 20 HIS 20 A 20 HIS . end    . 5UY2 1 
stop_
save_
save_entity_1
# 
_Entity.Sf_category                       entity 
_Entity.Sf_framecode                      entity_1 
_Entity.Entry_ID                          5UY2 
_Entity.ID                                1 
_Entity.BMRB_code                         . 
_Entity.Name                              '20-mer Peptide 38146' 
_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   SDTRYNKDFINNKHLNEHAH 
_Entity.Polymer_seq_one_letter_code       SDTRYNKDFINNKHLNEHAH 
_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                20 
_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                    2459.632 
_Entity.Formula_weight_exptl              . 
_Entity.Formula_weight_exptl_meth         . 
_Entity.Details                           'fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)' 
_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  SER . 5UY2 1 
2  2  ASP . 5UY2 1 
3  3  THR . 5UY2 1 
4  4  ARG . 5UY2 1 
5  5  TYR . 5UY2 1 
6  6  ASN . 5UY2 1 
7  7  LYS . 5UY2 1 
8  8  ASP . 5UY2 1 
9  9  PHE . 5UY2 1 
10 10 ILE . 5UY2 1 
11 11 ASN . 5UY2 1 
12 12 ASN . 5UY2 1 
13 13 LYS . 5UY2 1 
14 14 HIS . 5UY2 1 
15 15 LEU . 5UY2 1 
16 16 ASN . 5UY2 1 
17 17 GLU . 5UY2 1 
18 18 HIS . 5UY2 1 
19 19 ALA . 5UY2 1 
20 20 HIS . 5UY2 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 
. SER 1  1  5UY2 1 
. ASP 2  2  5UY2 1 
. THR 3  3  5UY2 1 
. ARG 4  4  5UY2 1 
. TYR 5  5  5UY2 1 
. ASN 6  6  5UY2 1 
. LYS 7  7  5UY2 1 
. ASP 8  8  5UY2 1 
. PHE 9  9  5UY2 1 
. ILE 10 10 5UY2 1 
. ASN 11 11 5UY2 1 
. ASN 12 12 5UY2 1 
. LYS 13 13 5UY2 1 
. HIS 14 14 5UY2 1 
. LEU 15 15 5UY2 1 
. ASN 16 16 5UY2 1 
. GLU 17 17 5UY2 1 
. HIS 18 18 5UY2 1 
. ALA 19 19 5UY2 1 
. HIS 20 20 5UY2 1 
stop_
save_
save_Chemical_Shift
# 
_Chem_shift_reference.Sf_category    chem_shift_reference 
_Chem_shift_reference.Sf_framecode   Chemical_Shift 
_Chem_shift_reference.Entry_ID       5UY2 
_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 5UY2 1 
stop_
save_
save_38145.txt
# 
_Assigned_chem_shift_list.Sf_category      assigned_chemical_shifts 
_Assigned_chem_shift_list.Sf_framecode     38145.txt 
_Assigned_chem_shift_list.Entry_ID         5UY2 
_Assigned_chem_shift_list.ID               1 
_Assigned_chem_shift_list.Data_file_name   5uy2_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  SER H1   H 1 8.12 0.02 . 1 . . . A 1  SER H1   A 1  SER H1   . 5UY2 1 
2   1 1 1  1  SER HA   H 1 4.3  0.02 . 1 . . . A 1  SER HA   A 1  SER HA   . 5UY2 1 
3   1 1 1  1  SER HB2  H 1 3.78 0.02 . 1 . . . A 1  SER HB2  A 1  SER HB2  . 5UY2 1 
4   1 1 1  1  SER HB3  H 1 3.7  0.02 . 1 . . . A 1  SER HB3  A 1  SER HB3  . 5UY2 1 
5   1 1 2  2  ASP H    H 1 8.45 0.02 . 1 . . . A 2  ASP H    A 2  ASP H    . 5UY2 1 
6   1 1 2  2  ASP HA   H 1 4.65 0.02 . 1 . . . A 2  ASP HA   A 2  ASP HA   . 5UY2 1 
7   1 1 2  2  ASP HB2  H 1 2.82 0.02 . 2 . . . A 2  ASP HB2  A 2  ASP HB2  . 5UY2 1 
8   1 1 2  2  ASP HB3  H 1 2.8  0.02 . 2 . . . A 2  ASP HB3  A 2  ASP HB3  . 5UY2 1 
9   1 1 3  3  THR H    H 1 7.85 0.02 . 1 . . . A 3  THR H    A 3  THR H    . 5UY2 1 
10  1 1 3  3  THR HA   H 1 4.1  0.02 . 1 . . . A 3  THR HA   A 3  THR HA   . 5UY2 1 
11  1 1 3  3  THR HB   H 1 4    0.02 . 1 . . . A 3  THR HB   A 3  THR HB   . 5UY2 1 
12  1 1 3  3  THR HG21 H 1 1.01 0.02 . 1 . . . A 3  THR HG21 A 3  THR HG21 . 5UY2 1 
13  1 1 3  3  THR HG22 H 1 1.01 0.02 . 1 . . . A 3  THR HG22 A 3  THR HG22 . 5UY2 1 
14  1 1 3  3  THR HG23 H 1 1.01 0.02 . 1 . . . A 3  THR HG23 A 3  THR HG23 . 5UY2 1 
15  1 1 4  4  ARG H    H 1 7.92 0.02 . 1 . . . A 4  ARG H    A 4  ARG H    . 5UY2 1 
16  1 1 4  4  ARG HA   H 1 4    0.02 . 1 . . . A 4  ARG HA   A 4  ARG HA   . 5UY2 1 
17  1 1 4  4  ARG HB2  H 1 1.6  0.02 . 2 . . . A 4  ARG HB2  A 4  ARG HB2  . 5UY2 1 
18  1 1 4  4  ARG HB3  H 1 1.6  0.02 . 2 . . . A 4  ARG HB3  A 4  ARG HB3  . 5UY2 1 
19  1 1 4  4  ARG HG2  H 1 1.32 0.02 . 2 . . . A 4  ARG HG2  A 4  ARG HG2  . 5UY2 1 
20  1 1 4  4  ARG HG3  H 1 1.32 0.02 . 2 . . . A 4  ARG HG3  A 4  ARG HG3  . 5UY2 1 
21  1 1 4  4  ARG HD2  H 1 2.97 0.02 . 2 . . . A 4  ARG HD2  A 4  ARG HD2  . 5UY2 1 
22  1 1 4  4  ARG HD3  H 1 2.97 0.02 . 2 . . . A 4  ARG HD3  A 4  ARG HD3  . 5UY2 1 
23  1 1 4  4  ARG HH11 H 1 6.98 0.02 . 2 . . . A 4  ARG HH11 A 4  ARG HH11 . 5UY2 1 
24  1 1 4  4  ARG HH12 H 1 6.98 0.02 . 2 . . . A 4  ARG HH12 A 4  ARG HH12 . 5UY2 1 
25  1 1 5  5  TYR H    H 1 7.68 0.02 . 1 . . . A 5  TYR H    A 5  TYR H    . 5UY2 1 
26  1 1 5  5  TYR HA   H 1 4.38 0.02 . 1 . . . A 5  TYR HA   A 5  TYR HA   . 5UY2 1 
27  1 1 5  5  TYR HB2  H 1 2.98 0.02 . 1 . . . A 5  TYR HB2  A 5  TYR HB2  . 5UY2 1 
28  1 1 5  5  TYR HB3  H 1 2.76 0.02 . 1 . . . A 5  TYR HB3  A 5  TYR HB3  . 5UY2 1 
29  1 1 5  5  TYR HD1  H 1 6.93 0.02 . 3 . . . A 5  TYR HD1  A 5  TYR HD1  . 5UY2 1 
30  1 1 5  5  TYR HD2  H 1 6.93 0.02 . 3 . . . A 5  TYR HD2  A 5  TYR HD2  . 5UY2 1 
31  1 1 5  5  TYR HE1  H 1 6.65 0.02 . 3 . . . A 5  TYR HE1  A 5  TYR HE1  . 5UY2 1 
32  1 1 5  5  TYR HE2  H 1 6.65 0.02 . 3 . . . A 5  TYR HE2  A 5  TYR HE2  . 5UY2 1 
33  1 1 6  6  ASN H    H 1 7.85 0.02 . 1 . . . A 6  ASN H    A 6  ASN H    . 5UY2 1 
34  1 1 6  6  ASN HA   H 1 4.5  0.02 . 1 . . . A 6  ASN HA   A 6  ASN HA   . 5UY2 1 
35  1 1 6  6  ASN HB2  H 1 2.7  0.02 . 2 . . . A 6  ASN HB2  A 6  ASN HB2  . 5UY2 1 
36  1 1 6  6  ASN HB3  H 1 2.7  0.02 . 2 . . . A 6  ASN HB3  A 6  ASN HB3  . 5UY2 1 
37  1 1 6  6  ASN HD21 H 1 7.38 0.02 . 1 . . . A 6  ASN HD21 A 6  ASN HD21 . 5UY2 1 
38  1 1 6  6  ASN HD22 H 1 6.66 0.02 . 1 . . . A 6  ASN HD22 A 6  ASN HD22 . 5UY2 1 
39  1 1 7  7  LYS H    H 1 8.16 0.02 . 1 . . . A 7  LYS H    A 7  LYS H    . 5UY2 1 
40  1 1 7  7  LYS HA   H 1 4    0.02 . 1 . . . A 7  LYS HA   A 7  LYS HA   . 5UY2 1 
41  1 1 7  7  LYS HB2  H 1 1.75 0.02 . 2 . . . A 7  LYS HB2  A 7  LYS HB2  . 5UY2 1 
42  1 1 7  7  LYS HB3  H 1 1.75 0.02 . 2 . . . A 7  LYS HB3  A 7  LYS HB3  . 5UY2 1 
43  1 1 7  7  LYS HG2  H 1 1.35 0.02 . 2 . . . A 7  LYS HG2  A 7  LYS HG2  . 5UY2 1 
44  1 1 7  7  LYS HG3  H 1 1.35 0.02 . 2 . . . A 7  LYS HG3  A 7  LYS HG3  . 5UY2 1 
45  1 1 7  7  LYS HD2  H 1 1.58 0.02 . 2 . . . A 7  LYS HD2  A 7  LYS HD2  . 5UY2 1 
46  1 1 7  7  LYS HD3  H 1 1.58 0.02 . 2 . . . A 7  LYS HD3  A 7  LYS HD3  . 5UY2 1 
47  1 1 7  7  LYS HE2  H 1 2.9  0.02 . 2 . . . A 7  LYS HE2  A 7  LYS HE2  . 5UY2 1 
48  1 1 7  7  LYS HE3  H 1 2.9  0.02 . 2 . . . A 7  LYS HE3  A 7  LYS HE3  . 5UY2 1 
49  1 1 8  8  ASP H    H 1 8.18 0.02 . 1 . . . A 8  ASP H    A 8  ASP H    . 5UY2 1 
50  1 1 8  8  ASP HA   H 1 4.5  0.02 . 1 . . . A 8  ASP HA   A 8  ASP HA   . 5UY2 1 
51  1 1 8  8  ASP HB2  H 1 2.7  0.02 . 2 . . . A 8  ASP HB2  A 8  ASP HB2  . 5UY2 1 
52  1 1 8  8  ASP HB3  H 1 2.7  0.02 . 2 . . . A 8  ASP HB3  A 8  ASP HB3  . 5UY2 1 
53  1 1 9  9  PHE H    H 1 7.88 0.02 . 1 . . . A 9  PHE H    A 9  PHE H    . 5UY2 1 
54  1 1 9  9  PHE HA   H 1 4.28 0.02 . 1 . . . A 9  PHE HA   A 9  PHE HA   . 5UY2 1 
55  1 1 9  9  PHE HB2  H 1 3.1  0.02 . 1 . . . A 9  PHE HB2  A 9  PHE HB2  . 5UY2 1 
56  1 1 9  9  PHE HB3  H 1 2.97 0.02 . 1 . . . A 9  PHE HB3  A 9  PHE HB3  . 5UY2 1 
57  1 1 9  9  PHE HD1  H 1 7.06 0.02 . 3 . . . A 9  PHE HD1  A 9  PHE HD1  . 5UY2 1 
58  1 1 9  9  PHE HD2  H 1 7.06 0.02 . 3 . . . A 9  PHE HD2  A 9  PHE HD2  . 5UY2 1 
59  1 1 9  9  PHE HE1  H 1 7.06 0.02 . 3 . . . A 9  PHE HE1  A 9  PHE HE1  . 5UY2 1 
60  1 1 9  9  PHE HE2  H 1 7.06 0.02 . 3 . . . A 9  PHE HE2  A 9  PHE HE2  . 5UY2 1 
61  1 1 10 10 ILE H    H 1 7.7  0.02 . 1 . . . A 10 ILE H    A 10 ILE H    . 5UY2 1 
62  1 1 10 10 ILE HA   H 1 3.72 0.02 . 1 . . . A 10 ILE HA   A 10 ILE HA   . 5UY2 1 
63  1 1 10 10 ILE HB   H 1 1.75 0.02 . 1 . . . A 10 ILE HB   A 10 ILE HB   . 5UY2 1 
