NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
396839 |
1sp1   |
cing | 3-converted-DOCR | STAR | entry | full | 170 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1sp1
# This DOCR archive file contains, for PDB entry <1sp1>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1sp1
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1sp1"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1sp1"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1sp1
_Assembly.ID 1
_Assembly.Name 1sp1
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 1
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3594.5959
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 SP1F3 1 $SP1F3 A . no . . . . . . rr_1sp1 1
2 "ZINC ION" 2 $ZINC_ION B . no . . . . . . rr_1sp1 1
stop_
save_
save_SP1F3
_Entity.Sf_category entity
_Entity.Sf_framecode SP1F3
_Entity.Entry_ID rr_1sp1
_Entity.ID 1
_Entity.Name SP1F3
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;KKFACPECPKRFMRSDHLSK
HIKTHQNKK
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 29
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3529.2159
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 . LYS . rr_1sp1 1
2 . LYS . rr_1sp1 1
3 . PHE . rr_1sp1 1
4 . ALA . rr_1sp1 1
5 . CYS . rr_1sp1 1
6 . PRO . rr_1sp1 1
7 . GLU . rr_1sp1 1
8 . CYS . rr_1sp1 1
9 . PRO . rr_1sp1 1
10 . LYS . rr_1sp1 1
11 . ARG . rr_1sp1 1
12 . PHE . rr_1sp1 1
13 . MET . rr_1sp1 1
14 . ARG . rr_1sp1 1
15 . SER . rr_1sp1 1
16 . ASP . rr_1sp1 1
17 . HIS . rr_1sp1 1
18 . LEU . rr_1sp1 1
19 . SER . rr_1sp1 1
20 . LYS . rr_1sp1 1
21 . HIS . rr_1sp1 1
22 . ILE . rr_1sp1 1
23 . LYS . rr_1sp1 1
24 . THR . rr_1sp1 1
25 . HIS . rr_1sp1 1
26 . GLN . rr_1sp1 1
27 . ASN . rr_1sp1 1
28 . LYS . rr_1sp1 1
29 . LYS . rr_1sp1 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
. LYS 1 1 rr_1sp1 1
. LYS 2 2 rr_1sp1 1
. PHE 3 3 rr_1sp1 1
. ALA 4 4 rr_1sp1 1
. CYS 5 5 rr_1sp1 1
. PRO 6 6 rr_1sp1 1
. GLU 7 7 rr_1sp1 1
. CYS 8 8 rr_1sp1 1
. PRO 9 9 rr_1sp1 1
. LYS 10 10 rr_1sp1 1
. ARG 11 11 rr_1sp1 1
. PHE 12 12 rr_1sp1 1
. MET 13 13 rr_1sp1 1
. ARG 14 14 rr_1sp1 1
. SER 15 15 rr_1sp1 1
. ASP 16 16 rr_1sp1 1
. HIS 17 17 rr_1sp1 1
. LEU 18 18 rr_1sp1 1
. SER 19 19 rr_1sp1 1
. LYS 20 20 rr_1sp1 1
. HIS 21 21 rr_1sp1 1
. ILE 22 22 rr_1sp1 1
. LYS 23 23 rr_1sp1 1
. THR 24 24 rr_1sp1 1
. HIS 25 25 rr_1sp1 1
. GLN 26 26 rr_1sp1 1
. ASN 27 27 rr_1sp1 1
. LYS 28 28 rr_1sp1 1
. LYS 29 29 rr_1sp1 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Sf_framecode ZINC_ION
_Entity.Entry_ID rr_1sp1
_Entity.ID 2
_Entity.Name ZINC_ION
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . ZN . rr_1sp1 2
stop_
save_
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID rr_1sp1
_Chem_comp.ID ZN
_Chem_comp.Name "ZINC ION"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ZN
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.38
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1sp1
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1sp1
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_1sp1 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_1sp1 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 LYS C C 10.991 3.011 -4.112 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 2 . 1 1 1 LYS CA C 11.600 4.367 -4.471 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 3 . 1 1 1 LYS CB C 13.038 4.434 -3.954 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 4 . 1 1 1 LYS CD C 14.495 6.362 -4.591 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 5 . 1 1 1 LYS CE C 14.635 7.287 -5.802 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 6 . 1 1 1 LYS CG C 13.947 5.007 -5.043 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 7 . 1 1 1 LYS H1 H 10.024 5.039 -3.287 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . rr_1sp1 1
. 1 . 8 . 1 1 1 LYS H2 H 11.404 6.022 -3.223 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . rr_1sp1 1
. 1 . 9 . 1 1 1 LYS H3 H 10.398 6.063 -4.591 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . rr_1sp1 1
. 1 . 10 . 1 1 1 LYS HA H 11.598 4.490 -5.544 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 11 . 1 1 1 LYS HB2 H 13.077 5.069 -3.080 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 12 . 1 1 1 LYS HB3 H 13.374 3.442 -3.693 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 13 . 1 1 1 LYS HD2 H 13.816 6.804 -3.876 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 14 . 1 1 1 LYS HD3 H 15.462 6.224 -4.132 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 15 . 1 1 1 LYS HE2 H 14.110 6.861 -6.644 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 16 . 1 1 1 LYS HE3 H 14.215 8.254 -5.566 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 17 . 1 1 1 LYS HG2 H 14.768 4.327 -5.221 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 18 . 1 1 1 LYS HG3 H 13.382 5.135 -5.954 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 19 . 1 1 1 LYS HZ1 H 16.623 6.671 -5.710 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 20 . 1 1 1 LYS HZ2 H 16.194 7.411 -7.177 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 21 . 1 1 1 LYS HZ3 H 16.424 8.353 -5.782 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 22 . 1 1 1 LYS N N 10.796 5.455 -3.846 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 23 . 1 1 1 LYS NZ N 16.078 7.442 -6.144 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 24 . 1 1 1 LYS O O 10.218 2.893 -3.182 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 25 . 1 1 2 LYS C C 9.245 0.721 -4.490 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 26 . 1 1 2 LYS CA C 10.772 0.637 -4.542 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 27 . 1 1 2 LYS CB C 11.302 0.156 -3.190 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 28 . 1 1 2 LYS CD C 13.386 -0.443 -1.951 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 29 . 1 1 2 LYS CE C 14.067 -1.724 -2.436 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 30 . 1 1 2 LYS CG C 12.822 0.322 -3.149 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 31 . 1 1 2 LYS H H 11.958 2.099 -5.589 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 32 . 1 1 2 LYS HA H 11.069 -0.058 -5.313 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 33 . 1 1 2 LYS HB2 H 10.854 0.741 -2.399 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 34 . 1 1 2 LYS HB3 H 11.051 -0.885 -3.055 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 35 . 1 1 2 LYS HD2 H 14.106 0.176 -1.435 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 36 . 1 1 2 LYS HD3 H 12.582 -0.699 -1.276 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 37 . 1 1 2 LYS HE2 H 13.382 -2.283 -3.057 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 38 . 1 1 2 LYS HE3 H 14.947 -1.470 -3.009 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 39 . 1 1 2 LYS HG2 H 13.251 -0.069 -4.061 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 40 . 1 1 2 LYS HG3 H 13.069 1.368 -3.054 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 41 . 1 1 2 LYS HZ1 H 14.406 -1.978 -0.398 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 42 . 1 1 2 LYS HZ2 H 13.815 -3.365 -1.180 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 43 . 1 1 2 LYS HZ3 H 15.434 -2.894 -1.388 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 44 . 1 1 2 LYS N N 11.333 1.984 -4.843 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 45 . 1 1 2 LYS NZ N 14.460 -2.553 -1.262 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 46 . 1 1 2 LYS O O 8.650 1.669 -4.962 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 47 . 1 1 3 PHE C C 6.691 0.329 -2.484 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1sp1 1
. 1 . 48 . 1 1 3 PHE CA C 7.118 -0.236 -3.840 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1sp1 1
. 1 . 49 . 1 1 3 PHE CB C 6.567 -1.655 -3.998 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1sp1 1
. 1 . 50 . 1 1 3 PHE CD1 C 7.482 -2.585 -1.841 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1sp1 1
. 1 . 51 . 1 1 3 PHE CD2 C 8.205 -3.568 -3.937 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1sp1 1
. 1 . 52 . 1 1 3 PHE CE1 C 8.292 -3.486 -1.139 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1sp1 1
. 1 . 53 . 1 1 3 PHE CE2 C 9.014 -4.470 -3.235 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1sp1 1
. 1 . 54 . 1 1 3 PHE CG C 7.439 -2.626 -3.240 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1sp1 1
. 1 . 55 . 1 1 3 PHE CZ C 9.058 -4.429 -1.836 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1sp1 1
. 1 . 56 . 1 1 3 PHE H H 9.104 -1.019 -3.545 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1sp1 1
. 1 . 57 . 1 1 3 PHE HA H 6.728 0.391 -4.629 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1sp1 1
. 1 . 58 . 1 1 3 PHE HB2 H 5.560 -1.695 -3.608 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1sp1 1
. 1 . 59 . 1 1 3 PHE HB3 H 6.558 -1.923 -5.044 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1sp1 1
. 1 . 60 . 1 1 3 PHE HD1 H 6.891 -1.858 -1.304 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1sp1 1
. 1 . 61 . 1 1 3 PHE HD2 H 8.171 -3.599 -5.016 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1sp1 1
. 1 . 62 . 1 1 3 PHE HE1 H 8.325 -3.455 -0.060 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1sp1 1
. 1 . 63 . 1 1 3 PHE HE2 H 9.605 -5.196 -3.773 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1sp1 1
. 1 . 64 . 1 1 3 PHE HZ H 9.683 -5.124 -1.295 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1sp1 1
. 1 . 65 . 1 1 3 PHE N N 8.606 -0.263 -3.920 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1sp1 1
. 1 . 66 . 1 1 3 PHE O O 7.381 0.185 -1.494 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1sp1 1
. 1 . 67 . 1 1 4 ALA C C 3.853 2.423 -1.402 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_1sp1 1
. 1 . 68 . 1 1 4 ALA CA C 5.083 1.551 -1.143 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_1sp1 1
. 1 . 69 . 1 1 4 ALA CB C 6.194 2.404 -0.528 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_1sp1 1
. 1 . 70 . 1 1 4 ALA H H 5.017 1.078 -3.243 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_1sp1 1
. 1 . 71 . 1 1 4 ALA HA H 4.822 0.752 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_1sp1 1
. 1 . 72 . 1 1 4 ALA HB1 H 6.931 2.633 -1.283 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_1sp1 1
. 1 . 73 . 1 1 4 ALA HB2 H 5.773 3.322 -0.145 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_1sp1 1
. 1 . 74 . 1 1 4 ALA HB3 H 6.662 1.859 0.278 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_1sp1 1
. 1 . 75 . 1 1 4 ALA N N 5.557 0.973 -2.432 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_1sp1 1
. 1 . 76 . 1 1 4 ALA O O 3.790 3.140 -2.380 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_1sp1 1
. 1 . 77 . 1 1 5 CYS C C 1.994 4.559 -1.283 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_1sp1 1
. 1 . 78 . 1 1 5 CYS CA C 1.643 3.178 -0.728 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_1sp1 1
. 1 . 79 . 1 1 5 CYS CB C 0.941 3.364 0.616 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_1sp1 1
. 1 . 80 . 1 1 5 CYS H H 2.946 1.768 0.241 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_1sp1 1
. 1 . 81 . 1 1 5 CYS HA H 0.976 2.671 -1.408 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_1sp1 1
. 1 . 82 . 1 1 5 CYS HB2 H 0.873 2.423 1.118 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 83 . 1 1 5 CYS HB3 H 1.502 4.050 1.227 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 84 . 1 1 5 CYS N N 2.875 2.361 -0.536 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_1sp1 1
. 1 . 85 . 1 1 5 CYS O O 2.392 5.435 -0.541 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_1sp1 1
. 1 . 86 . 1 1 5 CYS SG S -0.717 4.025 0.340 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_1sp1 1
. 1 . 87 . 1 1 6 PRO C C 1.144 7.072 -2.633 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_1sp1 1
. 1 . 88 . 1 1 6 PRO CA C 2.080 6.014 -3.222 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_1sp1 1
. 1 . 89 . 1 1 6 PRO CB C 1.769 5.775 -4.706 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_1sp1 1
. 1 . 90 . 1 1 6 PRO CD C 1.331 3.659 -3.463 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_1sp1 1
. 1 . 91 . 1 1 6 PRO CG C 1.306 4.303 -4.858 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_1sp1 1
. 1 . 92 . 1 1 6 PRO HA H 3.112 6.301 -3.097 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_1sp1 1
. 1 . 93 . 1 1 6 PRO HB2 H 0.983 6.445 -5.028 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_1sp1 1
. 1 . 94 . 1 1 6 PRO HB3 H 2.656 5.938 -5.299 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_1sp1 1
. 1 . 95 . 1 1 6 PRO HD2 H 0.337 3.344 -3.177 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_1sp1 1
. 1 . 96 . 1 1 6 PRO HD3 H 2.013 2.823 -3.445 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_1sp1 1
. 1 . 97 . 1 1 6 PRO HG2 H 0.303 4.274 -5.260 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_1sp1 1
. 1 . 98 . 1 1 6 PRO HG3 H 1.979 3.772 -5.514 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_1sp1 1
. 1 . 99 . 1 1 6 PRO N N 1.812 4.726 -2.568 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_1sp1 1
. 1 . 100 . 1 1 6 PRO O O 1.322 8.258 -2.826 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_1sp1 1
. 1 . 101 . 1 1 7 GLU C C -0.202 8.218 -0.046 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1sp1 1
. 1 . 102 . 1 1 7 GLU CA C -0.817 7.599 -1.300 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1sp1 1
. 1 . 103 . 1 1 7 GLU CB C -2.105 6.862 -0.927 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1sp1 1
. 1 . 104 . 1 1 7 GLU CD C -4.006 5.933 -2.255 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1sp1 1
. 1 . 105 . 1 1 7 GLU CG C -2.489 5.905 -2.056 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1sp1 1
. 1 . 106 . 1 1 7 GLU H H 0.019 5.678 -1.771 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1sp1 1
. 1 . 107 . 1 1 7 GLU HA H -1.042 8.377 -2.008 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1sp1 1
. 1 . 108 . 1 1 7 GLU HB2 H -1.948 6.302 -0.016 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1sp1 1
. 1 . 109 . 1 1 7 GLU HB3 H -2.899 7.578 -0.778 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1sp1 1
. 1 . 110 . 1 1 7 GLU HG2 H -2.000 6.211 -2.969 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1sp1 1
. 1 . 111 . 1 1 7 GLU HG3 H -2.180 4.903 -1.800 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1sp1 1
. 1 . 112 . 1 1 7 GLU N N 0.142 6.639 -1.910 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1sp1 1
. 1 . 113 . 1 1 7 GLU O O -0.213 9.420 0.127 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1sp1 1
. 1 . 114 . 1 1 7 GLU OE1 O -4.579 7.003 -2.134 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1sp1 1
. 1 . 115 . 1 1 7 GLU OE2 O -4.567 4.885 -2.527 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1sp1 1
. 1 . 116 . 1 1 8 CYS C C 2.437 7.674 2.116 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_1sp1 1
. 1 . 117 . 1 1 8 CYS CA C 0.936 7.993 2.072 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_1sp1 1
. 1 . 118 . 1 1 8 CYS CB C 0.244 7.407 3.305 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_1sp1 1
. 1 . 119 . 1 1 8 CYS H H 0.333 6.442 0.686 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_1sp1 1
. 1 . 120 . 1 1 8 CYS HA H 0.797 9.063 2.062 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_1sp1 1
. 1 . 121 . 1 1 8 CYS HB2 H 0.618 7.895 4.193 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 122 . 1 1 8 CYS HB3 H -0.822 7.568 3.230 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 123 . 1 1 8 CYS N N 0.331 7.416 0.835 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_1sp1 1
. 1 . 124 . 1 1 8 CYS O O 2.849 6.600 1.729 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_1sp1 1
. 1 . 125 . 1 1 8 CYS SG S 0.580 5.634 3.405 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_1sp1 1
. 1 . 126 . 1 1 9 PRO C C 5.041 7.396 3.704 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . rr_1sp1 1
. 1 . 127 . 1 1 9 PRO CA C 4.676 8.482 2.682 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . rr_1sp1 1
. 1 . 128 . 1 1 9 PRO CB C 5.173 9.849 3.173 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . rr_1sp1 1
. 1 . 129 . 1 1 9 PRO CD C 2.686 9.928 3.043 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . rr_1sp1 1
. 1 . 130 . 1 1 9 PRO CG C 3.931 10.735 3.442 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . rr_1sp1 1
. 1 . 131 . 1 1 9 PRO HA H 5.104 8.264 1.717 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . rr_1sp1 1
. 1 . 132 . 1 1 9 PRO HB2 H 5.742 9.725 4.084 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . rr_1sp1 1
. 1 . 133 . 1 1 9 PRO HB3 H 5.788 10.310 2.415 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . rr_1sp1 1
. 1 . 134 . 1 1 9 PRO HD2 H 2.037 9.794 3.896 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . rr_1sp1 1
. 1 . 135 . 1 1 9 PRO HD3 H 2.159 10.421 2.240 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . rr_1sp1 1
. 1 . 136 . 1 1 9 PRO HG2 H 3.884 10.990 4.491 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . rr_1sp1 1
. 1 . 137 . 1 1 9 PRO HG3 H 3.986 11.634 2.848 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . rr_1sp1 1
. 1 . 138 . 1 1 9 PRO N N 3.210 8.629 2.582 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . rr_1sp1 1
. 1 . 139 . 1 1 9 PRO O O 5.385 7.693 4.831 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . rr_1sp1 1
. 1 . 140 . 1 1 10 LYS C C 6.422 4.188 3.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 141 . 1 1 10 LYS CA C 5.327 5.068 4.296 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 142 . 1 1 10 LYS CB C 4.089 4.217 4.587 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 143 . 1 1 10 LYS CD C 3.953 3.717 7.033 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 144 . 1 1 10 LYS CE C 5.330 4.168 7.524 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 145 . 1 1 10 LYS CG C 3.475 4.651 5.920 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 146 . 1 1 10 LYS H H 4.700 5.909 2.423 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 147 . 1 1 10 LYS HA H 5.684 5.510 5.214 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 148 . 1 1 10 LYS HB2 H 3.367 4.350 3.795 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 149 . 1 1 10 LYS HB3 H 4.373 3.177 4.646 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 150 . 1 1 10 LYS HD2 H 3.250 3.746 7.853 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 151 . 1 1 10 LYS HD3 H 4.021 2.709 6.653 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 152 . 1 1 10 LYS HE2 H 6.098 3.670 6.950 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 153 . 1 1 10 LYS HE3 H 5.424 5.237 7.400 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 154 . 1 1 10 LYS HG2 H 3.778 5.664 6.143 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 155 . 1 1 10 LYS HG3 H 2.398 4.605 5.851 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 156 . 1 1 10 LYS HZ1 H 5.354 2.796 9.090 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 157 . 1 1 10 LYS HZ2 H 6.435 4.092 9.288 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 158 . 1 1 10 LYS HZ3 H 4.769 4.328 9.523 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 159 . 1 1 10 LYS N N 4.976 6.143 3.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 160 . 1 1 10 LYS NZ N 5.484 3.820 8.965 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 161 . 1 1 10 LYS O O 6.999 4.502 2.674 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 162 . 1 1 11 ARG C C 7.351 0.727 4.035 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_1sp1 1
. 1 . 163 . 1 1 11 ARG CA C 7.769 2.179 3.801 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_1sp1 1
. 1 . 164 . 1 1 11 ARG CB C 9.087 2.454 4.529 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_1sp1 1
. 1 . 165 . 1 1 11 ARG CD C 10.796 4.195 5.071 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_1sp1 1
. 1 . 166 . 1 1 11 ARG CG C 9.519 3.901 4.280 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_1sp1 1
. 1 . 167 . 1 1 11 ARG CZ C 9.406 5.407 6.652 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_1sp1 1
. 1 . 168 . 1 1 11 ARG H H 6.231 2.859 5.147 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_1sp1 1
. 1 . 169 . 1 1 11 ARG HA H 7.899 2.351 2.742 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_1sp1 1
. 1 . 170 . 1 1 11 ARG HB2 H 8.951 2.295 5.589 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_1sp1 1
. 1 . 171 . 1 1 11 ARG HB3 H 9.848 1.784 4.159 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_1sp1 1
