NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381541 |
1j5j   |
5184 | cing | 3-converted-DOCR | STAR | entry | full | 649 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1j5j
# This DOCR archive file contains, for PDB entry <1j5j>:
#
# - 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_1j5j
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1j5j"
_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 1j5j"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1j5j
_Assembly.ID 1
_Assembly.Name 1j5j
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 4097.6938
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 "BeKm 1 toxin" 1 $BeKm_1_toxin A . no . . . . . . rr_1j5j 1
stop_
save_
save_BeKm_1_toxin
_Entity.Sf_category entity
_Entity.Sf_framecode BeKm_1_toxin
_Entity.Entry_ID rr_1j5j
_Entity.ID 1
_Entity.Name BeKm_1_toxin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;RPTDIKCSESYQCFPVCKSR
FGKTNGRCVNGFCDCF
;
_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 36
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 4097.6938
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 . ARG . rr_1j5j 1
2 . PRO . rr_1j5j 1
3 . THR . rr_1j5j 1
4 . ASP . rr_1j5j 1
5 . ILE . rr_1j5j 1
6 . LYS . rr_1j5j 1
7 . CYS . rr_1j5j 1
8 . SER . rr_1j5j 1
9 . GLU . rr_1j5j 1
10 . SER . rr_1j5j 1
11 . TYR . rr_1j5j 1
12 . GLN . rr_1j5j 1
13 . CYS . rr_1j5j 1
14 . PHE . rr_1j5j 1
15 . PRO . rr_1j5j 1
16 . VAL . rr_1j5j 1
17 . CYS . rr_1j5j 1
18 . LYS . rr_1j5j 1
19 . SER . rr_1j5j 1
20 . ARG . rr_1j5j 1
21 . PHE . rr_1j5j 1
22 . GLY . rr_1j5j 1
23 . LYS . rr_1j5j 1
24 . THR . rr_1j5j 1
25 . ASN . rr_1j5j 1
26 . GLY . rr_1j5j 1
27 . ARG . rr_1j5j 1
28 . CYS . rr_1j5j 1
29 . VAL . rr_1j5j 1
30 . ASN . rr_1j5j 1
31 . GLY . rr_1j5j 1
32 . PHE . rr_1j5j 1
33 . CYS . rr_1j5j 1
34 . ASP . rr_1j5j 1
35 . CYS . rr_1j5j 1
36 . PHE . rr_1j5j 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
. ARG 1 1 rr_1j5j 1
. PRO 2 2 rr_1j5j 1
. THR 3 3 rr_1j5j 1
. ASP 4 4 rr_1j5j 1
. ILE 5 5 rr_1j5j 1
. LYS 6 6 rr_1j5j 1
. CYS 7 7 rr_1j5j 1
. SER 8 8 rr_1j5j 1
. GLU 9 9 rr_1j5j 1
. SER 10 10 rr_1j5j 1
. TYR 11 11 rr_1j5j 1
. GLN 12 12 rr_1j5j 1
. CYS 13 13 rr_1j5j 1
. PHE 14 14 rr_1j5j 1
. PRO 15 15 rr_1j5j 1
. VAL 16 16 rr_1j5j 1
. CYS 17 17 rr_1j5j 1
. LYS 18 18 rr_1j5j 1
. SER 19 19 rr_1j5j 1
. ARG 20 20 rr_1j5j 1
. PHE 21 21 rr_1j5j 1
. GLY 22 22 rr_1j5j 1
. LYS 23 23 rr_1j5j 1
. THR 24 24 rr_1j5j 1
. ASN 25 25 rr_1j5j 1
. GLY 26 26 rr_1j5j 1
. ARG 27 27 rr_1j5j 1
. CYS 28 28 rr_1j5j 1
. VAL 29 29 rr_1j5j 1
. ASN 30 30 rr_1j5j 1
. GLY 31 31 rr_1j5j 1
. PHE 32 32 rr_1j5j 1
. CYS 33 33 rr_1j5j 1
. ASP 34 34 rr_1j5j 1
. CYS 35 35 rr_1j5j 1
. PHE 36 36 rr_1j5j 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1j5j
_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_1j5j
_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_1j5j 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_1j5j 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 ARG C C -6.478 3.437 -3.580 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_1j5j 1
. 1 . 2 . 1 1 1 ARG CA C -7.197 4.775 -3.391 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_1j5j 1
. 1 . 3 . 1 1 1 ARG CB C -6.878 5.688 -4.576 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_1j5j 1
. 1 . 4 . 1 1 1 ARG CD C -7.523 7.792 -5.808 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_1j5j 1
. 1 . 5 . 1 1 1 ARG CG C -7.783 6.922 -4.577 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_1j5j 1
. 1 . 6 . 1 1 1 ARG CZ C -8.423 9.923 -6.736 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_1j5j 1
. 1 . 7 . 1 1 1 ARG H1 H -5.931 5.896 -2.268 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_1j5j 1
. 1 . 8 . 1 1 1 ARG H2 H -7.522 6.030 -1.829 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_1j5j 1
. 1 . 9 . 1 1 1 ARG H3 H -6.666 4.668 -1.435 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_1j5j 1
. 1 . 10 . 1 1 1 ARG HA H -8.274 4.632 -3.302 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_1j5j 1
. 1 . 11 . 1 1 1 ARG HB2 H -5.834 5.998 -4.531 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_1j5j 1
. 1 . 12 . 1 1 1 ARG HB3 H -7.007 5.139 -5.509 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_1j5j 1
. 1 . 13 . 1 1 1 ARG HD2 H -6.481 8.113 -5.823 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_1j5j 1
. 1 . 14 . 1 1 1 ARG HD3 H -7.690 7.213 -6.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_1j5j 1
. 1 . 15 . 1 1 1 ARG HE H -9.052 9.068 -5.025 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_1j5j 1
. 1 . 16 . 1 1 1 ARG HG2 H -8.828 6.611 -4.561 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_1j5j 1
. 1 . 17 . 1 1 1 ARG HG3 H -7.610 7.505 -3.672 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_1j5j 1
. 1 . 18 . 1 1 1 ARG HH11 H -6.959 9.061 -7.854 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_1j5j 1
. 1 . 19 . 1 1 1 ARG HH12 H -7.594 10.544 -8.486 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_1j5j 1
. 1 . 20 . 1 1 1 ARG HH21 H -9.890 11.024 -5.858 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_1j5j 1
. 1 . 21 . 1 1 1 ARG HH22 H -9.272 11.668 -7.343 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_1j5j 1
. 1 . 22 . 1 1 1 ARG N N -6.799 5.389 -2.136 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_1j5j 1
. 1 . 23 . 1 1 1 ARG NE N -8.415 8.973 -5.791 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_1j5j 1
. 1 . 24 . 1 1 1 ARG NH1 N -7.589 9.835 -7.781 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_1j5j 1
. 1 . 25 . 1 1 1 ARG NH2 N -9.267 10.959 -6.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_1j5j 1
. 1 . 26 . 1 1 1 ARG O O -5.411 3.216 -3.010 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_1j5j 1
. 1 . 27 . 1 1 2 PRO C C -5.425 1.730 -5.991 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_1j5j 1
. 1 . 28 . 1 1 2 PRO CA C -6.428 1.371 -4.893 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_1j5j 1
. 1 . 29 . 1 1 2 PRO CB C -7.538 0.452 -5.379 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_1j5j 1
. 1 . 30 . 1 1 2 PRO CD C -8.484 2.666 -4.884 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_1j5j 1
. 1 . 31 . 1 1 2 PRO CG C -8.758 1.338 -5.573 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_1j5j 1