64  1 1 10 10 ILE HG12 H 1 1.4  0.02 . 2 . . . A 10 ILE HG12 A 10 ILE HG12 . 5UY2 1 
65  1 1 10 10 ILE HG13 H 1 1.55 0.02 . 2 . . . A 10 ILE HG13 A 10 ILE HG13 . 5UY2 1 
66  1 1 10 10 ILE HG21 H 1 1.1  0.02 . 1 . . . A 10 ILE HG21 A 10 ILE HG21 . 5UY2 1 
67  1 1 10 10 ILE HG22 H 1 1.1  0.02 . 1 . . . A 10 ILE HG22 A 10 ILE HG22 . 5UY2 1 
68  1 1 10 10 ILE HG23 H 1 1.1  0.02 . 1 . . . A 10 ILE HG23 A 10 ILE HG23 . 5UY2 1 
69  1 1 10 10 ILE HD11 H 1 0.72 0.02 . 1 . . . A 10 ILE HD11 A 10 ILE HD11 . 5UY2 1 
70  1 1 10 10 ILE HD12 H 1 0.72 0.02 . 1 . . . A 10 ILE HD12 A 10 ILE HD12 . 5UY2 1 
71  1 1 10 10 ILE HD13 H 1 0.72 0.02 . 1 . . . A 10 ILE HD13 A 10 ILE HD13 . 5UY2 1 
72  1 1 11 11 ASN H    H 1 8.05 0.02 . 1 . . . A 11 ASN H    A 11 ASN H    . 5UY2 1 
73  1 1 11 11 ASN HA   H 1 4.43 0.02 . 1 . . . A 11 ASN HA   A 11 ASN HA   . 5UY2 1 
74  1 1 11 11 ASN HB2  H 1 2.7  0.02 . 2 . . . A 11 ASN HB2  A 11 ASN HB2  . 5UY2 1 
75  1 1 11 11 ASN HB3  H 1 2.7  0.02 . 2 . . . A 11 ASN HB3  A 11 ASN HB3  . 5UY2 1 
76  1 1 11 11 ASN HD21 H 1 7.45 0.02 . 1 . . . A 11 ASN HD21 A 11 ASN HD21 . 5UY2 1 
77  1 1 11 11 ASN HD22 H 1 6.66 0.02 . 1 . . . A 11 ASN HD22 A 11 ASN HD22 . 5UY2 1 
78  1 1 12 12 ASN H    H 1 8.02 0.02 . 1 . . . A 12 ASN H    A 12 ASN H    . 5UY2 1 
79  1 1 12 12 ASN HA   H 1 4.5  0.02 . 1 . . . A 12 ASN HA   A 12 ASN HA   . 5UY2 1 
80  1 1 12 12 ASN HB2  H 1 2.72 0.02 . 2 . . . A 12 ASN HB2  A 12 ASN HB2  . 5UY2 1 
81  1 1 12 12 ASN HB3  H 1 2.72 0.02 . 2 . . . A 12 ASN HB3  A 12 ASN HB3  . 5UY2 1 
82  1 1 12 12 ASN HD21 H 1 7.35 0.02 . 1 . . . A 12 ASN HD21 A 12 ASN HD21 . 5UY2 1 
83  1 1 12 12 ASN HD22 H 1 6.67 0.02 . 1 . . . A 12 ASN HD22 A 12 ASN HD22 . 5UY2 1 
84  1 1 13 13 LYS H    H 1 8.06 0.02 . 1 . . . A 13 LYS H    A 13 LYS H    . 5UY2 1 
85  1 1 13 13 LYS HA   H 1 4    0.02 . 1 . . . A 13 LYS HA   A 13 LYS HA   . 5UY2 1 
86  1 1 13 13 LYS HB2  H 1 1.6  0.02 . 2 . . . A 13 LYS HB2  A 13 LYS HB2  . 5UY2 1 
87  1 1 13 13 LYS HB3  H 1 1.6  0.02 . 2 . . . A 13 LYS HB3  A 13 LYS HB3  . 5UY2 1 
88  1 1 13 13 LYS HG2  H 1 1.41 0.02 . 2 . . . A 13 LYS HG2  A 13 LYS HG2  . 5UY2 1 
89  1 1 13 13 LYS HG3  H 1 1.41 0.02 . 2 . . . A 13 LYS HG3  A 13 LYS HG3  . 5UY2 1 
90  1 1 13 13 LYS HD2  H 1 1.66 0.02 . 2 . . . A 13 LYS HD2  A 13 LYS HD2  . 5UY2 1 
91  1 1 13 13 LYS HD3  H 1 1.66 0.02 . 2 . . . A 13 LYS HD3  A 13 LYS HD3  . 5UY2 1 
92  1 1 13 13 LYS HE2  H 1 3.01 0.02 . 2 . . . A 13 LYS HE2  A 13 LYS HE2  . 5UY2 1 
93  1 1 13 13 LYS HE3  H 1 3.01 0.02 . 2 . . . A 13 LYS HE3  A 13 LYS HE3  . 5UY2 1 
94  1 1 14 14 HIS H    H 1 8.1  0.02 . 1 . . . A 14 HIS H    A 14 HIS H    . 5UY2 1 
95  1 1 14 14 HIS HA   H 1 4.45 0.02 . 1 . . . A 14 HIS HA   A 14 HIS HA   . 5UY2 1 
96  1 1 14 14 HIS HB2  H 1 3.28 0.02 . 1 . . . A 14 HIS HB2  A 14 HIS HB2  . 5UY2 1 
97  1 1 14 14 HIS HB3  H 1 3.2  0.02 . 1 . . . A 14 HIS HB3  A 14 HIS HB3  . 5UY2 1 
98  1 1 14 14 HIS HD2  H 1 7.14 0.02 . 1 . . . A 14 HIS HD2  A 14 HIS HD2  . 5UY2 1 
99  1 1 14 14 HIS HE2  H 1 7.45 0.02 . 1 . . . A 14 HIS HE2  A 14 HIS HE2  . 5UY2 1 
100 1 1 15 15 LEU H    H 1 7.97 0.02 . 1 . . . A 15 LEU H    A 15 LEU H    . 5UY2 1 
101 1 1 15 15 LEU HA   H 1 4.1  0.02 . 1 . . . A 15 LEU HA   A 15 LEU HA   . 5UY2 1 
102 1 1 15 15 LEU HB2  H 1 1.6  0.02 . 2 . . . A 15 LEU HB2  A 15 LEU HB2  . 5UY2 1 
103 1 1 15 15 LEU HB3  H 1 1.6  0.02 . 2 . . . A 15 LEU HB3  A 15 LEU HB3  . 5UY2 1 
104 1 1 15 15 LEU HG   H 1 1.45 0.02 . 1 . . . A 15 LEU HG   A 15 LEU HG   . 5UY2 1 
105 1 1 15 15 LEU HD11 H 1 0.78 0.02 . 2 . . . A 15 LEU HD11 A 15 LEU HD11 . 5UY2 1 
106 1 1 15 15 LEU HD12 H 1 0.78 0.02 . 2 . . . A 15 LEU HD12 A 15 LEU HD12 . 5UY2 1 
107 1 1 15 15 LEU HD13 H 1 0.78 0.02 . 2 . . . A 15 LEU HD13 A 15 LEU HD13 . 5UY2 1 
108 1 1 15 15 LEU HD21 H 1 0.78 0.02 . 2 . . . A 15 LEU HD21 A 15 LEU HD21 . 5UY2 1 
109 1 1 15 15 LEU HD22 H 1 0.78 0.02 . 2 . . . A 15 LEU HD22 A 15 LEU HD22 . 5UY2 1 
110 1 1 15 15 LEU HD23 H 1 0.78 0.02 . 2 . . . A 15 LEU HD23 A 15 LEU HD23 . 5UY2 1 
111 1 1 16 16 ASN H    H 1 8.2  0.02 . 1 . . . A 16 ASN H    A 16 ASN H    . 5UY2 1 
112 1 1 16 16 ASN HA   H 1 4.49 0.02 . 1 . . . A 16 ASN HA   A 16 ASN HA   . 5UY2 1 
113 1 1 16 16 ASN HB2  H 1 2.82 0.02 . 2 . . . A 16 ASN HB2  A 16 ASN HB2  . 5UY2 1 
114 1 1 16 16 ASN HB3  H 1 2.82 0.02 . 2 . . . A 16 ASN HB3  A 16 ASN HB3  . 5UY2 1 
115 1 1 16 16 ASN HD21 H 1 7.4  0.02 . 1 . . . A 16 ASN HD21 A 16 ASN HD21 . 5UY2 1 
116 1 1 16 16 ASN HD22 H 1 6.71 0.02 . 1 . . . A 16 ASN HD22 A 16 ASN HD22 . 5UY2 1 
117 1 1 17 17 GLU H    H 1 8.01 0.02 . 1 . . . A 17 GLU H    A 17 GLU H    . 5UY2 1 
118 1 1 17 17 GLU HA   H 1 4.1  0.02 . 1 . . . A 17 GLU HA   A 17 GLU HA   . 5UY2 1 
119 1 1 17 17 GLU HB2  H 1 1.99 0.02 . 2 . . . A 17 GLU HB2  A 17 GLU HB2  . 5UY2 1 
120 1 1 17 17 GLU HB3  H 1 1.99 0.02 . 2 . . . A 17 GLU HB3  A 17 GLU HB3  . 5UY2 1 
121 1 1 17 17 GLU HG2  H 1 2.31 0.02 . 2 . . . A 17 GLU HG2  A 17 GLU HG2  . 5UY2 1 
122 1 1 17 17 GLU HG3  H 1 2.31 0.02 . 2 . . . A 17 GLU HG3  A 17 GLU HG3  . 5UY2 1 
123 1 1 18 18 HIS H    H 1 8.18 0.02 . 1 . . . A 18 HIS H    A 18 HIS H    . 5UY2 1 
124 1 1 18 18 HIS HA   H 1 4.5  0.02 . 1 . . . A 18 HIS HA   A 18 HIS HA   . 5UY2 1 
125 1 1 18 18 HIS HB2  H 1 3.16 0.02 . 1 . . . A 18 HIS HB2  A 18 HIS HB2  . 5UY2 1 
126 1 1 18 18 HIS HB3  H 1 3.05 0.02 . 1 . . . A 18 HIS HB3  A 18 HIS HB3  . 5UY2 1 
127 1 1 18 18 HIS HD2  H 1 7.17 0.02 . 1 . . . A 18 HIS HD2  A 18 HIS HD2  . 5UY2 1 
128 1 1 18 18 HIS HE2  H 1 8    0.02 . 1 . . . A 18 HIS HE2  A 18 HIS HE2  . 5UY2 1 
129 1 1 19 19 ALA H    H 1 8.01 0.02 . 1 . . . A 19 ALA H    A 19 ALA H    . 5UY2 1 
130 1 1 19 19 ALA HA   H 1 4.1  0.02 . 1 . . . A 19 ALA HA   A 19 ALA HA   . 5UY2 1 
131 1 1 19 19 ALA HB1  H 1 1.22 0.02 . 1 . . . A 19 ALA HB1  A 19 ALA HB1  . 5UY2 1 
132 1 1 19 19 ALA HB2  H 1 1.22 0.02 . 1 . . . A 19 ALA HB2  A 19 ALA HB2  . 5UY2 1 
133 1 1 19 19 ALA HB3  H 1 1.22 0.02 . 1 . . . A 19 ALA HB3  A 19 ALA HB3  . 5UY2 1 
134 1 1 20 20 HIS H    H 1 8.15 0.02 . 1 . . . A 20 HIS H    A 20 HIS H    . 5UY2 1 
135 1 1 20 20 HIS HA   H 1 4.5  0.02 . 1 . . . A 20 HIS HA   A 20 HIS HA   . 5UY2 1 
136 1 1 20 20 HIS HB2  H 1 3.16 0.02 . 1 . . . A 20 HIS HB2  A 20 HIS HB2  . 5UY2 1 
137 1 1 20 20 HIS HB3  H 1 3.05 0.02 . 1 . . . A 20 HIS HB3  A 20 HIS HB3  . 5UY2 1 
138 1 1 20 20 HIS HD2  H 1 7.15 0.02 . 1 . . . A 20 HIS HD2  A 20 HIS HD2  . 5UY2 1 
139 1 1 20 20 HIS HE2  H 1 8.2  0.02 . 1 . . . A 20 HIS HE2  A 20 HIS HE2  . 5UY2 1 
stop_
save_
save_BIOSYM_coordinate_geometry_restraints_1
# 
_Other_data_type_list.Sf_category        other_data_types 
_Other_data_type_list.Sf_framecode       BIOSYM_coordinate_geometry_restraints_1 
_Other_data_type_list.Entry_ID           5UY2 
_Other_data_type_list.ID                 1 
_Other_data_type_list.Definition         'BIOSYM prochirality constraint' 
_Other_data_type_list.Data_file_name     38145.rstrnt 
_Other_data_type_list.Text_data_format   json 
_Other_data_type_list.Text_data          
;
{
  "entry_id": "5UY2",
  "saveframes": [
    {
      "name": "BIOSYM_coordinate_geometry_restraints_1",
      "category": "undefined",
      "tag_prefix": "?",
      "tags": [
        ["Sf_category", "undefined"],
        ["Sf_framecode", "BIOSYM_coordinate_geometry_restraints_1"],
        ["Definition", "BIOSYM prochirality constraint"],
        ["Data_file_name", "38145.rstrnt"],
        ["ID", 1],
        ["Entry_ID", "5UY2"]
      ],
      "loops": [
        {
          "category": "unknown",
          "tags": [