. 1 . 172 . 1 1 11 ARG HD2 H 11.395 3.299 5.130 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_1sp1 1
. 1 . 173 . 1 1 11 ARG HD3 H 11.358 4.970 4.570 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_1sp1 1
. 1 . 174 . 1 1 11 ARG HE H 10.997 4.360 7.211 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_1sp1 1
. 1 . 175 . 1 1 11 ARG HG2 H 9.708 4.041 3.225 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_1sp1 1
. 1 . 176 . 1 1 11 ARG HG3 H 8.735 4.571 4.597 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_1sp1 1
. 1 . 177 . 1 1 11 ARG HH11 H 10.414 7.111 6.355 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_1sp1 1
. 1 . 178 . 1 1 11 ARG HH12 H 8.731 7.290 6.724 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_1sp1 1
. 1 . 179 . 1 1 11 ARG HH21 H 8.157 3.883 7.004 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . rr_1sp1 1
. 1 . 180 . 1 1 11 ARG HH22 H 7.453 5.463 7.089 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_1sp1 1
. 1 . 181 . 1 1 11 ARG N N 6.711 3.088 4.326 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_1sp1 1
. 1 . 182 . 1 1 11 ARG NE N 10.445 4.642 6.452 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_1sp1 1
. 1 . 183 . 1 1 11 ARG NH1 N 9.526 6.704 6.570 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_1sp1 1
. 1 . 184 . 1 1 11 ARG NH2 N 8.249 4.876 6.938 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_1sp1 1
. 1 . 185 . 1 1 11 ARG O O 6.816 0.384 5.071 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_1sp1 1
. 1 . 186 . 1 1 12 PHE C C 8.266 -2.461 2.624 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . rr_1sp1 1
. 1 . 187 . 1 1 12 PHE CA C 7.202 -1.560 3.255 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . rr_1sp1 1
. 1 . 188 . 1 1 12 PHE CB C 5.855 -1.809 2.576 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . rr_1sp1 1
. 1 . 189 . 1 1 12 PHE CD1 C 4.696 0.423 2.744 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . rr_1sp1 1
. 1 . 190 . 1 1 12 PHE CD2 C 3.951 -1.388 4.175 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . rr_1sp1 1
. 1 . 191 . 1 1 12 PHE CE1 C 3.726 1.263 3.302 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . rr_1sp1 1
. 1 . 192 . 1 1 12 PHE CE2 C 2.981 -0.547 4.733 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . rr_1sp1 1
. 1 . 193 . 1 1 12 PHE CG C 4.809 -0.903 3.180 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . rr_1sp1 1
. 1 . 194 . 1 1 12 PHE CZ C 2.868 0.778 4.297 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . rr_1sp1 1
. 1 . 195 . 1 1 12 PHE H H 8.021 0.162 2.252 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . rr_1sp1 1
. 1 . 196 . 1 1 12 PHE HA H 7.121 -1.784 4.308 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . rr_1sp1 1
. 1 . 197 . 1 1 12 PHE HB2 H 5.941 -1.605 1.519 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . rr_1sp1 1
. 1 . 198 . 1 1 12 PHE HB3 H 5.564 -2.839 2.721 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . rr_1sp1 1
. 1 . 199 . 1 1 12 PHE HD1 H 5.358 0.798 1.977 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . rr_1sp1 1
. 1 . 200 . 1 1 12 PHE HD2 H 4.038 -2.411 4.511 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . rr_1sp1 1
. 1 . 201 . 1 1 12 PHE HE1 H 3.639 2.285 2.966 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . rr_1sp1 1
. 1 . 202 . 1 1 12 PHE HE2 H 2.320 -0.922 5.501 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . rr_1sp1 1
. 1 . 203 . 1 1 12 PHE HZ H 2.120 1.426 4.728 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . rr_1sp1 1
. 1 . 204 . 1 1 12 PHE N N 7.589 -0.132 3.081 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . rr_1sp1 1
. 1 . 205 . 1 1 12 PHE O O 9.191 -1.995 1.990 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . rr_1sp1 1
. 1 . 206 . 1 1 13 MET C C 8.406 -5.844 1.526 . . . 1.0 . . . . . . . . . . . . A . 13 MET C . . . . . . . . . rr_1sp1 1
. 1 . 207 . 1 1 13 MET CA C 9.136 -4.683 2.202 . . . 1.0 . . . . . . . . . . . . A . 13 MET CA . . . . . . . . . rr_1sp1 1
. 1 . 208 . 1 1 13 MET CB C 10.044 -5.224 3.309 . . . 1.0 . . . . . . . . . . . . A . 13 MET CB . . . . . . . . . rr_1sp1 1
. 1 . 209 . 1 1 13 MET CE C 13.289 -5.466 3.927 . . . 1.0 . . . . . . . . . . . . A . 13 MET CE . . . . . . . . . rr_1sp1 1
. 1 . 210 . 1 1 13 MET CG C 10.944 -4.101 3.827 . . . 1.0 . . . . . . . . . . . . A . 13 MET CG . . . . . . . . . rr_1sp1 1
. 1 . 211 . 1 1 13 MET H H 7.382 -4.101 3.307 . . . 1.0 . . . . . . . . . . . . A . 13 MET H . . . . . . . . . rr_1sp1 1
. 1 . 212 . 1 1 13 MET HA H 9.733 -4.158 1.471 . . . 1.0 . . . . . . . . . . . . A . 13 MET HA . . . . . . . . . rr_1sp1 1
. 1 . 213 . 1 1 13 MET HB2 H 9.437 -5.603 4.119 . . . 1.0 . . . . . . . . . . . . A . 13 MET HB2 . . . . . . . . . rr_1sp1 1
. 1 . 214 . 1 1 13 MET HB3 H 10.657 -6.021 2.915 . . . 1.0 . . . . . . . . . . . . A . 13 MET HB3 . . . . . . . . . rr_1sp1 1
. 1 . 215 . 1 1 13 MET HE1 H 12.786 -6.097 3.212 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE1 . . . . . . . . . rr_1sp1 1
. 1 . 216 . 1 1 13 MET HE2 H 13.795 -4.666 3.405 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE2 . . . . . . . . . rr_1sp1 1
. 1 . 217 . 1 1 13 MET HE3 H 14.008 -6.054 4.481 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE3 . . . . . . . . . rr_1sp1 1
. 1 . 218 . 1 1 13 MET HG2 H 11.512 -3.689 3.007 . . . 1.0 . . . . . . . . . . . . A . 13 MET HG2 . . . . . . . . . rr_1sp1 1
. 1 . 219 . 1 1 13 MET HG3 H 10.335 -3.327 4.269 . . . 1.0 . . . . . . . . . . . . A . 13 MET HG3 . . . . . . . . . rr_1sp1 1
. 1 . 220 . 1 1 13 MET N N 8.137 -3.748 2.792 . . . 1.0 . . . . . . . . . . . . A . 13 MET N . . . . . . . . . rr_1sp1 1
. 1 . 221 . 1 1 13 MET O O 8.793 -6.989 1.648 . . . 1.0 . . . . . . . . . . . . A . 13 MET O . . . . . . . . . rr_1sp1 1
. 1 . 222 . 1 1 13 MET SD S 12.078 -4.763 5.073 . . . 1.0 . . . . . . . . . . . . A . 13 MET SD . . . . . . . . . rr_1sp1 1
. 1 . 223 . 1 1 14 ARG C C 5.475 -6.034 -0.713 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . rr_1sp1 1
. 1 . 224 . 1 1 14 ARG CA C 6.594 -6.646 0.133 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . rr_1sp1 1
. 1 . 225 . 1 1 14 ARG CB C 5.988 -7.581 1.182 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . rr_1sp1 1
. 1 . 226 . 1 1 14 ARG CD C 6.170 -9.953 1.948 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . rr_1sp1 1
. 1 . 227 . 1 1 14 ARG CG C 6.147 -9.033 0.726 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . rr_1sp1 1
. 1 . 228 . 1 1 14 ARG CZ C 6.829 -11.731 0.435 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . rr_1sp1 1
. 1 . 229 . 1 1 14 ARG H H 7.053 -4.628 0.730 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . rr_1sp1 1
. 1 . 230 . 1 1 14 ARG HA H 7.263 -7.205 -0.505 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . rr_1sp1 1
. 1 . 231 . 1 1 14 ARG HB2 H 6.497 -7.442 2.125 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . rr_1sp1 1
. 1 . 232 . 1 1 14 ARG HB3 H 4.939 -7.356 1.302 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . rr_1sp1 1
. 1 . 233 . 1 1 14 ARG HD2 H 6.654 -9.447 2.770 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . rr_1sp1 1
. 1 . 234 . 1 1 14 ARG HD3 H 5.157 -10.205 2.228 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . rr_1sp1 1
. 1 . 235 . 1 1 14 ARG HE H 7.488 -11.620 2.304 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . rr_1sp1 1
. 1 . 236 . 1 1 14 ARG HG2 H 5.318 -9.301 0.087 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . rr_1sp1 1
. 1 . 237 . 1 1 14 ARG HG3 H 7.072 -9.139 0.180 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . rr_1sp1 1
. 1 . 238 . 1 1 14 ARG HH11 H 4.831 -11.629 0.380 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . rr_1sp1 1
. 1 . 239 . 1 1 14 ARG HH12 H 5.585 -12.309 -1.023 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . rr_1sp1 1
. 1 . 240 . 1 1 14 ARG HH21 H 8.806 -11.957 0.212 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . rr_1sp1 1
. 1 . 241 . 1 1 14 ARG HH22 H 7.836 -12.496 -1.118 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . rr_1sp1 1
. 1 . 242 . 1 1 14 ARG N N 7.350 -5.559 0.815 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . rr_1sp1 1
. 1 . 243 . 1 1 14 ARG NE N 6.923 -11.200 1.624 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . rr_1sp1 1
. 1 . 244 . 1 1 14 ARG NH1 N 5.657 -11.904 -0.112 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . rr_1sp1 1
. 1 . 245 . 1 1 14 ARG NH2 N 7.908 -12.089 -0.207 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . rr_1sp1 1
. 1 . 246 . 1 1 14 ARG O O 5.196 -4.854 -0.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . rr_1sp1 1
. 1 . 247 . 1 1 15 SER C C 2.387 -6.800 -1.857 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_1sp1 1
. 1 . 248 . 1 1 15 SER CA C 3.731 -6.285 -2.375 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_1sp1 1
. 1 . 249 . 1 1 15 SER CB C 3.931 -6.744 -3.819 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_1sp1 1
. 1 . 250 . 1 1 15 SER H H 5.070 -7.774 -1.579 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_1sp1 1
. 1 . 251 . 1 1 15 SER HA H 3.742 -5.205 -2.334 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_1sp1 1
. 1 . 252 . 1 1 15 SER HB2 H 3.272 -6.192 -4.469 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_1sp1 1
. 1 . 253 . 1 1 15 SER HB3 H 4.957 -6.564 -4.114 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_1sp1 1
. 1 . 254 . 1 1 15 SER HG H 2.767 -8.219 -4.323 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_1sp1 1
. 1 . 255 . 1 1 15 SER N N 4.831 -6.825 -1.526 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_1sp1 1
. 1 . 256 . 1 1 15 SER O O 1.354 -6.203 -2.084 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_1sp1 1
. 1 . 257 . 1 1 15 SER OG O 3.632 -8.130 -3.917 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_1sp1 1
. 1 . 258 . 1 1 16 ASP C C 0.645 -7.601 0.546 . . . 1.0 . . . . . . . . . . . . A . 16 ASP C . . . . . . . . . rr_1sp1 1
. 1 . 259 . 1 1 16 ASP CA C 1.114 -8.456 -0.633 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CA . . . . . . . . . rr_1sp1 1
. 1 . 260 . 1 1 16 ASP CB C 1.333 -9.897 -0.166 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CB . . . . . . . . . rr_1sp1 1
. 1 . 261 . 1 1 16 ASP CG C 1.549 -10.800 -1.381 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CG . . . . . . . . . rr_1sp1 1
. 1 . 262 . 1 1 16 ASP H H 3.236 -8.373 -0.992 . . . 1.0 . . . . . . . . . . . . A . 16 ASP H . . . . . . . . . rr_1sp1 1
. 1 . 263 . 1 1 16 ASP HA H 0.364 -8.439 -1.410 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HA . . . . . . . . . rr_1sp1 1
. 1 . 264 . 1 1 16 ASP HB2 H 2.203 -9.939 0.475 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB2 . . . . . . . . . rr_1sp1 1
. 1 . 265 . 1 1 16 ASP HB3 H 0.466 -10.234 0.382 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB3 . . . . . . . . . rr_1sp1 1
. 1 . 266 . 1 1 16 ASP N N 2.392 -7.906 -1.164 . . . 1.0 . . . . . . . . . . . . A . 16 ASP N . . . . . . . . . rr_1sp1 1
. 1 . 267 . 1 1 16 ASP O O -0.284 -6.827 0.432 . . . 1.0 . . . . . . . . . . . . A . 16 ASP O . . . . . . . . . rr_1sp1 1
. 1 . 268 . 1 1 16 ASP OD1 O 2.592 -10.684 -2.004 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD1 . . . . . . . . . rr_1sp1 1
. 1 . 269 . 1 1 16 ASP OD2 O 0.668 -11.593 -1.669 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD2 . . . . . . . . . rr_1sp1 1
. 1 . 270 . 1 1 17 HIS C C 0.874 -5.439 2.486 . . . 1.0 . . . . . . . . . . . . A . 17 HIS C . . . . . . . . . rr_1sp1 1
. 1 . 271 . 1 1 17 HIS CA C 0.872 -6.922 2.860 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CA . . . . . . . . . rr_1sp1 1
. 1 . 272 . 1 1 17 HIS CB C 1.857 -7.160 4.008 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CB . . . . . . . . . rr_1sp1 1
. 1 . 273 . 1 1 17 HIS CD2 C 1.202 -8.794 5.959 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CD2 . . . . . . . . . rr_1sp1 1
. 1 . 274 . 1 1 17 HIS CE1 C -0.347 -7.587 6.875 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CE1 . . . . . . . . . rr_1sp1 1
. 1 . 275 . 1 1 17 HIS CG C 1.110 -7.639 5.222 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CG . . . . . . . . . rr_1sp1 1
. 1 . 276 . 1 1 17 HIS H H 2.031 -8.359 1.749 . . . 1.0 . . . . . . . . . . . . A . 17 HIS H . . . . . . . . . rr_1sp1 1
. 1 . 277 . 1 1 17 HIS HA H -0.121 -7.214 3.170 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HA . . . . . . . . . rr_1sp1 1
. 1 . 278 . 1 1 17 HIS HB2 H 2.579 -7.907 3.713 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 279 . 1 1 17 HIS HB3 H 2.368 -6.238 4.241 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 280 . 1 1 17 HIS HD1 H -0.195 -6.000 5.538 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HD1 . . . . . . . . . rr_1sp1 1
. 1 . 281 . 1 1 17 HIS HD2 H 1.886 -9.605 5.759 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 282 . 1 1 17 HIS HE1 H -1.131 -7.246 7.535 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HE1 . . . . . . . . . rr_1sp1 1
. 1 . 283 . 1 1 17 HIS N N 1.282 -7.731 1.678 . . . 1.0 . . . . . . . . . . . . A . 17 HIS N . . . . . . . . . rr_1sp1 1
. 1 . 284 . 1 1 17 HIS ND1 N 0.115 -6.884 5.825 . . . 1.0 . . . . . . . . . . . . A . 17 HIS ND1 . . . . . . . . . rr_1sp1 1
. 1 . 285 . 1 1 17 HIS NE2 N 0.281 -8.759 7.002 . . . 1.0 . . . . . . . . . . . . A . 17 HIS NE2 . . . . . . . . . rr_1sp1 1
. 1 . 286 . 1 1 17 HIS O O 0.126 -4.650 3.028 . . . 1.0 . . . . . . . . . . . . A . 17 HIS O . . . . . . . . . rr_1sp1 1
. 1 . 287 . 1 1 18 LEU C C 0.483 -3.268 0.385 . . . 1.0 . . . . . . . . . . . . A . 18 LEU C . . . . . . . . . rr_1sp1 1
. 1 . 288 . 1 1 18 LEU CA C 1.762 -3.622 1.149 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CA . . . . . . . . . rr_1sp1 1
. 1 . 289 . 1 1 18 LEU CB C 2.987 -3.400 0.253 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CB . . . . . . . . . rr_1sp1 1
. 1 . 290 . 1 1 18 LEU CD1 C 2.353 -0.981 0.396 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD1 . . . . . . . . . rr_1sp1 1
. 1 . 291 . 1 1 18 LEU CD2 C 4.191 -1.703 -1.131 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD2 . . . . . . . . . rr_1sp1 1
. 1 . 292 . 1 1 18 LEU CG C 2.837 -2.095 -0.535 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CG . . . . . . . . . rr_1sp1 1
. 1 . 293 . 1 1 18 LEU H H 2.305 -5.707 1.136 . . . 1.0 . . . . . . . . . . . . A . 18 LEU H . . . . . . . . . rr_1sp1 1
. 1 . 294 . 1 1 18 LEU HA H 1.840 -2.999 2.027 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HA . . . . . . . . . rr_1sp1 1
. 1 . 295 . 1 1 18 LEU HB2 H 3.874 -3.347 0.867 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB2 . . . . . . . . . rr_1sp1 1
. 1 . 296 . 1 1 18 LEU HB3 H 3.080 -4.225 -0.438 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB3 . . . . . . . . . rr_1sp1 1
. 1 . 297 . 1 1 18 LEU HD11 H 2.402 -1.320 1.420 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD11 . . . . . . . . . rr_1sp1 1
. 1 . 298 . 1 1 18 LEU HD12 H 2.983 -0.112 0.275 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD12 . . . . . . . . . rr_1sp1 1
. 1 . 299 . 1 1 18 LEU HD13 H 1.334 -0.723 0.150 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD13 . . . . . . . . . rr_1sp1 1
. 1 . 300 . 1 1 18 LEU HD21 H 4.956 -1.788 -0.374 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD21 . . . . . . . . . rr_1sp1 1
. 1 . 301 . 1 1 18 LEU HD22 H 4.425 -2.361 -1.955 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD22 . . . . . . . . . rr_1sp1 1
. 1 . 302 . 1 1 18 LEU HD23 H 4.146 -0.684 -1.485 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD23 . . . . . . . . . rr_1sp1 1
. 1 . 303 . 1 1 18 LEU HG H 2.119 -2.236 -1.330 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HG . . . . . . . . . rr_1sp1 1
. 1 . 304 . 1 1 18 LEU N N 1.710 -5.054 1.561 . . . 1.0 . . . . . . . . . . . . A . 18 LEU N . . . . . . . . . rr_1sp1 1
. 1 . 305 . 1 1 18 LEU O O -0.084 -2.209 0.563 . . . 1.0 . . . . . . . . . . . . A . 18 LEU O . . . . . . . . . rr_1sp1 1
. 1 . 306 . 1 1 19 SER C C -2.415 -3.812 -0.285 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_1sp1 1
. 1 . 307 . 1 1 19 SER CA C -1.216 -3.854 -1.236 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_1sp1 1
. 1 . 308 . 1 1 19 SER CB C -1.433 -4.948 -2.281 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_1sp1 1
. 1 . 309 . 1 1 19 SER H H 0.495 -4.995 -0.594 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_1sp1 1
. 1 . 310 . 1 1 19 SER HA H -1.116 -2.899 -1.730 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_1sp1 1
. 1 . 311 . 1 1 19 SER HB2 H -0.556 -5.037 -2.900 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_1sp1 1
. 1 . 312 . 1 1 19 SER HB3 H -1.616 -5.891 -1.782 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_1sp1 1
. 1 . 313 . 1 1 19 SER HG H -2.453 -5.061 -3.935 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_1sp1 1
. 1 . 314 . 1 1 19 SER N N 0.024 -4.145 -0.464 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_1sp1 1
. 1 . 315 . 1 1 19 SER O O -3.168 -2.859 -0.262 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_1sp1 1
. 1 . 316 . 1 1 19 SER OG O -2.547 -4.605 -3.095 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_1sp1 1
. 1 . 317 . 1 1 20 LYS C C -3.831 -3.509 2.172 . . . 1.0 . . . . . . . . . . . . A . 20 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 318 . 1 1 20 LYS CA C -3.749 -4.855 1.448 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 319 . 1 1 20 LYS CB C -3.550 -5.975 2.472 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 320 . 1 1 20 LYS CD C -4.247 -8.296 3.082 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 321 . 1 1 20 LYS CE C -4.324 -9.541 2.197 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 322 . 1 1 20 LYS CG C -4.608 -7.059 2.258 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 323 . 1 1 20 LYS H H -1.981 -5.598 0.468 . . . 1.0 . . . . . . . . . . . . A . 20 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 324 . 1 1 20 LYS HA H -4.664 -5.025 0.901 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 325 . 1 1 20 LYS HB2 H -2.565 -6.403 2.349 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 326 . 1 1 20 LYS HB3 H -3.646 -5.573 3.469 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 327 . 1 1 20 LYS HD2 H -3.244 -8.189 3.470 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 328 . 1 1 20 LYS HD3 H -4.941 -8.396 3.903 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 329 . 1 1 20 LYS HE2 H -3.737 -9.384 1.304 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 330 . 1 1 20 LYS HE3 H -3.937 -10.391 2.738 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 331 . 1 1 20 LYS HG2 H -5.573 -6.686 2.570 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 332 . 1 1 20 LYS HG3 H -4.645 -7.324 1.212 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 333 . 1 1 20 LYS HZ1 H -6.303 -8.933 1.969 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 334 . 1 1 20 LYS HZ2 H -5.793 -10.070 0.818 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 335 . 1 1 20 LYS HZ3 H -6.125 -10.565 2.409 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 336 . 1 1 20 LYS N N -2.599 -4.838 0.501 . . . 1.0 . . . . . . . . . . . . A . 20 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 337 . 1 1 20 LYS NZ N -5.744 -9.796 1.820 . . . 1.0 . . . . . . . . . . . . A . 20 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 338 . 1 1 20 LYS O O -4.899 -2.965 2.372 . . . 1.0 . . . . . . . . . . . . A . 20 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 339 . 1 1 21 HIS C C -3.352 -0.594 2.366 . . . 1.0 . . . . . . . . . . . . A . 21 HIS C . . . . . . . . . rr_1sp1 1
. 1 . 340 . 1 1 21 HIS CA C -2.724 -1.658 3.275 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CA . . . . . . . . . rr_1sp1 1
. 1 . 341 . 1 1 21 HIS CB C -1.282 -1.257 3.633 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CB . . . . . . . . . rr_1sp1 1
. 1 . 342 . 1 1 21 HIS CD2 C -0.849 1.232 2.900 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CD2 . . . . . . . . . rr_1sp1 1
. 1 . 343 . 1 1 21 HIS CE1 C -1.350 2.204 4.770 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CE1 . . . . . . . . . rr_1sp1 1
. 1 . 344 . 1 1 21 HIS CG C -1.186 0.240 3.788 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CG . . . . . . . . . rr_1sp1 1
. 1 . 345 . 1 1 21 HIS H H -1.860 -3.423 2.394 . . . 1.0 . . . . . . . . . . . . A . 21 HIS H . . . . . . . . . rr_1sp1 1
. 1 . 346 . 1 1 21 HIS HA H -3.308 -1.745 4.180 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HA . . . . . . . . . rr_1sp1 1