. 1 . 32 . 1 1 2 PRO HA H -5.893 0.950 -4.161 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_1j5j 1
. 1 . 33 . 1 1 2 PRO HB2 H -7.258 -0.037 -6.312 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_1j5j 1
. 1 . 34 . 1 1 2 PRO HB3 H -7.738 -0.336 -4.654 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_1j5j 1
. 1 . 35 . 1 1 2 PRO HD2 H -8.595 3.501 -5.575 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_1j5j 1
. 1 . 36 . 1 1 2 PRO HD3 H -9.179 2.836 -4.063 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_1j5j 1
. 1 . 37 . 1 1 2 PRO HG2 H -8.953 1.492 -6.633 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_1j5j 1
. 1 . 38 . 1 1 2 PRO HG3 H -9.643 0.865 -5.151 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_1j5j 1
. 1 . 39 . 1 1 2 PRO N N -7.109 2.557 -4.402 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_1j5j 1
. 1 . 40 . 1 1 2 PRO O O -5.588 2.735 -6.682 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_1j5j 1
. 1 . 41 . 1 1 3 THR C C -3.161 -0.201 -7.921 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . rr_1j5j 1
. 1 . 42 . 1 1 3 THR CA C -3.393 1.092 -7.137 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . rr_1j5j 1
. 1 . 43 . 1 1 3 THR CB C -2.133 1.621 -6.450 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . rr_1j5j 1
. 1 . 44 . 1 1 3 THR CG2 C -2.450 2.559 -5.284 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . rr_1j5j 1
. 1 . 45 . 1 1 3 THR H H -4.273 0.084 -5.540 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . rr_1j5j 1
. 1 . 46 . 1 1 3 THR HA H -3.761 1.834 -7.845 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . rr_1j5j 1
. 1 . 47 . 1 1 3 THR HB H -1.471 2.104 -7.170 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . rr_1j5j 1
. 1 . 48 . 1 1 3 THR HG1 H -2.219 0.081 -5.175 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . rr_1j5j 1
. 1 . 49 . 1 1 3 THR HG21 H -1.524 2.979 -4.892 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . rr_1j5j 1
. 1 . 50 . 1 1 3 THR HG22 H -3.096 3.366 -5.633 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . rr_1j5j 1
. 1 . 51 . 1 1 3 THR HG23 H -2.959 2.001 -4.497 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . rr_1j5j 1
. 1 . 52 . 1 1 3 THR N N -4.409 0.890 -6.118 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . rr_1j5j 1
. 1 . 53 . 1 1 3 THR O O -3.995 -1.105 -7.898 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . rr_1j5j 1
. 1 . 54 . 1 1 3 THR OG1 O -1.569 0.470 -5.826 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . rr_1j5j 1
. 1 . 55 . 1 1 4 ASP C C -0.304 -1.955 -8.831 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1j5j 1
. 1 . 56 . 1 1 4 ASP CA C -1.646 -1.435 -9.348 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1j5j 1
. 1 . 57 . 1 1 4 ASP CB C -1.490 -1.119 -10.837 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1j5j 1
. 1 . 58 . 1 1 4 ASP CG C -0.355 -0.151 -11.176 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1j5j 1
. 1 . 59 . 1 1 4 ASP H H -1.365 0.504 -8.640 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1j5j 1
. 1 . 60 . 1 1 4 ASP HA H -2.458 -2.144 -9.188 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1j5j 1
. 1 . 61 . 1 1 4 ASP HB2 H -1.323 -2.051 -11.375 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1j5j 1
. 1 . 62 . 1 1 4 ASP HB3 H -2.426 -0.701 -11.205 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1j5j 1
. 1 . 63 . 1 1 4 ASP HD2 H -0.677 -0.643 -12.965 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HD2 . . . . . . . . . rr_1j5j 1
. 1 . 64 . 1 1 4 ASP N N -2.022 -0.248 -8.598 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1j5j 1
. 1 . 65 . 1 1 4 ASP O O 0.349 -2.763 -9.490 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1j5j 1
. 1 . 66 . 1 1 4 ASP OD1 O 0.192 0.527 -10.293 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1j5j 1
. 1 . 67 . 1 1 4 ASP OD2 O -0.030 -0.106 -12.424 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1j5j 1
. 1 . 68 . 1 1 5 ILE C C 1.145 -3.276 -6.428 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1j5j 1
. 1 . 69 . 1 1 5 ILE CA C 1.318 -1.884 -7.038 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1j5j 1
. 1 . 70 . 1 1 5 ILE CB C 1.796 -0.830 -6.037 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1j5j 1
. 1 . 71 . 1 1 5 ILE CD1 C 2.014 1.661 -5.705 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1j5j 1
. 1 . 72 . 1 1 5 ILE CG1 C 2.014 0.520 -6.724 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1j5j 1
. 1 . 73 . 1 1 5 ILE CG2 C 3.046 -1.304 -5.295 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1j5j 1
. 1 . 74 . 1 1 5 ILE H H -0.465 -0.809 -7.128 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1j5j 1
. 1 . 75 . 1 1 5 ILE HA H 2.069 -1.942 -7.826 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1j5j 1
. 1 . 76 . 1 1 5 ILE HB H 1.013 -0.687 -5.291 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1j5j 1
. 1 . 77 . 1 1 5 ILE HD11 H 2.004 2.617 -6.230 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1j5j 1
. 1 . 78 . 1 1 5 ILE HD12 H 1.128 1.584 -5.073 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1j5j 1
. 1 . 79 . 1 1 5 ILE HD13 H 2.909 1.595 -5.086 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1j5j 1
. 1 . 80 . 1 1 5 ILE HG12 H 2.962 0.508 -7.262 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1j5j 1
. 1 . 81 . 1 1 5 ILE HG13 H 1.230 0.687 -7.463 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1j5j 1
. 1 . 82 . 1 1 5 ILE HG21 H 3.361 -0.539 -4.586 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1j5j 1
. 1 . 83 . 1 1 5 ILE HG22 H 2.822 -2.226 -4.757 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1j5j 1
. 1 . 84 . 1 1 5 ILE HG23 H 3.846 -1.488 -6.012 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1j5j 1
. 1 . 85 . 1 1 5 ILE N N 0.069 -1.471 -7.655 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1j5j 1
. 1 . 86 . 1 1 5 ILE O O 0.431 -3.441 -5.440 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1j5j 1
. 1 . 87 . 1 1 6 LYS C C 2.209 -5.931 -5.336 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_1j5j 1
. 1 . 88 . 1 1 6 LYS CA C 1.587 -5.639 -6.703 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_1j5j 1