            "index_id", "id", "auth_asym_id_1", "auth_seq_id_1", "auth_comp_id_1", "auth_atom_id_1", "auth_asym_id_2", "auth_seq_id_2", "auth_comp_id_2", "auth_atom_id_2", "auth_asym_id_3", "auth_seq_id_3", "auth_comp_id_3", "auth_atom_id_3", "auth_asym_id_4", "auth_seq_id_4", "auth_comp_id_4", "auth_atom_id_4", "auth_asym_id_5", "auth_seq_id_5", "auth_comp_id_5", "auth_atom_id_5", "list_id", "entry_id"
          ],
          "data": [
            [1, 1, "A", 15, "LEU", "HD11", "A", 15, "LEU", "HD21", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [2, 1, "A", 15, "LEU", "HD11", "A", 15, "LEU", "HD22", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [3, 1, "A", 15, "LEU", "HD11", "A", 15, "LEU", "HD23", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [4, 1, "A", 15, "LEU", "HD12", "A", 15, "LEU", "HD21", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [5, 1, "A", 15, "LEU", "HD12", "A", 15, "LEU", "HD22", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [6, 1, "A", 15, "LEU", "HD12", "A", 15, "LEU", "HD23", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [7, 1, "A", 15, "LEU", "HD13", "A", 15, "LEU", "HD21", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [8, 1, "A", 15, "LEU", "HD13", "A", 15, "LEU", "HD22", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"],
            [9, 1, "A", 15, "LEU", "HD13", "A", 15, "LEU", "HD23", "A", 15, "LEU", "CD1", "A", 15, "LEU", "CD2", "A", 15, "LEU", "CD2", 1, "5UY2"]
          ]
        }
      ]
    }
  ]
}
;
save_
save_constraint_statistics
# 
_Constraint_stat_list.Sf_category                       constraint_statistics 
_Constraint_stat_list.Sf_framecode                      constraint_statistics 
_Constraint_stat_list.Entry_ID                          5UY2 
_Constraint_stat_list.ID                                1 
_Constraint_stat_list.Data_file_name                    5uy2.mr 
_Constraint_stat_list.NOE_tot_num                       175 
_Constraint_stat_list.Dihedral_angle_tot_num            19 
_Constraint_stat_list.Protein_dihedral_angle_tot_num    19 
_Constraint_stat_list.NOE_intraresidue_tot_num          110 
_Constraint_stat_list.NOE_sequential_tot_num            38 
_Constraint_stat_list.NOE_medium_range_tot_num          28 
_Constraint_stat_list.NOE_long_range_tot_num            0 
_Constraint_stat_list.NOE_unique_tot_num                176 
_Constraint_stat_list.NOE_intraresidue_unique_tot_num   110 
_Constraint_stat_list.NOE_sequential_unique_tot_num     38 
_Constraint_stat_list.NOE_medium_range_unique_tot_num   28 
_Constraint_stat_list.NOE_long_range_unique_tot_num     0 
_Constraint_stat_list.NOE_unamb_intramol_tot_num        176 
_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         0 
_Constraint_stat_list.Protein_psi_angle_tot_num         0 
_Constraint_stat_list.Protein_chi_one_angle_tot_num     0 
_Constraint_stat_list.Protein_other_angle_tot_num       19 
_Constraint_stat_list.Protein_other_tot_num             9 
_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 38145.rstrnt 1 . Discover . 'coordinate geometry'    'BIOSYM prochirality constraint' .      1   5UY2 1 
1 38145.rstrnt 1 . Discover 1 distance                 'hydrogen bond'                  simple 4   5UY2 1 
1 38145.rstrnt 1 . Discover 2 distance                 NOE                              ambi   175 5UY2 1 
1 38145.rstrnt 1 . Discover 3 'protein dihedral angle' 'backbone chemical shifts'       .      19  5UY2 1 
stop_
save_
save_BIOSYM_distance_restraints_1
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         BIOSYM_distance_restraints_1 
_Gen_dist_constraint_list.Entry_ID             5UY2 
_Gen_dist_constraint_list.ID                   1 
_Gen_dist_constraint_list.Data_file_name       38145.rstrnt 
_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             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 2  ASP O 1 1 6  ASN H . . . . . 1.8 2.5 30.0 A 2  ASP O O A 6  ASN H HN 5UY2 1 
2 2 . . . 1 1 10 ILE O 1 1 14 HIS H . . . . . 1.8 2.5 30.0 A 10 ILE O O A 14 HIS H HN 5UY2 1 
3 3 . . . 1 1 12 ASN O 1 1 16 ASN H . . . . . 1.8 2.5 30.0 A 12 ASN O O A 16 ASN H HN 5UY2 1 
4 4 . . . 1 1 14 HIS O 1 1 18 HIS H . . . . . 1.8 2.5 30.0 A 14 HIS O O A 18 HIS H HN 5UY2 1 
stop_
save_
save_BIOSYM_distance_restraints_2
# 
_Gen_dist_constraint_list.Sf_category          general_distance_constraints 
_Gen_dist_constraint_list.Sf_framecode         BIOSYM_distance_restraints_2 
_Gen_dist_constraint_list.Entry_ID             5UY2 
_Gen_dist_constraint_list.ID                   2 
_Gen_dist_constraint_list.Data_file_name       38145.rstrnt 
_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             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 1  SER H    1 1 1  SER HA   . . . . . 1.8 2.8 30.0 A 1  SER H    HN   A 1  SER HA   HA   5UY2 2 
2   2   . . .  1 1 2  ASP H    1 1 2  ASP HA   . . . . . 1.8 2.8 30.0 A 2  ASP H    HN   A 2  ASP HA   HA   5UY2 2 
3   3   . . .  1 1 3  THR H    1 1 3  THR HA   . . . . . 1.8 2.8 30.0 A 3  THR H    HN   A 3  THR HA   HA   5UY2 2 
4   4   . . .  1 1 4  ARG H    1 1 4  ARG HA   . . . . . 1.8 2.8 30.0 A 4  ARG H    HN   A 4  ARG HA   HA   5UY2 2 
5   5   . . .  1 1 5  TYR H    1 1 5  TYR HA   . . . . . 1.8 2.8 30.0 A 5  TYR H    HN   A 5  TYR HA   HA   5UY2 2 
6   6   . . .  1 1 6  ASN H    1 1 6  ASN HA   . . . . . 1.8 2.8 30.0 A 6  ASN H    HN   A 6  ASN HA   HA   5UY2 2 
7   7   . . .  1 1 7  LYS H    1 1 7  LYS HA   . . . . . 1.8 2.8 30.0 A 7  LYS H    HN   A 7  LYS HA   HA   5UY2 2 
8   8   . . .  1 1 8  ASP H    1 1 8  ASP HA   . . . . . 2.8 3.5 30.0 A 8  ASP H    HN   A 8  ASP HA   HA   5UY2 2 
9   9   . . .  1 1 9  PHE H    1 1 9  PHE HA   . . . . . 1.8 2.8 30.0 A 9  PHE H    HN   A 9  PHE HA   HA   5UY2 2 
10  10  . . .  1 1 10 ILE H    1 1 10 ILE HA   . . . . . 1.8 2.8 30.0 A 10 ILE H    HN   A 10 ILE HA   HA   5UY2 2 
11  11  . . .  1 1 11 ASN H    1 1 11 ASN HA   . . . . . 1.8 2.8 30.0 A 11 ASN H    HN   A 11 ASN HA   HA   5UY2 2 
12  12  . . .  1 1 12 ASN H    1 1 12 ASN HA   . . . . . 1.8 2.8 30.0 A 12 ASN H    HN   A 12 ASN HA   HA   5UY2 2 
13  13  . . .  1 1 13 LYS H    1 1 13 LYS HA   . . . . . 1.8 2.8 30.0 A 13 LYS H    HN   A 13 LYS HA   HA   5UY2 2 
14  14  . . .  1 1 14 HIS H    1 1 14 HIS HA   . . . . . 1.8 2.8 30.0 A 14 HIS H    HN   A 14 HIS HA   HA   5UY2 2 
15  15  . . .  1 1 15 LEU H    1 1 15 LEU HA   . . . . . 1.8 2.8 30.0 A 15 LEU H    HN   A 15 LEU HA   HA   5UY2 2 
16  16  . . .  1 1 16 ASN H    1 1 16 ASN HA   . . . . . 1.8 2.8 30.0 A 16 ASN H    HN   A 16 ASN HA   HA   5UY2 2 
17  17  . . .  1 1 17 GLU H    1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 17 GLU H    HN   A 17 GLU HA   HA   5UY2 2 
18  18  . . .  1 1 18 HIS H    1 1 18 HIS HA   . . . . . 1.8 2.8 30.0 A 18 HIS H    HN   A 18 HIS HA   HA   5UY2 2 
19  19  . . .  1 1 19 ALA H    1 1 19 ALA HA   . . . . . 1.8 2.8 30.0 A 19 ALA H    HN   A 19 ALA HA   HA   5UY2 2 
20  20  . . .  1 1 20 HIS H    1 1 20 HIS HA   . . . . . 1.8 2.8 30.0 A 20 HIS H    HN   A 20 HIS HA   HA   5UY2 2 
21  21  . . OR 1 1 1  SER HB2  1 1 1  SER HA   . . . . . 1.8 2.8 30.0 A 1  SER HB2  HBS  A 1  SER HA   HA   5UY2 2 
22  21  . . OR 1 1 1  SER HB3  1 1 1  SER HA   . . . . . 1.8 2.8 30.0 A 1  SER HB3  HBR  A 1  SER HA   HA   5UY2 2 
23  22  . . .  1 1 1  SER HB2  1 1 1  SER HB3  . . . . . 1.8 2.8 30.0 A 1  SER HB2  HBS  A 1  SER HB3  HBR  5UY2 2 
24  23  . . OR 1 1 1  SER H    1 1 1  SER HB3  . . . . . 1.8 2.8 30.0 A 1  SER H    HN   A 1  SER HB3  HBR  5UY2 2 
25  23  . . OR 1 1 1  SER H    1 1 1  SER HB2  . . . . . 1.8 2.8 30.0 A 1  SER H    HN   A 1  SER HB2  HBS  5UY2 2 
26  24  . . OR 1 1 2  ASP H    1 1 2  ASP HB3  . . . . . 2.8 3.5 30.0 A 2  ASP H    HN   A 2  ASP HB3  HBR  5UY2 2 
27  24  . . OR 1 1 2  ASP H    1 1 2  ASP HB2  . . . . . 2.8 3.5 30.0 A 2  ASP H    HN   A 2  ASP HB2  HBS  5UY2 2 