. 1 . 347 . 1 1 21 HIS HB2 H -0.998 -1.732 4.561 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 348 . 1 1 21 HIS HB3 H -0.615 -1.580 2.848 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 349 . 1 1 21 HIS HD1 H -1.777 0.453 5.811 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HD1 . . . . . . . . . rr_1sp1 1
. 1 . 350 . 1 1 21 HIS HD2 H -0.538 1.076 1.878 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 351 . 1 1 21 HIS HE1 H -1.527 2.957 5.523 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HE1 . . . . . . . . . rr_1sp1 1
. 1 . 352 . 1 1 21 HIS N N -2.711 -2.968 2.566 . . . 1.0 . . . . . . . . . . . . A . 21 HIS N . . . . . . . . . rr_1sp1 1
. 1 . 353 . 1 1 21 HIS ND1 N -1.499 0.883 4.975 . . . 1.0 . . . . . . . . . . . . A . 21 HIS ND1 . . . . . . . . . rr_1sp1 1
. 1 . 354 . 1 1 21 HIS NE2 N -0.958 2.471 3.521 . . . 1.0 . . . . . . . . . . . . A . 21 HIS NE2 . . . . . . . . . rr_1sp1 1
. 1 . 355 . 1 1 21 HIS O O -4.267 0.106 2.753 . . . 1.0 . . . . . . . . . . . . A . 21 HIS O . . . . . . . . . rr_1sp1 1
. 1 . 356 . 1 1 22 ILE C C -4.887 0.264 -0.039 . . . 1.0 . . . . . . . . . . . . A . 22 ILE C . . . . . . . . . rr_1sp1 1
. 1 . 357 . 1 1 22 ILE CA C -3.413 0.566 0.242 . . . 1.0 . . . . . . . . . . . . A . 22 ILE CA . . . . . . . . . rr_1sp1 1
. 1 . 358 . 1 1 22 ILE CB C -2.631 0.550 -1.073 . . . 1.0 . . . . . . . . . . . . A . 22 ILE CB . . . . . . . . . rr_1sp1 1
. 1 . 359 . 1 1 22 ILE CD1 C -0.344 0.373 -2.066 . . . 1.0 . . . . . . . . . . . . A . 22 ILE CD1 . . . . . . . . . rr_1sp1 1
. 1 . 360 . 1 1 22 ILE CG1 C -1.129 0.667 -0.787 . . . 1.0 . . . . . . . . . . . . A . 22 ILE CG1 . . . . . . . . . rr_1sp1 1
. 1 . 361 . 1 1 22 ILE CG2 C -3.074 1.728 -1.942 . . . 1.0 . . . . . . . . . . . . A . 22 ILE CG2 . . . . . . . . . rr_1sp1 1
. 1 . 362 . 1 1 22 ILE H H -2.113 -1.029 0.880 . . . 1.0 . . . . . . . . . . . . A . 22 ILE H . . . . . . . . . rr_1sp1 1
. 1 . 363 . 1 1 22 ILE HA H -3.328 1.542 0.696 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HA . . . . . . . . . rr_1sp1 1
. 1 . 364 . 1 1 22 ILE HB H -2.829 -0.373 -1.595 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HB . . . . . . . . . rr_1sp1 1
. 1 . 365 . 1 1 22 ILE HD11 H -0.928 0.675 -2.923 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HD11 . . . . . . . . . rr_1sp1 1
. 1 . 366 . 1 1 22 ILE HD12 H 0.585 0.923 -2.052 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HD12 . . . . . . . . . rr_1sp1 1
. 1 . 367 . 1 1 22 ILE HD13 H -0.136 -0.685 -2.126 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HD13 . . . . . . . . . rr_1sp1 1
. 1 . 368 . 1 1 22 ILE HG12 H -0.903 1.666 -0.448 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HG12 . . . . . . . . . rr_1sp1 1
. 1 . 369 . 1 1 22 ILE HG13 H -0.847 -0.043 -0.025 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HG13 . . . . . . . . . rr_1sp1 1
. 1 . 370 . 1 1 22 ILE HG21 H -4.140 1.671 -2.108 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HG21 . . . . . . . . . rr_1sp1 1
. 1 . 371 . 1 1 22 ILE HG22 H -2.838 2.655 -1.440 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HG22 . . . . . . . . . rr_1sp1 1
. 1 . 372 . 1 1 22 ILE HG23 H -2.560 1.691 -2.890 . . . 1.0 . . . . . . . . . . . . A . 22 ILE HG23 . . . . . . . . . rr_1sp1 1
. 1 . 373 . 1 1 22 ILE N N -2.856 -0.460 1.168 . . . 1.0 . . . . . . . . . . . . A . 22 ILE N . . . . . . . . . rr_1sp1 1
. 1 . 374 . 1 1 22 ILE O O -5.626 1.112 -0.498 . . . 1.0 . . . . . . . . . . . . A . 22 ILE O . . . . . . . . . rr_1sp1 1
. 1 . 375 . 1 1 23 LYS C C -7.657 -0.472 0.887 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 376 . 1 1 23 LYS CA C -6.746 -1.289 -0.031 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 377 . 1 1 23 LYS CB C -6.960 -2.781 0.234 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 378 . 1 1 23 LYS CD C -9.201 -3.402 -0.682 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 379 . 1 1 23 LYS CE C -9.812 -4.722 -1.155 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 380 . 1 1 23 LYS CG C -7.695 -3.412 -0.951 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 381 . 1 1 23 LYS H H -4.707 -1.611 0.591 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 382 . 1 1 23 LYS HA H -6.987 -1.068 -1.056 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 383 . 1 1 23 LYS HB2 H -6.002 -3.264 0.363 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 384 . 1 1 23 LYS HB3 H -7.550 -2.907 1.130 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 385 . 1 1 23 LYS HD2 H -9.377 -3.282 0.378 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 386 . 1 1 23 LYS HD3 H -9.658 -2.584 -1.218 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 387 . 1 1 23 LYS HE2 H -10.889 -4.663 -1.093 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 388 . 1 1 23 LYS HE3 H -9.520 -4.908 -2.178 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 389 . 1 1 23 LYS HG2 H -7.485 -2.846 -1.847 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 390 . 1 1 23 LYS HG3 H -7.361 -4.430 -1.081 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 391 . 1 1 23 LYS HZ1 H -9.366 -5.537 0.708 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 392 . 1 1 23 LYS HZ2 H -9.924 -6.670 -0.428 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 393 . 1 1 23 LYS HZ3 H -8.344 -6.065 -0.543 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 394 . 1 1 23 LYS N N -5.320 -0.938 0.227 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 395 . 1 1 23 LYS NZ N -9.325 -5.832 -0.289 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 396 . 1 1 23 LYS O O -8.782 -0.163 0.547 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 397 . 1 1 24 THR C C -7.968 2.155 2.586 . . . 1.0 . . . . . . . . . . . . A . 24 THR C . . . . . . . . . rr_1sp1 1
. 1 . 398 . 1 1 24 THR CA C -8.019 0.679 2.986 . . . 1.0 . . . . . . . . . . . . A . 24 THR CA . . . . . . . . . rr_1sp1 1
. 1 . 399 . 1 1 24 THR CB C -7.485 0.517 4.411 . . . 1.0 . . . . . . . . . . . . A . 24 THR CB . . . . . . . . . rr_1sp1 1
. 1 . 400 . 1 1 24 THR CG2 C -6.996 -0.918 4.615 . . . 1.0 . . . . . . . . . . . . A . 24 THR CG2 . . . . . . . . . rr_1sp1 1
. 1 . 401 . 1 1 24 THR H H -6.273 -0.377 2.298 . . . 1.0 . . . . . . . . . . . . A . 24 THR H . . . . . . . . . rr_1sp1 1
. 1 . 402 . 1 1 24 THR HA H -9.040 0.330 2.942 . . . 1.0 . . . . . . . . . . . . A . 24 THR HA . . . . . . . . . rr_1sp1 1
. 1 . 403 . 1 1 24 THR HB H -8.273 0.727 5.118 . . . 1.0 . . . . . . . . . . . . A . 24 THR HB . . . . . . . . . rr_1sp1 1
. 1 . 404 . 1 1 24 THR HG1 H -6.020 1.621 3.764 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG1 . . . . . . . . . rr_1sp1 1
. 1 . 405 . 1 1 24 THR HG21 H -7.351 -1.538 3.804 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG21 . . . . . . . . . rr_1sp1 1
. 1 . 406 . 1 1 24 THR HG22 H -5.917 -0.931 4.632 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG22 . . . . . . . . . rr_1sp1 1
. 1 . 407 . 1 1 24 THR HG23 H -7.376 -1.298 5.552 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG23 . . . . . . . . . rr_1sp1 1
. 1 . 408 . 1 1 24 THR N N -7.181 -0.119 2.046 . . . 1.0 . . . . . . . . . . . . A . 24 THR N . . . . . . . . . rr_1sp1 1
. 1 . 409 . 1 1 24 THR O O -8.699 2.975 3.106 . . . 1.0 . . . . . . . . . . . . A . 24 THR O . . . . . . . . . rr_1sp1 1
. 1 . 410 . 1 1 24 THR OG1 O -6.408 1.420 4.619 . . . 1.0 . . . . . . . . . . . . A . 24 THR OG1 . . . . . . . . . rr_1sp1 1
. 1 . 411 . 1 1 25 HIS C C -8.141 4.225 0.239 . . . 1.0 . . . . . . . . . . . . A . 25 HIS C . . . . . . . . . rr_1sp1 1
. 1 . 412 . 1 1 25 HIS CA C -7.015 3.922 1.229 . . . 1.0 . . . . . . . . . . . . A . 25 HIS CA . . . . . . . . . rr_1sp1 1
. 1 . 413 . 1 1 25 HIS CB C -5.665 4.157 0.549 . . . 1.0 . . . . . . . . . . . . A . 25 HIS CB . . . . . . . . . rr_1sp1 1
. 1 . 414 . 1 1 25 HIS CD2 C -3.402 4.293 1.878 . . . 1.0 . . . . . . . . . . . . A . 25 HIS CD2 . . . . . . . . . rr_1sp1 1
. 1 . 415 . 1 1 25 HIS CE1 C -3.862 6.011 3.116 . . . 1.0 . . . . . . . . . . . . A . 25 HIS CE1 . . . . . . . . . rr_1sp1 1
. 1 . 416 . 1 1 25 HIS CG C -4.675 4.689 1.550 . . . 1.0 . . . . . . . . . . . . A . 25 HIS CG . . . . . . . . . rr_1sp1 1
. 1 . 417 . 1 1 25 HIS H H -6.532 1.824 1.256 . . . 1.0 . . . . . . . . . . . . A . 25 HIS H . . . . . . . . . rr_1sp1 1
. 1 . 418 . 1 1 25 HIS HA H -7.106 4.569 2.088 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HA . . . . . . . . . rr_1sp1 1
. 1 . 419 . 1 1 25 HIS HB2 H -5.301 3.225 0.144 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 420 . 1 1 25 HIS HB3 H -5.786 4.873 -0.251 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 421 . 1 1 25 HIS HD1 H -5.781 6.302 2.364 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HD1 . . . . . . . . . rr_1sp1 1
. 1 . 422 . 1 1 25 HIS HD2 H -2.882 3.450 1.442 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 423 . 1 1 25 HIS HE1 H -3.785 6.809 3.841 . . . 1.0 . . . . . . . . . . . . A . 25 HIS HE1 . . . . . . . . . rr_1sp1 1
. 1 . 424 . 1 1 25 HIS N N -7.111 2.500 1.664 . . . 1.0 . . . . . . . . . . . . A . 25 HIS N . . . . . . . . . rr_1sp1 1
. 1 . 425 . 1 1 25 HIS ND1 N -4.949 5.786 2.353 . . . 1.0 . . . . . . . . . . . . A . 25 HIS ND1 . . . . . . . . . rr_1sp1 1
. 1 . 426 . 1 1 25 HIS NE2 N -2.890 5.131 2.866 . . . 1.0 . . . . . . . . . . . . A . 25 HIS NE2 . . . . . . . . . rr_1sp1 1
. 1 . 427 . 1 1 25 HIS O O -8.514 5.363 0.036 . . . 1.0 . . . . . . . . . . . . A . 25 HIS O . . . . . . . . . rr_1sp1 1
. 1 . 428 . 1 1 26 GLN C C -11.003 2.611 -0.959 . . . 1.0 . . . . . . . . . . . . A . 26 GLN C . . . . . . . . . rr_1sp1 1
. 1 . 429 . 1 1 26 GLN CA C -9.784 3.440 -1.360 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CA . . . . . . . . . rr_1sp1 1
. 1 . 430 . 1 1 26 GLN CB C -9.325 3.013 -2.749 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CB . . . . . . . . . rr_1sp1 1
. 1 . 431 . 1 1 26 GLN CD C -8.043 5.058 -3.395 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CD . . . . . . . . . rr_1sp1 1
. 1 . 432 . 1 1 26 GLN CG C -9.297 4.229 -3.676 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CG . . . . . . . . . rr_1sp1 1
. 1 . 433 . 1 1 26 GLN H H -8.366 2.303 -0.203 . . . 1.0 . . . . . . . . . . . . A . 26 GLN H . . . . . . . . . rr_1sp1 1
. 1 . 434 . 1 1 26 GLN HA H -10.047 4.487 -1.372 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HA . . . . . . . . . rr_1sp1 1
. 1 . 435 . 1 1 26 GLN HB2 H -8.336 2.585 -2.681 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB2 . . . . . . . . . rr_1sp1 1
. 1 . 436 . 1 1 26 GLN HB3 H -10.011 2.278 -3.140 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB3 . . . . . . . . . rr_1sp1 1
. 1 . 437 . 1 1 26 GLN HE21 H -8.363 6.312 -4.900 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE21 . . . . . . . . . rr_1sp1 1
. 1 . 438 . 1 1 26 GLN HE22 H -6.967 6.619 -3.984 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE22 . . . . . . . . . rr_1sp1 1
. 1 . 439 . 1 1 26 GLN HG2 H -9.288 3.897 -4.704 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG2 . . . . . . . . . rr_1sp1 1
. 1 . 440 . 1 1 26 GLN HG3 H -10.174 4.834 -3.501 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG3 . . . . . . . . . rr_1sp1 1
. 1 . 441 . 1 1 26 GLN N N -8.683 3.213 -0.381 . . . 1.0 . . . . . . . . . . . . A . 26 GLN N . . . . . . . . . rr_1sp1 1
. 1 . 442 . 1 1 26 GLN NE2 N -7.768 6.081 -4.156 . . . 1.0 . . . . . . . . . . . . A . 26 GLN NE2 . . . . . . . . . rr_1sp1 1
. 1 . 443 . 1 1 26 GLN O O -11.412 1.708 -1.661 . . . 1.0 . . . . . . . . . . . . A . 26 GLN O . . . . . . . . . rr_1sp1 1
. 1 . 444 . 1 1 26 GLN OE1 O -7.306 4.772 -2.472 . . . 1.0 . . . . . . . . . . . . A . 26 GLN OE1 . . . . . . . . . rr_1sp1 1
. 1 . 445 . 1 1 27 ASN C C -13.863 2.201 -0.457 . . . 1.0 . . . . . . . . . . . . A . 27 ASN C . . . . . . . . . rr_1sp1 1
. 1 . 446 . 1 1 27 ASN CA C -12.776 2.143 0.619 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CA . . . . . . . . . rr_1sp1 1
. 1 . 447 . 1 1 27 ASN CB C -13.307 2.754 1.917 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CB . . . . . . . . . rr_1sp1 1
. 1 . 448 . 1 1 27 ASN CG C -14.118 1.705 2.680 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CG . . . . . . . . . rr_1sp1 1
. 1 . 449 . 1 1 27 ASN H H -11.230 3.641 0.710 . . . 1.0 . . . . . . . . . . . . A . 27 ASN H . . . . . . . . . rr_1sp1 1
. 1 . 450 . 1 1 27 ASN HA H -12.496 1.115 0.794 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HA . . . . . . . . . rr_1sp1 1
. 1 . 451 . 1 1 27 ASN HB2 H -12.478 3.081 2.527 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HB2 . . . . . . . . . rr_1sp1 1
. 1 . 452 . 1 1 27 ASN HB3 H -13.940 3.597 1.687 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HB3 . . . . . . . . . rr_1sp1 1
. 1 . 453 . 1 1 27 ASN HD21 H -13.832 2.566 4.446 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HD21 . . . . . . . . . rr_1sp1 1
. 1 . 454 . 1 1 27 ASN HD22 H -14.767 1.150 4.473 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HD22 . . . . . . . . . rr_1sp1 1
. 1 . 455 . 1 1 27 ASN N N -11.582 2.910 0.164 . . . 1.0 . . . . . . . . . . . . A . 27 ASN N . . . . . . . . . rr_1sp1 1
. 1 . 456 . 1 1 27 ASN ND2 N -14.250 1.816 3.974 . . . 1.0 . . . . . . . . . . . . A . 27 ASN ND2 . . . . . . . . . rr_1sp1 1
. 1 . 457 . 1 1 27 ASN O O -14.235 3.261 -0.918 . . . 1.0 . . . . . . . . . . . . A . 27 ASN O . . . . . . . . . rr_1sp1 1
. 1 . 458 . 1 1 27 ASN OD1 O -14.636 0.775 2.094 . . . 1.0 . . . . . . . . . . . . A . 27 ASN OD1 . . . . . . . . . rr_1sp1 1
. 1 . 459 . 1 1 28 LYS C C -15.078 1.995 -3.044 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 460 . 1 1 28 LYS CA C -15.435 1.033 -1.907 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 461 . 1 1 28 LYS CB C -16.782 1.433 -1.293 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 462 . 1 1 28 LYS CD C -18.195 3.427 -0.767 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 463 . 1 1 28 LYS CE C -18.237 4.548 0.274 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 464 . 1 1 28 LYS CG C -16.761 2.913 -0.906 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 465 . 1 1 28 LYS H H -14.050 0.224 -0.469 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 466 . 1 1 28 LYS HA H -15.510 0.031 -2.304 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 467 . 1 1 28 LYS HB2 H -17.569 1.263 -2.015 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 468 . 1 1 28 LYS HB3 H -16.967 0.835 -0.413 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 469 . 1 1 28 LYS HD2 H -18.535 3.806 -1.720 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 470 . 1 1 28 LYS HD3 H -18.839 2.620 -0.450 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 471 . 1 1 28 LYS HE2 H -17.878 4.173 1.221 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 472 . 1 1 28 LYS HE3 H -17.608 5.364 -0.052 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 473 . 1 1 28 LYS HG2 H -16.243 3.030 0.036 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 474 . 1 1 28 LYS HG3 H -16.250 3.478 -1.670 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 475 . 1 1 28 LYS HZ1 H -20.296 4.317 0.062 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 476 . 1 1 28 LYS HZ2 H -19.837 5.200 1.436 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 477 . 1 1 28 LYS HZ3 H -19.758 5.920 -0.101 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 478 . 1 1 28 LYS N N -14.371 1.064 -0.859 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 479 . 1 1 28 LYS NZ N -19.638 5.033 0.429 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 480 . 1 1 28 LYS O O -13.988 2.530 -3.095 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 481 . 1 1 29 LYS C C -14.275 2.966 -5.575 . . . 1.0 . . . . . . . . . . . . A . 29 LYS C . . . . . . . . . rr_1sp1 1
. 1 . 482 . 1 1 29 LYS CA C -15.721 3.130 -5.102 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CA . . . . . . . . . rr_1sp1 1
. 1 . 483 . 1 1 29 LYS CB C -15.955 4.576 -4.661 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CB . . . . . . . . . rr_1sp1 1
. 1 . 484 . 1 1 29 LYS CD C -15.012 6.493 -3.371 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CD . . . . . . . . . rr_1sp1 1
. 1 . 485 . 1 1 29 LYS CE C -16.220 6.639 -2.444 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CE . . . . . . . . . rr_1sp1 1
. 1 . 486 . 1 1 29 LYS CG C -14.824 5.020 -3.733 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CG . . . . . . . . . rr_1sp1 1
. 1 . 487 . 1 1 29 LYS H H -16.859 1.758 -3.891 . . . 1.0 . . . . . . . . . . . . A . 29 LYS H . . . . . . . . . rr_1sp1 1
. 1 . 488 . 1 1 29 LYS HA H -16.391 2.892 -5.915 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HA . . . . . . . . . rr_1sp1 1
. 1 . 489 . 1 1 29 LYS HB2 H -15.981 5.217 -5.531 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB2 . . . . . . . . . rr_1sp1 1
. 1 . 490 . 1 1 29 LYS HB3 H -16.896 4.644 -4.136 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB3 . . . . . . . . . rr_1sp1 1
. 1 . 491 . 1 1 29 LYS HD2 H -14.126 6.857 -2.871 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD2 . . . . . . . . . rr_1sp1 1
. 1 . 492 . 1 1 29 LYS HD3 H -15.180 7.066 -4.270 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD3 . . . . . . . . . rr_1sp1 1
. 1 . 493 . 1 1 29 LYS HE2 H -17.013 5.987 -2.779 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE2 . . . . . . . . . rr_1sp1 1
. 1 . 494 . 1 1 29 LYS HE3 H -15.935 6.372 -1.437 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE3 . . . . . . . . . rr_1sp1 1
. 1 . 495 . 1 1 29 LYS HG2 H -14.841 4.422 -2.833 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG2 . . . . . . . . . rr_1sp1 1
. 1 . 496 . 1 1 29 LYS HG3 H -13.876 4.892 -4.233 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG3 . . . . . . . . . rr_1sp1 1
. 1 . 497 . 1 1 29 LYS HZ1 H -15.886 8.692 -2.347 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ1 . . . . . . . . . rr_1sp1 1
. 1 . 498 . 1 1 29 LYS HZ2 H -17.161 8.245 -3.378 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ2 . . . . . . . . . rr_1sp1 1
. 1 . 499 . 1 1 29 LYS HZ3 H -17.372 8.203 -1.693 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ3 . . . . . . . . . rr_1sp1 1
. 1 . 500 . 1 1 29 LYS N N -15.991 2.209 -3.957 . . . 1.0 . . . . . . . . . . . . A . 29 LYS N . . . . . . . . . rr_1sp1 1
. 1 . 501 . 1 1 29 LYS NZ N -16.695 8.051 -2.467 . . . 1.0 . . . . . . . . . . . . A . 29 LYS NZ . . . . . . . . . rr_1sp1 1
. 1 . 502 . 1 1 29 LYS O O -13.743 3.913 -6.128 . . . 1.0 . . . . . . . . . . . . A . 29 LYS O . . . . . . . . . rr_1sp1 1
. 1 . 503 . 1 1 29 LYS OXT O -13.724 1.896 -5.373 . . . 1.0 . . . . . . . . . . . . A . 29 LYS OXT . . . . . . . . . rr_1sp1 1
. 1 . 504 . 2 2 1 ZN ZN Zn -0.998 4.266 2.578 . . . 1.0 . . . . . . . . . . . . A . 30 ZN ZN . . . . . . . . . rr_1sp1 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_1sp1
_Constraint_stat_list.ID 1
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 1sp1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1sp1 1
1 1sp1.mr . . XPLOR/CNS 2 distance NOE simple 161 rr_1sp1 1
1 1sp1.mr . . XPLOR/CNS 3 distance "general distance" simple 10 rr_1sp1 1
1 1sp1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1sp1 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 rr_1sp1
_Constraint_stat_list.ID 1
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 "From CCPN project: '1sp1'" . . . . distance "general distance" . 160 rr_1sp1 1
2 "From CCPN project: '1sp1'" . . . . distance "general distance" . 10 rr_1sp1 1
stop_
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 1sp1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1sp1 1
1 1sp1.mr . . XPLOR/CNS 2 distance NOE simple 161 rr_1sp1 1
1 1sp1.mr . . XPLOR/CNS 3 distance "general distance" simple 10 rr_1sp1 1
1 1sp1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1sp1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1sp1
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1sp1 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_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_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_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_alt_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 16 16 ASP H H . . . 1 1 17 17 HIS H H . . . . . 2.821 2.343 3.299 . . . . . A . 16 ASP H . . A . 17 HIS H . . . 16 . HN . . . . . 17 . HN . . rr_1sp1 1
2 1 . . 1 1 16 16 ASP H H . . . 1 1 15 15 SER HA H . . . . . 3.708 2.883 4.533 . . . . . A . 16 ASP H . . A . 15 SER HA . . . 16 . HN . . . . . 15 . HA . . rr_1sp1 1