. 1 . 89 . 1 1 6 LYS CB C 2.098 -6.550 -7.820 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_1j5j 1
. 1 . 90 . 1 1 6 LYS CD C 2.034 -8.879 -8.785 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_1j5j 1
. 1 . 91 . 1 1 6 LYS CE C 1.573 -10.322 -8.570 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_1j5j 1
. 1 . 92 . 1 1 6 LYS CG C 1.639 -7.993 -7.602 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_1j5j 1
. 1 . 93 . 1 1 6 LYS H H 2.489 -4.086 -7.761 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_1j5j 1
. 1 . 94 . 1 1 6 LYS HA H 0.509 -5.789 -6.631 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_1j5j 1
. 1 . 95 . 1 1 6 LYS HB2 H 1.737 -6.191 -8.783 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 96 . 1 1 6 LYS HB3 H 3.187 -6.513 -7.854 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 97 . 1 1 6 LYS HD2 H 1.594 -8.485 -9.701 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_1j5j 1
. 1 . 98 . 1 1 6 LYS HD3 H 3.116 -8.856 -8.916 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_1j5j 1
. 1 . 99 . 1 1 6 LYS HE2 H 2.013 -10.718 -7.655 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_1j5j 1
. 1 . 100 . 1 1 6 LYS HE3 H 0.490 -10.346 -8.439 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_1j5j 1
. 1 . 101 . 1 1 6 LYS HG2 H 2.081 -8.385 -6.686 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_1j5j 1
. 1 . 102 . 1 1 6 LYS HG3 H 0.557 -8.018 -7.470 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_1j5j 1
. 1 . 103 . 1 1 6 LYS HZ1 H 2.953 -11.157 -9.823 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_1j5j 1
. 1 . 104 . 1 1 6 LYS HZ2 H 1.650 -12.106 -9.564 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_1j5j 1
. 1 . 105 . 1 1 6 LYS HZ3 H 1.535 -10.811 -10.554 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_1j5j 1
. 1 . 106 . 1 1 6 LYS N N 1.810 -4.243 -7.043 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_1j5j 1
. 1 . 107 . 1 1 6 LYS NZ N 1.958 -11.168 -9.721 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_1j5j 1
. 1 . 108 . 1 1 6 LYS O O 3.260 -5.389 -4.999 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_1j5j 1
. 1 . 109 . 1 1 7 CYS C C 1.404 -8.497 -2.879 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 110 . 1 1 7 CYS CA C 1.986 -7.130 -3.247 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 111 . 1 1 7 CYS CB C 1.606 -6.055 -2.228 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 112 . 1 1 7 CYS H H 0.691 -7.242 -4.875 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 113 . 1 1 7 CYS HA H 3.074 -7.171 -3.287 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 114 . 1 1 7 CYS HB2 H 1.814 -6.433 -1.227 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 115 . 1 1 7 CYS HB3 H 2.248 -5.187 -2.380 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 116 . 1 1 7 CYS N N 1.532 -6.787 -4.585 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 117 . 1 1 7 CYS O O 0.367 -8.896 -3.404 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 118 . 1 1 7 CYS SG S -0.140 -5.513 -2.299 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 119 . 1 1 8 SER C C 0.940 -10.108 -0.039 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1j5j 1
. 1 . 120 . 1 1 8 SER CA C 1.576 -10.402 -1.399 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1j5j 1
. 1 . 121 . 1 1 8 SER CB C 2.677 -11.456 -1.253 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1j5j 1
. 1 . 122 . 1 1 8 SER H H 3.002 -8.902 -1.646 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1j5j 1
. 1 . 123 . 1 1 8 SER HA H 0.826 -10.757 -2.104 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1j5j 1
. 1 . 124 . 1 1 8 SER HB2 H 2.236 -12.397 -0.927 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1j5j 1
. 1 . 125 . 1 1 8 SER HB3 H 3.135 -11.637 -2.225 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1j5j 1
. 1 . 126 . 1 1 8 SER HG H 4.100 -11.860 0.095 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1j5j 1
. 1 . 127 . 1 1 8 SER N N 2.100 -9.177 -1.979 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1j5j 1
. 1 . 128 . 1 1 8 SER O O 0.031 -10.816 0.390 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1j5j 1
. 1 . 129 . 1 1 8 SER OG O 3.680 -11.055 -0.323 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1j5j 1
. 1 . 130 . 1 1 9 GLU C C 1.169 -7.349 2.328 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1j5j 1
. 1 . 131 . 1 1 9 GLU CA C 1.172 -8.846 2.011 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1j5j 1
. 1 . 132 . 1 1 9 GLU CB C 2.185 -9.590 2.885 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1j5j 1
. 1 . 133 . 1 1 9 GLU CD C 2.808 -11.819 3.883 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1j5j 1
. 1 . 134 . 1 1 9 GLU CG C 1.922 -11.097 2.867 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1j5j 1
. 1 . 135 . 1 1 9 GLU H H 2.025 -8.371 0.172 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1j5j 1
. 1 . 136 . 1 1 9 GLU HA H 0.179 -9.262 2.182 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1j5j 1
. 1 . 137 . 1 1 9 GLU HB2 H 3.194 -9.389 2.528 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1j5j 1
. 1 . 138 . 1 1 9 GLU HB3 H 2.129 -9.219 3.908 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1j5j 1
. 1 . 139 . 1 1 9 GLU HE2 H 1.589 -11.170 5.163 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HE2 . . . . . . . . . rr_1j5j 1
. 1 . 140 . 1 1 9 GLU HG2 H 0.872 -11.289 3.091 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1j5j 1
. 1 . 141 . 1 1 9 GLU HG3 H 2.112 -11.491 1.868 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1j5j 1
. 1 . 142 . 1 1 9 GLU N N 1.443 -9.062 0.600 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1j5j 1
. 1 . 143 . 1 1 9 GLU O O 1.684 -6.546 1.552 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1j5j 1
. 1 . 144 . 1 1 9 GLU OE1 O 3.807 -12.445 3.501 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1j5j 1
. 1 . 145 . 1 1 9 GLU OE2 O 2.425 -11.715 5.111 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1j5j 1
. 1 . 146 . 1 1 10 SER C C 1.360 -4.810 4.167 . . . 1.0 . . . . . . . . . . . . A . 10 SER C . . . . . . . . . rr_1j5j 1
. 1 . 147 . 1 1 10 SER CA C 0.162 -5.653 3.728 . . . 1.0 . . . . . . . . . . . . A . 10 SER CA . . . . . . . . . rr_1j5j 1