28  25  . . OR 1 1 2  ASP HB3  1 1 2  ASP HA   . . . . . 2.8 3.5 30.0 A 2  ASP HB3  HBR  A 2  ASP HA   HA   5UY2 2 
29  25  . . OR 1 1 2  ASP HB2  1 1 2  ASP HA   . . . . . 2.8 3.5 30.0 A 2  ASP HB2  HBS  A 2  ASP HA   HA   5UY2 2 
30  26  . . .  1 1 3  THR H    1 1 3  THR HB   . . . . . 1.8 2.8 30.0 A 3  THR H    HN   A 3  THR HB   HB   5UY2 2 
31  27  . . OR 1 1 3  THR H    1 1 3  THR HG21 . . . . . 2.8 3.8 30.0 A 3  THR H    HN   A 3  THR HG21 HG2* 5UY2 2 
32  27  . . OR 1 1 3  THR H    1 1 3  THR HG22 . . . . . 2.8 3.8 30.0 A 3  THR H    HN   A 3  THR HG22 HG2* 5UY2 2 
33  27  . . OR 1 1 3  THR H    1 1 3  THR HG23 . . . . . 2.8 3.8 30.0 A 3  THR H    HN   A 3  THR HG23 HG2* 5UY2 2 
34  28  . . .  1 1 3  THR HB   1 1 3  THR HA   . . . . . 1.8 2.8 30.0 A 3  THR HB   HB   A 3  THR HA   HA   5UY2 2 
35  29  . . OR 1 1 3  THR HG21 1 1 3  THR HA   . . . . . 1.8 3.8 30.0 A 3  THR HG21 HG2* A 3  THR HA   HA   5UY2 2 
36  29  . . OR 1 1 3  THR HG22 1 1 3  THR HA   . . . . . 1.8 3.8 30.0 A 3  THR HG22 HG2* A 3  THR HA   HA   5UY2 2 
37  29  . . OR 1 1 3  THR HG23 1 1 3  THR HA   . . . . . 1.8 3.8 30.0 A 3  THR HG23 HG2* A 3  THR HA   HA   5UY2 2 
38  30  . . OR 1 1 4  ARG H    1 1 4  ARG HB2  . . . . . 2.8 4.5 30.0 A 4  ARG H    HN   A 4  ARG HB2  HB*  5UY2 2 
39  30  . . OR 1 1 4  ARG H    1 1 4  ARG HB3  . . . . . 2.8 4.5 30.0 A 4  ARG H    HN   A 4  ARG HB3  HB*  5UY2 2 
40  31  . . OR 1 1 4  ARG H    1 1 4  ARG HG2  . . . . . 1.8 3.8 30.0 A 4  ARG H    HN   A 4  ARG HG2  HG*  5UY2 2 
41  31  . . OR 1 1 4  ARG H    1 1 4  ARG HG3  . . . . . 1.8 3.8 30.0 A 4  ARG H    HN   A 4  ARG HG3  HG*  5UY2 2 
42  32  . . OR 1 1 4  ARG H    1 1 4  ARG HD2  . . . . . 1.8 3.8 30.0 A 4  ARG H    HN   A 4  ARG HD2  HD*  5UY2 2 
43  32  . . OR 1 1 4  ARG H    1 1 4  ARG HD3  . . . . . 1.8 3.8 30.0 A 4  ARG H    HN   A 4  ARG HD3  HD*  5UY2 2 
44  33  . . OR 1 1 4  ARG HD2  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HD2  HD*  A 4  ARG HA   HA   5UY2 2 
45  33  . . OR 1 1 4  ARG HD3  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HD3  HD*  A 4  ARG HA   HA   5UY2 2 
46  34  . . OR 1 1 4  ARG HB2  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HB2  HB*  A 4  ARG HA   HA   5UY2 2 
47  34  . . OR 1 1 4  ARG HB3  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HB3  HB*  A 4  ARG HA   HA   5UY2 2 
48  35  . . OR 1 1 4  ARG HG2  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HG2  HG*  A 4  ARG HA   HA   5UY2 2 
49  35  . . OR 1 1 4  ARG HG3  1 1 4  ARG HA   . . . . . 2.8 4.5 30.0 A 4  ARG HG3  HG*  A 4  ARG HA   HA   5UY2 2 
50  36  . . OR 1 1 4  ARG HD2  1 1 4  ARG HB2  . . . . . 2.8 5.5 30.0 A 4  ARG HD2  HD*  A 4  ARG HB2  HB*  5UY2 2 
51  36  . . OR 1 1 4  ARG HD2  1 1 4  ARG HB3  . . . . . 2.8 5.5 30.0 A 4  ARG HD2  HD*  A 4  ARG HB3  HB*  5UY2 2 
52  36  . . OR 1 1 4  ARG HD3  1 1 4  ARG HB2  . . . . . 2.8 5.5 30.0 A 4  ARG HD3  HD*  A 4  ARG HB2  HB*  5UY2 2 
53  36  . . OR 1 1 4  ARG HD3  1 1 4  ARG HB3  . . . . . 2.8 5.5 30.0 A 4  ARG HD3  HD*  A 4  ARG HB3  HB*  5UY2 2 
54  37  . . OR 1 1 4  ARG HD2  1 1 4  ARG HG2  . . . . . 2.8 5.5 30.0 A 4  ARG HD2  HD*  A 4  ARG HG2  HG*  5UY2 2 
55  37  . . OR 1 1 4  ARG HD2  1 1 4  ARG HG3  . . . . . 2.8 5.5 30.0 A 4  ARG HD2  HD*  A 4  ARG HG3  HG*  5UY2 2 
56  37  . . OR 1 1 4  ARG HD3  1 1 4  ARG HG2  . . . . . 2.8 5.5 30.0 A 4  ARG HD3  HD*  A 4  ARG HG2  HG*  5UY2 2 
57  37  . . OR 1 1 4  ARG HD3  1 1 4  ARG HG3  . . . . . 2.8 5.5 30.0 A 4  ARG HD3  HD*  A 4  ARG HG3  HG*  5UY2 2 
58  38  . . OR 1 1 4  ARG HB2  1 1 4  ARG HG2  . . . . . 1.8 4.8 30.0 A 4  ARG HB2  HB*  A 4  ARG HG2  HG*  5UY2 2 
59  38  . . OR 1 1 4  ARG HB2  1 1 4  ARG HG3  . . . . . 1.8 4.8 30.0 A 4  ARG HB2  HB*  A 4  ARG HG3  HG*  5UY2 2 
60  38  . . OR 1 1 4  ARG HB3  1 1 4  ARG HG2  . . . . . 1.8 4.8 30.0 A 4  ARG HB3  HB*  A 4  ARG HG2  HG*  5UY2 2 
61  38  . . OR 1 1 4  ARG HB3  1 1 4  ARG HG3  . . . . . 1.8 4.8 30.0 A 4  ARG HB3  HB*  A 4  ARG HG3  HG*  5UY2 2 
62  39  . 1 OR 1 1 4  ARG HH11 1 1 4  ARG HG2  . . . . . 1.8 6.2 30.0 A 4  ARG HH11 HH*  A 4  ARG HG2  HG*  5UY2 2 
63  39  . 2 OR 1 1 4  ARG HH11 1 1 4  ARG HG3  . . . . . 1.8 6.2 30.0 A 4  ARG HH11 HH*  A 4  ARG HG3  HG*  5UY2 2 
64  39  . 3 OR 1 1 4  ARG HH12 1 1 4  ARG HG2  . . . . . 1.8 6.2 30.0 A 4  ARG HH12 HH*  A 4  ARG HG2  HG*  5UY2 2 
65  39  . 4 OR 1 1 4  ARG HH12 1 1 4  ARG HG3  . . . . . 1.8 6.2 30.0 A 4  ARG HH12 HH*  A 4  ARG HG3  HG*  5UY2 2 
66  39  . 5 OR 1 1 4  ARG HH21 1 1 4  ARG HG2  . . . . . 1.8 6.2 30.0 A 4  ARG HH21 HH*  A 4  ARG HG2  HG*  5UY2 2 
67  39  . 6 OR 1 1 4  ARG HH21 1 1 4  ARG HG3  . . . . . 1.8 6.2 30.0 A 4  ARG HH21 HH*  A 4  ARG HG3  HG*  5UY2 2 
68  39  . 7 OR 1 1 4  ARG HH22 1 1 4  ARG HG2  . . . . . 1.8 6.2 30.0 A 4  ARG HH22 HH*  A 4  ARG HG2  HG*  5UY2 2 
69  39  . 8 OR 1 1 4  ARG HH22 1 1 4  ARG HG3  . . . . . 1.8 6.2 30.0 A 4  ARG HH22 HH*  A 4  ARG HG3  HG*  5UY2 2 
70  40  . 1 OR 1 1 4  ARG HH11 1 1 4  ARG HD2  . . . . . 1.8 6.2 30.0 A 4  ARG HH11 HH*  A 4  ARG HD2  HD*  5UY2 2 
71  40  . 2 OR 1 1 4  ARG HH11 1 1 4  ARG HD3  . . . . . 1.8 6.2 30.0 A 4  ARG HH11 HH*  A 4  ARG HD3  HD*  5UY2 2 
72  40  . 3 OR 1 1 4  ARG HH12 1 1 4  ARG HD2  . . . . . 1.8 6.2 30.0 A 4  ARG HH12 HH*  A 4  ARG HD2  HD*  5UY2 2 
73  40  . 4 OR 1 1 4  ARG HH12 1 1 4  ARG HD3  . . . . . 1.8 6.2 30.0 A 4  ARG HH12 HH*  A 4  ARG HD3  HD*  5UY2 2 
74  40  . 5 OR 1 1 4  ARG HH21 1 1 4  ARG HD2  . . . . . 1.8 6.2 30.0 A 4  ARG HH21 HH*  A 4  ARG HD2  HD*  5UY2 2 
75  40  . 6 OR 1 1 4  ARG HH21 1 1 4  ARG HD3  . . . . . 1.8 6.2 30.0 A 4  ARG HH21 HH*  A 4  ARG HD3  HD*  5UY2 2 
76  40  . 7 OR 1 1 4  ARG HH22 1 1 4  ARG HD2  . . . . . 1.8 6.2 30.0 A 4  ARG HH22 HH*  A 4  ARG HD2  HD*  5UY2 2 
77  40  . 8 OR 1 1 4  ARG HH22 1 1 4  ARG HD3  . . . . . 1.8 6.2 30.0 A 4  ARG HH22 HH*  A 4  ARG HD3  HD*  5UY2 2 
78  41  . . OR 1 1 5  TYR H    1 1 5  TYR HB2  . . . . . 2.8 3.5 30.0 A 5  TYR H    HN   A 5  TYR HB2  HBR  5UY2 2 
79  41  . . OR 1 1 5  TYR H    1 1 5  TYR HB3  . . . . . 2.8 3.5 30.0 A 5  TYR H    HN   A 5  TYR HB3  HBS  5UY2 2 
80  42  . . OR 1 1 5  TYR HB2  1 1 5  TYR HA   . . . . . 1.8 2.8 30.0 A 5  TYR HB2  HBR  A 5  TYR HA   HA   5UY2 2 
81  42  . . OR 1 1 5  TYR HB3  1 1 5  TYR HA   . . . . . 1.8 2.8 30.0 A 5  TYR HB3  HBS  A 5  TYR HA   HA   5UY2 2 
82  43  . . OR 1 1 5  TYR HD1  1 1 5  TYR HB3  . . . . . 1.8 4.8 30.0 A 5  TYR HD1  HD*  A 5  TYR HB3  HBS  5UY2 2 
83  43  . . OR 1 1 5  TYR HD2  1 1 5  TYR HB3  . . . . . 1.8 4.8 30.0 A 5  TYR HD2  HD*  A 5  TYR HB3  HBS  5UY2 2 
84  43  . . OR 1 1 5  TYR HD1  1 1 5  TYR HB2  . . . . . 1.8 4.8 30.0 A 5  TYR HD1  HD*  A 5  TYR HB2  HBR  5UY2 2 
85  43  . . OR 1 1 5  TYR HD2  1 1 5  TYR HB2  . . . . . 1.8 4.8 30.0 A 5  TYR HD2  HD*  A 5  TYR HB2  HBR  5UY2 2 
86  44  . . OR 1 1 5  TYR HD1  1 1 5  TYR HA   . . . . . 1.8 4.8 30.0 A 5  TYR HD1  HD*  A 5  TYR HA   HA   5UY2 2 
87  44  . . OR 1 1 5  TYR HD2  1 1 5  TYR HA   . . . . . 1.8 4.8 30.0 A 5  TYR HD2  HD*  A 5  TYR HA   HA   5UY2 2 
88  45  . . OR 1 1 5  TYR HD1  1 1 5  TYR HE1  . . . . . 1.8 6.8 30.0 A 5  TYR HD1  HD*  A 5  TYR HE1  HE*  5UY2 2 
89  45  . . OR 1 1 5  TYR HD1  1 1 5  TYR HE2  . . . . . 1.8 6.8 30.0 A 5  TYR HD1  HD*  A 5  TYR HE2  HE*  5UY2 2 
90  45  . . OR 1 1 5  TYR HD2  1 1 5  TYR HE1  . . . . . 1.8 6.8 30.0 A 5  TYR HD2  HD*  A 5  TYR HE1  HE*  5UY2 2 
91  45  . . OR 1 1 5  TYR HD2  1 1 5  TYR HE2  . . . . . 1.8 6.8 30.0 A 5  TYR HD2  HD*  A 5  TYR HE2  HE*  5UY2 2 
92  46  . . .  1 1 6  ASN HD22 1 1 6  ASN HA   . . . . . 1.8 2.8 30.0 A 6  ASN HD22 HD22 A 6  ASN HA   HA   5UY2 2 
93  47  . . OR 1 1 7  LYS H    1 1 7  LYS HB2  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HB2  HB*  5UY2 2 
94  47  . . OR 1 1 7  LYS H    1 1 7  LYS HB3  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HB3  HB*  5UY2 2 