3 1 OR . 1 1 16 16 ASP H H . . . 1 1 15 15 SER HB2 H . . . . . 3.611 2.028 5.194 . . . . . A . 16 ASP H . . A . 15 SER HB2 . . . 16 . HN . . . . . 15 . HB* . . rr_1sp1 1
3 2 OR . 1 1 16 16 ASP H H . . . 1 1 15 15 SER HB3 H . . . . . 3.611 2.028 5.194 . . . . . A . 16 ASP H . . A . 15 SER HB3 . . . 16 . HN . . . . . 15 . HB* . . rr_1sp1 1
4 1 . . 1 1 15 15 SER H H . . . 1 1 14 14 ARG HA H . . . . . 2.641 2.223 3.059 . . . . . A . 15 SER H . . A . 14 ARG HA . . . 15 . HN . . . . . 14 . HA . . rr_1sp1 1
5 1 . . 1 1 14 14 ARG H H . . . 1 1 13 13 MET HA H . . . . . 3.382 2.696 4.068 . . . . . A . 14 ARG H . . A . 13 MET HA . . . 14 . HN . . . . . 13 . HA . . rr_1sp1 1
6 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 HIS HA H . . . . . 3.258 2.621 3.895 . . . . . A . 18 LEU H . . A . 17 HIS HA . . . 18 . HN . . . . . 17 . HA . . rr_1sp1 1
7 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 LEU HA H . . . . . 3.406 2.710 4.102 . . . . . A . 19 SER H . . A . 18 LEU HA . . . 19 . HN . . . . . 18 . HA . . rr_1sp1 1
8 1 . . 1 1 18 18 LEU H H . . . 1 1 19 19 SER H H . . . . . 2.743 2.292 3.194 . . . . . A . 19 SER H . . A . 18 LEU H . . . 19 . HN . . . . . 18 . HN . . rr_1sp1 1
9 1 . . 1 1 19 19 SER H H . . . 1 1 20 20 LYS H H . . . . . 2.838 2.355 3.321 . . . . . A . 19 SER H . . A . 20 LYS H . . . 19 . HN . . . . . 20 . HN . . rr_1sp1 1
10 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HA H . . . . . 2.342 2.013 2.671 . . . . . A . 11 ARG H . . A . 10 LYS HA . . . 11 . HN . . . . . 10 . HA . . rr_1sp1 1
11 1 OR . 1 1 20 20 LYS H H . . . 1 1 19 19 SER HB2 H . . . . . 3.002 1.661 4.343 . . . . . A . 20 LYS H . . A . 19 SER HB2 . . . 20 . HN . . . . . 19 . HB* . . rr_1sp1 1
11 2 OR . 1 1 20 20 LYS H H . . . 1 1 19 19 SER HB3 H . . . . . 3.002 1.661 4.343 . . . . . A . 20 LYS H . . A . 19 SER HB3 . . . 20 . HN . . . . . 19 . HB* . . rr_1sp1 1
12 1 . . 1 1 19 19 SER H H . . . 1 1 16 16 ASP HA H . . . . . 3.005 2.463 3.547 . . . . . A . 19 SER H . . A . 16 ASP HA . . . 19 . HN . . . . . 16 . HA . . rr_1sp1 1
13 1 . . 1 1 17 17 HIS HA H . . . 1 1 20 20 LYS H H . . . . . 3.074 2.507 3.641 . . . . . A . 20 LYS H . . A . 17 HIS HA . . . 20 . HN . . . . . 17 . HA . . rr_1sp1 1
14 1 . . 1 1 20 20 LYS H H . . . 1 1 21 21 HIS H H . . . . . 3.153 2.556 3.750 . . . . . A . 20 LYS H . . A . 21 HIS H . . . 20 . HN . . . . . 21 . HN . . rr_1sp1 1
15 1 . . 1 1 21 21 HIS H H . . . 1 1 22 22 ILE H H . . . . . 2.821 2.343 3.299 . . . . . A . 22 ILE H . . A . 21 HIS H . . . 22 . HN . . . . . 21 . HN . . rr_1sp1 1
16 1 . . 1 1 22 22 ILE H H . . . 1 1 23 23 LYS H H . . . . . 2.765 2.306 3.224 . . . . . A . 22 ILE H . . A . 23 LYS H . . . 22 . HN . . . . . 23 . HN . . rr_1sp1 1
17 1 . . 1 1 21 21 HIS H H . . . 1 1 20 20 LYS HA H . . . . . 3.214 2.594 3.834 . . . . . A . 21 HIS H . . A . 20 LYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1sp1 1
18 1 . . 1 1 22 22 ILE H H . . . 1 1 21 21 HIS HA H . . . . . 3.142 2.550 3.734 . . . . . A . 22 ILE H . . A . 21 HIS HA . . . 22 . HN . . . . . 21 . HA . . rr_1sp1 1
19 1 . . 1 1 22 22 ILE H H . . . 1 1 19 19 SER HA H . . . . . 3.042 2.487 3.597 . . . . . A . 22 ILE H . . A . 19 SER HA . . . 22 . HN . . . . . 19 . HA . . rr_1sp1 1
20 1 . . 1 1 18 18 LEU HA H . . . 1 1 21 21 HIS H H . . . . . 3.217 2.596 3.838 . . . . . A . 21 HIS H . . A . 18 LEU HA . . . 21 . HN . . . . . 18 . HA . . rr_1sp1 1
21 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 THR H H . . . . . 3.380 2.695 4.065 . . . . . A . 24 THR H . . A . 23 LYS H . . . 24 . HN . . . . . 23 . HN . . rr_1sp1 1
22 1 . . 1 1 24 24 THR H H . . . 1 1 23 23 LYS HA H . . . . . 2.840 2.356 3.324 . . . . . A . 24 THR H . . A . 23 LYS HA . . . 24 . HN . . . . . 23 . HA . . rr_1sp1 1
23 1 . . 1 1 25 25 HIS H H . . . 1 1 22 22 ILE HA H . . . . . 3.516 2.774 4.258 . . . . . A . 25 HIS H . . A . 22 ILE HA . . . 25 . HN . . . . . 22 . HA . . rr_1sp1 1
24 1 . . 1 1 21 21 HIS HA H . . . 1 1 24 24 THR H H . . . . . 3.736 2.898 4.574 . . . . . A . 24 THR H . . A . 21 HIS HA . . . 24 . HN . . . . . 21 . HA . . rr_1sp1 1
25 1 . . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HA H . . . . . 2.823 2.345 3.301 . . . . . A . 28 LYS H . . A . 28 LYS HA . . . 28 . HN . . . . . 28 . HA . . rr_1sp1 1
26 1 . . 1 1 28 28 LYS HA H . . . 1 1 29 29 LYS H H . . . . . 2.415 2.065 2.765 . . . . . A . 29 LYS H . . A . 28 LYS HA . . . 29 . HN . . . . . 28 . HA . . rr_1sp1 1
27 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HA H . . . . . 3.208 2.591 3.825 . . . . . A . 11 ARG H . . A . 11 ARG HA . . . 11 . HN . . . . . 11 . HA . . rr_1sp1 1
28 1 . . 1 1 24 24 THR H H . . . 1 1 25 25 HIS H H . . . . . 2.763 2.305 3.221 . . . . . A . 24 THR H . . A . 25 HIS H . . . 24 . HN . . . . . 25 . HN . . rr_1sp1 1
29 1 . . 1 1 25 25 HIS H H . . . 1 1 26 26 GLN H H . . . . . 2.860 2.369 3.351 . . . . . A . 26 GLN H . . A . 25 HIS H . . . 26 . HN . . . . . 25 . HN . . rr_1sp1 1
30 1 . . 1 1 26 26 GLN H H . . . 1 1 27 27 ASN H H . . . . . 3.012 2.468 3.556 . . . . . A . 27 ASN H . . A . 26 GLN H . . . 27 . HN . . . . . 26 . HN . . rr_1sp1 1
31 1 . . 1 1 7 7 GLU H H . . . 1 1 8 8 CYS H H . . . . . 2.530 2.146 2.914 . . . . . A . 7 GLU H . . A . 8 CYS H . . . 7 . HN . . . . . 8 . HN . . rr_1sp1 1
32 1 . . 1 1 14 14 ARG H H . . . 1 1 13 13 MET H H . . . . . 3.253 2.618 3.888 . . . . . A . 13 MET H . . A . 14 ARG H . . . 13 . HN . . . . . 14 . HN . . rr_1sp1 1
33 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 ALA MB H . . . . . 3.122 2.537 3.707 . . . . . A . 5 CYS H . . A . 4 ALA MB . . . 5 . HN . . . . . 4 . HB* . . rr_1sp1 1
34 1 . . 1 1 7 7 GLU H H . . . 1 1 6 6 PRO HA H . . . . . 3.652 2.852 4.452 . . . . . A . 7 GLU H . . A . 6 PRO HA . . . 7 . HN . . . . . 6 . HA . . rr_1sp1 1
35 1 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 PRO HD2 H . . . . . 3.340 1.870 4.810 . . . . . A . 7 GLU H . . A . 6 PRO HD2 . . . 7 . HN . . . . . 6 . HD* . . rr_1sp1 1
35 2 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 PRO HD3 H . . . . . 3.340 1.870 4.810 . . . . . A . 7 GLU H . . A . 6 PRO HD3 . . . 7 . HN . . . . . 6 . HD* . . rr_1sp1 1
36 1 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 PRO HB2 H . . . . . 2.737 1.487 3.987 . . . . . A . 7 GLU H . . A . 6 PRO HB2 . . . 7 . HN . . . . . 6 . HB* . . rr_1sp1 1
36 2 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 PRO HB3 H . . . . . 2.737 1.487 3.987 . . . . . A . 7 GLU H . . A . 6 PRO HB3 . . . 7 . HN . . . . . 6 . HB* . . rr_1sp1 1
37 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HA H . . . . . 2.906 2.399 3.413 . . . . . A . 8 CYS H . . A . 7 GLU HA . . . 8 . HN . . . . . 7 . HA . . rr_1sp1 1
38 1 . . 1 1 28 28 LYS H H . . . 1 1 27 27 ASN HA H . . . . . 2.614 2.204 3.024 . . . . . A . 28 LYS H . . A . 27 ASN HA . . . 28 . HN . . . . . 27 . HA . . rr_1sp1 1
39 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 LYS HA H . . . . . 2.543 2.155 2.931 . . . . . A . 3 PHE H . . A . 2 LYS HA . . . 3 . HN . . . . . 2 . HA . . rr_1sp1 1
40 1 . . 1 1 27 27 ASN H H . . . 1 1 26 26 GLN HA H . . . . . 2.551 2.161 2.941 . . . . . A . 27 ASN H . . A . 26 GLN HA . . . 27 . HN . . . . . 26 . HA . . rr_1sp1 1
41 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PRO HA H . . . . . 3.355 2.680 4.030 . . . . . A . 10 LYS H . . A . 9 PRO HA . . . 10 . HN . . . . . 9 . HA . . rr_1sp1 1
42 1 . . 1 1 26 26 GLN H H . . . 1 1 25 25 HIS HA H . . . . . 2.904 2.398 3.410 . . . . . A . 26 GLN H . . A . 25 HIS HA . . . 26 . HN . . . . . 25 . HA . . rr_1sp1 1
43 1 OR . 1 1 13 13 MET H H . . . 1 1 12 12 PHE HB2 H . . . . . 4.134 2.309 5.959 . . . . . A . 13 MET H . . A . 12 PHE HB2 . . . 13 . HN . . . . . 12 . HB* . . rr_1sp1 1
43 2 OR . 1 1 13 13 MET H H . . . 1 1 12 12 PHE HB3 H . . . . . 4.134 2.309 5.959 . . . . . A . 13 MET H . . A . 12 PHE HB3 . . . 13 . HN . . . . . 12 . HB* . . rr_1sp1 1
44 1 . . 1 1 24 24 THR H H . . . 1 1 22 22 ILE HA H . . . . . 3.474 2.750 4.198 . . . . . A . 24 THR H . . A . 22 ILE HA . . . 24 . HN . . . . . 22 . HA . . rr_1sp1 1
45 1 . . 1 1 12 12 PHE H H . . . 1 1 4 4 ALA HA H . . . . . 4.140 3.111 5.169 . . . . . A . 12 PHE H . . A . 4 ALA HA . . . 12 . HN . . . . . 4 . HA . . rr_1sp1 1
46 1 . . 1 1 22 22 ILE H H . . . 1 1 21 21 HIS HB2 H . . . . . 3.361 2.683 4.039 . . . . . A . 22 ILE H . . A . 21 HIS HB2 . . . 22 . HN . . . . . 21 . HB2 . . rr_1sp1 1
47 1 . . 1 1 22 22 ILE H H . . . 1 1 21 21 HIS HB3 H . . . . . 3.018 2.471 3.565 . . . . . A . 22 ILE H . . A . 21 HIS HB3 . . . 22 . HN . . . . . 21 . HB1 . . rr_1sp1 1
48 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HB3 H . . . . . 3.028 1.678 4.378 . . . . . A . 12 PHE HZ . . A . 21 HIS HB3 . . . 12 . HZ . . . . . 21 . HB* . . rr_1sp1 1
48 2 OR . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HB2 H . . . . . 3.028 1.678 4.378 . . . . . A . 12 PHE HZ . . A . 21 HIS HB2 . . . 12 . HZ . . . . . 21 . HB* . . rr_1sp1 1
49 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HB3 H . . . . . 3.175 1.770 4.580 . . . . . A . 12 PHE HZ . . A . 21 HIS HB3 . . . 12 . HZ . . . . . 21 . HB* . . rr_1sp1 1
49 2 OR . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HB2 H . . . . . 3.175 1.770 4.580 . . . . . A . 12 PHE HZ . . A . 21 HIS HB2 . . . 12 . HZ . . . . . 21 . HB* . . rr_1sp1 1
50 1 . . 1 1 22 22 ILE HA H . . . 1 1 25 25 HIS HD2 H . . . . . 2.411 2.062 2.760 . . . . . A . 25 HIS HD2 . . A . 22 ILE HA . . . 25 . HD2 . . . . . 22 . HA . . rr_1sp1 1
51 1 . . 1 1 23 23 LYS HA H . . . 1 1 25 25 HIS H H . . . . . 3.144 2.551 3.737 . . . . . A . 25 HIS H . . A . 23 LYS HA . . . 25 . HN . . . . . 23 . HA . . rr_1sp1 1
52 1 . . 1 1 25 25 HIS H H . . . 1 1 24 24 THR HA H . . . . . 3.053 2.494 3.612 . . . . . A . 25 HIS H . . A . 24 THR HA . . . 25 . HN . . . . . 24 . HA . . rr_1sp1 1
53 1 . . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE MD H . . . . . 3.765 1.914 5.616 . . . . . A . 25 HIS HD2 . . A . 22 ILE MD . . . 25 . HD2 . . . . . 22 . HD1* . . rr_1sp1 1
54 1 . . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE MG H . . . . . 3.425 1.721 5.129 . . . . . A . 25 HIS HD2 . . A . 22 ILE MG . . . 25 . HD2 . . . . . 22 . HG2* . . rr_1sp1 1
55 1 OR . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE HG12 H . . . . . 2.787 1.521 4.053 . . . . . A . 25 HIS HD2 . . A . 22 ILE HG12 . . . 25 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
55 2 OR . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE HG13 H . . . . . 2.787 1.521 4.053 . . . . . A . 25 HIS HD2 . . A . 22 ILE HG13 . . . 25 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
56 1 OR . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE HG12 H . . . . . 2.972 1.642 4.302 . . . . . A . 25 HIS HD2 . . A . 22 ILE HG12 . . . 25 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
56 2 OR . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE HG13 H . . . . . 2.972 1.642 4.302 . . . . . A . 25 HIS HD2 . . A . 22 ILE HG13 . . . 25 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
57 1 . . 1 1 25 25 HIS HD2 H . . . 1 1 22 22 ILE HB H . . . . . 3.327 1.863 4.791 . . . . . A . 25 HIS HD2 . . A . 22 ILE HB . . . 25 . HD2 . . . . . 22 . HB* . . rr_1sp1 1
58 1 OR . 1 1 25 25 HIS HD2 H . . . 1 1 7 7 GLU HB2 H . . . . . 2.897 1.594 4.200 . . . . . A . 25 HIS HD2 . . A . 7 GLU HB2 . . . 25 . HD2 . . . . . 7 . HB* . . rr_1sp1 1
58 2 OR . 1 1 25 25 HIS HD2 H . . . 1 1 7 7 GLU HB3 H . . . . . 2.897 1.594 4.200 . . . . . A . 25 HIS HD2 . . A . 7 GLU HB3 . . . 25 . HD2 . . . . . 7 . HB* . . rr_1sp1 1
59 1 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HB2 H . . . . . 2.787 1.521 4.053 . . . . . A . 8 CYS H . . A . 7 GLU HB2 . . . 8 . HN . . . . . 7 . HB* . . rr_1sp1 1
59 2 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HB3 H . . . . . 2.787 1.521 4.053 . . . . . A . 8 CYS H . . A . 7 GLU HB3 . . . 8 . HN . . . . . 7 . HB* . . rr_1sp1 1
60 1 OR . 1 1 25 25 HIS HE1 H . . . 1 1 7 7 GLU HB2 H . . . . . 3.097 1.721 4.473 . . . . . A . 7 GLU HB2 . . A . 25 HIS HE1 . . . 7 . HB* . . . . . 25 . HE1 . . rr_1sp1 1
60 2 OR . 1 1 7 7 GLU HB3 H . . . 1 1 25 25 HIS HE1 H . . . . . 3.097 1.721 4.473 . . . . . A . 7 GLU HB3 . . A . 25 HIS HE1 . . . 7 . HB* . . . . . 25 . HE1 . . rr_1sp1 1
61 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HB2 H . . . . . 3.101 1.724 4.478 . . . . . A . 12 PHE HZ . . A . 10 LYS HB2 . . . 12 . HZ . . . . . 10 . HB* . . rr_1sp1 1
61 2 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HB3 H . . . . . 3.101 1.724 4.478 . . . . . A . 12 PHE HZ . . A . 10 LYS HB3 . . . 12 . HZ . . . . . 10 . HB* . . rr_1sp1 1
62 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HG2 H . . . . . 2.850 1.563 4.137 . . . . . A . 12 PHE HZ . . A . 10 LYS HG2 . . . 12 . HZ . . . . . 10 . HG* . . rr_1sp1 1
62 2 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HG3 H . . . . . 2.850 1.563 4.137 . . . . . A . 12 PHE HZ . . A . 10 LYS HG3 . . . 12 . HZ . . . . . 10 . HG* . . rr_1sp1 1
63 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HD2 H . . . . . 2.685 1.452 3.918 . . . . . A . 12 PHE HZ . . A . 10 LYS HD2 . . . 12 . HZ . . . . . 10 . HD* . . rr_1sp1 1
63 2 OR . 1 1 12 12 PHE HZ H . . . 1 1 10 10 LYS HD3 H . . . . . 2.685 1.452 3.918 . . . . . A . 12 PHE HZ . . A . 10 LYS HD3 . . . 12 . HZ . . . . . 10 . HD* . . rr_1sp1 1
64 1 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HG2 H . . . . . 2.832 1.551 4.113 . . . . . A . 11 ARG H . . A . 10 LYS HG2 . . . 11 . HN . . . . . 10 . HG* . . rr_1sp1 1
64 2 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HG3 H . . . . . 2.832 1.551 4.113 . . . . . A . 11 ARG H . . A . 10 LYS HG3 . . . 11 . HN . . . . . 10 . HG* . . rr_1sp1 1
65 1 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HB2 H . . . . . 2.830 1.549 4.111 . . . . . A . 11 ARG H . . A . 10 LYS HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1sp1 1
65 2 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HB3 H . . . . . 2.830 1.549 4.111 . . . . . A . 11 ARG H . . A . 10 LYS HB3 . . . 11 . HN . . . . . 10 . HB* . . rr_1sp1 1
66 1 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HD2 H . . . . . 2.563 1.369 3.757 . . . . . A . 11 ARG H . . A . 10 LYS HD2 . . . 11 . HN . . . . . 10 . HD* . . rr_1sp1 1
66 2 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HD3 H . . . . . 2.563 1.369 3.757 . . . . . A . 11 ARG H . . A . 10 LYS HD3 . . . 11 . HN . . . . . 10 . HD* . . rr_1sp1 1
67 1 OR . 1 1 12 12 PHE QE H . . . 1 1 10 10 LYS HB2 H . . . . . 2.901 -0.404 6.206 . . . . . A . 12 PHE QE . . A . 10 LYS HB2 . . . 12 . HE* . . . . . 10 . HB* . . rr_1sp1 1
67 2 OR . 1 1 10 10 LYS HB3 H . . . 1 1 12 12 PHE QE H . . . . . 2.901 -0.404 6.206 . . . . . A . 12 PHE QE . . A . 10 LYS HB3 . . . 12 . HE* . . . . . 10 . HB* . . rr_1sp1 1
68 1 OR . 1 1 12 12 PHE QE H . . . 1 1 10 10 LYS HD2 H . . . . . 2.803 -0.469 6.075 . . . . . A . 12 PHE QE . . A . 10 LYS HD2 . . . 12 . HE* . . . . . 10 . HD* . . rr_1sp1 1
68 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 12 12 PHE QE H . . . . . 2.803 -0.469 6.075 . . . . . A . 12 PHE QE . . A . 10 LYS HD3 . . . 12 . HE* . . . . . 10 . HD* . . rr_1sp1 1
69 1 OR . 1 1 12 12 PHE QD H . . . 1 1 18 18 LEU HB2 H . . . . . 3.275 -0.169 6.719 . . . . . A . 12 PHE QD . . A . 18 LEU HB2 . . . 12 . HD* . . . . . 18 . HB* . . rr_1sp1 1
69 2 OR . 1 1 12 12 PHE QD H . . . 1 1 18 18 LEU HB3 H . . . . . 3.275 -0.169 6.719 . . . . . A . 12 PHE QD . . A . 18 LEU HB3 . . . 12 . HD* . . . . . 18 . HB* . . rr_1sp1 1
70 1 . . 1 1 12 12 PHE QD H . . . 1 1 18 18 LEU HG H . . . . . 3.018 0.471 5.565 . . . . . A . 12 PHE QD . . A . 18 LEU HG . . . 12 . HD* . . . . . 18 . HG . . rr_1sp1 1
71 1 OR . 1 1 12 12 PHE QD H . . . 1 1 18 18 LEU MD1 H . . . . . 2.987 -1.048 7.022 . . . . . A . 12 PHE QD . . A . 18 LEU MD1 . . . 12 . HD* . . . . . 18 . HD* . . rr_1sp1 1
71 2 OR . 1 1 12 12 PHE QD H . . . 1 1 18 18 LEU MD2 H . . . . . 2.987 -1.048 7.022 . . . . . A . 12 PHE QD . . A . 18 LEU MD2 . . . 12 . HD* . . . . . 18 . HD* . . rr_1sp1 1
72 1 OR . 1 1 3 3 PHE QD H . . . 1 1 2 2 LYS HB2 H . . . . . 2.792 -0.476 6.060 . . . . . A . 3 PHE QD . . A . 2 LYS HB2 . . . 3 . HD* . . . . . 2 . HB* . . rr_1sp1 1
72 2 OR . 1 1 3 3 PHE QD H . . . 1 1 2 2 LYS HB3 H . . . . . 2.792 -0.476 6.060 . . . . . A . 3 PHE QD . . A . 2 LYS HB3 . . . 3 . HD* . . . . . 2 . HB* . . rr_1sp1 1
73 1 . . 1 1 15 15 SER HA H . . . 1 1 3 3 PHE QE H . . . . . 2.960 0.434 5.486 . . . . . A . 3 PHE QE . . A . 15 SER HA . . . 3 . HE* . . . . . 15 . HA . . rr_1sp1 1
74 1 OR . 1 1 3 3 PHE QE H . . . 1 1 15 15 SER HB2 H . . . . . 2.771 -0.490 6.032 . . . . . A . 3 PHE QE . . A . 15 SER HB2 . . . 3 . HE* . . . . . 15 . HB* . . rr_1sp1 1
74 2 OR . 1 1 15 15 SER HB3 H . . . 1 1 3 3 PHE QE H . . . . . 2.771 -0.490 6.032 . . . . . A . 3 PHE QE . . A . 15 SER HB3 . . . 3 . HE* . . . . . 15 . HB* . . rr_1sp1 1
75 1 OR . 1 1 3 3 PHE QE H . . . 1 1 15 15 SER HB2 H . . . . . 3.002 -0.339 6.343 . . . . . A . 3 PHE QE . . A . 15 SER HB2 . . . 3 . HE* . . . . . 15 . HB* . . rr_1sp1 1
75 2 OR . 1 1 15 15 SER HB3 H . . . 1 1 3 3 PHE QE H . . . . . 3.002 -0.339 6.343 . . . . . A . 3 PHE QE . . A . 15 SER HB3 . . . 3 . HE* . . . . . 15 . HB* . . rr_1sp1 1
76 1 . . 1 1 15 15 SER H H . . . 1 1 3 3 PHE QD H . . . . . 3.379 0.694 6.064 . . . . . A . 15 SER H . . A . 3 PHE QD . . . 15 . HN . . . . . 3 . HD* . . rr_1sp1 1
77 1 . . 1 1 15 15 SER H H . . . 1 1 3 3 PHE QE H . . . . . 2.986 0.451 5.521 . . . . . A . 15 SER H . . A . 3 PHE QE . . . 15 . HN . . . . . 3 . HE* . . rr_1sp1 1
78 1 . . 1 1 13 13 MET HA H . . . 1 1 3 3 PHE QD H . . . . . 3.135 0.545 5.725 . . . . . A . 3 PHE QD . . A . 13 MET HA . . . 3 . HD* . . . . . 13 . HA . . rr_1sp1 1
79 1 . . 1 1 2 2 LYS HA H . . . 1 1 3 3 PHE QD H . . . . . 3.128 0.541 5.715 . . . . . A . 3 PHE QD . . A . 2 LYS HA . . . 3 . HD* . . . . . 2 . HA . . rr_1sp1 1
80 1 . . 1 1 5 5 CYS H H . . . 1 1 21 21 HIS HD2 H . . . . . 3.214 2.594 3.834 . . . . . A . 5 CYS H . . A . 21 HIS HD2 . . . 5 . HN . . . . . 21 . HD2 . . rr_1sp1 1
81 1 . . 1 1 5 5 CYS H H . . . 1 1 12 12 PHE QE H . . . . . 3.317 0.657 5.977 . . . . . A . 5 CYS H . . A . 12 PHE QE . . . 5 . HN . . . . . 12 . HE* . . rr_1sp1 1
82 1 . . 1 1 5 5 CYS H H . . . 1 1 12 12 PHE QD H . . . . . 3.860 0.966 6.754 . . . . . A . 5 CYS H . . A . 12 PHE QD . . . 5 . HN . . . . . 12 . HD* . . rr_1sp1 1
83 1 . . 1 1 22 22 ILE H H . . . 1 1 25 25 HIS HD2 H . . . . . 4.025 3.053 4.997 . . . . . A . 22 ILE H . . A . 25 HIS HD2 . . . 22 . HN . . . . . 25 . HD2 . . rr_1sp1 1
84 1 . . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HD2 H . . . . . 3.494 2.761 4.227 . . . . . A . 21 HIS HD2 . . A . 12 PHE HZ . . . 21 . HD2 . . . . . 12 . HZ . . rr_1sp1 1
85 1 . . 1 1 25 25 HIS HD2 H . . . 1 1 21 21 HIS HD2 H . . . . . 3.241 2.611 3.871 . . . . . A . 21 HIS HD2 . . A . 25 HIS HD2 . . . 21 . HD2 . . . . . 25 . HD2 . . rr_1sp1 1
86 1 . . 1 1 12 12 PHE HZ H . . . 1 1 21 21 HIS HE1 H . . . . . 3.363 2.685 4.041 . . . . . A . 21 HIS HE1 . . A . 12 PHE HZ . . . 21 . HE1 . . . . . 12 . HZ . . rr_1sp1 1
87 1 . . 1 1 12 12 PHE QE H . . . 1 1 21 21 HIS HD2 H . . . . . 3.113 0.532 5.694 . . . . . A . 21 HIS HD2 . . A . 12 PHE QE . . . 21 . HD2 . . . . . 12 . HE* . . rr_1sp1 1
88 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS H H . . . . . 3.500 2.765 4.235 . . . . . A . 10 LYS H . . A . 11 ARG H . . . 10 . HN . . . . . 11 . HN . . rr_1sp1 1
89 1 . . 1 1 10 10 LYS H H . . . 1 1 12 12 PHE QE H . . . . . 3.944 1.011 6.877 . . . . . A . 10 LYS H . . A . 12 PHE QE . . . 10 . HN . . . . . 12 . HE* . . rr_1sp1 1
90 1 . . 1 1 12 12 PHE QE H . . . 1 1 21 21 HIS HE1 H . . . . . 3.385 0.698 6.072 . . . . . A . 21 HIS HE1 . . A . 12 PHE QE . . . 21 . HE1 . . . . . 12 . HE* . . rr_1sp1 1
91 1 OR . 1 1 25 25 HIS HE1 H . . . 1 1 8 8 CYS HB2 H . . . . . 2.571 1.374 3.768 . . . . . A . 25 HIS HE1 . . A . 8 CYS HB2 . . . 25 . HE1 . . . . . 8 . HB* . . rr_1sp1 1
91 2 OR . 1 1 25 25 HIS HE1 H . . . 1 1 8 8 CYS HB3 H . . . . . 2.571 1.374 3.768 . . . . . A . 25 HIS HE1 . . A . 8 CYS HB3 . . . 25 . HE1 . . . . . 8 . HB* . . rr_1sp1 1
92 1 OR . 1 1 25 25 HIS HE1 H . . . 1 1 8 8 CYS HB2 H . . . . . 2.921 1.609 4.233 . . . . . A . 25 HIS HE1 . . A . 8 CYS HB2 . . . 25 . HE1 . . . . . 8 . HB* . . rr_1sp1 1
92 2 OR . 1 1 25 25 HIS HE1 H . . . 1 1 8 8 CYS HB3 H . . . . . 2.921 1.609 4.233 . . . . . A . 25 HIS HE1 . . A . 8 CYS HB3 . . . 25 . HE1 . . . . . 8 . HB* . . rr_1sp1 1
93 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 5 5 CYS HB3 H . . . . . 2.921 2.409 3.433 . . . . . A . 21 HIS HD2 . . A . 5 CYS HB3 . . . 21 . HD2 . . . . . 5 . HB1 . . rr_1sp1 1