. 1 . 148 . 1 1 10 SER CB C -0.938 -5.607 4.790 . . . 1.0 . . . . . . . . . . . . A . 10 SER CB . . . . . . . . . rr_1j5j 1
. 1 . 149 . 1 1 10 SER H H 0.396 -7.666 4.210 . . . 1.0 . . . . . . . . . . . . A . 10 SER H . . . . . . . . . rr_1j5j 1
. 1 . 150 . 1 1 10 SER HA H -0.235 -5.290 2.779 . . . 1.0 . . . . . . . . . . . . A . 10 SER HA . . . . . . . . . rr_1j5j 1
. 1 . 151 . 1 1 10 SER HB2 H -0.579 -6.081 5.704 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB2 . . . . . . . . . rr_1j5j 1
. 1 . 152 . 1 1 10 SER HB3 H -1.160 -4.569 5.037 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB3 . . . . . . . . . rr_1j5j 1
. 1 . 153 . 1 1 10 SER HG H -1.936 -7.213 4.133 . . . 1.0 . . . . . . . . . . . . A . 10 SER HG . . . . . . . . . rr_1j5j 1
. 1 . 154 . 1 1 10 SER N N 0.583 -7.019 3.469 . . . 1.0 . . . . . . . . . . . . A . 10 SER N . . . . . . . . . rr_1j5j 1
. 1 . 155 . 1 1 10 SER O O 1.420 -3.615 3.882 . . . 1.0 . . . . . . . . . . . . A . 10 SER O . . . . . . . . . rr_1j5j 1
. 1 . 156 . 1 1 10 SER OG O -2.129 -6.257 4.355 . . . 1.0 . . . . . . . . . . . . A . 10 SER OG . . . . . . . . . rr_1j5j 1
. 1 . 157 . 1 1 11 TYR C C 4.387 -4.322 4.293 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . rr_1j5j 1
. 1 . 158 . 1 1 11 TYR CA C 3.439 -4.774 5.404 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . rr_1j5j 1
. 1 . 159 . 1 1 11 TYR CB C 4.158 -5.794 6.289 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . rr_1j5j 1
. 1 . 160 . 1 1 11 TYR CD1 C 6.273 -6.482 5.101 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . rr_1j5j 1
. 1 . 161 . 1 1 11 TYR CD2 C 4.478 -8.055 5.221 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . rr_1j5j 1
. 1 . 162 . 1 1 11 TYR CE1 C 7.063 -7.437 4.370 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . rr_1j5j 1
. 1 . 163 . 1 1 11 TYR CE2 C 5.269 -9.012 4.489 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . rr_1j5j 1
. 1 . 164 . 1 1 11 TYR CG C 4.997 -6.810 5.511 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . rr_1j5j 1
. 1 . 165 . 1 1 11 TYR CZ C 6.522 -8.655 4.100 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . rr_1j5j 1
. 1 . 166 . 1 1 11 TYR H H 2.255 -6.448 5.034 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . rr_1j5j 1
. 1 . 167 . 1 1 11 TYR HA H 3.079 -3.899 5.944 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . rr_1j5j 1
. 1 . 168 . 1 1 11 TYR HB2 H 4.804 -5.262 6.987 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . rr_1j5j 1
. 1 . 169 . 1 1 11 TYR HB3 H 3.419 -6.329 6.884 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . rr_1j5j 1
. 1 . 170 . 1 1 11 TYR HD1 H 6.683 -5.497 5.330 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . rr_1j5j 1
. 1 . 171 . 1 1 11 TYR HD2 H 3.471 -8.315 5.545 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . rr_1j5j 1
. 1 . 172 . 1 1 11 TYR HE1 H 8.072 -7.190 4.039 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . rr_1j5j 1
. 1 . 173 . 1 1 11 TYR HE2 H 4.871 -9.999 4.252 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . rr_1j5j 1
. 1 . 174 . 1 1 11 TYR HH H 8.160 -9.164 3.183 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . rr_1j5j 1
. 1 . 175 . 1 1 11 TYR N N 2.285 -5.465 4.853 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . rr_1j5j 1
. 1 . 176 . 1 1 11 TYR O O 5.293 -3.524 4.532 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . rr_1j5j 1
. 1 . 177 . 1 1 11 TYR OH O 7.268 -9.558 3.408 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . rr_1j5j 1
. 1 . 178 . 1 1 12 GLN C C 4.398 -3.033 1.479 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . rr_1j5j 1
. 1 . 179 . 1 1 12 GLN CA C 4.884 -4.412 1.927 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . rr_1j5j 1
. 1 . 180 . 1 1 12 GLN CB C 4.763 -5.432 0.793 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . rr_1j5j 1
. 1 . 181 . 1 1 12 GLN CD C 4.857 -7.901 0.287 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . rr_1j5j 1
. 1 . 182 . 1 1 12 GLN CG C 5.357 -6.781 1.203 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . rr_1j5j 1
. 1 . 183 . 1 1 12 GLN H H 3.469 -5.563 2.933 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . rr_1j5j 1
. 1 . 184 . 1 1 12 GLN HA H 5.926 -4.353 2.244 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . rr_1j5j 1
. 1 . 185 . 1 1 12 GLN HB2 H 3.715 -5.558 0.524 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . rr_1j5j 1
. 1 . 186 . 1 1 12 GLN HB3 H 5.277 -5.058 -0.093 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . rr_1j5j 1
. 1 . 187 . 1 1 12 GLN HE21 H 5.944 -9.215 1.376 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . rr_1j5j 1
. 1 . 188 . 1 1 12 GLN HE22 H 4.992 -9.913 0.108 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . rr_1j5j 1
. 1 . 189 . 1 1 12 GLN HG2 H 6.444 -6.731 1.162 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . rr_1j5j 1
. 1 . 190 . 1 1 12 GLN HG3 H 5.086 -7.003 2.235 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . rr_1j5j 1
. 1 . 191 . 1 1 12 GLN N N 4.148 -4.850 3.102 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . rr_1j5j 1
. 1 . 192 . 1 1 12 GLN NE2 N 5.301 -9.109 0.618 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . rr_1j5j 1
. 1 . 193 . 1 1 12 GLN O O 5.180 -2.225 0.983 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . rr_1j5j 1
. 1 . 194 . 1 1 12 GLN OE1 O 4.117 -7.681 -0.659 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . rr_1j5j 1
. 1 . 195 . 1 1 13 CYS C C 2.650 -0.456 2.015 . . . 1.0 . . . . . . . . . . . . A . 13 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 196 . 1 1 13 CYS CA C 2.454 -1.650 1.079 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 197 . 1 1 13 CYS CB C 0.974 -1.918 0.798 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 198 . 1 1 13 CYS H H 2.510 -3.393 2.218 . . . 1.0 . . . . . . . . . . . . A . 13 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 199 . 1 1 13 CYS HA H 2.940 -1.473 0.119 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 200 . 1 1 13 CYS HB2 H 0.475 -2.145 1.740 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 201 . 1 1 13 CYS HB3 H 0.521 -1.005 0.409 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 202 . 1 1 13 CYS N N 3.106 -2.806 1.671 . . . 1.0 . . . . . . . . . . . . A . 13 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 203 . 1 1 13 CYS O O 2.890 0.661 1.561 . . . 1.0 . . . . . . . . . . . . A . 13 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 204 . 1 1 13 CYS SG S 0.651 -3.280 -0.380 . . . 1.0 . . . . . . . . . . . . A . 13 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 205 . 1 1 14 PHE C C 3.412 1.374 4.226 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . rr_1j5j 1