95  48  . . OR 1 1 7  LYS H    1 1 7  LYS HG2  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HG2  HG*  5UY2 2 
96  48  . . OR 1 1 7  LYS H    1 1 7  LYS HG3  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HG3  HG*  5UY2 2 
97  49  . . OR 1 1 7  LYS H    1 1 7  LYS HD2  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HD2  HD*  5UY2 2 
98  49  . . OR 1 1 7  LYS H    1 1 7  LYS HD3  . . . . . 1.8 3.8 30.0 A 7  LYS H    HN   A 7  LYS HD3  HD*  5UY2 2 
99  50  . . OR 1 1 7  LYS HB2  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HB2  HB*  A 7  LYS HA   HA   5UY2 2 
100 50  . . OR 1 1 7  LYS HB3  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HB3  HB*  A 7  LYS HA   HA   5UY2 2 
101 51  . . OR 1 1 7  LYS HG2  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HG2  HG*  A 7  LYS HA   HA   5UY2 2 
102 51  . . OR 1 1 7  LYS HG3  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HG3  HG*  A 7  LYS HA   HA   5UY2 2 
103 52  . . OR 1 1 7  LYS HD2  1 1 7  LYS HA   . . . . . 2.8 3.8 30.0 A 7  LYS HD2  HD*  A 7  LYS HA   HA   5UY2 2 
104 52  . . OR 1 1 7  LYS HD3  1 1 7  LYS HA   . . . . . 2.8 3.8 30.0 A 7  LYS HD3  HD*  A 7  LYS HA   HA   5UY2 2 
105 53  . . OR 1 1 7  LYS HE2  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HE2  HE*  A 7  LYS HA   HA   5UY2 2 
106 53  . . OR 1 1 7  LYS HE3  1 1 7  LYS HA   . . . . . 1.8 3.8 30.0 A 7  LYS HE3  HE*  A 7  LYS HA   HA   5UY2 2 
107 54  . . OR 1 1 8  ASP HB2  1 1 8  ASP HA   . . . . . 1.8 2.8 30.0 A 8  ASP HB2  HBS  A 8  ASP HA   HA   5UY2 2 
108 54  . . OR 1 1 8  ASP HB3  1 1 8  ASP HA   . . . . . 1.8 2.8 30.0 A 8  ASP HB3  HBR  A 8  ASP HA   HA   5UY2 2 
109 55  . . .  1 1 8  ASP HB2  1 1 8  ASP HB3  . . . . . 1.8 2.8 30.0 A 8  ASP HB2  HBS  A 8  ASP HB3  HBR  5UY2 2 
110 56  . . OR 1 1 8  ASP H    1 1 8  ASP HB3  . . . . . 1.8 2.8 30.0 A 8  ASP H    HN   A 8  ASP HB3  HBR  5UY2 2 
111 56  . . OR 1 1 8  ASP H    1 1 8  ASP HB2  . . . . . 1.8 2.8 30.0 A 8  ASP H    HN   A 8  ASP HB2  HBS  5UY2 2 
112 57  . . OR 1 1 9  PHE H    1 1 9  PHE HB2  . . . . . 1.8 2.8 30.0 A 9  PHE H    HN   A 9  PHE HB2  HBR  5UY2 2 
113 57  . . OR 1 1 9  PHE H    1 1 9  PHE HB3  . . . . . 2.8 3.5 30.0 A 9  PHE H    HN   A 9  PHE HB3  HBS  5UY2 2 
114 58  . . OR 1 1 9  PHE HB2  1 1 9  PHE HA   . . . . . 1.8 2.8 30.0 A 9  PHE HB2  HBR  A 9  PHE HA   HA   5UY2 2 
115 58  . . OR 1 1 9  PHE HB3  1 1 9  PHE HA   . . . . . 1.8 2.8 30.0 A 9  PHE HB3  HBS  A 9  PHE HA   HA   5UY2 2 
116 59  . . OR 1 1 9  PHE HD1  1 1 9  PHE HB3  . . . . . 1.8 4.8 30.0 A 9  PHE HD1  HD*  A 9  PHE HB3  HBS  5UY2 2 
117 59  . . OR 1 1 9  PHE HD2  1 1 9  PHE HB3  . . . . . 1.8 4.8 30.0 A 9  PHE HD2  HD*  A 9  PHE HB3  HBS  5UY2 2 
118 59  . . OR 1 1 9  PHE HD1  1 1 9  PHE HB2  . . . . . 1.8 4.8 30.0 A 9  PHE HD1  HD*  A 9  PHE HB2  HBR  5UY2 2 
119 59  . . OR 1 1 9  PHE HD2  1 1 9  PHE HB2  . . . . . 1.8 4.8 30.0 A 9  PHE HD2  HD*  A 9  PHE HB2  HBR  5UY2 2 
120 60  . . OR 1 1 9  PHE HD1  1 1 9  PHE HA   . . . . . 2.8 5.5 30.0 A 9  PHE HD1  HD*  A 9  PHE HA   HA   5UY2 2 
121 60  . . OR 1 1 9  PHE HD2  1 1 9  PHE HA   . . . . . 2.8 5.5 30.0 A 9  PHE HD2  HD*  A 9  PHE HA   HA   5UY2 2 
122 61  . . OR 1 1 9  PHE HD1  1 1 9  PHE HE1  . . . . . 2.8 7.5 30.0 A 9  PHE HD1  HD*  A 9  PHE HE1  HE*  5UY2 2 
123 61  . . OR 1 1 9  PHE HD1  1 1 9  PHE HE2  . . . . . 2.8 7.5 30.0 A 9  PHE HD1  HD*  A 9  PHE HE2  HE*  5UY2 2 
124 61  . . OR 1 1 9  PHE HD2  1 1 9  PHE HE1  . . . . . 2.8 7.5 30.0 A 9  PHE HD2  HD*  A 9  PHE HE1  HE*  5UY2 2 
125 61  . . OR 1 1 9  PHE HD2  1 1 9  PHE HE2  . . . . . 2.8 7.5 30.0 A 9  PHE HD2  HD*  A 9  PHE HE2  HE*  5UY2 2 
126 62  . . .  1 1 10 ILE H    1 1 10 ILE HB   . . . . . 1.8 2.8 30.0 A 10 ILE H    HN   A 10 ILE HB   HB   5UY2 2 
127 63  . . OR 1 1 10 ILE H    1 1 10 ILE HG12 . . . . . 2.8 3.5 30.0 A 10 ILE H    HN   A 10 ILE HG12 HG1R 5UY2 2 
128 63  . . OR 1 1 10 ILE H    1 1 10 ILE HG13 . . . . . 1.8 2.8 30.0 A 10 ILE H    HN   A 10 ILE HG13 HG1S 5UY2 2 
129 64  . . OR 1 1 10 ILE H    1 1 10 ILE HD11 . . . . . 1.8 3.8 30.0 A 10 ILE H    HN   A 10 ILE HD11 HD1* 5UY2 2 
130 64  . . OR 1 1 10 ILE H    1 1 10 ILE HD12 . . . . . 1.8 3.8 30.0 A 10 ILE H    HN   A 10 ILE HD12 HD1* 5UY2 2 
131 64  . . OR 1 1 10 ILE H    1 1 10 ILE HD13 . . . . . 1.8 3.8 30.0 A 10 ILE H    HN   A 10 ILE HD13 HD1* 5UY2 2 
132 65  . . .  1 1 10 ILE HB   1 1 10 ILE HA   . . . . . 1.8 2.8 30.0 A 10 ILE HB   HB   A 10 ILE HA   HA   5UY2 2 
133 66  . . OR 1 1 10 ILE HG12 1 1 10 ILE HA   . . . . . 1.8 2.8 30.0 A 10 ILE HG12 HG1R A 10 ILE HA   HA   5UY2 2 
134 66  . . OR 1 1 10 ILE HG13 1 1 10 ILE HA   . . . . . 1.8 2.8 30.0 A 10 ILE HG13 HG1S A 10 ILE HA   HA   5UY2 2 
135 67  . . OR 1 1 10 ILE HD11 1 1 10 ILE HA   . . . . . 3.5 6.5 30.0 A 10 ILE HD11 HD1* A 10 ILE HA   HA   5UY2 2 
136 67  . . OR 1 1 10 ILE HD12 1 1 10 ILE HA   . . . . . 3.5 6.5 30.0 A 10 ILE HD12 HD1* A 10 ILE HA   HA   5UY2 2 
137 67  . . OR 1 1 10 ILE HD13 1 1 10 ILE HA   . . . . . 3.5 6.5 30.0 A 10 ILE HD13 HD1* A 10 ILE HA   HA   5UY2 2 
138 68  . . OR 1 1 10 ILE HB   1 1 10 ILE HG12 . . . . . 1.8 2.8 30.0 A 10 ILE HB   HB   A 10 ILE HG12 HG1R 5UY2 2 
139 68  . . OR 1 1 10 ILE HB   1 1 10 ILE HG13 . . . . . 1.8 2.8 30.0 A 10 ILE HB   HB   A 10 ILE HG13 HG1S 5UY2 2 
140 69  . . OR 1 1 10 ILE HB   1 1 10 ILE HD11 . . . . . 1.8 3.8 30.0 A 10 ILE HB   HB   A 10 ILE HD11 HD1* 5UY2 2 
141 69  . . OR 1 1 10 ILE HB   1 1 10 ILE HD12 . . . . . 1.8 3.8 30.0 A 10 ILE HB   HB   A 10 ILE HD12 HD1* 5UY2 2 
142 69  . . OR 1 1 10 ILE HB   1 1 10 ILE HD13 . . . . . 1.8 3.8 30.0 A 10 ILE HB   HB   A 10 ILE HD13 HD1* 5UY2 2 
143 70  . . .  1 1 10 ILE HG12 1 1 10 ILE HG13 . . . . . 1.8 2.8 30.0 A 10 ILE HG12 HG1R A 10 ILE HG13 HG1S 5UY2 2 
144 71  . . OR 1 1 10 ILE HG12 1 1 10 ILE HD11 . . . . . 1.8 3.8 30.0 A 10 ILE HG12 HG1R A 10 ILE HD11 HD1* 5UY2 2 
145 71  . . OR 1 1 10 ILE HG12 1 1 10 ILE HD12 . . . . . 1.8 3.8 30.0 A 10 ILE HG12 HG1R A 10 ILE HD12 HD1* 5UY2 2 
146 71  . . OR 1 1 10 ILE HG12 1 1 10 ILE HD13 . . . . . 1.8 3.8 30.0 A 10 ILE HG12 HG1R A 10 ILE HD13 HD1* 5UY2 2 
147 71  . . OR 1 1 10 ILE HG13 1 1 10 ILE HD11 . . . . . 1.8 3.8 30.0 A 10 ILE HG13 HG1S A 10 ILE HD11 HD1* 5UY2 2 
148 71  . . OR 1 1 10 ILE HG13 1 1 10 ILE HD12 . . . . . 1.8 3.8 30.0 A 10 ILE HG13 HG1S A 10 ILE HD12 HD1* 5UY2 2 
149 71  . . OR 1 1 10 ILE HG13 1 1 10 ILE HD13 . . . . . 1.8 3.8 30.0 A 10 ILE HG13 HG1S A 10 ILE HD13 HD1* 5UY2 2 
150 72  . . OR 1 1 11 ASN H    1 1 11 ASN HB2  . . . . . 1.8 2.8 30.0 A 11 ASN H    HN   A 11 ASN HB2  HBS  5UY2 2 
151 72  . . OR 1 1 11 ASN H    1 1 11 ASN HB3  . . . . . 2.8 3.5 30.0 A 11 ASN H    HN   A 11 ASN HB3  HBR  5UY2 2 
152 73  . . OR 1 1 11 ASN HB2  1 1 11 ASN HA   . . . . . 1.8 2.8 30.0 A 11 ASN HB2  HBS  A 11 ASN HA   HA   5UY2 2 
153 73  . . OR 1 1 11 ASN HB3  1 1 11 ASN HA   . . . . . 1.8 2.8 30.0 A 11 ASN HB3  HBR  A 11 ASN HA   HA   5UY2 2 
154 74  . . .  1 1 11 ASN HD22 1 1 11 ASN HA   . . . . . 1.8 2.8 30.0 A 11 ASN HD22 HD22 A 11 ASN HA   HA   5UY2 2 
155 75  . . OR 1 1 11 ASN HD22 1 1 11 ASN HB2  . . . . . 1.8 2.8 30.0 A 11 ASN HD22 HD22 A 11 ASN HB2  HBS  5UY2 2 
156 75  . . OR 1 1 11 ASN HD22 1 1 11 ASN HB3  . . . . . 2.8 3.5 30.0 A 11 ASN HD22 HD22 A 11 ASN HB3  HBR  5UY2 2 
157 76  . . OR 1 1 12 ASN H    1 1 12 ASN HB2  . . . . . 2.8 3.5 30.0 A 12 ASN H    HN   A 12 ASN HB2  HBS  5UY2 2 
158 76  . . OR 1 1 12 ASN H    1 1 12 ASN HB3  . . . . . 2.8 3.5 30.0 A 12 ASN H    HN   A 12 ASN HB3  HBR  5UY2 2 
159 77  . . OR 1 1 12 ASN HB2  1 1 12 ASN HA   . . . . . 1.8 2.8 30.0 A 12 ASN HB2  HBS  A 12 ASN HA   HA   5UY2 2 
160 77  . . OR 1 1 12 ASN HB3  1 1 12 ASN HA   . . . . . 1.8 2.8 30.0 A 12 ASN HB3  HBR  A 12 ASN HA   HA   5UY2 2 