94 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.760 2.303 3.217 . . . . . A . 21 HIS HD2 . . A . 5 CYS HB2 . . . 21 . HD2 . . . . . 5 . HB2 . . rr_1sp1 1
95 1 . . 1 1 22 22 ILE HA H . . . 1 1 21 21 HIS HD2 H . . . . . 2.938 2.420 3.456 . . . . . A . 21 HIS HD2 . . A . 22 ILE HA . . . 21 . HD2 . . . . . 22 . HA . . rr_1sp1 1
96 1 . . 1 1 8 8 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 3.154 2.557 3.751 . . . . . A . 8 CYS H . . A . 5 CYS HB2 . . . 8 . HN . . . . . 5 . HB2 . . rr_1sp1 1
97 1 . . 1 1 8 8 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 2.830 2.350 3.310 . . . . . A . 8 CYS H . . A . 5 CYS HB3 . . . 8 . HN . . . . . 5 . HB1 . . rr_1sp1 1
98 1 . . 1 1 14 14 ARG HA H . . . 1 1 3 3 PHE QE H . . . . . 2.748 0.295 5.201 . . . . . A . 3 PHE QE . . A . 14 ARG HA . . . 3 . HE* . . . . . 14 . HA . . rr_1sp1 1
99 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 ILE MD H . . . . . 3.909 1.992 5.826 . . . . . A . 23 LYS H . . A . 22 ILE MD . . . 23 . HN . . . . . 22 . HD1* . . rr_1sp1 1
100 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 ILE MG H . . . . . 3.605 1.825 5.385 . . . . . A . 23 LYS H . . A . 22 ILE MG . . . 23 . HN . . . . . 22 . HG2* . . rr_1sp1 1
101 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 ILE HA H . . . . . 3.253 2.618 3.888 . . . . . A . 23 LYS H . . A . 22 ILE HA . . . 23 . HN . . . . . 22 . HA . . rr_1sp1 1
102 1 . . 1 1 12 12 PHE QE H . . . 1 1 5 5 CYS HB3 H . . . . . 2.901 0.393 5.409 . . . . . A . 12 PHE QE . . A . 5 CYS HB3 . . . 12 . HE* . . . . . 5 . HB1 . . rr_1sp1 1
103 1 OR . 1 1 12 12 PHE QE H . . . 1 1 21 21 HIS HB3 H . . . . . 3.353 -0.122 6.828 . . . . . A . 12 PHE QE . . A . 21 HIS HB3 . . . 12 . HE* . . . . . 21 . HB* . . rr_1sp1 1
103 2 OR . 1 1 21 21 HIS HB2 H . . . 1 1 12 12 PHE QE H . . . . . 3.353 -0.122 6.828 . . . . . A . 12 PHE QE . . A . 21 HIS HB2 . . . 12 . HE* . . . . . 21 . HB* . . rr_1sp1 1
104 1 . . 1 1 21 21 HIS HB2 H . . . 1 1 12 12 PHE QE H . . . . . 3.353 0.678 6.028 . . . . . A . 12 PHE QE . . A . 21 HIS HB2 . . . 12 . HE* . . . . . 21 . HB2 . . rr_1sp1 1
105 1 . . 1 1 12 12 PHE QE H . . . 1 1 5 5 CYS HB2 H . . . . . 3.050 0.492 5.608 . . . . . A . 12 PHE QE . . A . 5 CYS HB2 . . . 12 . HE* . . . . . 5 . HB2 . . rr_1sp1 1
106 1 . . 1 1 18 18 LEU HA H . . . 1 1 12 12 PHE QE H . . . . . 3.231 0.605 5.857 . . . . . A . 12 PHE QE . . A . 18 LEU HA . . . 12 . HE* . . . . . 18 . HA . . rr_1sp1 1
107 1 . . 1 1 18 18 LEU HA H . . . 1 1 12 12 PHE QD H . . . . . 2.716 0.273 5.159 . . . . . A . 12 PHE QD . . A . 18 LEU HA . . . 12 . HD* . . . . . 18 . HA . . rr_1sp1 1
108 1 . . 1 1 12 12 PHE QE H . . . 1 1 21 21 HIS HB3 H . . . . . 3.221 0.598 5.844 . . . . . A . 12 PHE QE . . A . 21 HIS HB3 . . . 12 . HE* . . . . . 21 . HB1 . . rr_1sp1 1
109 1 OR . 1 1 21 21 HIS H H . . . 1 1 20 20 LYS HB2 H . . . . . 2.918 1.607 4.229 . . . . . A . 21 HIS H . . A . 20 LYS HB2 . . . 21 . HN . . . . . 20 . HB* . . rr_1sp1 1
109 2 OR . 1 1 21 21 HIS H H . . . 1 1 20 20 LYS HB3 H . . . . . 2.918 1.607 4.229 . . . . . A . 21 HIS H . . A . 20 LYS HB3 . . . 21 . HN . . . . . 20 . HB* . . rr_1sp1 1
110 1 OR . 1 1 21 21 HIS H H . . . 1 1 20 20 LYS HG2 H . . . . . 3.482 1.954 5.010 . . . . . A . 21 HIS H . . A . 20 LYS HG2 . . . 21 . HN . . . . . 20 . HG* . . rr_1sp1 1
110 2 OR . 1 1 21 21 HIS H H . . . 1 1 20 20 LYS HG3 H . . . . . 3.482 1.954 5.010 . . . . . A . 21 HIS H . . A . 20 LYS HG3 . . . 21 . HN . . . . . 20 . HG* . . rr_1sp1 1
111 1 OR . 1 1 16 16 ASP H H . . . 1 1 14 14 ARG HG2 H . . . . . 3.123 1.738 4.508 . . . . . A . 16 ASP H . . A . 14 ARG HG2 . . . 16 . HN . . . . . 14 . HG* . . rr_1sp1 1
111 2 OR . 1 1 16 16 ASP H H . . . 1 1 14 14 ARG HG3 H . . . . . 3.123 1.738 4.508 . . . . . A . 16 ASP H . . A . 14 ARG HG3 . . . 16 . HN . . . . . 14 . HG* . . rr_1sp1 1
112 1 OR . 1 1 15 15 SER H H . . . 1 1 14 14 ARG HG2 H . . . . . 3.180 1.773 4.587 . . . . . A . 15 SER H . . A . 14 ARG HG2 . . . 15 . HN . . . . . 14 . HG* . . rr_1sp1 1
112 2 OR . 1 1 15 15 SER H H . . . 1 1 14 14 ARG HG3 H . . . . . 3.180 1.773 4.587 . . . . . A . 15 SER H . . A . 14 ARG HG3 . . . 15 . HN . . . . . 14 . HG* . . rr_1sp1 1
113 1 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 HIS HB2 H . . . . . 3.081 2.511 3.651 . . . . . A . 26 GLN H . . A . 25 HIS HB2 . . . 26 . HN . . . . . 25 . HB* . . rr_1sp1 1
113 2 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 HIS HB3 H . . . . . 3.081 2.511 3.651 . . . . . A . 26 GLN H . . A . 25 HIS HB3 . . . 26 . HN . . . . . 25 . HB* . . rr_1sp1 1
114 1 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 HIS HB2 H . . . . . 3.164 1.763 4.565 . . . . . A . 26 GLN H . . A . 25 HIS HB2 . . . 26 . HN . . . . . 25 . HB* . . rr_1sp1 1
114 2 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 HIS HB3 H . . . . . 3.164 1.763 4.565 . . . . . A . 26 GLN H . . A . 25 HIS HB3 . . . 26 . HN . . . . . 25 . HB* . . rr_1sp1 1
115 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD2 H . . . . . 3.171 0.968 5.374 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
115 2 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 PRO HD2 H . . . . . 3.171 0.968 5.374 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
115 3 OR . 1 1 9 9 PRO HD3 H . . . 1 1 8 8 CYS HB2 H . . . . . 3.171 0.968 5.374 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
115 4 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD3 H . . . . . 3.171 0.968 5.374 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
116 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD2 H . . . . . 3.122 0.937 5.307 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
116 2 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 PRO HD2 H . . . . . 3.122 0.937 5.307 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
116 3 OR . 1 1 9 9 PRO HD3 H . . . 1 1 8 8 CYS HB2 H . . . . . 3.122 0.937 5.307 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
116 4 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD3 H . . . . . 3.122 0.937 5.307 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
117 1 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 SER HB2 H . . . . . 3.192 1.781 4.603 . . . . . A . 16 ASP HA . . A . 19 SER HB2 . . . 16 . HA . . . . . 19 . HB* . . rr_1sp1 1
117 2 OR . 1 1 19 19 SER HB3 H . . . 1 1 16 16 ASP HA H . . . . . 3.192 1.781 4.603 . . . . . A . 16 ASP HA . . A . 19 SER HB3 . . . 16 . HA . . . . . 19 . HB* . . rr_1sp1 1
118 1 . . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU HG H . . . . . 2.969 2.440 3.498 . . . . . A . 15 SER HA . . A . 18 LEU HG . . . 15 . HA . . . . . 18 . HG . . rr_1sp1 1
119 1 OR . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU MD1 H . . . . . 3.310 1.153 5.467 . . . . . A . 15 SER HA . . A . 18 LEU MD1 . . . 15 . HA . . . . . 18 . HD* . . rr_1sp1 1
119 2 OR . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU MD2 H . . . . . 3.310 1.153 5.467 . . . . . A . 15 SER HA . . A . 18 LEU MD2 . . . 15 . HA . . . . . 18 . HD* . . rr_1sp1 1
120 1 OR . 1 1 18 18 LEU MD2 H . . . 1 1 5 5 CYS HB3 H . . . . . 3.681 1.368 5.994 . . . . . A . 5 CYS HB3 . . A . 18 LEU MD2 . . . 5 . HB1 . . . . . 18 . HD* . . rr_1sp1 1
120 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 18 18 LEU MD1 H . . . . . 3.681 1.368 5.994 . . . . . A . 5 CYS HB3 . . A . 18 LEU MD1 . . . 5 . HB1 . . . . . 18 . HD* . . rr_1sp1 1
121 1 . . 1 1 19 19 SER HA H . . . 1 1 22 22 ILE HB H . . . . . 2.888 1.588 4.188 . . . . . A . 19 SER HA . . A . 22 ILE HB . . . 19 . HA . . . . . 22 . HB* . . rr_1sp1 1
122 1 . . 1 1 19 19 SER HA H . . . 1 1 22 22 ILE MD H . . . . . 3.180 1.572 4.788 . . . . . A . 19 SER HA . . A . 22 ILE MD . . . 19 . HA . . . . . 22 . HD1* . . rr_1sp1 1
123 1 OR . 1 1 21 21 HIS HA H . . . 1 1 24 24 THR MG H . . . . . 2.792 1.524 4.060 . . . . . A . 21 HIS HA . . A . 24 THR MG . . . 21 . HA . . . . . 24 . HG* . . rr_1sp1 1
123 2 OR . 1 1 21 21 HIS HA H . . . 1 1 24 24 THR HG1 H . . . . . 2.792 1.524 4.060 . . . . . A . 21 HIS HA . . A . 24 THR HG1 . . . 21 . HA . . . . . 24 . HG* . . rr_1sp1 1
124 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD2 H . . . . . 2.908 0.800 5.016 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
124 2 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 PRO HD2 H . . . . . 2.908 0.800 5.016 . . . . . A . 9 PRO HD2 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
124 3 OR . 1 1 9 9 PRO HD3 H . . . 1 1 8 8 CYS HB2 H . . . . . 2.908 0.800 5.016 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB2 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
124 4 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 PRO HD3 H . . . . . 2.908 0.800 5.016 . . . . . A . 9 PRO HD3 . . A . 8 CYS HB3 . . . 9 . HD* . . . . . 8 . HB* . . rr_1sp1 1
125 1 . . 1 1 18 18 LEU HA H . . . 1 1 21 21 HIS HB3 H . . . . . 2.866 2.373 3.359 . . . . . A . 18 LEU HA . . A . 21 HIS HB3 . . . 18 . HA . . . . . 21 . HB1 . . rr_1sp1 1
126 1 OR . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU HB2 H . . . . . 2.771 1.510 4.032 . . . . . A . 15 SER HA . . A . 18 LEU HB2 . . . 15 . HA . . . . . 18 . HB* . . rr_1sp1 1
126 2 OR . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU HB3 H . . . . . 2.771 1.510 4.032 . . . . . A . 15 SER HA . . A . 18 LEU HB3 . . . 15 . HA . . . . . 18 . HB* . . rr_1sp1 1
127 1 . . 1 1 18 18 LEU HA H . . . 1 1 21 21 HIS HB2 H . . . . . 3.712 2.885 4.539 . . . . . A . 18 LEU HA . . A . 21 HIS HB2 . . . 18 . HA . . . . . 21 . HB2 . . rr_1sp1 1
128 1 OR . 1 1 21 21 HIS HD2 H . . . 1 1 22 22 ILE HG12 H . . . . . 2.775 1.513 4.037 . . . . . A . 21 HIS HD2 . . A . 22 ILE HG12 . . . 21 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
128 2 OR . 1 1 22 22 ILE HG13 H . . . 1 1 21 21 HIS HD2 H . . . . . 2.775 1.513 4.037 . . . . . A . 21 HIS HD2 . . A . 22 ILE HG13 . . . 21 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
129 1 . . 1 1 22 22 ILE MD H . . . 1 1 21 21 HIS HD2 H . . . . . 3.652 2.852 4.452 . . . . . A . 21 HIS HD2 . . A . 22 ILE MD . . . 21 . HD2 . . . . . 22 . HD1* . . rr_1sp1 1
130 1 OR . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HB2 H . . . . . 2.568 1.372 3.764 . . . . . A . 12 PHE H . . A . 11 ARG HB2 . . . 12 . HN . . . . . 11 . HB* . . rr_1sp1 1
130 2 OR . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HB3 H . . . . . 2.568 1.372 3.764 . . . . . A . 12 PHE H . . A . 11 ARG HB3 . . . 12 . HN . . . . . 11 . HB* . . rr_1sp1 1
131 1 . . 1 1 15 15 SER HA H . . . 1 1 18 18 LEU H H . . . . . 3.187 2.578 3.796 . . . . . A . 18 LEU H . . A . 15 SER HA . . . 18 . HN . . . . . 15 . HA . . rr_1sp1 1
132 1 . . 1 1 15 15 SER HA H . . . 1 1 19 19 SER H H . . . . . 3.177 2.571 3.783 . . . . . A . 19 SER H . . A . 15 SER HA . . . 19 . HN . . . . . 15 . HA . . rr_1sp1 1
133 1 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HE2 H . . . . . 3.076 1.708 4.444 . . . . . A . 11 ARG H . . A . 10 LYS HE2 . . . 11 . HN . . . . . 10 . HE* . . rr_1sp1 1
133 2 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HE3 H . . . . . 3.076 1.708 4.444 . . . . . A . 11 ARG H . . A . 10 LYS HE3 . . . 11 . HN . . . . . 10 . HE* . . rr_1sp1 1
134 1 . . 1 1 10 10 LYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 3.645 2.848 4.442 . . . . . A . 10 LYS H . . A . 5 CYS HB3 . . . 10 . HN . . . . . 5 . HB1 . . rr_1sp1 1
135 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PRO HB2 H . . . . . 3.743 2.102 5.384 . . . . . A . 10 LYS H . . A . 9 PRO HB2 . . . 10 . HN . . . . . 9 . HB* . . rr_1sp1 1
135 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PRO HB3 H . . . . . 3.743 2.102 5.384 . . . . . A . 10 LYS H . . A . 9 PRO HB3 . . . 10 . HN . . . . . 9 . HB* . . rr_1sp1 1
136 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PRO HD2 H . . . . . 3.677 2.066 5.288 . . . . . A . 10 LYS H . . A . 9 PRO HD2 . . . 10 . HN . . . . . 9 . HD* . . rr_1sp1 1
136 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PRO HD3 H . . . . . 3.677 2.066 5.288 . . . . . A . 10 LYS H . . A . 9 PRO HD3 . . . 10 . HN . . . . . 9 . HD* . . rr_1sp1 1
137 1 OR . 1 1 28 28 LYS H H . . . 1 1 27 27 ASN HB2 H . . . . . 3.250 1.816 4.684 . . . . . A . 28 LYS H . . A . 27 ASN HB2 . . . 28 . HN . . . . . 27 . HB* . . rr_1sp1 1
137 2 OR . 1 1 28 28 LYS H H . . . 1 1 27 27 ASN HB3 H . . . . . 3.250 1.816 4.684 . . . . . A . 28 LYS H . . A . 27 ASN HB3 . . . 28 . HN . . . . . 27 . HB* . . rr_1sp1 1
138 1 OR . 1 1 5 5 CYS H H . . . 1 1 18 18 LEU MD1 H . . . . . 3.610 1.328 5.892 . . . . . A . 5 CYS H . . A . 18 LEU MD1 . . . 5 . HN . . . . . 18 . HD* . . rr_1sp1 1
138 2 OR . 1 1 5 5 CYS H H . . . 1 1 18 18 LEU MD2 H . . . . . 3.610 1.328 5.892 . . . . . A . 5 CYS H . . A . 18 LEU MD2 . . . 5 . HN . . . . . 18 . HD* . . rr_1sp1 1
139 1 OR . 1 1 5 5 CYS H H . . . 1 1 18 18 LEU MD1 H . . . . . 3.610 1.068 6.152 . . . . . A . 5 CYS H . . A . 18 LEU MD1 . . . 5 . HN . . . . . 18 . HD* . . rr_1sp1 1
139 2 OR . 1 1 5 5 CYS H H . . . 1 1 18 18 LEU MD2 H . . . . . 3.610 1.068 6.152 . . . . . A . 5 CYS H . . A . 18 LEU MD2 . . . 5 . HN . . . . . 18 . HD* . . rr_1sp1 1
140 1 OR . 1 1 5 5 CYS H H . . . 1 1 22 22 ILE HG12 H . . . . . 2.657 1.433 3.881 . . . . . A . 5 CYS H . . A . 22 ILE HG12 . . . 5 . HN . . . . . 22 . HG1* . . rr_1sp1 1
140 2 OR . 1 1 5 5 CYS H H . . . 1 1 22 22 ILE HG13 H . . . . . 2.657 1.433 3.881 . . . . . A . 5 CYS H . . A . 22 ILE HG13 . . . 5 . HN . . . . . 22 . HG1* . . rr_1sp1 1
141 1 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 GLN HB2 H . . . . . 3.168 1.766 4.570 . . . . . A . 27 ASN H . . A . 26 GLN HB2 . . . 27 . HN . . . . . 26 . HB* . . rr_1sp1 1
141 2 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 GLN HB3 H . . . . . 3.168 1.766 4.570 . . . . . A . 27 ASN H . . A . 26 GLN HB3 . . . 27 . HN . . . . . 26 . HB* . . rr_1sp1 1
142 1 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 GLN HB2 H . . . . . 2.842 1.557 4.127 . . . . . A . 27 ASN H . . A . 26 GLN HB2 . . . 27 . HN . . . . . 26 . HB* . . rr_1sp1 1
142 2 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 GLN HB3 H . . . . . 2.842 1.557 4.127 . . . . . A . 27 ASN H . . A . 26 GLN HB3 . . . 27 . HN . . . . . 26 . HB* . . rr_1sp1 1
143 1 OR . 1 1 19 19 SER H H . . . 1 1 18 18 LEU HB2 H . . . . . 2.777 1.514 4.040 . . . . . A . 19 SER H . . A . 18 LEU HB2 . . . 19 . HN . . . . . 18 . HB* . . rr_1sp1 1
143 2 OR . 1 1 19 19 SER H H . . . 1 1 18 18 LEU HB3 H . . . . . 2.777 1.514 4.040 . . . . . A . 19 SER H . . A . 18 LEU HB3 . . . 19 . HN . . . . . 18 . HB* . . rr_1sp1 1
144 1 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HG2 H . . . . . 2.946 1.625 4.267 . . . . . A . 8 CYS H . . A . 7 GLU HG2 . . . 8 . HN . . . . . 7 . HG* . . rr_1sp1 1
144 2 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HG3 H . . . . . 2.946 1.625 4.267 . . . . . A . 8 CYS H . . A . 7 GLU HG3 . . . 8 . HN . . . . . 7 . HG* . . rr_1sp1 1
145 1 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HG2 H . . . . . 2.938 1.620 4.256 . . . . . A . 8 CYS H . . A . 7 GLU HG2 . . . 8 . HN . . . . . 7 . HG* . . rr_1sp1 1
145 2 OR . 1 1 8 8 CYS H H . . . 1 1 7 7 GLU HG3 H . . . . . 2.938 1.620 4.256 . . . . . A . 8 CYS H . . A . 7 GLU HG3 . . . 8 . HN . . . . . 7 . HG* . . rr_1sp1 1
146 1 . . 1 1 23 23 LYS HA H . . . 1 1 26 26 GLN H H . . . . . 3.128 2.541 3.715 . . . . . A . 26 GLN H . . A . 23 LYS HA . . . 26 . HN . . . . . 23 . HA . . rr_1sp1 1
147 1 . . 1 1 26 26 GLN H H . . . 1 1 24 24 THR HA H . . . . . 3.494 2.761 4.227 . . . . . A . 26 GLN H . . A . 24 THR HA . . . 26 . HN . . . . . 24 . HA . . rr_1sp1 1
148 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 ILE HB H . . . . . 3.371 1.889 4.853 . . . . . A . 23 LYS H . . A . 22 ILE HB . . . 23 . HN . . . . . 22 . HB* . . rr_1sp1 1
149 1 . . 1 1 25 25 HIS H H . . . 1 1 24 24 THR MG H . . . . . 3.797 2.932 4.662 . . . . . A . 25 HIS H . . A . 24 THR MG . . . 25 . HN . . . . . 24 . HG2* . . rr_1sp1 1
150 1 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 LYS HB2 H . . . . . 2.639 2.221 3.057 . . . . . A . 3 PHE H . . A . 2 LYS HB2 . . . 3 . HN . . . . . 2 . HB* . . rr_1sp1 1
150 2 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 LYS HB3 H . . . . . 2.639 2.221 3.057 . . . . . A . 3 PHE H . . A . 2 LYS HB3 . . . 3 . HN . . . . . 2 . HB* . . rr_1sp1 1
151 1 OR . 1 1 3 3 PHE QE H . . . 1 1 2 2 LYS HB2 H . . . . . 2.776 -0.486 6.038 . . . . . A . 3 PHE QE . . A . 2 LYS HB2 . . . 3 . HE* . . . . . 2 . HB* . . rr_1sp1 1
151 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 3 3 PHE QE H . . . . . 2.776 -0.486 6.038 . . . . . A . 3 PHE QE . . A . 2 LYS HB3 . . . 3 . HE* . . . . . 2 . HB* . . rr_1sp1 1
152 1 OR . 1 1 3 3 PHE QE H . . . 1 1 2 2 LYS HD2 H . . . . . 3.097 -0.278 6.472 . . . . . A . 3 PHE QE . . A . 2 LYS HD2 . . . 3 . HE* . . . . . 2 . HD* . . rr_1sp1 1
152 2 OR . 1 1 3 3 PHE QE H . . . 1 1 2 2 LYS HD3 H . . . . . 3.097 -0.278 6.472 . . . . . A . 3 PHE QE . . A . 2 LYS HD3 . . . 3 . HE* . . . . . 2 . HD* . . rr_1sp1 1
153 1 OR . 1 1 3 3 PHE QD H . . . 1 1 2 2 LYS HD2 H . . . . . 3.171 -0.232 6.574 . . . . . A . 3 PHE QD . . A . 2 LYS HD2 . . . 3 . HD* . . . . . 2 . HD* . . rr_1sp1 1
153 2 OR . 1 1 3 3 PHE QD H . . . 1 1 2 2 LYS HD3 H . . . . . 3.171 -0.232 6.574 . . . . . A . 3 PHE QD . . A . 2 LYS HD3 . . . 3 . HD* . . . . . 2 . HD* . . rr_1sp1 1
154 1 OR . 1 1 21 21 HIS HD2 H . . . 1 1 22 22 ILE HG12 H . . . . . 3.166 1.765 4.567 . . . . . A . 21 HIS HD2 . . A . 22 ILE HG12 . . . 21 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
154 2 OR . 1 1 22 22 ILE HG13 H . . . 1 1 21 21 HIS HD2 H . . . . . 3.166 1.765 4.567 . . . . . A . 21 HIS HD2 . . A . 22 ILE HG13 . . . 21 . HD2 . . . . . 22 . HG1* . . rr_1sp1 1
155 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 LEU HG H . . . . . 3.367 2.687 4.047 . . . . . A . 19 SER H . . A . 18 LEU HG . . . 19 . HN . . . . . 18 . HG . . rr_1sp1 1
156 1 OR . 1 1 3 3 PHE QD H . . . 1 1 18 18 LEU HB2 H . . . . . 3.440 -0.070 6.950 . . . . . A . 18 LEU HB2 . . A . 3 PHE QD . . . 18 . HB* . . . . . 3 . HD* . . rr_1sp1 1
156 2 OR . 1 1 18 18 LEU HB3 H . . . 1 1 3 3 PHE QD H . . . . . 3.440 -0.070 6.950 . . . . . A . 18 LEU HB3 . . A . 3 PHE QD . . . 18 . HB* . . . . . 3 . HD* . . rr_1sp1 1
157 1 OR . 1 1 4 4 ALA H H . . . 1 1 18 18 LEU MD1 H . . . . . 2.894 0.892 4.896 . . . . . A . 4 ALA H . . A . 18 LEU MD1 . . . 4 . HN . . . . . 18 . HD* . . rr_1sp1 1
157 2 OR . 1 1 18 18 LEU MD2 H . . . 1 1 4 4 ALA H H . . . . . 2.894 0.892 4.896 . . . . . A . 4 ALA H . . A . 18 LEU MD2 . . . 4 . HN . . . . . 18 . HD* . . rr_1sp1 1
158 1 OR . 1 1 3 3 PHE QD H . . . 1 1 18 18 LEU MD1 H . . . . . 2.735 -1.214 6.684 . . . . . A . 3 PHE QD . . A . 18 LEU MD1 . . . 3 . HD* . . . . . 18 . HD* . . rr_1sp1 1
158 2 OR . 1 1 18 18 LEU MD2 H . . . 1 1 3 3 PHE QD H . . . . . 2.735 -1.214 6.684 . . . . . A . 3 PHE QD . . A . 18 LEU MD2 . . . 3 . HD* . . . . . 18 . HD* . . rr_1sp1 1
159 1 OR . 1 1 3 3 PHE HB3 H . . . 1 1 18 18 LEU MD1 H . . . . . 2.461 -0.202 5.124 . . . . . A . 3 PHE HB3 . . A . 18 LEU MD1 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
159 2 OR . 1 1 3 3 PHE HB2 H . . . 1 1 18 18 LEU MD1 H . . . . . 2.461 -0.202 5.124 . . . . . A . 3 PHE HB2 . . A . 18 LEU MD1 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
159 3 OR . 1 1 18 18 LEU MD2 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.461 -0.202 5.124 . . . . . A . 3 PHE HB2 . . A . 18 LEU MD2 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
159 4 OR . 1 1 18 18 LEU MD2 H . . . 1 1 3 3 PHE HB3 H . . . . . 2.461 -0.202 5.124 . . . . . A . 3 PHE HB3 . . A . 18 LEU MD2 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
160 1 OR . 1 1 3 3 PHE HB3 H . . . 1 1 18 18 LEU MD1 H . . . . . 2.731 -0.016 5.478 . . . . . A . 3 PHE HB3 . . A . 18 LEU MD1 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
160 2 OR . 1 1 3 3 PHE HB2 H . . . 1 1 18 18 LEU MD1 H . . . . . 2.731 -0.016 5.478 . . . . . A . 3 PHE HB2 . . A . 18 LEU MD1 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
160 3 OR . 1 1 18 18 LEU MD2 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.731 -0.016 5.478 . . . . . A . 3 PHE HB2 . . A . 18 LEU MD2 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
160 4 OR . 1 1 18 18 LEU MD2 H . . . 1 1 3 3 PHE HB3 H . . . . . 2.731 -0.016 5.478 . . . . . A . 3 PHE HB3 . . A . 18 LEU MD2 . . . 3 . HB* . . . . . 18 . HD* . . rr_1sp1 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "d h" 1 89 1 97 rr_1sp1 1
2 "d s" 2 89 2 97 rr_1sp1 1
3 "d s" 3 89 3 97 rr_1sp1 1
4 "s r" 4 89 4 97 rr_1sp1 1
5 "r m" 5 89 5 97 rr_1sp1 1
6 "l h" 6 89 6 97 rr_1sp1 1
7 "s l" 7 89 7 97 rr_1sp1 1