. 1 . 206 . 1 1 14 PHE CA C 2.304 0.320 4.280 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . rr_1j5j 1
. 1 . 207 . 1 1 14 PHE CB C 2.311 -0.338 5.661 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . rr_1j5j 1
. 1 . 208 . 1 1 14 PHE CD1 C 2.626 1.730 7.037 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . rr_1j5j 1
. 1 . 209 . 1 1 14 PHE CD2 C 4.109 -0.068 7.384 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . rr_1j5j 1
. 1 . 210 . 1 1 14 PHE CE1 C 3.306 2.481 8.032 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . rr_1j5j 1
. 1 . 211 . 1 1 14 PHE CE2 C 4.788 0.683 8.379 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . rr_1j5j 1
. 1 . 212 . 1 1 14 PHE CG C 3.042 0.471 6.734 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . rr_1j5j 1
. 1 . 213 . 1 1 14 PHE CZ C 4.372 1.942 8.682 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . rr_1j5j 1
. 1 . 214 . 1 1 14 PHE H H 2.608 -1.654 3.688 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . rr_1j5j 1
. 1 . 215 . 1 1 14 PHE HA H 1.350 0.784 4.031 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . rr_1j5j 1
. 1 . 216 . 1 1 14 PHE HB2 H 1.281 -0.499 5.981 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . rr_1j5j 1
. 1 . 217 . 1 1 14 PHE HB3 H 2.777 -1.321 5.582 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . rr_1j5j 1
. 1 . 218 . 1 1 14 PHE HD1 H 1.772 2.162 6.516 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . rr_1j5j 1
. 1 . 219 . 1 1 14 PHE HD2 H 4.442 -1.077 7.140 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . rr_1j5j 1
. 1 . 220 . 1 1 14 PHE HE1 H 2.972 3.490 8.276 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . rr_1j5j 1
. 1 . 221 . 1 1 14 PHE HE2 H 5.643 0.252 8.899 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . rr_1j5j 1
. 1 . 222 . 1 1 14 PHE HZ H 4.893 2.519 9.446 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . rr_1j5j 1
. 1 . 223 . 1 1 14 PHE N N 2.539 -0.733 3.307 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . rr_1j5j 1
. 1 . 224 . 1 1 14 PHE O O 3.135 2.572 4.240 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . rr_1j5j 1
. 1 . 225 . 1 1 15 PRO C C 5.976 2.405 2.743 . . . 1.0 . . . . . . . . . . . . A . 15 PRO C . . . . . . . . . rr_1j5j 1
. 1 . 226 . 1 1 15 PRO CA C 5.827 1.762 4.123 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CA . . . . . . . . . rr_1j5j 1
. 1 . 227 . 1 1 15 PRO CB C 7.011 0.886 4.502 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CB . . . . . . . . . rr_1j5j 1
. 1 . 228 . 1 1 15 PRO CD C 5.041 -0.536 4.133 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CD . . . . . . . . . rr_1j5j 1
. 1 . 229 . 1 1 15 PRO CG C 6.554 -0.548 4.287 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CG . . . . . . . . . rr_1j5j 1
. 1 . 230 . 1 1 15 PRO HA H 5.706 2.519 4.765 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HA . . . . . . . . . rr_1j5j 1
. 1 . 231 . 1 1 15 PRO HB2 H 7.879 1.116 3.885 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB2 . . . . . . . . . rr_1j5j 1
. 1 . 232 . 1 1 15 PRO HB3 H 7.304 1.052 5.538 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB3 . . . . . . . . . rr_1j5j 1
. 1 . 233 . 1 1 15 PRO HD2 H 4.735 -1.003 3.197 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD2 . . . . . . . . . rr_1j5j 1
. 1 . 234 . 1 1 15 PRO HD3 H 4.558 -1.088 4.938 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD3 . . . . . . . . . rr_1j5j 1
. 1 . 235 . 1 1 15 PRO HG2 H 7.025 -0.969 3.399 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG2 . . . . . . . . . rr_1j5j 1
. 1 . 236 . 1 1 15 PRO HG3 H 6.847 -1.171 5.131 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG3 . . . . . . . . . rr_1j5j 1
. 1 . 237 . 1 1 15 PRO N N 4.676 0.877 4.164 . . . 1.0 . . . . . . . . . . . . A . 15 PRO N . . . . . . . . . rr_1j5j 1
. 1 . 238 . 1 1 15 PRO O O 6.478 3.521 2.624 . . . 1.0 . . . . . . . . . . . . A . 15 PRO O . . . . . . . . . rr_1j5j 1
. 1 . 239 . 1 1 16 VAL C C 4.639 3.342 0.203 . . . 1.0 . . . . . . . . . . . . A . 16 VAL C . . . . . . . . . rr_1j5j 1
. 1 . 240 . 1 1 16 VAL CA C 5.598 2.160 0.366 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CA . . . . . . . . . rr_1j5j 1
. 1 . 241 . 1 1 16 VAL CB C 5.313 1.019 -0.612 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CB . . . . . . . . . rr_1j5j 1
. 1 . 242 . 1 1 16 VAL CG1 C 4.164 1.380 -1.556 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG1 . . . . . . . . . rr_1j5j 1
. 1 . 243 . 1 1 16 VAL CG2 C 6.570 0.642 -1.398 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG2 . . . . . . . . . rr_1j5j 1
. 1 . 244 . 1 1 16 VAL H H 5.128 0.762 1.838 . . . 1.0 . . . . . . . . . . . . A . 16 VAL H . . . . . . . . . rr_1j5j 1
. 1 . 245 . 1 1 16 VAL HA H 6.616 2.508 0.192 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HA . . . . . . . . . rr_1j5j 1
. 1 . 246 . 1 1 16 VAL HB H 5.008 0.148 -0.031 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HB . . . . . . . . . rr_1j5j 1
. 1 . 247 . 1 1 16 VAL HG11 H 4.412 2.293 -2.097 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG11 . . . . . . . . . rr_1j5j 1
. 1 . 248 . 1 1 16 VAL HG12 H 4.008 0.568 -2.265 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG12 . . . . . . . . . rr_1j5j 1
. 1 . 249 . 1 1 16 VAL HG13 H 3.254 1.537 -0.977 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG13 . . . . . . . . . rr_1j5j 1
. 1 . 250 . 1 1 16 VAL HG21 H 6.348 -0.193 -2.061 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG21 . . . . . . . . . rr_1j5j 1
. 1 . 251 . 1 1 16 VAL HG22 H 6.899 1.498 -1.989 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG22 . . . . . . . . . rr_1j5j 1
. 1 . 252 . 1 1 16 VAL HG23 H 7.360 0.355 -0.704 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG23 . . . . . . . . . rr_1j5j 1
. 1 . 253 . 1 1 16 VAL N N 5.530 1.672 1.733 . . . 1.0 . . . . . . . . . . . . A . 16 VAL N . . . . . . . . . rr_1j5j 1