161 78  . . .  1 1 12 ASN HD22 1 1 12 ASN HA   . . . . . 1.8 2.8 30.0 A 12 ASN HD22 HD22 A 12 ASN HA   HA   5UY2 2 
162 79  . . OR 1 1 12 ASN HD22 1 1 12 ASN HB2  . . . . . 1.8 2.8 30.0 A 12 ASN HD22 HD22 A 12 ASN HB2  HBS  5UY2 2 
163 79  . . OR 1 1 12 ASN HD22 1 1 12 ASN HB3  . . . . . 1.8 2.8 30.0 A 12 ASN HD22 HD22 A 12 ASN HB3  HBR  5UY2 2 
164 80  . . OR 1 1 13 LYS H    1 1 13 LYS HB2  . . . . . 1.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HB2  HB*  5UY2 2 
165 80  . . OR 1 1 13 LYS H    1 1 13 LYS HB3  . . . . . 1.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HB3  HB*  5UY2 2 
166 81  . . OR 1 1 13 LYS H    1 1 13 LYS HG2  . . . . . 2.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HG2  HG*  5UY2 2 
167 81  . . OR 1 1 13 LYS H    1 1 13 LYS HG3  . . . . . 2.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HG3  HG*  5UY2 2 
168 82  . . OR 1 1 13 LYS H    1 1 13 LYS HD2  . . . . . 2.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HD2  HD*  5UY2 2 
169 82  . . OR 1 1 13 LYS H    1 1 13 LYS HD3  . . . . . 2.8 3.8 30.0 A 13 LYS H    HN   A 13 LYS HD3  HD*  5UY2 2 
170 83  . . OR 1 1 13 LYS HB2  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HB2  HB*  A 13 LYS HA   HA   5UY2 2 
171 83  . . OR 1 1 13 LYS HB3  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HB3  HB*  A 13 LYS HA   HA   5UY2 2 
172 84  . . OR 1 1 13 LYS HG2  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HG2  HG*  A 13 LYS HA   HA   5UY2 2 
173 84  . . OR 1 1 13 LYS HG3  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HG3  HG*  A 13 LYS HA   HA   5UY2 2 
174 85  . . OR 1 1 13 LYS HD2  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HD2  HD*  A 13 LYS HA   HA   5UY2 2 
175 85  . . OR 1 1 13 LYS HD3  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HD3  HD*  A 13 LYS HA   HA   5UY2 2 
176 86  . . OR 1 1 13 LYS HE2  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HE2  HE*  A 13 LYS HA   HA   5UY2 2 
177 86  . . OR 1 1 13 LYS HE3  1 1 13 LYS HA   . . . . . 1.8 3.8 30.0 A 13 LYS HE3  HE*  A 13 LYS HA   HA   5UY2 2 
178 87  . . OR 1 1 15 LEU H    1 1 15 LEU HB2  . . . . . 1.8 3.8 30.0 A 15 LEU H    HN   A 15 LEU HB2  HB*  5UY2 2 
179 87  . . OR 1 1 15 LEU H    1 1 15 LEU HB3  . . . . . 1.8 3.8 30.0 A 15 LEU H    HN   A 15 LEU HB3  HB*  5UY2 2 
180 88  . . .  1 1 15 LEU H    1 1 15 LEU HG   . . . . . 2.8 3.5 30.0 A 15 LEU H    HN   A 15 LEU HG   HG   5UY2 2 
181 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD11 . . . . . 2.8 4.5 30.0 A 15 LEU H    HN   A 15 LEU HD11 HDR* 5UY2 2 
182 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD12 . . . . . 2.8 4.5 30.0 A 15 LEU H    HN   A 15 LEU HD12 HDR* 5UY2 2 
183 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD13 . . . . . 2.8 4.5 30.0 A 15 LEU H    HN   A 15 LEU HD13 HDR* 5UY2 2 
184 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD21 . . . . . 3.5 5.5 30.0 A 15 LEU H    HN   A 15 LEU HD21 HDS* 5UY2 2 
185 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD22 . . . . . 3.5 5.5 30.0 A 15 LEU H    HN   A 15 LEU HD22 HDS* 5UY2 2 
186 89  . . OR 1 1 15 LEU H    1 1 15 LEU HD23 . . . . . 3.5 5.5 30.0 A 15 LEU H    HN   A 15 LEU HD23 HDS* 5UY2 2 
187 90  . . OR 1 1 15 LEU HB2  1 1 15 LEU HA   . . . . . 1.8 3.8 30.0 A 15 LEU HB2  HB*  A 15 LEU HA   HA   5UY2 2 
188 90  . . OR 1 1 15 LEU HB3  1 1 15 LEU HA   . . . . . 1.8 3.8 30.0 A 15 LEU HB3  HB*  A 15 LEU HA   HA   5UY2 2 
189 91  . . .  1 1 15 LEU HG   1 1 15 LEU HA   . . . . . 2.8 3.5 30.0 A 15 LEU HG   HG   A 15 LEU HA   HA   5UY2 2 
190 92  . . OR 1 1 15 LEU HD11 1 1 15 LEU HA   . . . . . 3.5 4.5 30.0 A 15 LEU HD11 HDR* A 15 LEU HA   HA   5UY2 2 
191 92  . . OR 1 1 15 LEU HD12 1 1 15 LEU HA   . . . . . 3.5 4.5 30.0 A 15 LEU HD12 HDR* A 15 LEU HA   HA   5UY2 2 
192 92  . . OR 1 1 15 LEU HD13 1 1 15 LEU HA   . . . . . 3.5 4.5 30.0 A 15 LEU HD13 HDR* A 15 LEU HA   HA   5UY2 2 
193 92  . . OR 1 1 15 LEU HD21 1 1 15 LEU HA   . . . . . 3.5 5.5 30.0 A 15 LEU HD21 HDS* A 15 LEU HA   HA   5UY2 2 
194 92  . . OR 1 1 15 LEU HD22 1 1 15 LEU HA   . . . . . 3.5 5.5 30.0 A 15 LEU HD22 HDS* A 15 LEU HA   HA   5UY2 2 
195 92  . . OR 1 1 15 LEU HD23 1 1 15 LEU HA   . . . . . 3.5 5.5 30.0 A 15 LEU HD23 HDS* A 15 LEU HA   HA   5UY2 2 
196 93  . . OR 1 1 15 LEU HB2  1 1 15 LEU HG   . . . . . 2.8 4.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HG   HG   5UY2 2 
197 93  . . OR 1 1 15 LEU HB3  1 1 15 LEU HG   . . . . . 2.8 4.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HG   HG   5UY2 2 
198 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD11 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD11 HDR* 5UY2 2 
199 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD12 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD12 HDR* 5UY2 2 
200 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD13 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD13 HDR* 5UY2 2 
201 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD11 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD11 HDR* 5UY2 2 
202 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD12 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD12 HDR* 5UY2 2 
203 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD13 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD13 HDR* 5UY2 2 
204 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD21 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD21 HDS* 5UY2 2 
205 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD22 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD22 HDS* 5UY2 2 
206 94  . . OR 1 1 15 LEU HB2  1 1 15 LEU HD23 . . . . . 2.8 5.5 30.0 A 15 LEU HB2  HB*  A 15 LEU HD23 HDS* 5UY2 2 
207 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD21 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD21 HDS* 5UY2 2 
208 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD22 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD22 HDS* 5UY2 2 
209 94  . . OR 1 1 15 LEU HB3  1 1 15 LEU HD23 . . . . . 2.8 5.5 30.0 A 15 LEU HB3  HB*  A 15 LEU HD23 HDS* 5UY2 2 
210 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD11 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD11 HDR* 5UY2 2 
211 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD12 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD12 HDR* 5UY2 2 
212 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD13 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD13 HDR* 5UY2 2 
213 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD21 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD21 HDS* 5UY2 2 
214 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD22 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD22 HDS* 5UY2 2 
215 95  . . OR 1 1 15 LEU HG   1 1 15 LEU HD23 . . . . . 2.8 4.5 30.0 A 15 LEU HG   HG   A 15 LEU HD23 HDS* 5UY2 2 
216 96  . . OR 1 1 15 LEU HD21 1 1 15 LEU HD11 . . . . . 2.8 5.5 30.0 A 15 LEU HD21 HDS* A 15 LEU HD11 HDR* 5UY2 2 
217 96  . . OR 1 1 15 LEU HD21 1 1 15 LEU HD12 . . . . . 2.8 5.5 30.0 A 15 LEU HD21 HDS* A 15 LEU HD12 HDR* 5UY2 2 
218 96  . . OR 1 1 15 LEU HD21 1 1 15 LEU HD13 . . . . . 2.8 5.5 30.0 A 15 LEU HD21 HDS* A 15 LEU HD13 HDR* 5UY2 2 
219 96  . . OR 1 1 15 LEU HD22 1 1 15 LEU HD11 . . . . . 2.8 5.5 30.0 A 15 LEU HD22 HDS* A 15 LEU HD11 HDR* 5UY2 2 
220 96  . . OR 1 1 15 LEU HD22 1 1 15 LEU HD12 . . . . . 2.8 5.5 30.0 A 15 LEU HD22 HDS* A 15 LEU HD12 HDR* 5UY2 2 
221 96  . . OR 1 1 15 LEU HD22 1 1 15 LEU HD13 . . . . . 2.8 5.5 30.0 A 15 LEU HD22 HDS* A 15 LEU HD13 HDR* 5UY2 2 
222 96  . . OR 1 1 15 LEU HD23 1 1 15 LEU HD11 . . . . . 2.8 5.5 30.0 A 15 LEU HD23 HDS* A 15 LEU HD11 HDR* 5UY2 2 