8 "s l" 8 89 8 97 rr_1sp1 1
9 "s k" 9 89 9 97 rr_1sp1 1
10 "r k" 10 89 10 97 rr_1sp1 1
11 "k s" 11 89 11 97 rr_1sp1 1
12 "s d" 12 89 12 97 rr_1sp1 1
13 "k h" 13 89 13 97 rr_1sp1 1
14 "k h" 14 89 14 97 rr_1sp1 1
15 "i h" 15 89 15 97 rr_1sp1 1
16 "i k" 16 89 16 97 rr_1sp1 1
17 "h k" 17 89 17 97 rr_1sp1 1
18 "i h" 18 89 18 97 rr_1sp1 1
19 "i s" 19 89 19 97 rr_1sp1 1
20 "h l" 20 89 20 97 rr_1sp1 1
21 "t k" 21 89 21 97 rr_1sp1 1
22 "t k" 22 89 22 97 rr_1sp1 1
23 "h i" 23 89 23 97 rr_1sp1 1
24 "t h" 24 89 24 97 rr_1sp1 1
25 "k k" 25 89 25 97 rr_1sp1 1
26 "k k" 26 89 26 97 rr_1sp1 1
27 "r r" 27 89 27 97 rr_1sp1 1
28 "t h" 28 89 28 97 rr_1sp1 1
29 "q h" 29 89 29 97 rr_1sp1 1
30 "n q" 30 89 30 97 rr_1sp1 1
31 "e c" 31 89 31 97 rr_1sp1 1
32 "m r" 32 89 32 97 rr_1sp1 1
33 "c a" 33 89 33 97 rr_1sp1 1
34 "e p" 34 89 34 97 rr_1sp1 1
35 "e p" 35 89 35 97 rr_1sp1 1
36 "e p" 36 89 36 97 rr_1sp1 1
37 "c e" 37 89 37 97 rr_1sp1 1
38 "k n" 38 89 38 97 rr_1sp1 1
39 "f k" 39 89 39 97 rr_1sp1 1
40 "n q" 40 89 40 97 rr_1sp1 1
41 "k p" 41 89 41 97 rr_1sp1 1
42 "q h" 42 89 42 97 rr_1sp1 1
43 "m f" 43 89 43 97 rr_1sp1 1
44 "t i" 44 89 44 97 rr_1sp1 1
45 "f a" 45 89 45 98 rr_1sp1 1
46 "i h" 46 89 46 97 rr_1sp1 1
47 "i h" 47 89 47 99 rr_1sp1 1
48 "f h" 48 89 48 97 rr_1sp1 1
49 "f h" 49 89 49 97 rr_1sp1 1
50 "h i" 50 89 50 97 rr_1sp1 1
51 "h k" 51 89 51 97 rr_1sp1 1
52 "h t" 52 89 52 98 rr_1sp1 1
53 "h i" 53 89 53 98 rr_1sp1 1
54 "h i" 54 89 54 97 rr_1sp1 1
55 "h i" 55 89 55 97 rr_1sp1 1
56 "h i" 56 89 56 97 rr_1sp1 1
57 "h i" 57 89 57 97 rr_1sp1 1
58 "h e" 58 89 58 97 rr_1sp1 1
59 "c e" 59 89 59 97 rr_1sp1 1
60 "e h" 60 89 60 97 rr_1sp1 1
61 "f k" 61 89 61 97 rr_1sp1 1
62 "f k" 62 89 62 97 rr_1sp1 1
63 "f k" 63 89 63 97 rr_1sp1 1
64 "r k" 64 89 64 97 rr_1sp1 1
65 "r k" 65 89 65 97 rr_1sp1 1
66 "r k" 66 89 66 97 rr_1sp1 1
67 "f k" 67 89 67 97 rr_1sp1 1
68 "f k" 68 89 68 97 rr_1sp1 1
69 "f l" 69 89 69 97 rr_1sp1 1
70 "f l" 70 89 70 97 rr_1sp1 1
71 "f l" 71 89 71 97 rr_1sp1 1
72 "f k" 72 89 72 98 rr_1sp1 1
73 "f s" 73 89 73 97 rr_1sp1 1
74 "f s" 74 89 74 97 rr_1sp1 1
75 "f s" 75 89 75 97 rr_1sp1 1
76 "s f" 76 89 76 97 rr_1sp1 1
77 "s f" 77 89 77 97 rr_1sp1 1
78 "f m" 78 89 78 97 rr_1sp1 1
79 "f k" 79 89 79 97 rr_1sp1 1
80 "c h" 80 89 80 97 rr_1sp1 1
81 "c f" 81 89 81 97 rr_1sp1 1
82 "c f" 82 89 82 97 rr_1sp1 1
83 "i h" 83 89 83 97 rr_1sp1 1
84 "h f" 84 89 84 97 rr_1sp1 1
85 "h h" 85 89 85 97 rr_1sp1 1
86 "h f" 86 89 86 97 rr_1sp1 1
87 "h f" 87 89 87 97 rr_1sp1 1
88 "k r" 88 89 88 97 rr_1sp1 1
89 "k f" 89 89 89 97 rr_1sp1 1
90 "h f" 90 89 90 97 rr_1sp1 1
91 "h c" 91 89 91 97 rr_1sp1 1
92 "h c" 92 89 92 97 rr_1sp1 1
93 "h c" 93 89 93 97 rr_1sp1 1
94 "h c" 94 89 94 97 rr_1sp1 1
95 "h i" 95 89 95 97 rr_1sp1 1
96 "c c" 96 89 96 96 rr_1sp1 1
97 "c c" 97 89 97 97 rr_1sp1 1
98 "f r" 98 89 98 97 rr_1sp1 1
99 "k i" 99 89 99 97 rr_1sp1 1
100 "k i" 100 89 100 97 rr_1sp1 1
101 "k i" 101 89 101 97 rr_1sp1 1
102 "f c" 102 89 102 96 rr_1sp1 1
103 "f h" 103 89 103 96 rr_1sp1 1
104 "f h" 104 89 104 96 rr_1sp1 1
105 "f c" 105 89 105 97 rr_1sp1 1
106 "f l" 106 89 106 97 rr_1sp1 1
107 "f l" 107 89 107 97 rr_1sp1 1
108 "f h" 108 89 108 97 rr_1sp1 1
109 "h k" 109 89 109 97 rr_1sp1 1
110 "h k" 110 89 110 97 rr_1sp1 1
111 "d r" 111 89 111 97 rr_1sp1 1
112 "s r" 112 89 112 97 rr_1sp1 1
113 "q h" 113 89 113 97 rr_1sp1 1
114 "q h" 114 89 114 97 rr_1sp1 1
115 "p c" 115 89 115 97 rr_1sp1 1
116 "p c" 116 89 116 97 rr_1sp1 1
117 "d s" 117 89 117 97 rr_1sp1 1
118 "s l" 118 89 118 97 rr_1sp1 1
119 "s l" 119 89 119 97 rr_1sp1 1
120 "c i" 120 88 120 96 rr_1sp1 1
121 "s i" 121 89 121 97 rr_1sp1 1
122 "s i" 122 89 122 97 rr_1sp1 1
123 "h t" 123 89 123 97 rr_1sp1 1
124 "p c" 124 89 124 97 rr_1sp1 1
125 "l h" 125 89 125 97 rr_1sp1 1
126 "c i" 126 88 126 95 rr_1sp1 1
127 "s l" 127 89 127 97 rr_1sp1 1
128 "l h" 128 89 128 97 rr_1sp1 1
129 "h i" 129 89 129 97 rr_1sp1 1
130 "h i" 130 89 130 97 rr_1sp1 1
131 "f r" 131 89 131 97 rr_1sp1 1
132 "l s" 132 89 132 97 rr_1sp1 1
133 "s s" 133 89 133 97 rr_1sp1 1
134 "r k" 134 89 134 97 rr_1sp1 1
135 "k c" 135 89 135 97 rr_1sp1 1
136 "k p" 136 89 136 97 rr_1sp1 1
137 "k p" 137 89 137 97 rr_1sp1 1
138 "k n" 138 89 138 97 rr_1sp1 1
139 "c i" 139 89 139 97 rr_1sp1 1
140 "c i" 140 89 140 97 rr_1sp1 1
141 "c i" 141 89 141 97 rr_1sp1 1
142 "n q" 142 89 142 97 rr_1sp1 1
143 "n q" 143 89 143 97 rr_1sp1 1
144 "s l" 144 89 144 97 rr_1sp1 1
145 "c e" 145 89 145 97 rr_1sp1 1
146 "c e" 146 89 146 97 rr_1sp1 1
147 "q k" 147 89 147 97 rr_1sp1 1
148 "q t" 148 89 148 97 rr_1sp1 1
149 "k i" 149 89 149 97 rr_1sp1 1
150 "h t" 150 89 150 97 rr_1sp1 1
151 "f k" 151 89 151 97 rr_1sp1 1
152 "f k" 152 89 152 97 rr_1sp1 1
153 "f k" 153 89 153 97 rr_1sp1 1
154 "f k" 154 89 154 97 rr_1sp1 1
155 "h i" 155 89 155 97 rr_1sp1 1
156 "s l" 156 89 156 97 rr_1sp1 1
157 "l f" 157 89 157 96 rr_1sp1 1
158 "a l" 158 90 158 97 rr_1sp1 1
159 "f l" 159 90 159 97 rr_1sp1 1
160 "f l" 160 90 160 97 rr_1sp1 1
161 "f l" 161 90 161 97 rr_1sp1 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .18.HD2' (nmrStar names) not linked" rr_1sp1 1
2 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .18.HD2' (nmrStar names) not linked" rr_1sp1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1sp1
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1sp1 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_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_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_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_alt_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 5 5 CYS SG S . . . 2 2 1 1 ZN ZN Zn . . . . . 2.300 2.250 2.350 . . . . . A . 5 CYS SG . . A . 30 ZN ZN . . . 5 . SG . . . . . 1 . ZN . . rr_1sp1 2
2 1 . . 2 2 1 1 ZN ZN Zn . . . 1 1 8 8 CYS SG S . . . . . 2.300 2.250 2.350 . . . . . A . 8 CYS SG . . A . 30 ZN ZN . . . 8 . SG . . . . . 1 . ZN . . rr_1sp1 2
3 1 . . 2 2 1 1 ZN ZN Zn . . . 1 1 21 21 HIS NE2 N . . . . . 2.085 2.035 2.135 . . . . . A . 21 HIS NE2 . . A . 30 ZN ZN . . . 21 . NE2 . . . . . 1 . ZN . . rr_1sp1 2
4 1 . . 2 2 1 1 ZN ZN Zn . . . 1 1 25 25 HIS NE2 N . . . . . 2.085 2.035 2.135 . . . . . A . 25 HIS NE2 . . A . 30 ZN ZN . . . 25 . NE2 . . . . . 1 . ZN . . rr_1sp1 2
5 1 . . 1 1 5 5 CYS SG S . . . 1 1 8 8 CYS SG S . . . . . 3.701 3.418 3.984 . . . . . A . 5 CYS SG . . A . 8 CYS SG . . . 5 . SG . . . . . 8 . SG . . rr_1sp1 2
6 1 . . 1 1 21 21 HIS NE2 N . . . 1 1 25 25 HIS NE2 N . . . . . 3.354 3.098 3.610 . . . . . A . 21 HIS NE2 . . A . 25 HIS NE2 . . . 21 . NE2 . . . . . 25 . NE2 . . rr_1sp1 2
7 1 . . 1 1 5 5 CYS SG S . . . 1 1 21 21 HIS NE2 N . . . . . 3.530 3.261 3.799 . . . . . A . 5 CYS SG . . A . 21 HIS NE2 . . . 5 . SG . . . . . 21 . NE2 . . rr_1sp1 2
8 1 . . 1 1 8 8 CYS SG S . . . 1 1 25 25 HIS NE2 N . . . . . 3.530 3.261 3.799 . . . . . A . 8 CYS SG . . A . 25 HIS NE2 . . . 8 . SG . . . . . 25 . NE2 . . rr_1sp1 2
9 1 . . 1 1 5 5 CYS SG S . . . 1 1 25 25 HIS NE2 N . . . . . 3.530 3.261 3.799 . . . . . A . 5 CYS SG . . A . 25 HIS NE2 . . . 5 . SG . . . . . 25 . NE2 . . rr_1sp1 2
10 1 . . 1 1 8 8 CYS SG S . . . 1 1 21 21 HIS NE2 N . . . . . 3.530 3.261 3.799 . . . . . A . 8 CYS SG . . A . 21 HIS NE2 . . . 8 . SG . . . . . 21 . NE2 . . rr_1sp1 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "0.00 c zn" 1 83 1 95 rr_1sp1 2
2 "0.00 c zn" 2 83 2 94 rr_1sp1 2
3 "0.00 h zn" 3 83 3 94 rr_1sp1 2
4 "0.00 h zn" 4 83 4 94 rr_1sp1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1sp1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1sp1 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1sp1 1
2 1 . . . rr_1sp1 1
3 1 2 . OR rr_1sp1 1
3 2 . 3 . rr_1sp1 1
3 3 . . . rr_1sp1 1
4 1 . . . rr_1sp1 1
5 1 . . . rr_1sp1 1
6 1 . . . rr_1sp1 1
7 1 . . . rr_1sp1 1
8 1 . . . rr_1sp1 1
9 1 . . . rr_1sp1 1
10 1 . . . rr_1sp1 1
11 1 2 . OR rr_1sp1 1
11 2 . 3 . rr_1sp1 1
11 3 . . . rr_1sp1 1
12 1 . . . rr_1sp1 1
13 1 . . . rr_1sp1 1
14 1 . . . rr_1sp1 1
15 1 . . . rr_1sp1 1
16 1 . . . rr_1sp1 1
17 1 . . . rr_1sp1 1
18 1 . . . rr_1sp1 1
19 1 . . . rr_1sp1 1
20 1 . . . rr_1sp1 1
21 1 . . . rr_1sp1 1
22 1 . . . rr_1sp1 1
23 1 . . . rr_1sp1 1
24 1 . . . rr_1sp1 1
25 1 . . . rr_1sp1 1
26 1 . . . rr_1sp1 1
27 1 . . . rr_1sp1 1
28 1 . . . rr_1sp1 1
29 1 . . . rr_1sp1 1
30 1 . . . rr_1sp1 1
31 1 . . . rr_1sp1 1
32 1 . . . rr_1sp1 1
33 1 . . . rr_1sp1 1
34 1 . . . rr_1sp1 1
35 1 2 . OR rr_1sp1 1
35 2 . 3 . rr_1sp1 1
35 3 . . . rr_1sp1 1
36 1 2 . OR rr_1sp1 1
36 2 . 3 . rr_1sp1 1
36 3 . . . rr_1sp1 1
37 1 . . . rr_1sp1 1
38 1 . . . rr_1sp1 1
39 1 . . . rr_1sp1 1
40 1 . . . rr_1sp1 1
41 1 . . . rr_1sp1 1
42 1 . . . rr_1sp1 1
43 1 2 . OR rr_1sp1 1
43 2 . 3 . rr_1sp1 1
43 3 . . . rr_1sp1 1
44 1 . . . rr_1sp1 1
45 1 . . . rr_1sp1 1
46 1 . . . rr_1sp1 1
47 1 . . . rr_1sp1 1
48 1 2 . OR rr_1sp1 1
48 2 . 3 . rr_1sp1 1
48 3 . . . rr_1sp1 1
49 1 2 . OR rr_1sp1 1
49 2 . 3 . rr_1sp1 1
49 3 . . . rr_1sp1 1
50 1 . . . rr_1sp1 1
51 1 . . . rr_1sp1 1
52 1 . . . rr_1sp1 1
53 1 . . . rr_1sp1 1
54 1 . . . rr_1sp1 1
55 1 2 . OR rr_1sp1 1
55 2 . 3 . rr_1sp1 1
55 3 . . . rr_1sp1 1
56 1 2 . OR rr_1sp1 1
56 2 . 3 . rr_1sp1 1
56 3 . . . rr_1sp1 1
57 1 . . . rr_1sp1 1
58 1 2 . OR rr_1sp1 1
58 2 . 3 . rr_1sp1 1
58 3 . . . rr_1sp1 1
59 1 2 . OR rr_1sp1 1
59 2 . 3 . rr_1sp1 1
59 3 . . . rr_1sp1 1
60 1 2 . OR rr_1sp1 1
60 2 . 3 . rr_1sp1 1
60 3 . . . rr_1sp1 1
61 1 2 . OR rr_1sp1 1
61 2 . 3 . rr_1sp1 1
61 3 . . . rr_1sp1 1
62 1 2 . OR rr_1sp1 1
62 2 . 3 . rr_1sp1 1
62 3 . . . rr_1sp1 1
63 1 2 . OR rr_1sp1 1
63 2 . 3 . rr_1sp1 1
63 3 . . . rr_1sp1 1
64 1 2 . OR rr_1sp1 1
64 2 . 3 . rr_1sp1 1
64 3 . . . rr_1sp1 1
65 1 2 . OR rr_1sp1 1
65 2 . 3 . rr_1sp1 1
65 3 . . . rr_1sp1 1
66 1 2 . OR rr_1sp1 1
66 2 . 3 . rr_1sp1 1
66 3 . . . rr_1sp1 1
67 1 2 . OR rr_1sp1 1
67 2 . 3 . rr_1sp1 1
67 3 . . . rr_1sp1 1
68 1 2 . OR rr_1sp1 1
68 2 . 3 . rr_1sp1 1
68 3 . . . rr_1sp1 1
69 1 2 . OR rr_1sp1 1
69 2 . 3 . rr_1sp1 1
69 3 . . . rr_1sp1 1
70 1 . . . rr_1sp1 1
71 1 2 . OR rr_1sp1 1
71 2 . 3 . rr_1sp1 1
71 3 . . . rr_1sp1 1
72 1 2 . OR rr_1sp1 1
72 2 . 3 . rr_1sp1 1
72 3 . . . rr_1sp1 1
73 1 . . . rr_1sp1 1
74 1 2 . OR rr_1sp1 1
74 2 . 3 . rr_1sp1 1
74 3 . . . rr_1sp1 1
75 1 2 . OR rr_1sp1 1
75 2 . 3 . rr_1sp1 1
75 3 . . . rr_1sp1 1
76 1 . . . rr_1sp1 1
77 1 . . . rr_1sp1 1
78 1 . . . rr_1sp1 1
79 1 . . . rr_1sp1 1
80 1 . . . rr_1sp1 1
81 1 . . . rr_1sp1 1
82 1 . . . rr_1sp1 1
83 1 . . . rr_1sp1 1
84 1 . . . rr_1sp1 1
85 1 . . . rr_1sp1 1
86 1 . . . rr_1sp1 1
87 1 . . . rr_1sp1 1
88 1 . . . rr_1sp1 1
89 1 . . . rr_1sp1 1
90 1 . . . rr_1sp1 1
91 1 2 . OR rr_1sp1 1
91 2 . 3 . rr_1sp1 1
91 3 . . . rr_1sp1 1
92 1 2 . OR rr_1sp1 1
92 2 . 3 . rr_1sp1 1
92 3 . . . rr_1sp1 1
93 1 . . . rr_1sp1 1
94 1 . . . rr_1sp1 1
95 1 . . . rr_1sp1 1
96 1 . . . rr_1sp1 1
97 1 . . . rr_1sp1 1
98 1 . . . rr_1sp1 1
99 1 . . . rr_1sp1 1
100 1 . . . rr_1sp1 1
101 1 . . . rr_1sp1 1
102 1 . . . rr_1sp1 1
103 1 2 . OR rr_1sp1 1
103 2 . 3 . rr_1sp1 1
103 3 . . . rr_1sp1 1
104 1 . . . rr_1sp1 1
105 1 . . . rr_1sp1 1
106 1 . . . rr_1sp1 1
107 1 . . . rr_1sp1 1
108 1 . . . rr_1sp1 1
109 1 2 . OR rr_1sp1 1
109 2 . 3 . rr_1sp1 1
109 3 . . . rr_1sp1 1
110 1 2 . OR rr_1sp1 1
110 2 . 3 . rr_1sp1 1
110 3 . . . rr_1sp1 1
111 1 2 . OR rr_1sp1 1
111 2 . 3 . rr_1sp1 1
111 3 . . . rr_1sp1 1
112 1 2 . OR rr_1sp1 1
112 2 . 3 . rr_1sp1 1
112 3 . . . rr_1sp1 1
113 1 2 . OR rr_1sp1 1
113 2 . 3 . rr_1sp1 1
113 3 . . . rr_1sp1 1
114 1 2 . OR rr_1sp1 1
114 2 . 3 . rr_1sp1 1
114 3 . . . rr_1sp1 1
115 1 2 . OR rr_1sp1 1
115 2 . 3 . rr_1sp1 1
115 3 . 4 . rr_1sp1 1
115 4 . 5 . rr_1sp1 1
115 5 . . . rr_1sp1 1
116 1 2 . OR rr_1sp1 1
116 2 . 3 . rr_1sp1 1
116 3 . 4 . rr_1sp1 1
116 4 . 5 . rr_1sp1 1
116 5 . . . rr_1sp1 1
117 1 2 . OR rr_1sp1 1
117 2 . 3 . rr_1sp1 1
117 3 . . . rr_1sp1 1
118 1 . . . rr_1sp1 1
119 1 2 . OR rr_1sp1 1
119 2 . 3 . rr_1sp1 1
119 3 . . . rr_1sp1 1
120 1 2 . OR rr_1sp1 1
120 2 . 3 . rr_1sp1 1
120 3 . . . rr_1sp1 1
121 1 . . . rr_1sp1 1
122 1 . . . rr_1sp1 1
123 1 2 . OR rr_1sp1 1
123 2 . 3 . rr_1sp1 1
123 3 . . . rr_1sp1 1
124 1 2 . OR rr_1sp1 1
124 2 . 3 . rr_1sp1 1
124 3 . 4 . rr_1sp1 1
124 4 . 5 . rr_1sp1 1
124 5 . . . rr_1sp1 1
125 1 . . . rr_1sp1 1
126 1 2 . OR rr_1sp1 1
126 2 . 3 . rr_1sp1 1
126 3 . . . rr_1sp1 1
127 1 . . . rr_1sp1 1
128 1 2 . OR rr_1sp1 1
128 2 . 3 . rr_1sp1 1
128 3 . . . rr_1sp1 1
129 1 . . . rr_1sp1 1
130 1 2 . OR rr_1sp1 1
130 2 . 3 . rr_1sp1 1
130 3 . . . rr_1sp1 1
131 1 . . . rr_1sp1 1
132 1 . . . rr_1sp1 1
133 1 2 . OR rr_1sp1 1
133 2 . 3 . rr_1sp1 1
133 3 . . . rr_1sp1 1
134 1 . . . rr_1sp1 1
135 1 2 . OR rr_1sp1 1
135 2 . 3 . rr_1sp1 1
135 3 . . . rr_1sp1 1
136 1 2 . OR rr_1sp1 1
136 2 . 3 . rr_1sp1 1
136 3 . . . rr_1sp1 1
137 1 2 . OR rr_1sp1 1
137 2 . 3 . rr_1sp1 1
137 3 . . . rr_1sp1 1
138 1 2 . OR rr_1sp1 1
138 2 . 3 . rr_1sp1 1
138 3 . . . rr_1sp1 1
139 1 2 . OR rr_1sp1 1
139 2 . 3 . rr_1sp1 1
139 3 . . . rr_1sp1 1
140 1 2 . OR rr_1sp1 1
140 2 . 3 . rr_1sp1 1
140 3 . . . rr_1sp1 1
141 1 2 . OR rr_1sp1 1
141 2 . 3 . rr_1sp1 1
141 3 . . . rr_1sp1 1
142 1 2 . OR rr_1sp1 1
142 2 . 3 . rr_1sp1 1
142 3 . . . rr_1sp1 1
143 1 2 . OR rr_1sp1 1
143 2 . 3 . rr_1sp1 1
143 3 . . . rr_1sp1 1
144 1 2 . OR rr_1sp1 1
144 2 . 3 . rr_1sp1 1
144 3 . . . rr_1sp1 1
145 1 2 . OR rr_1sp1 1
145 2 . 3 . rr_1sp1 1
145 3 . . . rr_1sp1 1
146 1 . . . rr_1sp1 1
147 1 . . . rr_1sp1 1
148 1 . . . rr_1sp1 1
149 1 . . . rr_1sp1 1
150 1 2 . OR rr_1sp1 1
150 2 . 3 . rr_1sp1 1
150 3 . . . rr_1sp1 1
151 1 2 . OR rr_1sp1 1
151 2 . 3 . rr_1sp1 1
151 3 . . . rr_1sp1 1
152 1 2 . OR rr_1sp1 1
152 2 . 3 . rr_1sp1 1
152 3 . . . rr_1sp1 1
153 1 2 . OR rr_1sp1 1
153 2 . 3 . rr_1sp1 1
153 3 . . . rr_1sp1 1
154 1 2 . OR rr_1sp1 1
154 2 . 3 . rr_1sp1 1
154 3 . . . rr_1sp1 1
155 1 . . . rr_1sp1 1
156 1 2 . OR rr_1sp1 1
156 2 . 3 . rr_1sp1 1
156 3 . . . rr_1sp1 1
157 1 2 . OR rr_1sp1 1
157 2 . 3 . rr_1sp1 1
157 3 . . . rr_1sp1 1
158 1 2 . OR rr_1sp1 1
158 2 . 3 . rr_1sp1 1
158 3 . . . rr_1sp1 1
159 1 2 . OR rr_1sp1 1
159 2 . 3 . rr_1sp1 1
159 3 . 4 . rr_1sp1 1
159 4 . 5 . rr_1sp1 1
159 5 . . . rr_1sp1 1
160 1 2 . OR rr_1sp1 1
160 2 . 3 . rr_1sp1 1
160 3 . 4 . rr_1sp1 1
160 4 . 5 . rr_1sp1 1
160 5 . . . rr_1sp1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
1 1 . 2 . 1 1 17 17 HIS H H . . . . 17 . HN rr_1sp1 1
2 1 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
2 1 . 2 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
3 2 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
3 2 . 2 . 1 1 15 15 SER HB2 H . . . . 15 . HB* rr_1sp1 1
3 3 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
3 3 . 2 . 1 1 15 15 SER HB3 H . . . . 15 . HB* rr_1sp1 1
4 1 . 1 . 1 1 15 15 SER H H . . . . 15 . HN rr_1sp1 1
4 1 . 2 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1sp1 1
5 1 . 1 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1sp1 1
5 1 . 2 . 1 1 13 13 MET HA H . . . . 13 . HA rr_1sp1 1
6 1 . 1 . 1 1 18 18 LEU H H . . . . 18 . HN rr_1sp1 1
6 1 . 2 . 1 1 17 17 HIS HA H . . . . 17 . HA rr_1sp1 1
7 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
7 1 . 2 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
8 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
8 1 . 2 . 1 1 18 18 LEU H H . . . . 18 . HN rr_1sp1 1
9 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
9 1 . 2 . 1 1 20 20 LYS H H . . . . 20 . HN rr_1sp1 1
10 1 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
10 1 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1sp1 1
11 2 . 1 . 1 1 20 20 LYS H H . . . . 20 . HN rr_1sp1 1
11 2 . 2 . 1 1 19 19 SER HB2 H . . . . 19 . HB* rr_1sp1 1
11 3 . 1 . 1 1 20 20 LYS H H . . . . 20 . HN rr_1sp1 1
11 3 . 2 . 1 1 19 19 SER HB3 H . . . . 19 . HB* rr_1sp1 1
12 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
12 1 . 2 . 1 1 16 16 ASP HA H . . . . 16 . HA rr_1sp1 1
13 1 . 1 . 1 1 20 20 LYS H H . . . . 20 . HN rr_1sp1 1
13 1 . 2 . 1 1 17 17 HIS HA H . . . . 17 . HA rr_1sp1 1
14 1 . 1 . 1 1 20 20 LYS H H . . . . 20 . HN rr_1sp1 1
14 1 . 2 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
15 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
15 1 . 2 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
16 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
16 1 . 2 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
17 1 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
17 1 . 2 . 1 1 20 20 LYS HA H . . . . 20 . HA rr_1sp1 1
18 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
18 1 . 2 . 1 1 21 21 HIS HA H . . . . 21 . HA rr_1sp1 1
19 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
19 1 . 2 . 1 1 19 19 SER HA H . . . . 19 . HA rr_1sp1 1
20 1 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
20 1 . 2 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
21 1 . 1 . 1 1 24 24 THR H H . . . . 24 . HN rr_1sp1 1
21 1 . 2 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
22 1 . 1 . 1 1 24 24 THR H H . . . . 24 . HN rr_1sp1 1
22 1 . 2 . 1 1 23 23 LYS HA H . . . . 23 . HA rr_1sp1 1
23 1 . 1 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
23 1 . 2 . 1 1 22 22 ILE HA H . . . . 22 . HA rr_1sp1 1
24 1 . 1 . 1 1 24 24 THR H H . . . . 24 . HN rr_1sp1 1
24 1 . 2 . 1 1 21 21 HIS HA H . . . . 21 . HA rr_1sp1 1
25 1 . 1 . 1 1 28 28 LYS H H . . . . 28 . HN rr_1sp1 1
25 1 . 2 . 1 1 28 28 LYS HA H . . . . 28 . HA rr_1sp1 1
26 1 . 1 . 1 1 29 29 LYS H H . . . . 29 . HN rr_1sp1 1
26 1 . 2 . 1 1 28 28 LYS HA H . . . . 28 . HA rr_1sp1 1
27 1 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
27 1 . 2 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1sp1 1
28 1 . 1 . 1 1 24 24 THR H H . . . . 24 . HN rr_1sp1 1
28 1 . 2 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
29 1 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
29 1 . 2 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
30 1 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
30 1 . 2 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
31 1 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
31 1 . 2 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
32 1 . 1 . 1 1 13 13 MET H H . . . . 13 . HN rr_1sp1 1
32 1 . 2 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1sp1 1
33 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
33 1 . 2 . 1 1 4 4 ALA MB H . . . . 4 . HB* rr_1sp1 1
34 1 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
34 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 . HA rr_1sp1 1
35 2 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
35 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 . HD* rr_1sp1 1
35 3 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
35 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 . HD* rr_1sp1 1
36 2 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
36 2 . 2 . 1 1 6 6 PRO HB2 H . . . . 6 . HB* rr_1sp1 1
36 3 . 1 . 1 1 7 7 GLU H H . . . . 7 . HN rr_1sp1 1
36 3 . 2 . 1 1 6 6 PRO HB3 H . . . . 6 . HB* rr_1sp1 1
37 1 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
37 1 . 2 . 1 1 7 7 GLU HA H . . . . 7 . HA rr_1sp1 1
38 1 . 1 . 1 1 28 28 LYS H H . . . . 28 . HN rr_1sp1 1
38 1 . 2 . 1 1 27 27 ASN HA H . . . . 27 . HA rr_1sp1 1
39 1 . 1 . 1 1 3 3 PHE H H . . . . 3 . HN rr_1sp1 1
39 1 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_1sp1 1
40 1 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
40 1 . 2 . 1 1 26 26 GLN HA H . . . . 26 . HA rr_1sp1 1
41 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
41 1 . 2 . 1 1 9 9 PRO HA H . . . . 9 . HA rr_1sp1 1
42 1 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
42 1 . 2 . 1 1 25 25 HIS HA H . . . . 25 . HA rr_1sp1 1
43 2 . 1 . 1 1 13 13 MET H H . . . . 13 . HN rr_1sp1 1
43 2 . 2 . 1 1 12 12 PHE HB2 H . . . . 12 . HB* rr_1sp1 1
43 3 . 1 . 1 1 13 13 MET H H . . . . 13 . HN rr_1sp1 1
43 3 . 2 . 1 1 12 12 PHE HB3 H . . . . 12 . HB* rr_1sp1 1
44 1 . 1 . 1 1 24 24 THR H H . . . . 24 . HN rr_1sp1 1
44 1 . 2 . 1 1 22 22 ILE HA H . . . . 22 . HA rr_1sp1 1
45 1 . 1 . 1 1 12 12 PHE H H . . . . 12 . HN rr_1sp1 1
45 1 . 2 . 1 1 4 4 ALA HA H . . . . 4 . HA rr_1sp1 1
46 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
46 1 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB2 rr_1sp1 1
47 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
47 1 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB1 rr_1sp1 1
48 2 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
48 2 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB* rr_1sp1 1
48 3 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
48 3 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB* rr_1sp1 1
49 2 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
49 2 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB* rr_1sp1 1