. 1 . 254 . 1 1 16 VAL O O 4.940 4.294 -0.516 . . . 1.0 . . . . . . . . . . . . A . 16 VAL O . . . . . . . . . rr_1j5j 1
. 1 . 255 . 1 1 17 CYS C C 2.938 5.487 1.578 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 256 . 1 1 17 CYS CA C 2.480 4.265 0.779 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 257 . 1 1 17 CYS CB C 1.119 3.750 1.254 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 258 . 1 1 17 CYS H H 3.285 2.481 1.492 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 259 . 1 1 17 CYS HA H 2.384 4.508 -0.279 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 260 . 1 1 17 CYS HB2 H 1.234 3.325 2.251 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 261 . 1 1 17 CYS HB3 H 0.438 4.596 1.344 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 262 . 1 1 17 CYS N N 3.507 3.241 0.882 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 263 . 1 1 17 CYS O O 2.752 6.622 1.143 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 264 . 1 1 17 CYS SG S 0.352 2.493 0.166 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 265 . 1 1 18 LYS C C 5.148 7.006 3.004 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . rr_1j5j 1
. 1 . 266 . 1 1 18 LYS CA C 3.956 6.276 3.625 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . rr_1j5j 1
. 1 . 267 . 1 1 18 LYS CB C 4.235 5.721 5.023 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . rr_1j5j 1
. 1 . 268 . 1 1 18 LYS CD C 4.583 6.318 7.448 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . rr_1j5j 1
. 1 . 269 . 1 1 18 LYS CE C 4.895 7.443 8.438 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . rr_1j5j 1
. 1 . 270 . 1 1 18 LYS CG C 4.509 6.852 6.017 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . rr_1j5j 1
. 1 . 271 . 1 1 18 LYS H H 3.711 4.286 3.060 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . rr_1j5j 1
. 1 . 272 . 1 1 18 LYS HA H 3.129 6.979 3.716 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . rr_1j5j 1
. 1 . 273 . 1 1 18 LYS HB2 H 3.383 5.133 5.363 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 274 . 1 1 18 LYS HB3 H 5.092 5.048 4.987 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 275 . 1 1 18 LYS HD2 H 3.636 5.848 7.715 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . rr_1j5j 1
. 1 . 276 . 1 1 18 LYS HD3 H 5.351 5.547 7.515 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . rr_1j5j 1
. 1 . 277 . 1 1 18 LYS HE2 H 5.847 7.907 8.180 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . rr_1j5j 1
. 1 . 278 . 1 1 18 LYS HE3 H 4.133 8.218 8.368 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . rr_1j5j 1
. 1 . 279 . 1 1 18 LYS HG2 H 5.446 7.346 5.761 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . rr_1j5j 1
. 1 . 280 . 1 1 18 LYS HG3 H 3.722 7.603 5.945 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . rr_1j5j 1
. 1 . 281 . 1 1 18 LYS HZ1 H 4.068 6.514 10.060 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ1 . . . . . . . . . rr_1j5j 1
. 1 . 282 . 1 1 18 LYS HZ2 H 5.663 6.218 9.882 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . rr_1j5j 1
. 1 . 283 . 1 1 18 LYS HZ3 H 5.159 7.663 10.453 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ3 . . . . . . . . . rr_1j5j 1
. 1 . 284 . 1 1 18 LYS N N 3.527 5.212 2.733 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . rr_1j5j 1
. 1 . 285 . 1 1 18 LYS NZ N 4.951 6.916 9.820 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . rr_1j5j 1
. 1 . 286 . 1 1 18 LYS O O 5.326 8.204 3.218 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . rr_1j5j 1
. 1 . 287 . 1 1 19 SER C C 6.634 7.645 0.364 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_1j5j 1
. 1 . 288 . 1 1 19 SER CA C 7.088 6.821 1.571 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_1j5j 1
. 1 . 289 . 1 1 19 SER CB C 8.062 5.727 1.132 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_1j5j 1
. 1 . 290 . 1 1 19 SER H H 5.792 5.276 2.093 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_1j5j 1
. 1 . 291 . 1 1 19 SER HA H 7.570 7.461 2.311 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_1j5j 1
. 1 . 292 . 1 1 19 SER HB2 H 8.421 5.187 2.009 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_1j5j 1
. 1 . 293 . 1 1 19 SER HB3 H 7.538 5.006 0.505 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_1j5j 1
. 1 . 294 . 1 1 19 SER HG H 9.727 6.832 1.018 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_1j5j 1
. 1 . 295 . 1 1 19 SER N N 5.934 6.254 2.247 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_1j5j 1
. 1 . 296 . 1 1 19 SER O O 7.023 8.802 0.215 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_1j5j 1
. 1 . 297 . 1 1 19 SER OG O 9.174 6.258 0.414 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_1j5j 1
. 1 . 298 . 1 1 20 ARG C C 4.476 8.660 -1.688 . . . 1.0 . . . . . . . . . . . . A . 20 ARG C . . . . . . . . . rr_1j5j 1
. 1 . 299 . 1 1 20 ARG CA C 5.530 7.555 -1.786 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CA . . . . . . . . . rr_1j5j 1
. 1 . 300 . 1 1 20 ARG CB C 5.026 6.463 -2.731 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CB . . . . . . . . . rr_1j5j 1
. 1 . 301 . 1 1 20 ARG CD C 4.504 5.894 -5.133 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CD . . . . . . . . . rr_1j5j 1
. 1 . 302 . 1 1 20 ARG CG C 4.784 7.020 -4.135 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CG . . . . . . . . . rr_1j5j 1
. 1 . 303 . 1 1 20 ARG CZ C 3.691 5.725 -7.482 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CZ . . . . . . . . . rr_1j5j 1
. 1 . 304 . 1 1 20 ARG H H 5.358 6.153 -0.256 . . . 1.0 . . . . . . . . . . . . A . 20 ARG H . . . . . . . . . rr_1j5j 1
. 1 . 305 . 1 1 20 ARG HA H 6.482 7.952 -2.140 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HA . . . . . . . . . rr_1j5j 1
. 1 . 306 . 1 1 20 ARG HB2 H 5.755 5.654 -2.779 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB2 . . . . . . . . . rr_1j5j 1
. 1 . 307 . 1 1 20 ARG HB3 H 4.102 6.036 -2.341 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB3 . . . . . . . . . rr_1j5j 1
. 1 . 308 . 1 1 20 ARG HD2 H 5.404 5.299 -5.284 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD2 . . . . . . . . . rr_1j5j 1
. 1 . 309 . 1 1 20 ARG HD3 H 3.742 5.226 -4.733 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD3 . . . . . . . . . rr_1j5j 1