223 96  . . OR 1 1 15 LEU HD23 1 1 15 LEU HD12 . . . . . 2.8 5.5 30.0 A 15 LEU HD23 HDS* A 15 LEU HD12 HDR* 5UY2 2 
224 96  . . OR 1 1 15 LEU HD23 1 1 15 LEU HD13 . . . . . 2.8 5.5 30.0 A 15 LEU HD23 HDS* A 15 LEU HD13 HDR* 5UY2 2 
225 97  . . OR 1 1 16 ASN H    1 1 16 ASN HB2  . . . . . 1.8 2.8 30.0 A 16 ASN H    HN   A 16 ASN HB2  HBS  5UY2 2 
226 97  . . OR 1 1 16 ASN H    1 1 16 ASN HB3  . . . . . 2.8 3.5 30.0 A 16 ASN H    HN   A 16 ASN HB3  HBR  5UY2 2 
227 98  . . OR 1 1 16 ASN HB2  1 1 16 ASN HA   . . . . . 1.8 2.8 30.0 A 16 ASN HB2  HBS  A 16 ASN HA   HA   5UY2 2 
228 98  . . OR 1 1 16 ASN HB3  1 1 16 ASN HA   . . . . . 1.8 2.8 30.0 A 16 ASN HB3  HBR  A 16 ASN HA   HA   5UY2 2 
229 99  . . .  1 1 16 ASN HD22 1 1 16 ASN HA   . . . . . 1.8 2.8 30.0 A 16 ASN HD22 HD22 A 16 ASN HA   HA   5UY2 2 
230 100 . . OR 1 1 16 ASN HD22 1 1 16 ASN HB2  . . . . . 1.8 2.8 30.0 A 16 ASN HD22 HD22 A 16 ASN HB2  HBS  5UY2 2 
231 100 . . OR 1 1 16 ASN HD22 1 1 16 ASN HB3  . . . . . 1.8 2.8 30.0 A 16 ASN HD22 HD22 A 16 ASN HB3  HBR  5UY2 2 
232 101 . . OR 1 1 17 GLU H    1 1 17 GLU HB2  . . . . . 2.8 3.5 30.0 A 17 GLU H    HN   A 17 GLU HB2  HBR  5UY2 2 
233 101 . . OR 1 1 17 GLU H    1 1 17 GLU HB3  . . . . . 2.8 3.5 30.0 A 17 GLU H    HN   A 17 GLU HB3  HBS  5UY2 2 
234 102 . . OR 1 1 17 GLU H    1 1 17 GLU HG2  . . . . . 1.8 2.8 30.0 A 17 GLU H    HN   A 17 GLU HG2  HGS  5UY2 2 
235 102 . . OR 1 1 17 GLU H    1 1 17 GLU HG3  . . . . . 1.8 2.8 30.0 A 17 GLU H    HN   A 17 GLU HG3  HGR  5UY2 2 
236 103 . . OR 1 1 17 GLU HB2  1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 17 GLU HB2  HBR  A 17 GLU HA   HA   5UY2 2 
237 103 . . OR 1 1 17 GLU HB3  1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 17 GLU HB3  HBS  A 17 GLU HA   HA   5UY2 2 
238 104 . . OR 1 1 17 GLU HG2  1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 17 GLU HG2  HGS  A 17 GLU HA   HA   5UY2 2 
239 104 . . OR 1 1 17 GLU HG3  1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 17 GLU HG3  HGR  A 17 GLU HA   HA   5UY2 2 
240 105 . . OR 1 1 18 HIS H    1 1 18 HIS HB2  . . . . . 1.8 2.8 30.0 A 18 HIS H    HN   A 18 HIS HB2  HBS  5UY2 2 
241 105 . . OR 1 1 18 HIS H    1 1 18 HIS HB3  . . . . . 2.8 3.5 30.0 A 18 HIS H    HN   A 18 HIS HB3  HBR  5UY2 2 
242 106 . . OR 1 1 18 HIS HB2  1 1 18 HIS HD2  . . . . . 1.8 2.8 30.0 A 18 HIS HB2  HBS  A 18 HIS HD2  HD2  5UY2 2 
243 106 . . OR 1 1 18 HIS HB3  1 1 18 HIS HD2  . . . . . 1.8 2.8 30.0 A 18 HIS HB3  HBR  A 18 HIS HD2  HD2  5UY2 2 
244 107 . . OR 1 1 19 ALA H    1 1 19 ALA HB1  . . . . . 1.8 3.8 30.0 A 19 ALA H    HN   A 19 ALA HB1  HB*  5UY2 2 
245 107 . . OR 1 1 19 ALA H    1 1 19 ALA HB2  . . . . . 1.8 3.8 30.0 A 19 ALA H    HN   A 19 ALA HB2  HB*  5UY2 2 
246 107 . . OR 1 1 19 ALA H    1 1 19 ALA HB3  . . . . . 1.8 3.8 30.0 A 19 ALA H    HN   A 19 ALA HB3  HB*  5UY2 2 
247 108 . . OR 1 1 20 HIS H    1 1 20 HIS HB2  . . . . . 1.8 2.8 30.0 A 20 HIS H    HN   A 20 HIS HB2  HBS  5UY2 2 
248 108 . . OR 1 1 20 HIS H    1 1 20 HIS HB3  . . . . . 1.8 2.8 30.0 A 20 HIS H    HN   A 20 HIS HB3  HBR  5UY2 2 
249 109 . . OR 1 1 20 HIS HB2  1 1 20 HIS HD2  . . . . . 1.8 2.8 30.0 A 20 HIS HB2  HBS  A 20 HIS HD2  HD2  5UY2 2 
250 109 . . OR 1 1 20 HIS HB3  1 1 20 HIS HD2  . . . . . 1.8 2.8 30.0 A 20 HIS HB3  HBR  A 20 HIS HD2  HD2  5UY2 2 
251 110 . . .  1 1 1  SER H    1 1 2  ASP H    . . . . . 1.8 2.8 30.0 A 1  SER H    HN   A 2  ASP H    HN   5UY2 2 
252 111 . . .  1 1 2  ASP H    1 1 3  THR H    . . . . . 1.8 2.8 30.0 A 2  ASP H    HN   A 3  THR H    HN   5UY2 2 
253 112 . . .  1 1 3  THR H    1 1 4  ARG H    . . . . . 2.8 3.5 30.0 A 3  THR H    HN   A 4  ARG H    HN   5UY2 2 
254 113 . . .  1 1 4  ARG H    1 1 5  TYR H    . . . . . 1.8 2.8 30.0 A 4  ARG H    HN   A 5  TYR H    HN   5UY2 2 
255 114 . . .  1 1 5  TYR H    1 1 6  ASN H    . . . . . 1.8 2.8 30.0 A 5  TYR H    HN   A 6  ASN H    HN   5UY2 2 
256 115 . . .  1 1 6  ASN H    1 1 7  LYS H    . . . . . 1.8 2.8 30.0 A 6  ASN H    HN   A 7  LYS H    HN   5UY2 2 
257 116 . . .  1 1 7  LYS H    1 1 8  ASP H    . . . . . 2.8 3.5 30.0 A 7  LYS H    HN   A 8  ASP H    HN   5UY2 2 
258 117 . . .  1 1 8  ASP H    1 1 9  PHE H    . . . . . 1.8 2.8 30.0 A 8  ASP H    HN   A 9  PHE H    HN   5UY2 2 
259 118 . . .  1 1 9  PHE H    1 1 10 ILE H    . . . . . 2.8 3.5 30.0 A 9  PHE H    HN   A 10 ILE H    HN   5UY2 2 
260 119 . . .  1 1 10 ILE H    1 1 11 ASN H    . . . . . 2.8 3.5 30.0 A 10 ILE H    HN   A 11 ASN H    HN   5UY2 2 
261 120 . . .  1 1 11 ASN H    1 1 12 ASN H    . . . . . 2.8 3.5 30.0 A 11 ASN H    HN   A 12 ASN H    HN   5UY2 2 
262 121 . . .  1 1 12 ASN H    1 1 13 LYS H    . . . . . 1.8 2.8 30.0 A 12 ASN H    HN   A 13 LYS H    HN   5UY2 2 
263 122 . . .  1 1 13 LYS H    1 1 14 HIS H    . . . . . 1.8 2.8 30.0 A 13 LYS H    HN   A 14 HIS H    HN   5UY2 2 
264 123 . . .  1 1 14 HIS H    1 1 15 LEU H    . . . . . 2.8 3.5 30.0 A 14 HIS H    HN   A 15 LEU H    HN   5UY2 2 
265 124 . . .  1 1 15 LEU H    1 1 16 ASN H    . . . . . 2.8 3.5 30.0 A 15 LEU H    HN   A 16 ASN H    HN   5UY2 2 
266 125 . . .  1 1 16 ASN H    1 1 17 GLU H    . . . . . 2.8 3.5 30.0 A 16 ASN H    HN   A 17 GLU H    HN   5UY2 2 
267 126 . . .  1 1 17 GLU H    1 1 18 HIS H    . . . . . 2.8 3.5 30.0 A 17 GLU H    HN   A 18 HIS H    HN   5UY2 2 
268 127 . . .  1 1 18 HIS H    1 1 19 ALA H    . . . . . 2.8 3.5 30.0 A 18 HIS H    HN   A 19 ALA H    HN   5UY2 2 
269 128 . . .  1 1 19 ALA H    1 1 20 HIS H    . . . . . 2.8 3.5 30.0 A 19 ALA H    HN   A 20 HIS H    HN   5UY2 2 
270 129 . . .  1 1 2  ASP H    1 1 1  SER HA   . . . . . 1.8 2.8 30.0 A 2  ASP H    HN   A 1  SER HA   HA   5UY2 2 
271 130 . . .  1 1 3  THR H    1 1 2  ASP HA   . . . . . 1.8 2.8 30.0 A 3  THR H    HN   A 2  ASP HA   HA   5UY2 2 
272 131 . . .  1 1 4  ARG H    1 1 3  THR HA   . . . . . 2.8 3.5 30.0 A 4  ARG H    HN   A 3  THR HA   HA   5UY2 2 
273 132 . . .  1 1 5  TYR H    1 1 4  ARG HA   . . . . . 2.8 3.5 30.0 A 5  TYR H    HN   A 4  ARG HA   HA   5UY2 2 
274 133 . . .  1 1 6  ASN H    1 1 5  TYR HA   . . . . . 2.8 3.5 30.0 A 6  ASN H    HN   A 5  TYR HA   HA   5UY2 2 
275 134 . . .  1 1 7  LYS H    1 1 6  ASN HA   . . . . . 2.8 3.5 30.0 A 7  LYS H    HN   A 6  ASN HA   HA   5UY2 2 
276 135 . . .  1 1 8  ASP H    1 1 7  LYS HA   . . . . . 2.8 3.5 30.0 A 8  ASP H    HN   A 7  LYS HA   HA   5UY2 2 
277 136 . . .  1 1 9  PHE H    1 1 8  ASP HA   . . . . . 2.8 3.5 30.0 A 9  PHE H    HN   A 8  ASP HA   HA   5UY2 2 
278 137 . . .  1 1 10 ILE H    1 1 9  PHE HA   . . . . . 3.5 5.5 30.0 A 10 ILE H    HN   A 9  PHE HA   HA   5UY2 2 
279 138 . . .  1 1 11 ASN H    1 1 10 ILE HA   . . . . . 1.8 2.8 30.0 A 11 ASN H    HN   A 10 ILE HA   HA   5UY2 2 
280 139 . . .  1 1 12 ASN H    1 1 11 ASN HA   . . . . . 3.5 5.5 30.0 A 12 ASN H    HN   A 11 ASN HA   HA   5UY2 2 
281 140 . . .  1 1 13 LYS H    1 1 12 ASN HA   . . . . . 1.8 2.8 30.0 A 13 LYS H    HN   A 12 ASN HA   HA   5UY2 2 
282 141 . . .  1 1 14 HIS H    1 1 13 LYS HA   . . . . . 1.8 2.8 30.0 A 14 HIS H    HN   A 13 LYS HA   HA   5UY2 2 
283 142 . . .  1 1 15 LEU H    1 1 14 HIS HA   . . . . . 1.8 2.8 30.0 A 15 LEU H    HN   A 14 HIS HA   HA   5UY2 2 
284 143 . . .  1 1 16 ASN H    1 1 15 LEU HA   . . . . . 1.8 2.8 30.0 A 16 ASN H    HN   A 15 LEU HA   HA   5UY2 2 
285 144 . . .  1 1 17 GLU H    1 1 16 ASN HA   . . . . . 1.8 2.8 30.0 A 17 GLU H    HN   A 16 ASN HA   HA   5UY2 2 
286 145 . . .  1 1 18 HIS H    1 1 17 GLU HA   . . . . . 1.8 2.8 30.0 A 18 HIS H    HN   A 17 GLU HA   HA   5UY2 2 
287 146 . . .  1 1 19 ALA H    1 1 18 HIS HA   . . . . . 1.8 2.8 30.0 A 19 ALA H    HN   A 18 HIS HA   HA   5UY2 2 
288 147 . . .  1 1 20 HIS H    1 1 19 ALA HA   . . . . . 1.8 2.8 30.0 A 20 HIS H    HN   A 19 ALA HA   HA   5UY2 2 