49 3 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
49 3 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB* rr_1sp1 1
50 1 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
50 1 . 2 . 1 1 22 22 ILE HA H . . . . 22 . HA rr_1sp1 1
51 1 . 1 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
51 1 . 2 . 1 1 23 23 LYS HA H . . . . 23 . HA rr_1sp1 1
52 1 . 1 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
52 1 . 2 . 1 1 24 24 THR HA H . . . . 24 . HA rr_1sp1 1
53 1 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
53 1 . 2 . 1 1 22 22 ILE MD H . . . . 22 . HD1* rr_1sp1 1
54 1 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
54 1 . 2 . 1 1 22 22 ILE MG H . . . . 22 . HG2* rr_1sp1 1
55 2 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
55 2 . 2 . 1 1 22 22 ILE HG12 H . . . . 22 . HG1* rr_1sp1 1
55 3 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
55 3 . 2 . 1 1 22 22 ILE HG13 H . . . . 22 . HG1* rr_1sp1 1
56 2 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
56 2 . 2 . 1 1 22 22 ILE HG12 H . . . . 22 . HG1* rr_1sp1 1
56 3 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
56 3 . 2 . 1 1 22 22 ILE HG13 H . . . . 22 . HG1* rr_1sp1 1
57 1 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
57 1 . 2 . 1 1 22 22 ILE HB H . . . . 22 . HB* rr_1sp1 1
58 2 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
58 2 . 2 . 1 1 7 7 GLU HB2 H . . . . 7 . HB* rr_1sp1 1
58 3 . 1 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
58 3 . 2 . 1 1 7 7 GLU HB3 H . . . . 7 . HB* rr_1sp1 1
59 2 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
59 2 . 2 . 1 1 7 7 GLU HB2 H . . . . 7 . HB* rr_1sp1 1
59 3 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
59 3 . 2 . 1 1 7 7 GLU HB3 H . . . . 7 . HB* rr_1sp1 1
60 2 . 1 . 1 1 7 7 GLU HB2 H . . . . 7 . HB* rr_1sp1 1
60 2 . 2 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
60 3 . 1 . 1 1 7 7 GLU HB3 H . . . . 7 . HB* rr_1sp1 1
60 3 . 2 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
61 2 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
61 2 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 . HB* rr_1sp1 1
61 3 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
61 3 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 . HB* rr_1sp1 1
62 2 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
62 2 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 . HG* rr_1sp1 1
62 3 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
62 3 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 . HG* rr_1sp1 1
63 2 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
63 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 . HD* rr_1sp1 1
63 3 . 1 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
63 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 . HD* rr_1sp1 1
64 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
64 2 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 . HG* rr_1sp1 1
64 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
64 3 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 . HG* rr_1sp1 1
65 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
65 2 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 . HB* rr_1sp1 1
65 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
65 3 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 . HB* rr_1sp1 1
66 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
66 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 . HD* rr_1sp1 1
66 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
66 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 . HD* rr_1sp1 1
67 2 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
67 2 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 . HB* rr_1sp1 1
67 3 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
67 3 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 . HB* rr_1sp1 1
68 2 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
68 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 . HD* rr_1sp1 1
68 3 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
68 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 . HD* rr_1sp1 1
69 2 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
69 2 . 2 . 1 1 18 18 LEU HB2 H . . . . 18 . HB* rr_1sp1 1
69 3 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
69 3 . 2 . 1 1 18 18 LEU HB3 H . . . . 18 . HB* rr_1sp1 1
70 1 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
70 1 . 2 . 1 1 18 18 LEU HG H . . . . 18 . HG rr_1sp1 1
71 2 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
71 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
71 3 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
71 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
72 2 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
72 2 . 2 . 1 1 2 2 LYS HB2 H . . . . 2 . HB* rr_1sp1 1
72 3 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
72 3 . 2 . 1 1 2 2 LYS HB3 H . . . . 2 . HB* rr_1sp1 1
73 1 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
73 1 . 2 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
74 2 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
74 2 . 2 . 1 1 15 15 SER HB2 H . . . . 15 . HB* rr_1sp1 1
74 3 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
74 3 . 2 . 1 1 15 15 SER HB3 H . . . . 15 . HB* rr_1sp1 1
75 2 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
75 2 . 2 . 1 1 15 15 SER HB2 H . . . . 15 . HB* rr_1sp1 1
75 3 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
75 3 . 2 . 1 1 15 15 SER HB3 H . . . . 15 . HB* rr_1sp1 1
76 1 . 1 . 1 1 15 15 SER H H . . . . 15 . HN rr_1sp1 1
76 1 . 2 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
77 1 . 1 . 1 1 15 15 SER H H . . . . 15 . HN rr_1sp1 1
77 1 . 2 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
78 1 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
78 1 . 2 . 1 1 13 13 MET HA H . . . . 13 . HA rr_1sp1 1
79 1 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
79 1 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_1sp1 1
80 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
80 1 . 2 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
81 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
81 1 . 2 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
82 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
82 1 . 2 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
83 1 . 1 . 1 1 22 22 ILE H H . . . . 22 . HN rr_1sp1 1
83 1 . 2 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
84 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
84 1 . 2 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
85 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
85 1 . 2 . 1 1 25 25 HIS HD2 H . . . . 25 . HD2 rr_1sp1 1
86 1 . 1 . 1 1 21 21 HIS HE1 H . . . . 21 . HE1 rr_1sp1 1
86 1 . 2 . 1 1 12 12 PHE HZ H . . . . 12 . HZ rr_1sp1 1
87 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
87 1 . 2 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
88 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
88 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
89 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
89 1 . 2 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
90 1 . 1 . 1 1 21 21 HIS HE1 H . . . . 21 . HE1 rr_1sp1 1
90 1 . 2 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
91 2 . 1 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
91 2 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
91 3 . 1 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
91 3 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
92 2 . 1 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
92 2 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
92 3 . 1 . 1 1 25 25 HIS HE1 H . . . . 25 . HE1 rr_1sp1 1
92 3 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
93 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
93 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
94 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
94 1 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB2 rr_1sp1 1
95 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
95 1 . 2 . 1 1 22 22 ILE HA H . . . . 22 . HA rr_1sp1 1
96 1 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
96 1 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB2 rr_1sp1 1
97 1 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
97 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
98 1 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
98 1 . 2 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1sp1 1
99 1 . 1 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
99 1 . 2 . 1 1 22 22 ILE MD H . . . . 22 . HD1* rr_1sp1 1
100 1 . 1 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
100 1 . 2 . 1 1 22 22 ILE MG H . . . . 22 . HG2* rr_1sp1 1
101 1 . 1 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
101 1 . 2 . 1 1 22 22 ILE HA H . . . . 22 . HA rr_1sp1 1
102 1 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
102 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
103 2 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
103 2 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB* rr_1sp1 1
103 3 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
103 3 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB* rr_1sp1 1
104 1 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
104 1 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB2 rr_1sp1 1
105 1 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
105 1 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB2 rr_1sp1 1
106 1 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
106 1 . 2 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
107 1 . 1 . 1 1 12 12 PHE QD H . . . . 12 . HD* rr_1sp1 1
107 1 . 2 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
108 1 . 1 . 1 1 12 12 PHE QE H . . . . 12 . HE* rr_1sp1 1
108 1 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB1 rr_1sp1 1
109 2 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
109 2 . 2 . 1 1 20 20 LYS HB2 H . . . . 20 . HB* rr_1sp1 1
109 3 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
109 3 . 2 . 1 1 20 20 LYS HB3 H . . . . 20 . HB* rr_1sp1 1
110 2 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
110 2 . 2 . 1 1 20 20 LYS HG2 H . . . . 20 . HG* rr_1sp1 1
110 3 . 1 . 1 1 21 21 HIS H H . . . . 21 . HN rr_1sp1 1
110 3 . 2 . 1 1 20 20 LYS HG3 H . . . . 20 . HG* rr_1sp1 1
111 2 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
111 2 . 2 . 1 1 14 14 ARG HG2 H . . . . 14 . HG* rr_1sp1 1
111 3 . 1 . 1 1 16 16 ASP H H . . . . 16 . HN rr_1sp1 1
111 3 . 2 . 1 1 14 14 ARG HG3 H . . . . 14 . HG* rr_1sp1 1
112 2 . 1 . 1 1 15 15 SER H H . . . . 15 . HN rr_1sp1 1
112 2 . 2 . 1 1 14 14 ARG HG2 H . . . . 14 . HG* rr_1sp1 1
112 3 . 1 . 1 1 15 15 SER H H . . . . 15 . HN rr_1sp1 1
112 3 . 2 . 1 1 14 14 ARG HG3 H . . . . 14 . HG* rr_1sp1 1
113 2 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
113 2 . 2 . 1 1 25 25 HIS HB2 H . . . . 25 . HB* rr_1sp1 1
113 3 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
113 3 . 2 . 1 1 25 25 HIS HB3 H . . . . 25 . HB* rr_1sp1 1
114 2 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
114 2 . 2 . 1 1 25 25 HIS HB2 H . . . . 25 . HB* rr_1sp1 1
114 3 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
114 3 . 2 . 1 1 25 25 HIS HB3 H . . . . 25 . HB* rr_1sp1 1
115 2 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
115 2 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
115 3 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
115 3 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
115 4 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
115 4 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
115 5 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
115 5 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
116 2 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
116 2 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
116 3 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
116 3 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
116 4 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
116 4 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
116 5 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
116 5 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
117 2 . 1 . 1 1 16 16 ASP HA H . . . . 16 . HA rr_1sp1 1
117 2 . 2 . 1 1 19 19 SER HB2 H . . . . 19 . HB* rr_1sp1 1
117 3 . 1 . 1 1 16 16 ASP HA H . . . . 16 . HA rr_1sp1 1
117 3 . 2 . 1 1 19 19 SER HB3 H . . . . 19 . HB* rr_1sp1 1
118 1 . 1 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
118 1 . 2 . 1 1 18 18 LEU HG H . . . . 18 . HG rr_1sp1 1
119 2 . 1 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
119 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
119 3 . 1 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
119 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
120 2 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
120 2 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
120 3 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
120 3 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
121 1 . 1 . 1 1 19 19 SER HA H . . . . 19 . HA rr_1sp1 1
121 1 . 2 . 1 1 22 22 ILE HB H . . . . 22 . HB* rr_1sp1 1
122 1 . 1 . 1 1 19 19 SER HA H . . . . 19 . HA rr_1sp1 1
122 1 . 2 . 1 1 22 22 ILE MD H . . . . 22 . HD1* rr_1sp1 1
123 2 . 1 . 1 1 21 21 HIS HA H . . . . 21 . HA rr_1sp1 1
123 2 . 2 . 1 1 24 24 THR MG H . . . . 24 . HG* rr_1sp1 1
123 3 . 1 . 1 1 21 21 HIS HA H . . . . 21 . HA rr_1sp1 1
123 3 . 2 . 1 1 24 24 THR HG1 H . . . . 24 . HG* rr_1sp1 1
124 2 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
124 2 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
124 3 . 1 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
124 3 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
124 4 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
124 4 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 . HB* rr_1sp1 1
124 5 . 1 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
124 5 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 . HB* rr_1sp1 1
125 1 . 1 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
125 1 . 2 . 1 1 21 21 HIS HB3 H . . . . 21 . HB1 rr_1sp1 1
126 2 . 1 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
126 2 . 2 . 1 1 18 18 LEU HB2 H . . . . 18 . HB* rr_1sp1 1
126 3 . 1 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
126 3 . 2 . 1 1 18 18 LEU HB3 H . . . . 18 . HB* rr_1sp1 1
127 1 . 1 . 1 1 18 18 LEU HA H . . . . 18 . HA rr_1sp1 1
127 1 . 2 . 1 1 21 21 HIS HB2 H . . . . 21 . HB2 rr_1sp1 1
128 2 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
128 2 . 2 . 1 1 22 22 ILE HG12 H . . . . 22 . HG1* rr_1sp1 1
128 3 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
128 3 . 2 . 1 1 22 22 ILE HG13 H . . . . 22 . HG1* rr_1sp1 1
129 1 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
129 1 . 2 . 1 1 22 22 ILE MD H . . . . 22 . HD1* rr_1sp1 1
130 2 . 1 . 1 1 12 12 PHE H H . . . . 12 . HN rr_1sp1 1
130 2 . 2 . 1 1 11 11 ARG HB2 H . . . . 11 . HB* rr_1sp1 1
130 3 . 1 . 1 1 12 12 PHE H H . . . . 12 . HN rr_1sp1 1
130 3 . 2 . 1 1 11 11 ARG HB3 H . . . . 11 . HB* rr_1sp1 1
131 1 . 1 . 1 1 18 18 LEU H H . . . . 18 . HN rr_1sp1 1
131 1 . 2 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
132 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
132 1 . 2 . 1 1 15 15 SER HA H . . . . 15 . HA rr_1sp1 1
133 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
133 2 . 2 . 1 1 10 10 LYS HE2 H . . . . 10 . HE* rr_1sp1 1
133 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1sp1 1
133 3 . 2 . 1 1 10 10 LYS HE3 H . . . . 10 . HE* rr_1sp1 1
134 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
134 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB1 rr_1sp1 1
135 2 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
135 2 . 2 . 1 1 9 9 PRO HB2 H . . . . 9 . HB* rr_1sp1 1
135 3 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
135 3 . 2 . 1 1 9 9 PRO HB3 H . . . . 9 . HB* rr_1sp1 1
136 2 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
136 2 . 2 . 1 1 9 9 PRO HD2 H . . . . 9 . HD* rr_1sp1 1
136 3 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1sp1 1
136 3 . 2 . 1 1 9 9 PRO HD3 H . . . . 9 . HD* rr_1sp1 1
137 2 . 1 . 1 1 28 28 LYS H H . . . . 28 . HN rr_1sp1 1
137 2 . 2 . 1 1 27 27 ASN HB2 H . . . . 27 . HB* rr_1sp1 1
137 3 . 1 . 1 1 28 28 LYS H H . . . . 28 . HN rr_1sp1 1
137 3 . 2 . 1 1 27 27 ASN HB3 H . . . . 27 . HB* rr_1sp1 1
138 2 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
138 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
138 3 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
138 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
139 2 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
139 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
139 3 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
139 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
140 2 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
140 2 . 2 . 1 1 22 22 ILE HG12 H . . . . 22 . HG1* rr_1sp1 1
140 3 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1sp1 1
140 3 . 2 . 1 1 22 22 ILE HG13 H . . . . 22 . HG1* rr_1sp1 1
141 2 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
141 2 . 2 . 1 1 26 26 GLN HB2 H . . . . 26 . HB* rr_1sp1 1
141 3 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
141 3 . 2 . 1 1 26 26 GLN HB3 H . . . . 26 . HB* rr_1sp1 1
142 2 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
142 2 . 2 . 1 1 26 26 GLN HB2 H . . . . 26 . HB* rr_1sp1 1
142 3 . 1 . 1 1 27 27 ASN H H . . . . 27 . HN rr_1sp1 1
142 3 . 2 . 1 1 26 26 GLN HB3 H . . . . 26 . HB* rr_1sp1 1
143 2 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
143 2 . 2 . 1 1 18 18 LEU HB2 H . . . . 18 . HB* rr_1sp1 1
143 3 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
143 3 . 2 . 1 1 18 18 LEU HB3 H . . . . 18 . HB* rr_1sp1 1
144 2 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
144 2 . 2 . 1 1 7 7 GLU HG2 H . . . . 7 . HG* rr_1sp1 1
144 3 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
144 3 . 2 . 1 1 7 7 GLU HG3 H . . . . 7 . HG* rr_1sp1 1
145 2 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
145 2 . 2 . 1 1 7 7 GLU HG2 H . . . . 7 . HG* rr_1sp1 1
145 3 . 1 . 1 1 8 8 CYS H H . . . . 8 . HN rr_1sp1 1
145 3 . 2 . 1 1 7 7 GLU HG3 H . . . . 7 . HG* rr_1sp1 1
146 1 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
146 1 . 2 . 1 1 23 23 LYS HA H . . . . 23 . HA rr_1sp1 1
147 1 . 1 . 1 1 26 26 GLN H H . . . . 26 . HN rr_1sp1 1
147 1 . 2 . 1 1 24 24 THR HA H . . . . 24 . HA rr_1sp1 1
148 1 . 1 . 1 1 23 23 LYS H H . . . . 23 . HN rr_1sp1 1
148 1 . 2 . 1 1 22 22 ILE HB H . . . . 22 . HB* rr_1sp1 1
149 1 . 1 . 1 1 25 25 HIS H H . . . . 25 . HN rr_1sp1 1
149 1 . 2 . 1 1 24 24 THR MG H . . . . 24 . HG2* rr_1sp1 1
150 2 . 1 . 1 1 3 3 PHE H H . . . . 3 . HN rr_1sp1 1
150 2 . 2 . 1 1 2 2 LYS HB2 H . . . . 2 . HB* rr_1sp1 1
150 3 . 1 . 1 1 3 3 PHE H H . . . . 3 . HN rr_1sp1 1
150 3 . 2 . 1 1 2 2 LYS HB3 H . . . . 2 . HB* rr_1sp1 1
151 2 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
151 2 . 2 . 1 1 2 2 LYS HB2 H . . . . 2 . HB* rr_1sp1 1
151 3 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
151 3 . 2 . 1 1 2 2 LYS HB3 H . . . . 2 . HB* rr_1sp1 1
152 2 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
152 2 . 2 . 1 1 2 2 LYS HD2 H . . . . 2 . HD* rr_1sp1 1
152 3 . 1 . 1 1 3 3 PHE QE H . . . . 3 . HE* rr_1sp1 1
152 3 . 2 . 1 1 2 2 LYS HD3 H . . . . 2 . HD* rr_1sp1 1
153 2 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
153 2 . 2 . 1 1 2 2 LYS HD2 H . . . . 2 . HD* rr_1sp1 1
153 3 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
153 3 . 2 . 1 1 2 2 LYS HD3 H . . . . 2 . HD* rr_1sp1 1
154 2 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
154 2 . 2 . 1 1 22 22 ILE HG12 H . . . . 22 . HG1* rr_1sp1 1
154 3 . 1 . 1 1 21 21 HIS HD2 H . . . . 21 . HD2 rr_1sp1 1
154 3 . 2 . 1 1 22 22 ILE HG13 H . . . . 22 . HG1* rr_1sp1 1
155 1 . 1 . 1 1 19 19 SER H H . . . . 19 . HN rr_1sp1 1
155 1 . 2 . 1 1 18 18 LEU HG H . . . . 18 . HG rr_1sp1 1
156 2 . 1 . 1 1 18 18 LEU HB2 H . . . . 18 . HB* rr_1sp1 1
156 2 . 2 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
156 3 . 1 . 1 1 18 18 LEU HB3 H . . . . 18 . HB* rr_1sp1 1
156 3 . 2 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
157 2 . 1 . 1 1 4 4 ALA H H . . . . 4 . HN rr_1sp1 1
157 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
157 3 . 1 . 1 1 4 4 ALA H H . . . . 4 . HN rr_1sp1 1