. 1 . 310 . 1 1 20 ARG HE H 4.015 7.457 -6.510 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HE . . . . . . . . . rr_1j5j 1
. 1 . 311 . 1 1 20 ARG HG2 H 3.941 7.711 -4.116 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG2 . . . . . . . . . rr_1j5j 1
. 1 . 312 . 1 1 20 ARG HG3 H 5.655 7.591 -4.460 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG3 . . . . . . . . . rr_1j5j 1
. 1 . 313 . 1 1 20 ARG HH11 H 4.139 3.943 -6.610 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH11 . . . . . . . . . rr_1j5j 1
. 1 . 314 . 1 1 20 ARG HH12 H 3.506 3.838 -8.218 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH12 . . . . . . . . . rr_1j5j 1
. 1 . 315 . 1 1 20 ARG HH21 H 3.162 7.320 -8.626 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH21 . . . . . . . . . rr_1j5j 1
. 1 . 316 . 1 1 20 ARG HH22 H 2.967 5.774 -9.381 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH22 . . . . . . . . . rr_1j5j 1
. 1 . 317 . 1 1 20 ARG N N 5.818 7.015 -0.469 . . . 1.0 . . . . . . . . . . . . A . 20 ARG N . . . . . . . . . rr_1j5j 1
. 1 . 318 . 1 1 20 ARG NE N 4.052 6.461 -6.423 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NE . . . . . . . . . rr_1j5j 1
. 1 . 319 . 1 1 20 ARG NH1 N 3.786 4.389 -7.433 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH1 . . . . . . . . . rr_1j5j 1
. 1 . 320 . 1 1 20 ARG NH2 N 3.235 6.323 -8.590 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH2 . . . . . . . . . rr_1j5j 1
. 1 . 321 . 1 1 20 ARG O O 4.730 9.801 -2.072 . . . 1.0 . . . . . . . . . . . . A . 20 ARG O . . . . . . . . . rr_1j5j 1
. 1 . 322 . 1 1 21 PHE C C 2.017 9.958 0.076 . . . 1.0 . . . . . . . . . . . . A . 21 PHE C . . . . . . . . . rr_1j5j 1
. 1 . 323 . 1 1 21 PHE CA C 2.156 9.157 -1.220 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CA . . . . . . . . . rr_1j5j 1
. 1 . 324 . 1 1 21 PHE CB C 0.927 8.259 -1.385 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CB . . . . . . . . . rr_1j5j 1
. 1 . 325 . 1 1 21 PHE CD1 C 0.998 8.012 -3.875 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CD1 . . . . . . . . . rr_1j5j 1
. 1 . 326 . 1 1 21 PHE CD2 C 0.901 6.053 -2.570 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CD2 . . . . . . . . . rr_1j5j 1
. 1 . 327 . 1 1 21 PHE CE1 C 1.012 7.223 -5.057 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CE1 . . . . . . . . . rr_1j5j 1
. 1 . 328 . 1 1 21 PHE CE2 C 0.916 5.266 -3.751 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CE2 . . . . . . . . . rr_1j5j 1
. 1 . 329 . 1 1 21 PHE CG C 0.942 7.410 -2.657 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CG . . . . . . . . . rr_1j5j 1
. 1 . 330 . 1 1 21 PHE CZ C 0.970 5.867 -4.970 . . . 1.0 . . . . . . . . . . . . A . 21 PHE CZ . . . . . . . . . rr_1j5j 1
. 1 . 331 . 1 1 21 PHE H H 3.162 7.401 -0.726 . . . 1.0 . . . . . . . . . . . . A . 21 PHE H . . . . . . . . . rr_1j5j 1
. 1 . 332 . 1 1 21 PHE HA H 2.302 9.842 -2.055 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HA . . . . . . . . . rr_1j5j 1
. 1 . 333 . 1 1 21 PHE HB2 H 0.854 7.599 -0.521 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HB2 . . . . . . . . . rr_1j5j 1
. 1 . 334 . 1 1 21 PHE HB3 H 0.032 8.882 -1.387 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HB3 . . . . . . . . . rr_1j5j 1
. 1 . 335 . 1 1 21 PHE HD1 H 1.031 9.099 -3.945 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HD1 . . . . . . . . . rr_1j5j 1
. 1 . 336 . 1 1 21 PHE HD2 H 0.857 5.571 -1.594 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HD2 . . . . . . . . . rr_1j5j 1
. 1 . 337 . 1 1 21 PHE HE1 H 1.056 7.706 -6.033 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HE1 . . . . . . . . . rr_1j5j 1
. 1 . 338 . 1 1 21 PHE HE2 H 0.882 4.178 -3.681 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HE2 . . . . . . . . . rr_1j5j 1
. 1 . 339 . 1 1 21 PHE HZ H 0.981 5.262 -5.877 . . . 1.0 . . . . . . . . . . . . A . 21 PHE HZ . . . . . . . . . rr_1j5j 1
. 1 . 340 . 1 1 21 PHE N N 3.316 8.283 -1.172 . . . 1.0 . . . . . . . . . . . . A . 21 PHE N . . . . . . . . . rr_1j5j 1
. 1 . 341 . 1 1 21 PHE O O 1.346 10.989 0.104 . . . 1.0 . . . . . . . . . . . . A . 21 PHE O . . . . . . . . . rr_1j5j 1
. 1 . 342 . 1 1 22 GLY C C 1.316 9.769 3.151 . . . 1.0 . . . . . . . . . . . . A . 22 GLY C . . . . . . . . . rr_1j5j 1
. 1 . 343 . 1 1 22 GLY CA C 2.614 10.106 2.415 . . . 1.0 . . . . . . . . . . . . A . 22 GLY CA . . . . . . . . . rr_1j5j 1
. 1 . 344 . 1 1 22 GLY H H 3.209 8.617 1.085 . . . 1.0 . . . . . . . . . . . . A . 22 GLY H . . . . . . . . . rr_1j5j 1
. 1 . 345 . 1 1 22 GLY HA2 H 3.468 9.793 3.015 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA2 . . . . . . . . . rr_1j5j 1
. 1 . 346 . 1 1 22 GLY HA3 H 2.693 11.186 2.286 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA3 . . . . . . . . . rr_1j5j 1
. 1 . 347 . 1 1 22 GLY N N 2.662 9.454 1.117 . . . 1.0 . . . . . . . . . . . . A . 22 GLY N . . . . . . . . . rr_1j5j 1
. 1 . 348 . 1 1 22 GLY O O 0.848 10.546 3.980 . . . 1.0 . . . . . . . . . . . . A . 22 GLY O . . . . . . . . . rr_1j5j 1
. 1 . 349 . 1 1 23 LYS C C -0.193 7.555 4.791 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . rr_1j5j 1
. 1 . 350 . 1 1 23 LYS CA C -0.478 8.169 3.419 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . rr_1j5j 1
. 1 . 351 . 1 1 23 LYS CB C -1.229 7.232 2.471 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . rr_1j5j 1
. 1 . 352 . 1 1 23 LYS CD C -3.175 8.280 1.258 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . rr_1j5j 1
. 1 . 353 . 1 1 23 LYS CE C -3.589 9.176 0.088 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . rr_1j5j 1
. 1 . 354 . 1 1 23 LYS CG C -1.677 7.972 1.209 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . rr_1j5j 1
. 1 . 355 . 1 1 23 LYS H H 1.165 7.974 2.155 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . rr_1j5j 1
. 1 . 356 . 1 1 23 LYS HA H -1.102 9.052 3.559 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . rr_1j5j 1
. 1 . 357 . 1 1 23 LYS HB2 H -0.586 6.395 2.196 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 358 . 1 1 23 LYS HB3 H -2.098 6.813 2.979 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 359 . 1 1 23 LYS HD2 H -3.743 7.350 1.227 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . rr_1j5j 1
. 1 . 360 . 1 1 23 LYS HD3 H -3.419 8.772 2.199 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . rr_1j5j 1