289 148 . . .  1 1 5  TYR H    1 1 3  THR HA   . . . . . 3.5 5.5 30.0 A 5  TYR H    HN   A 3  THR HA   HA   5UY2 2 
290 149 . . .  1 1 6  ASN H    1 1 4  ARG HA   . . . . . 3.5 5.5 30.0 A 6  ASN H    HN   A 4  ARG HA   HA   5UY2 2 
291 150 . . .  1 1 7  LYS H    1 1 5  TYR HA   . . . . . 3.5 5.5 30.0 A 7  LYS H    HN   A 5  TYR HA   HA   5UY2 2 
292 151 . . .  1 1 9  PHE H    1 1 7  LYS HA   . . . . . 3.5 5.5 30.0 A 9  PHE H    HN   A 7  LYS HA   HA   5UY2 2 
293 152 . . .  1 1 10 ILE H    1 1 8  ASP HA   . . . . . 3.5 5.5 30.0 A 10 ILE H    HN   A 8  ASP HA   HA   5UY2 2 
294 153 . . .  1 1 12 ASN H    1 1 10 ILE HA   . . . . . 3.5 5.5 30.0 A 12 ASN H    HN   A 10 ILE HA   HA   5UY2 2 
295 154 . . .  1 1 13 LYS H    1 1 11 ASN HA   . . . . . 3.5 5.5 30.0 A 13 LYS H    HN   A 11 ASN HA   HA   5UY2 2 
296 155 . . .  1 1 14 HIS H    1 1 12 ASN HA   . . . . . 3.5 5.5 30.0 A 14 HIS H    HN   A 12 ASN HA   HA   5UY2 2 
297 156 . . .  1 1 10 ILE H    1 1 7  LYS HA   . . . . . 2.8 3.5 30.0 A 10 ILE H    HN   A 7  LYS HA   HA   5UY2 2 
298 157 . . .  1 1 13 LYS H    1 1 10 ILE HA   . . . . . 3.5 5.5 30.0 A 13 LYS H    HN   A 10 ILE HA   HA   5UY2 2 
299 158 . . .  1 1 16 ASN H    1 1 13 LYS HA   . . . . . 3.5 4.5 30.0 A 16 ASN H    HN   A 13 LYS HA   HA   5UY2 2 
300 159 . . .  1 1 17 GLU H    1 1 14 HIS HA   . . . . . 3.5 5.5 30.0 A 17 GLU H    HN   A 14 HIS HA   HA   5UY2 2 
301 160 . . .  1 1 18 HIS H    1 1 15 LEU HA   . . . . . 3.5 5.5 30.0 A 18 HIS H    HN   A 15 LEU HA   HA   5UY2 2 
302 161 . . .  1 1 15 LEU H    1 1 12 ASN HA   . . . . . 3.5 5.5 30.0 A 15 LEU H    HN   A 12 ASN HA   HA   5UY2 2 
303 162 . . .  1 1 7  LYS H    1 1 3  THR HA   . . . . . 3.5 5.5 30.0 A 7  LYS H    HN   A 3  THR HA   HA   5UY2 2 
304 163 . . .  1 1 8  ASP H    1 1 4  ARG HA   . . . . . 3.5 5.5 30.0 A 8  ASP H    HN   A 4  ARG HA   HA   5UY2 2 
305 164 . . .  1 1 11 ASN H    1 1 7  LYS HA   . . . . . 3.5 5.5 30.0 A 11 ASN H    HN   A 7  LYS HA   HA   5UY2 2 
306 165 . . .  1 1 14 HIS H    1 1 10 ILE HA   . . . . . 3.5 5.5 30.0 A 14 HIS H    HN   A 10 ILE HA   HA   5UY2 2 
307 166 . . .  1 1 12 ASN H    1 1 8  ASP HA   . . . . . 3.5 5.5 30.0 A 12 ASN H    HN   A 8  ASP HA   HA   5UY2 2 
308 167 . . .  1 1 13 LYS H    1 1 9  PHE HA   . . . . . 3.5 5.5 30.0 A 13 LYS H    HN   A 9  PHE HA   HA   5UY2 2 
309 168 . . .  1 1 16 ASN H    1 1 12 ASN HA   . . . . . 3.5 5.0 30.0 A 16 ASN H    HN   A 12 ASN HA   HA   5UY2 2 
310 169 . . .  1 1 19 ALA H    1 1 15 LEU HA   . . . . . 3.5 5.0 30.0 A 19 ALA H    HN   A 15 LEU HA   HA   5UY2 2 
311 170 . . .  1 1 15 LEU H    1 1 11 ASN HA   . . . . . 3.5 5.0 30.0 A 15 LEU H    HN   A 11 ASN HA   HA   5UY2 2 
312 171 . . OR 1 1 7  LYS HB2  1 1 10 ILE HA   . . . . . 3.5 6.5 30.0 A 7  LYS HB2  HB*  A 10 ILE HA   HA   5UY2 2 
313 171 . . OR 1 1 7  LYS HB3  1 1 10 ILE HA   . . . . . 3.5 6.5 30.0 A 7  LYS HB3  HB*  A 10 ILE HA   HA   5UY2 2 
314 172 . . OR 1 1 14 HIS HB2  1 1 17 GLU HA   . . . . . 2.8 4.5 30.0 A 14 HIS HB2  HB*  A 17 GLU HA   HA   5UY2 2 
315 172 . . OR 1 1 14 HIS HB3  1 1 17 GLU HA   . . . . . 2.8 4.5 30.0 A 14 HIS HB3  HB*  A 17 GLU HA   HA   5UY2 2 
316 173 . . OR 1 1 9  PHE HA   1 1 6  ASN HB2  . . . . . 3.5 6.5 30.0 A 9  PHE HA   HA   A 6  ASN HB2  HB*  5UY2 2 
317 173 . . OR 1 1 9  PHE HA   1 1 6  ASN HB3  . . . . . 3.5 6.5 30.0 A 9  PHE HA   HA   A 6  ASN HB3  HB*  5UY2 2 
318 174 . . OR 1 1 18 HIS HA   1 1 15 LEU HB2  . . . . . 2.8 4.5 30.0 A 18 HIS HA   HA   A 15 LEU HB2  HB*  5UY2 2 
319 174 . . OR 1 1 18 HIS HA   1 1 15 LEU HB3  . . . . . 2.8 4.5 30.0 A 18 HIS HA   HA   A 15 LEU HB3  HB*  5UY2 2 
320 175 . . OR 1 1 6  ASN HA   1 1 3  THR HG21 . . . . . 3.5 6.5 30.0 A 6  ASN HA   HA   A 3  THR HG21 HG2* 5UY2 2 
321 175 . . OR 1 1 6  ASN HA   1 1 3  THR HG22 . . . . . 3.5 6.5 30.0 A 6  ASN HA   HA   A 3  THR HG22 HG2* 5UY2 2 
322 175 . . OR 1 1 6  ASN HA   1 1 3  THR HG23 . . . . . 3.5 6.5 30.0 A 6  ASN HA   HA   A 3  THR HG23 HG2* 5UY2 2 
stop_
save_
save_BIOSYM_dihedral_angle_restraints_1
# 
_Torsion_angle_constraint_list.Sf_category          torsion_angle_constraints 
_Torsion_angle_constraint_list.Sf_framecode         BIOSYM_dihedral_angle_restraints_1 
_Torsion_angle_constraint_list.Entry_ID             5UY2 
_Torsion_angle_constraint_list.ID                   1 
_Torsion_angle_constraint_list.Data_file_name       38145.rstrnt 
_Torsion_angle_constraint_list.Constraint_file_ID   1 
_Torsion_angle_constraint_list.Potential_type       square-well-parabolic 
_Torsion_angle_constraint_list.Constraint_type      'backbone chemical shifts' 
_Torsion_angle_constraint_list.Block_ID             3 
# 
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  . OMEGA 1 1 1  SER CA 1 1 1  SER C 1 1 2  ASP N 1 1 2  ASP CA 178.0 180.0 . . . . 500.0 A 1  SER CA CA A 1  SER C C A 2  ASP N N A 2  ASP CA CA 5UY2 1 
2  2  . OMEGA 1 1 2  ASP CA 1 1 2  ASP C 1 1 3  THR N 1 1 3  THR CA 178.0 180.0 . . . . 500.0 A 2  ASP CA CA A 2  ASP C C A 3  THR N N A 3  THR CA CA 5UY2 1 
3  3  . OMEGA 1 1 3  THR CA 1 1 3  THR C 1 1 4  ARG N 1 1 4  ARG CA 178.0 180.0 . . . . 500.0 A 3  THR CA CA A 3  THR C C A 4  ARG N N A 4  ARG CA CA 5UY2 1 
4  4  . OMEGA 1 1 4  ARG CA 1 1 4  ARG C 1 1 5  TYR N 1 1 5  TYR CA 178.0 180.0 . . . . 500.0 A 4  ARG CA CA A 4  ARG C C A 5  TYR N N A 5  TYR CA CA 5UY2 1 
5  5  . OMEGA 1 1 5  TYR CA 1 1 5  TYR C 1 1 6  ASN N 1 1 6  ASN CA 178.0 180.0 . . . . 500.0 A 5  TYR CA CA A 5  TYR C C A 6  ASN N N A 6  ASN CA CA 5UY2 1 
6  6  . OMEGA 1 1 6  ASN CA 1 1 6  ASN C 1 1 7  LYS N 1 1 7  LYS CA 178.0 180.0 . . . . 500.0 A 6  ASN CA CA A 6  ASN C C A 7  LYS N N A 7  LYS CA CA 5UY2 1 
7  7  . OMEGA 1 1 7  LYS CA 1 1 7  LYS C 1 1 8  ASP N 1 1 8  ASP CA 178.0 180.0 . . . . 500.0 A 7  LYS CA CA A 7  LYS C C A 8  ASP N N A 8  ASP CA CA 5UY2 1 
8  8  . OMEGA 1 1 8  ASP CA 1 1 8  ASP C 1 1 9  PHE N 1 1 9  PHE CA 178.0 180.0 . . . . 500.0 A 8  ASP CA CA A 8  ASP C C A 9  PHE N N A 9  PHE CA CA 5UY2 1 
9  9  . OMEGA 1 1 9  PHE CA 1 1 9  PHE C 1 1 10 ILE N 1 1 10 ILE CA 178.0 180.0 . . . . 500.0 A 9  PHE CA CA A 9  PHE C C A 10 ILE N N A 10 ILE CA CA 5UY2 1 
10 10 . OMEGA 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 ASN N 1 1 11 ASN CA 178.0 180.0 . . . . 500.0 A 10 ILE CA CA A 10 ILE C C A 11 ASN N N A 11 ASN CA CA 5UY2 1 
11 11 . OMEGA 1 1 11 ASN CA 1 1 11 ASN C 1 1 12 ASN N 1 1 12 ASN CA 178.0 180.0 . . . . 500.0 A 11 ASN CA CA A 11 ASN C C A 12 ASN N N A 12 ASN CA CA 5UY2 1 
12 12 . OMEGA 1 1 12 ASN CA 1 1 12 ASN C 1 1 13 LYS N 1 1 13 LYS CA 178.0 180.0 . . . . 500.0 A 12 ASN CA CA A 12 ASN C C A 13 LYS N N A 13 LYS CA CA 5UY2 1 
13 13 . OMEGA 1 1 13 LYS CA 1 1 13 LYS C 1 1 14 HIS N 1 1 14 HIS CA 178.0 180.0 . . . . 500.0 A 13 LYS CA CA A 13 LYS C C A 14 HIS N N A 14 HIS CA CA 5UY2 1 
14 14 . OMEGA 1 1 14 HIS CA 1 1 14 HIS C 1 1 15 LEU N 1 1 15 LEU CA 178.0 180.0 . . . . 500.0 A 14 HIS CA CA A 14 HIS C C A 15 LEU N N A 15 LEU CA CA 5UY2 1 
15 15 . OMEGA 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 ASN N 1 1 16 ASN CA 178.0 180.0 . . . . 500.0 A 15 LEU CA CA A 15 LEU C C A 16 ASN N N A 16 ASN CA CA 5UY2 1 
16 16 . OMEGA 1 1 16 ASN CA 1 1 16 ASN C 1 1 17 GLU N 1 1 17 GLU CA 178.0 180.0 . . . . 500.0 A 16 ASN CA CA A 16 ASN C C A 17 GLU N N A 17 GLU CA CA 5UY2 1 
17 17 . OMEGA 1 1 17 GLU CA 1 1 17 GLU C 1 1 18 HIS N 1 1 18 HIS CA 178.0 180.0 . . . . 500.0 A 17 GLU CA CA A 17 GLU C C A 18 HIS N N A 18 HIS CA CA 5UY2 1 
18 18 . OMEGA 1 1 18 HIS CA 1 1 18 HIS C 1 1 19 ALA N 1 1 19 ALA CA 178.0 180.0 . . . . 500.0 A 18 HIS CA CA A 18 HIS C C A 19 ALA N N A 19 ALA CA CA 5UY2 1 
19 19 . OMEGA 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 HIS N 1 1 20 HIS CA 178.0 180.0 . . . . 500.0 A 19 ALA CA CA A 19 ALA C C A 20 HIS N N A 20 HIS CA CA 5UY2 1 
stop_
save_