157 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
158 2 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
158 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
158 3 . 1 . 1 1 3 3 PHE QD H . . . . 3 . HD* rr_1sp1 1
158 3 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
159 2 . 1 . 1 1 3 3 PHE HB3 H . . . . 3 . HB* rr_1sp1 1
159 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
159 3 . 1 . 1 1 3 3 PHE HB2 H . . . . 3 . HB* rr_1sp1 1
159 3 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
159 4 . 1 . 1 1 3 3 PHE HB2 H . . . . 3 . HB* rr_1sp1 1
159 4 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
159 5 . 1 . 1 1 3 3 PHE HB3 H . . . . 3 . HB* rr_1sp1 1
159 5 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
160 2 . 1 . 1 1 3 3 PHE HB3 H . . . . 3 . HB* rr_1sp1 1
160 2 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
160 3 . 1 . 1 1 3 3 PHE HB2 H . . . . 3 . HB* rr_1sp1 1
160 3 . 2 . 1 1 18 18 LEU MD1 H . . . . 18 . HD* rr_1sp1 1
160 4 . 1 . 1 1 3 3 PHE HB2 H . . . . 3 . HB* rr_1sp1 1
160 4 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
160 5 . 1 . 1 1 3 3 PHE HB3 H . . . . 3 . HB* rr_1sp1 1
160 5 . 2 . 1 1 18 18 LEU MD2 H . . . . 18 . HD* rr_1sp1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.821 2.343 3.299 rr_1sp1 1
2 1 . . . . . . 3.708 2.883 4.533 rr_1sp1 1
3 2 . . . . . . 3.611 2.028 5.194 rr_1sp1 1
3 3 . . . . . . 3.611 2.028 5.194 rr_1sp1 1
4 1 . . . . . . 2.641 2.223 3.059 rr_1sp1 1
5 1 . . . . . . 3.382 2.696 4.068 rr_1sp1 1
6 1 . . . . . . 3.258 2.621 3.895 rr_1sp1 1
7 1 . . . . . . 3.406 2.710 4.102 rr_1sp1 1
8 1 . . . . . . 2.743 2.292 3.194 rr_1sp1 1
9 1 . . . . . . 2.838 2.355 3.321 rr_1sp1 1
10 1 . . . . . . 2.342 2.013 2.671 rr_1sp1 1
11 2 . . . . . . 3.002 1.661 4.343 rr_1sp1 1
11 3 . . . . . . 3.002 1.661 4.343 rr_1sp1 1
12 1 . . . . . . 3.005 2.463 3.547 rr_1sp1 1
13 1 . . . . . . 3.074 2.507 3.641 rr_1sp1 1
14 1 . . . . . . 3.153 2.556 3.750 rr_1sp1 1
15 1 . . . . . . 2.821 2.343 3.299 rr_1sp1 1
16 1 . . . . . . 2.765 2.306 3.224 rr_1sp1 1
17 1 . . . . . . 3.214 2.594 3.834 rr_1sp1 1
18 1 . . . . . . 3.142 2.550 3.734 rr_1sp1 1
19 1 . . . . . . 3.042 2.487 3.597 rr_1sp1 1
20 1 . . . . . . 3.217 2.596 3.838 rr_1sp1 1
21 1 . . . . . . 3.380 2.695 4.065 rr_1sp1 1
22 1 . . . . . . 2.840 2.356 3.324 rr_1sp1 1
23 1 . . . . . . 3.516 2.774 4.258 rr_1sp1 1
24 1 . . . . . . 3.736 2.898 4.574 rr_1sp1 1
25 1 . . . . . . 2.823 2.345 3.301 rr_1sp1 1
26 1 . . . . . . 2.415 2.065 2.765 rr_1sp1 1
27 1 . . . . . . 3.208 2.591 3.825 rr_1sp1 1
28 1 . . . . . . 2.763 2.305 3.221 rr_1sp1 1
29 1 . . . . . . 2.860 2.369 3.351 rr_1sp1 1
30 1 . . . . . . 3.012 2.468 3.556 rr_1sp1 1
31 1 . . . . . . 2.530 2.146 2.914 rr_1sp1 1
32 1 . . . . . . 3.253 2.618 3.888 rr_1sp1 1
33 1 . . . . . . 3.122 2.537 3.707 rr_1sp1 1
34 1 . . . . . . 3.652 2.852 4.452 rr_1sp1 1
35 2 . . . . . . 3.340 1.870 4.810 rr_1sp1 1
35 3 . . . . . . 3.340 1.870 4.810 rr_1sp1 1
36 2 . . . . . . 2.737 1.487 3.987 rr_1sp1 1
36 3 . . . . . . 2.737 1.487 3.987 rr_1sp1 1
37 1 . . . . . . 2.906 2.399 3.413 rr_1sp1 1
38 1 . . . . . . 2.614 2.204 3.024 rr_1sp1 1
39 1 . . . . . . 2.543 2.155 2.931 rr_1sp1 1
40 1 . . . . . . 2.551 2.161 2.941 rr_1sp1 1
41 1 . . . . . . 3.355 2.680 4.030 rr_1sp1 1
42 1 . . . . . . 2.904 2.398 3.410 rr_1sp1 1
43 2 . . . . . . 4.134 2.309 5.959 rr_1sp1 1
43 3 . . . . . . 4.134 2.309 5.959 rr_1sp1 1
44 1 . . . . . . 3.474 2.750 4.198 rr_1sp1 1
45 1 . . . . . . 4.140 3.111 5.169 rr_1sp1 1
46 1 . . . . . . 3.361 2.683 4.039 rr_1sp1 1
47 1 . . . . . . 3.018 2.471 3.565 rr_1sp1 1
48 2 . . . . . . 3.028 1.678 4.378 rr_1sp1 1
48 3 . . . . . . 3.028 1.678 4.378 rr_1sp1 1
49 2 . . . . . . 3.175 1.770 4.580 rr_1sp1 1
49 3 . . . . . . 3.175 1.770 4.580 rr_1sp1 1
50 1 . . . . . . 2.411 2.062 2.760 rr_1sp1 1
51 1 . . . . . . 3.144 2.551 3.737 rr_1sp1 1
52 1 . . . . . . 3.053 2.494 3.612 rr_1sp1 1
53 1 . . . . . . 3.765 1.914 5.616 rr_1sp1 1
54 1 . . . . . . 3.425 1.721 5.129 rr_1sp1 1
55 2 . . . . . . 2.787 1.521 4.053 rr_1sp1 1
55 3 . . . . . . 2.787 1.521 4.053 rr_1sp1 1
56 2 . . . . . . 2.972 1.642 4.302 rr_1sp1 1
56 3 . . . . . . 2.972 1.642 4.302 rr_1sp1 1
57 1 . . . . . . 3.327 1.863 4.791 rr_1sp1 1
58 2 . . . . . . 2.897 1.594 4.200 rr_1sp1 1
58 3 . . . . . . 2.897 1.594 4.200 rr_1sp1 1
59 2 . . . . . . 2.787 1.521 4.053 rr_1sp1 1
59 3 . . . . . . 2.787 1.521 4.053 rr_1sp1 1
60 2 . . . . . . 3.097 1.721 4.473 rr_1sp1 1
60 3 . . . . . . 3.097 1.721 4.473 rr_1sp1 1
61 2 . . . . . . 3.101 1.724 4.478 rr_1sp1 1
61 3 . . . . . . 3.101 1.724 4.478 rr_1sp1 1
62 2 . . . . . . 2.850 1.563 4.137 rr_1sp1 1
62 3 . . . . . . 2.850 1.563 4.137 rr_1sp1 1
63 2 . . . . . . 2.685 1.452 3.918 rr_1sp1 1
63 3 . . . . . . 2.685 1.452 3.918 rr_1sp1 1
64 2 . . . . . . 2.832 1.551 4.113 rr_1sp1 1
64 3 . . . . . . 2.832 1.551 4.113 rr_1sp1 1
65 2 . . . . . . 2.830 1.549 4.111 rr_1sp1 1
65 3 . . . . . . 2.830 1.549 4.111 rr_1sp1 1
66 2 . . . . . . 2.563 1.369 3.757 rr_1sp1 1
66 3 . . . . . . 2.563 1.369 3.757 rr_1sp1 1
67 2 . . . . . . 2.901 -0.404 6.206 rr_1sp1 1
67 3 . . . . . . 2.901 -0.404 6.206 rr_1sp1 1
68 2 . . . . . . 2.803 -0.469 6.075 rr_1sp1 1
68 3 . . . . . . 2.803 -0.469 6.075 rr_1sp1 1
69 2 . . . . . . 3.275 -0.169 6.719 rr_1sp1 1
69 3 . . . . . . 3.275 -0.169 6.719 rr_1sp1 1
70 1 . . . . . . 3.018 0.471 5.565 rr_1sp1 1
71 2 . . . . . . 2.987 -1.048 7.022 rr_1sp1 1
71 3 . . . . . . 2.987 -1.048 7.022 rr_1sp1 1
72 2 . . . . . . 2.792 -0.476 6.060 rr_1sp1 1
72 3 . . . . . . 2.792 -0.476 6.060 rr_1sp1 1
73 1 . . . . . . 2.960 0.434 5.486 rr_1sp1 1
74 2 . . . . . . 2.771 -0.490 6.032 rr_1sp1 1
74 3 . . . . . . 2.771 -0.490 6.032 rr_1sp1 1
75 2 . . . . . . 3.002 -0.339 6.343 rr_1sp1 1
75 3 . . . . . . 3.002 -0.339 6.343 rr_1sp1 1
76 1 . . . . . . 3.379 0.694 6.064 rr_1sp1 1
77 1 . . . . . . 2.986 0.451 5.521 rr_1sp1 1
78 1 . . . . . . 3.135 0.545 5.725 rr_1sp1 1
79 1 . . . . . . 3.128 0.541 5.715 rr_1sp1 1
80 1 . . . . . . 3.214 2.594 3.834 rr_1sp1 1
81 1 . . . . . . 3.317 0.657 5.977 rr_1sp1 1
82 1 . . . . . . 3.860 0.966 6.754 rr_1sp1 1
83 1 . . . . . . 4.025 3.053 4.997 rr_1sp1 1
84 1 . . . . . . 3.494 2.761 4.227 rr_1sp1 1
85 1 . . . . . . 3.241 2.611 3.871 rr_1sp1 1
86 1 . . . . . . 3.363 2.685 4.041 rr_1sp1 1
87 1 . . . . . . 3.113 0.532 5.694 rr_1sp1 1
88 1 . . . . . . 3.500 2.765 4.235 rr_1sp1 1
89 1 . . . . . . 3.944 1.011 6.877 rr_1sp1 1
90 1 . . . . . . 3.385 0.698 6.072 rr_1sp1 1
91 2 . . . . . . 2.571 1.374 3.768 rr_1sp1 1
91 3 . . . . . . 2.571 1.374 3.768 rr_1sp1 1
92 2 . . . . . . 2.921 1.609 4.233 rr_1sp1 1
92 3 . . . . . . 2.921 1.609 4.233 rr_1sp1 1
93 1 . . . . . . 2.921 2.409 3.433 rr_1sp1 1
94 1 . . . . . . 2.760 2.303 3.217 rr_1sp1 1
95 1 . . . . . . 2.938 2.420 3.456 rr_1sp1 1
96 1 . . . . . . 3.154 2.557 3.751 rr_1sp1 1
97 1 . . . . . . 2.830 2.350 3.310 rr_1sp1 1
98 1 . . . . . . 2.748 0.295 5.201 rr_1sp1 1
99 1 . . . . . . 3.909 1.992 5.826 rr_1sp1 1
100 1 . . . . . . 3.605 1.825 5.385 rr_1sp1 1
101 1 . . . . . . 3.253 2.618 3.888 rr_1sp1 1
102 1 . . . . . . 2.901 0.393 5.409 rr_1sp1 1
103 2 . . . . . . 3.353 -0.122 6.828 rr_1sp1 1
103 3 . . . . . . 3.353 -0.122 6.828 rr_1sp1 1
104 1 . . . . . . 3.353 0.678 6.028 rr_1sp1 1
105 1 . . . . . . 3.050 0.492 5.608 rr_1sp1 1
106 1 . . . . . . 3.231 0.605 5.857 rr_1sp1 1
107 1 . . . . . . 2.716 0.273 5.159 rr_1sp1 1
108 1 . . . . . . 3.221 0.598 5.844 rr_1sp1 1
109 2 . . . . . . 2.918 1.607 4.229 rr_1sp1 1
109 3 . . . . . . 2.918 1.607 4.229 rr_1sp1 1
110 2 . . . . . . 3.482 1.954 5.010 rr_1sp1 1
110 3 . . . . . . 3.482 1.954 5.010 rr_1sp1 1
111 2 . . . . . . 3.123 1.738 4.508 rr_1sp1 1
111 3 . . . . . . 3.123 1.738 4.508 rr_1sp1 1
112 2 . . . . . . 3.180 1.773 4.587 rr_1sp1 1
112 3 . . . . . . 3.180 1.773 4.587 rr_1sp1 1
113 2 . . . . . . 3.081 2.511 3.651 rr_1sp1 1
113 3 . . . . . . 3.081 2.511 3.651 rr_1sp1 1
114 2 . . . . . . 3.164 1.763 4.565 rr_1sp1 1
114 3 . . . . . . 3.164 1.763 4.565 rr_1sp1 1
115 2 . . . . . . 3.171 0.968 5.374 rr_1sp1 1
115 3 . . . . . . 3.171 0.968 5.374 rr_1sp1 1
115 4 . . . . . . 3.171 0.968 5.374 rr_1sp1 1
115 5 . . . . . . 3.171 0.968 5.374 rr_1sp1 1
116 2 . . . . . . 3.122 0.937 5.307 rr_1sp1 1
116 3 . . . . . . 3.122 0.937 5.307 rr_1sp1 1
116 4 . . . . . . 3.122 0.937 5.307 rr_1sp1 1
116 5 . . . . . . 3.122 0.937 5.307 rr_1sp1 1
117 2 . . . . . . 3.192 1.781 4.603 rr_1sp1 1
117 3 . . . . . . 3.192 1.781 4.603 rr_1sp1 1
118 1 . . . . . . 2.969 2.440 3.498 rr_1sp1 1
119 2 . . . . . . 3.310 1.153 5.467 rr_1sp1 1
119 3 . . . . . . 3.310 1.153 5.467 rr_1sp1 1
120 2 . . . . . . 3.681 1.368 5.994 rr_1sp1 1
120 3 . . . . . . 3.681 1.368 5.994 rr_1sp1 1
121 1 . . . . . . 2.888 1.588 4.188 rr_1sp1 1
122 1 . . . . . . 3.180 1.572 4.788 rr_1sp1 1
123 2 . . . . . . 2.792 1.524 4.060 rr_1sp1 1
123 3 . . . . . . 2.792 1.524 4.060 rr_1sp1 1
124 2 . . . . . . 2.908 0.800 5.016 rr_1sp1 1
124 3 . . . . . . 2.908 0.800 5.016 rr_1sp1 1
124 4 . . . . . . 2.908 0.800 5.016 rr_1sp1 1
124 5 . . . . . . 2.908 0.800 5.016 rr_1sp1 1
125 1 . . . . . . 2.866 2.373 3.359 rr_1sp1 1
126 2 . . . . . . 2.771 1.510 4.032 rr_1sp1 1
126 3 . . . . . . 2.771 1.510 4.032 rr_1sp1 1
127 1 . . . . . . 3.712 2.885 4.539 rr_1sp1 1
128 2 . . . . . . 2.775 1.513 4.037 rr_1sp1 1
128 3 . . . . . . 2.775 1.513 4.037 rr_1sp1 1
129 1 . . . . . . 3.652 2.852 4.452 rr_1sp1 1
130 2 . . . . . . 2.568 1.372 3.764 rr_1sp1 1
130 3 . . . . . . 2.568 1.372 3.764 rr_1sp1 1
131 1 . . . . . . 3.187 2.578 3.796 rr_1sp1 1
132 1 . . . . . . 3.177 2.571 3.783 rr_1sp1 1
133 2 . . . . . . 3.076 1.708 4.444 rr_1sp1 1
133 3 . . . . . . 3.076 1.708 4.444 rr_1sp1 1
134 1 . . . . . . 3.645 2.848 4.442 rr_1sp1 1
135 2 . . . . . . 3.743 2.102 5.384 rr_1sp1 1
135 3 . . . . . . 3.743 2.102 5.384 rr_1sp1 1
136 2 . . . . . . 3.677 2.066 5.288 rr_1sp1 1
136 3 . . . . . . 3.677 2.066 5.288 rr_1sp1 1
137 2 . . . . . . 3.250 1.816 4.684 rr_1sp1 1
137 3 . . . . . . 3.250 1.816 4.684 rr_1sp1 1
138 2 . . . . . . 3.610 1.328 5.892 rr_1sp1 1
138 3 . . . . . . 3.610 1.328 5.892 rr_1sp1 1
139 2 . . . . . . 3.610 1.068 6.152 rr_1sp1 1
139 3 . . . . . . 3.610 1.068 6.152 rr_1sp1 1
140 2 . . . . . . 2.657 1.433 3.881 rr_1sp1 1
140 3 . . . . . . 2.657 1.433 3.881 rr_1sp1 1
141 2 . . . . . . 3.168 1.766 4.570 rr_1sp1 1
141 3 . . . . . . 3.168 1.766 4.570 rr_1sp1 1
142 2 . . . . . . 2.842 1.557 4.127 rr_1sp1 1
142 3 . . . . . . 2.842 1.557 4.127 rr_1sp1 1
143 2 . . . . . . 2.777 1.514 4.040 rr_1sp1 1
143 3 . . . . . . 2.777 1.514 4.040 rr_1sp1 1
144 2 . . . . . . 2.946 1.625 4.267 rr_1sp1 1
144 3 . . . . . . 2.946 1.625 4.267 rr_1sp1 1
145 2 . . . . . . 2.938 1.620 4.256 rr_1sp1 1
145 3 . . . . . . 2.938 1.620 4.256 rr_1sp1 1
146 1 . . . . . . 3.128 2.541 3.715 rr_1sp1 1
147 1 . . . . . . 3.494 2.761 4.227 rr_1sp1 1
148 1 . . . . . . 3.371 1.889 4.853 rr_1sp1 1
149 1 . . . . . . 3.797 2.932 4.662 rr_1sp1 1
150 2 . . . . . . 2.639 2.221 3.057 rr_1sp1 1
150 3 . . . . . . 2.639 2.221 3.057 rr_1sp1 1
151 2 . . . . . . 2.776 -0.486 6.038 rr_1sp1 1
151 3 . . . . . . 2.776 -0.486 6.038 rr_1sp1 1
152 2 . . . . . . 3.097 -0.278 6.472 rr_1sp1 1
152 3 . . . . . . 3.097 -0.278 6.472 rr_1sp1 1
153 2 . . . . . . 3.171 -0.232 6.574 rr_1sp1 1
153 3 . . . . . . 3.171 -0.232 6.574 rr_1sp1 1
154 2 . . . . . . 3.166 1.765 4.567 rr_1sp1 1
154 3 . . . . . . 3.166 1.765 4.567 rr_1sp1 1
155 1 . . . . . . 3.367 2.687 4.047 rr_1sp1 1
156 2 . . . . . . 3.440 -0.070 6.950 rr_1sp1 1
156 3 . . . . . . 3.440 -0.070 6.950 rr_1sp1 1
157 2 . . . . . . 2.894 0.892 4.896 rr_1sp1 1
157 3 . . . . . . 2.894 0.892 4.896 rr_1sp1 1
158 2 . . . . . . 2.735 -1.214 6.684 rr_1sp1 1
158 3 . . . . . . 2.735 -1.214 6.684 rr_1sp1 1
159 2 . . . . . . 2.461 -0.202 5.124 rr_1sp1 1
159 3 . . . . . . 2.461 -0.202 5.124 rr_1sp1 1
159 4 . . . . . . 2.461 -0.202 5.124 rr_1sp1 1
159 5 . . . . . . 2.461 -0.202 5.124 rr_1sp1 1
160 2 . . . . . . 2.731 -0.016 5.478 rr_1sp1 1
160 3 . . . . . . 2.731 -0.016 5.478 rr_1sp1 1
160 4 . . . . . . 2.731 -0.016 5.478 rr_1sp1 1
160 5 . . . . . . 2.731 -0.016 5.478 rr_1sp1 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "d h" 1 89 1 97 rr_1sp1 1
2 "d s" 2 89 2 97 rr_1sp1 1
3 "d s" 3 89 3 97 rr_1sp1 1
4 "s r" 4 89 4 97 rr_1sp1 1
5 "r m" 5 89 5 97 rr_1sp1 1
6 "l h" 6 89 6 97 rr_1sp1 1
7 "s l" 7 89 7 97 rr_1sp1 1
8 "s l" 8 89 8 97 rr_1sp1 1
9 "s k" 9 89 9 97 rr_1sp1 1
10 "r k" 10 89 10 97 rr_1sp1 1
11 "k s" 11 89 11 97 rr_1sp1 1
12 "s d" 12 89 12 97 rr_1sp1 1
13 "k h" 13 89 13 97 rr_1sp1 1
14 "k h" 14 89 14 97 rr_1sp1 1
15 "i h" 15 89 15 97 rr_1sp1 1
16 "i k" 16 89 16 97 rr_1sp1 1
17 "h k" 17 89 17 97 rr_1sp1 1
18 "i h" 18 89 18 97 rr_1sp1 1
19 "i s" 19 89 19 97 rr_1sp1 1
20 "h l" 20 89 20 97 rr_1sp1 1
21 "t k" 21 89 21 97 rr_1sp1 1
22 "t k" 22 89 22 97 rr_1sp1 1
23 "h i" 23 89 23 97 rr_1sp1 1
24 "t h" 24 89 24 97 rr_1sp1 1
25 "k k" 25 89 25 97 rr_1sp1 1
26 "k k" 26 89 26 97 rr_1sp1 1
27 "r r" 27 89 27 97 rr_1sp1 1
28 "t h" 28 89 28 97 rr_1sp1 1
29 "q h" 29 89 29 97 rr_1sp1 1
30 "n q" 30 89 30 97 rr_1sp1 1
31 "e c" 31 89 31 97 rr_1sp1 1
32 "m r" 32 89 32 97 rr_1sp1 1
33 "c a" 33 89 33 97 rr_1sp1 1
34 "e p" 34 89 34 97 rr_1sp1 1
35 "e p" 35 89 35 97 rr_1sp1 1
36 "e p" 36 89 36 97 rr_1sp1 1
37 "c e" 37 89 37 97 rr_1sp1 1
38 "k n" 38 89 38 97 rr_1sp1 1
39 "f k" 39 89 39 97 rr_1sp1 1
40 "n q" 40 89 40 97 rr_1sp1 1
41 "k p" 41 89 41 97 rr_1sp1 1
42 "q h" 42 89 42 97 rr_1sp1 1
43 "m f" 43 89 43 97 rr_1sp1 1
44 "t i" 44 89 44 97 rr_1sp1 1
45 "f a" 45 89 45 98 rr_1sp1 1
46 "i h" 46 89 46 97 rr_1sp1 1
47 "i h" 47 89 47 99 rr_1sp1 1
48 "f h" 48 89 48 97 rr_1sp1 1
49 "f h" 49 89 49 97 rr_1sp1 1
50 "h i" 50 89 50 97 rr_1sp1 1
51 "h k" 51 89 51 97 rr_1sp1 1
52 "h t" 52 89 52 98 rr_1sp1 1
53 "h i" 53 89 53 98 rr_1sp1 1
54 "h i" 54 89 54 97 rr_1sp1 1
55 "h i" 55 89 55 97 rr_1sp1 1
56 "h i" 56 89 56 97 rr_1sp1 1
57 "h i" 57 89 57 97 rr_1sp1 1
58 "h e" 58 89 58 97 rr_1sp1 1
59 "c e" 59 89 59 97 rr_1sp1 1
60 "e h" 60 89 60 97 rr_1sp1 1
61 "f k" 61 89 61 97 rr_1sp1 1
62 "f k" 62 89 62 97 rr_1sp1 1
63 "f k" 63 89 63 97 rr_1sp1 1
64 "r k" 64 89 64 97 rr_1sp1 1
65 "r k" 65 89 65 97 rr_1sp1 1
66 "r k" 66 89 66 97 rr_1sp1 1
67 "f k" 67 89 67 97 rr_1sp1 1
68 "f k" 68 89 68 97 rr_1sp1 1
69 "f l" 69 89 69 97 rr_1sp1 1
70 "f l" 70 89 70 97 rr_1sp1 1
71 "f l" 71 89 71 97 rr_1sp1 1
72 "f k" 72 89 72 98 rr_1sp1 1
73 "f s" 73 89 73 97 rr_1sp1 1
74 "f s" 74 89 74 97 rr_1sp1 1
75 "f s" 75 89 75 97 rr_1sp1 1
76 "s f" 76 89 76 97 rr_1sp1 1
77 "s f" 77 89 77 97 rr_1sp1 1
78 "f m" 78 89 78 97 rr_1sp1 1
79 "f k" 79 89 79 97 rr_1sp1 1
80 "c h" 80 89 80 97 rr_1sp1 1
81 "c f" 81 89 81 97 rr_1sp1 1
82 "c f" 82 89 82 97 rr_1sp1 1
83 "i h" 83 89 83 97 rr_1sp1 1
84 "h f" 84 89 84 97 rr_1sp1 1
85 "h h" 85 89 85 97 rr_1sp1 1
86 "h f" 86 89 86 97 rr_1sp1 1
87 "h f" 87 89 87 97 rr_1sp1 1
88 "k r" 88 89 88 97 rr_1sp1 1
89 "k f" 89 89 89 97 rr_1sp1 1
90 "h f" 90 89 90 97 rr_1sp1 1
91 "h c" 91 89 91 97 rr_1sp1 1
92 "h c" 92 89 92 97 rr_1sp1 1
93 "h c" 93 89 93 97 rr_1sp1 1
94 "h c" 94 89 94 97 rr_1sp1 1
95 "h i" 95 89 95 97 rr_1sp1 1
96 "c c" 96 89 96 96 rr_1sp1 1
97 "c c" 97 89 97 97 rr_1sp1 1
98 "f r" 98 89 98 97 rr_1sp1 1
99 "k i" 99 89 99 97 rr_1sp1 1
100 "k i" 100 89 100 97 rr_1sp1 1
101 "k i" 101 89 101 97 rr_1sp1 1
102 "f c" 102 89 102 96 rr_1sp1 1
103 "f h" 103 89 103 96 rr_1sp1 1
104 "f h" 104 89 104 96 rr_1sp1 1
105 "f c" 105 89 105 97 rr_1sp1 1
106 "f l" 106 89 106 97 rr_1sp1 1
107 "f l" 107 89 107 97 rr_1sp1 1
108 "f h" 108 89 108 97 rr_1sp1 1
109 "h k" 109 89 109 97 rr_1sp1 1
110 "h k" 110 89 110 97 rr_1sp1 1
111 "d r" 111 89 111 97 rr_1sp1 1
112 "s r" 112 89 112 97 rr_1sp1 1
113 "q h" 113 89 113 97 rr_1sp1 1
114 "q h" 114 89 114 97 rr_1sp1 1
115 "p c" 115 89 115 97 rr_1sp1 1
116 "p c" 116 89 116 97 rr_1sp1 1
117 "d s" 117 89 117 97 rr_1sp1 1
118 "s l" 118 89 118 97 rr_1sp1 1
119 "s l" 119 89 119 97 rr_1sp1 1
120 "c i" 120 88 120 96 rr_1sp1 1
121 "s i" 121 89 121 97 rr_1sp1 1
122 "s i" 122 89 122 97 rr_1sp1 1
123 "h t" 123 89 123 97 rr_1sp1 1
124 "p c" 124 89 124 97 rr_1sp1 1
125 "l h" 125 89 125 97 rr_1sp1 1
126 "c i" 126 88 126 95 rr_1sp1 1
127 "s l" 127 89 127 97 rr_1sp1 1
128 "l h" 128 89 128 97 rr_1sp1 1
129 "h i" 129 89 129 97 rr_1sp1 1
130 "h i" 130 89 130 97 rr_1sp1 1
131 "f r" 131 89 131 97 rr_1sp1 1
132 "l s" 132 89 132 97 rr_1sp1 1
133 "s s" 133 89 133 97 rr_1sp1 1
134 "r k" 134 89 134 97 rr_1sp1 1
135 "k c" 135 89 135 97 rr_1sp1 1
136 "k p" 136 89 136 97 rr_1sp1 1
137 "k p" 137 89 137 97 rr_1sp1 1
138 "k n" 138 89 138 97 rr_1sp1 1
139 "c i" 139 89 139 97 rr_1sp1 1
140 "c i" 140 89 140 97 rr_1sp1 1
141 "c i" 141 89 141 97 rr_1sp1 1
142 "n q" 142 89 142 97 rr_1sp1 1
143 "n q" 143 89 143 97 rr_1sp1 1
144 "s l" 144 89 144 97 rr_1sp1 1
145 "c e" 145 89 145 97 rr_1sp1 1
146 "c e" 146 89 146 97 rr_1sp1 1
147 "q k" 147 89 147 97 rr_1sp1 1
148 "q t" 148 89 148 97 rr_1sp1 1
149 "k i" 149 89 149 97 rr_1sp1 1
150 "h t" 150 89 150 97 rr_1sp1 1
151 "f k" 151 89 151 97 rr_1sp1 1
152 "f k" 152 89 152 97 rr_1sp1 1
153 "f k" 153 89 153 97 rr_1sp1 1
154 "f k" 154 89 154 97 rr_1sp1 1
155 "h i" 155 89 155 97 rr_1sp1 1
156 "s l" 156 89 156 97 rr_1sp1 1
157 "l f" 157 89 157 96 rr_1sp1 1
158 "a l" 158 90 158 97 rr_1sp1 1
159 "f l" 159 90 159 97 rr_1sp1 1
160 "f l" 160 90 160 97 rr_1sp1 1
161 "f l" 161 90 161 97 rr_1sp1 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .18.HD2' (nmrStar names) not linked" rr_1sp1 1
2 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .18.HD2' (nmrStar names) not linked" rr_1sp1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1sp1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1sp1 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1sp1 2
2 1 . . . rr_1sp1 2
3 1 . . . rr_1sp1 2
4 1 . . . rr_1sp1 2
5 1 . . . rr_1sp1 2
6 1 . . . rr_1sp1 2
7 1 . . . rr_1sp1 2
8 1 . . . rr_1sp1 2
9 1 . . . rr_1sp1 2
10 1 . . . rr_1sp1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1sp1 2
1 1 . 2 . 2 2 1 1 ZN ZN Zn . . . . 1 . ZN rr_1sp1 2
2 1 . 1 . 1 1 8 8 CYS SG S . . . . 8 . SG rr_1sp1 2
2 1 . 2 . 2 2 1 1 ZN ZN Zn . . . . 1 . ZN rr_1sp1 2
3 1 . 1 . 1 1 21 21 HIS NE2 N . . . . 21 . NE2 rr_1sp1 2
3 1 . 2 . 2 2 1 1 ZN ZN Zn . . . . 1 . ZN rr_1sp1 2
4 1 . 1 . 1 1 25 25 HIS NE2 N . . . . 25 . NE2 rr_1sp1 2
4 1 . 2 . 2 2 1 1 ZN ZN Zn . . . . 1 . ZN rr_1sp1 2
5 1 . 1 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1sp1 2
5 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 . SG rr_1sp1 2
6 1 . 1 . 1 1 21 21 HIS NE2 N . . . . 21 . NE2 rr_1sp1 2
6 1 . 2 . 1 1 25 25 HIS NE2 N . . . . 25 . NE2 rr_1sp1 2
7 1 . 1 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1sp1 2
7 1 . 2 . 1 1 21 21 HIS NE2 N . . . . 21 . NE2 rr_1sp1 2
8 1 . 1 . 1 1 8 8 CYS SG S . . . . 8 . SG rr_1sp1 2
8 1 . 2 . 1 1 25 25 HIS NE2 N . . . . 25 . NE2 rr_1sp1 2
9 1 . 1 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1sp1 2
9 1 . 2 . 1 1 25 25 HIS NE2 N . . . . 25 . NE2 rr_1sp1 2
10 1 . 1 . 1 1 8 8 CYS SG S . . . . 8 . SG rr_1sp1 2
10 1 . 2 . 1 1 21 21 HIS NE2 N . . . . 21 . NE2 rr_1sp1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.300 2.250 2.350 rr_1sp1 2
2 1 . . . . . . 2.300 2.250 2.350 rr_1sp1 2
3 1 . . . . . . 2.085 2.035 2.135 rr_1sp1 2
4 1 . . . . . . 2.085 2.035 2.135 rr_1sp1 2
5 1 . . . . . . 3.701 3.418 3.984 rr_1sp1 2
6 1 . . . . . . 3.354 3.098 3.610 rr_1sp1 2
7 1 . . . . . . 3.530 3.261 3.799 rr_1sp1 2
8 1 . . . . . . 3.530 3.261 3.799 rr_1sp1 2
9 1 . . . . . . 3.530 3.261 3.799 rr_1sp1 2
10 1 . . . . . . 3.530 3.261 3.799 rr_1sp1 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "0.00 c zn" 1 83 1 95 rr_1sp1 2
2 "0.00 c zn" 2 83 2 94 rr_1sp1 2
3 "0.00 h zn" 3 83 3 94 rr_1sp1 2
4 "0.00 h zn" 4 83 4 94 rr_1sp1 2
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1sp1
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER ZINC FINGER 21-NOV-96 1SP1 *TITLE NMR STRUCTURE OF A ZINC FINGER DOMAIN FROM TRANSCRIPTION *TITLE 2 FACTOR SP1F3, MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SP1F3; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: ZINC FINGER DNA BINDING DOMAIN; *COMPND 5 SYNONYM: TRANSCRIPTION FACTOR SP1; *COMPND 6 ENGINEERED: YES; *COMPND 7 OTHER_DETAILS: DOES NOT BIND DNA SPECIFICALLY AS A SINGLE *COMPND 8 ZINC FINGER *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 CELLULAR_LOCATION: NUCLEOPLASM *KEYWDS ZINC FINGER, TRANSCRIPTION ACTIVATION, SP1 *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR V.A.NARAYAN,R.W.KRIWACKI,J.P.CARADONNA *REVDAT 1 21-APR-97 1SP1 0 XPLOR input for Sp1f3 structure calculation"
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 10:39:16 PM GMT (wattos1)