. 1 . 361 . 1 1 23 LYS HE2 H -3.020 10.106 0.115 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . rr_1j5j 1
. 1 . 362 . 1 1 23 LYS HE3 H -3.351 8.685 -0.855 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . rr_1j5j 1
. 1 . 363 . 1 1 23 LYS HG2 H -1.114 8.900 1.109 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . rr_1j5j 1
. 1 . 364 . 1 1 23 LYS HG3 H -1.455 7.367 0.330 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . rr_1j5j 1
. 1 . 365 . 1 1 23 LYS HZ1 H -5.244 9.949 1.003 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . rr_1j5j 1
. 1 . 366 . 1 1 23 LYS HZ2 H -5.292 10.051 -0.626 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . rr_1j5j 1
. 1 . 367 . 1 1 23 LYS HZ3 H -5.554 8.617 0.110 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . rr_1j5j 1
. 1 . 368 . 1 1 23 LYS N N 0.770 8.608 2.818 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . rr_1j5j 1
. 1 . 369 . 1 1 23 LYS NZ N -5.038 9.472 0.149 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . rr_1j5j 1
. 1 . 370 . 1 1 23 LYS O O 0.950 7.213 5.096 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . rr_1j5j 1
. 1 . 371 . 1 1 24 THR C C -0.834 5.517 7.051 . . . 1.0 . . . . . . . . . . . . A . 24 THR C . . . . . . . . . rr_1j5j 1
. 1 . 372 . 1 1 24 THR CA C -1.102 7.021 6.968 . . . 1.0 . . . . . . . . . . . . A . 24 THR CA . . . . . . . . . rr_1j5j 1
. 1 . 373 . 1 1 24 THR CB C -2.358 7.457 7.726 . . . 1.0 . . . . . . . . . . . . A . 24 THR CB . . . . . . . . . rr_1j5j 1
. 1 . 374 . 1 1 24 THR CG2 C -2.446 8.977 7.887 . . . 1.0 . . . . . . . . . . . . A . 24 THR CG2 . . . . . . . . . rr_1j5j 1
. 1 . 375 . 1 1 24 THR H H -2.188 7.612 5.291 . . . 1.0 . . . . . . . . . . . . A . 24 THR H . . . . . . . . . rr_1j5j 1
. 1 . 376 . 1 1 24 THR HA H -0.231 7.525 7.386 . . . 1.0 . . . . . . . . . . . . A . 24 THR HA . . . . . . . . . rr_1j5j 1
. 1 . 377 . 1 1 24 THR HB H -2.421 6.959 8.693 . . . 1.0 . . . . . . . . . . . . A . 24 THR HB . . . . . . . . . rr_1j5j 1
. 1 . 378 . 1 1 24 THR HG1 H -4.292 7.118 7.339 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG1 . . . . . . . . . rr_1j5j 1
. 1 . 379 . 1 1 24 THR HG21 H -1.573 9.335 8.432 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG21 . . . . . . . . . rr_1j5j 1
. 1 . 380 . 1 1 24 THR HG22 H -2.478 9.445 6.903 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG22 . . . . . . . . . rr_1j5j 1
. 1 . 381 . 1 1 24 THR HG23 H -3.349 9.231 8.440 . . . 1.0 . . . . . . . . . . . . A . 24 THR HG23 . . . . . . . . . rr_1j5j 1
. 1 . 382 . 1 1 24 THR N N -1.248 7.434 5.582 . . . 1.0 . . . . . . . . . . . . A . 24 THR N . . . . . . . . . rr_1j5j 1
. 1 . 383 . 1 1 24 THR O O -0.053 5.067 7.887 . . . 1.0 . . . . . . . . . . . . A . 24 THR O . . . . . . . . . rr_1j5j 1
. 1 . 384 . 1 1 24 THR OG1 O -3.427 7.140 6.839 . . . 1.0 . . . . . . . . . . . . A . 24 THR OG1 . . . . . . . . . rr_1j5j 1
. 1 . 385 . 1 1 25 ASN C C -1.790 2.784 4.812 . . . 1.0 . . . . . . . . . . . . A . 25 ASN C . . . . . . . . . rr_1j5j 1
. 1 . 386 . 1 1 25 ASN CA C -1.405 3.331 6.187 . . . 1.0 . . . . . . . . . . . . A . 25 ASN CA . . . . . . . . . rr_1j5j 1
. 1 . 387 . 1 1 25 ASN CB C -2.363 2.731 7.219 . . . 1.0 . . . . . . . . . . . . A . 25 ASN CB . . . . . . . . . rr_1j5j 1
. 1 . 388 . 1 1 25 ASN CG C -2.052 1.253 7.461 . . . 1.0 . . . . . . . . . . . . A . 25 ASN CG . . . . . . . . . rr_1j5j 1
. 1 . 389 . 1 1 25 ASN H H -2.087 5.158 5.457 . . . 1.0 . . . . . . . . . . . . A . 25 ASN H . . . . . . . . . rr_1j5j 1
. 1 . 390 . 1 1 25 ASN HA H -0.370 3.113 6.449 . . . 1.0 . . . . . . . . . . . . A . 25 ASN HA . . . . . . . . . rr_1j5j 1
. 1 . 391 . 1 1 25 ASN HB2 H -2.284 3.281 8.157 . . . 1.0 . . . . . . . . . . . . A . 25 ASN HB2 . . . . . . . . . rr_1j5j 1
. 1 . 392 . 1 1 25 ASN HB3 H -3.391 2.838 6.873 . . . 1.0 . . . . . . . . . . . . A . 25 ASN HB3 . . . . . . . . . rr_1j5j 1
. 1 . 393 . 1 1 25 ASN HD21 H -3.930 1.024 8.182 . . . 1.0 . . . . . . . . . . . . A . 25 ASN HD21 . . . . . . . . . rr_1j5j 1
. 1 . 394 . 1 1 25 ASN HD22 H -2.969 -0.418 8.144 . . . 1.0 . . . . . . . . . . . . A . 25 ASN HD22 . . . . . . . . . rr_1j5j 1
. 1 . 395 . 1 1 25 ASN N N -1.497 4.781 6.171 . . . 1.0 . . . . . . . . . . . . A . 25 ASN N . . . . . . . . . rr_1j5j 1
. 1 . 396 . 1 1 25 ASN ND2 N -3.067 0.563 7.971 . . . 1.0 . . . . . . . . . . . . A . 25 ASN ND2 . . . . . . . . . rr_1j5j 1
. 1 . 397 . 1 1 25 ASN O O -2.428 3.475 4.021 . . . 1.0 . . . . . . . . . . . . A . 25 ASN O . . . . . . . . . rr_1j5j 1
. 1 . 398 . 1 1 25 ASN OD1 O -0.961 0.770 7.201 . . . 1.0 . . . . . . . . . . . . A . 25 ASN OD1 . . . . . . . . . rr_1j5j 1
. 1 . 399 . 1 1 26 GLY C C -2.063 -0.616 3.616 . . . 1.0 . . . . . . . . . . . . A . 26 GLY C . . . . . . . . . rr_1j5j 1
. 1 . 400 . 1 1 26 GLY CA C -1.767 0.860 3.346 . . . 1.0 . . . . . . . . . . . . A . 26 GLY CA . . . . . . . . . rr_1j5j 1
. 1 . 401 . 1 1 26 GLY H H -0.805 1.015 5.187 . . . 1.0 . . . . . . . . . . . . A . 26 GLY H . . . . . . . . . rr_1j5j 1
. 1 . 402 . 1 1 26 GLY HA2 H -2.647 1.338 2.916 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA2 . . . . . . . . . rr_1j5j 1
. 1 . 403 . 1 1 26 GLY HA3 H -0.967 0.945 2.611 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA3 . . . . . . . . . rr_1j5j 1
. 1 . 404 . 1 1 26 GLY N N -1.384 1.546 4.568 . . . 1.0 . . . . . . . . . . . . A . 26 GLY N . . . . . . . . . rr_1j5j 1
. 1 . 405 . 1 1 26 GLY O O -1.625 -1.167 4.626 . . . 1.0 . . . . . . . . . . . . A . 26 GLY O . . . . . . . . . rr_1j5j 1
. 1 . 406 . 1 1 27 ARG C C -3.312 -3.286 1.488 . . . 1.0 . . . . . . . . . . . . A . 27 ARG C . . . . . . . . . rr_1j5j 1
. 1 . 407 . 1 1 27 ARG CA C -3.218 -2.600 2.854 . . . 1.0 . . . . . . . . . . . . A . 27 ARG CA . . . . . . . . . rr_1j5j 1
. 1 . 408 . 1 1 27 ARG CB C -4.573 -2.694 3.558 . . . 1.0 . . . . . . . . . . . . A . 27 ARG CB . . . . . . . . . rr_1j5j 1
. 1 . 409 . 1 1 27 ARG CD C -6.168 -4.217 4.780 . . . 1.0 . . . . . . . . . . . . A . 27 ARG CD . . . . . . . . . rr_1j5j 1
. 1 . 410 . 1 1 27 ARG CG C -4.903 -4.142 3.923 . . . 1.0 . . . . . . . . . . . . A . 27 ARG CG . . . . . . . . . rr_1j5j 1
. 1 . 411 . 1 1 27 ARG CZ C -5.845 -6.236 6.203 . . . 1.0 . . . . . . . . . . . . A . 27 ARG CZ . . . . . . . . . rr_1j5j 1
. 1 . 412 . 1 1 27 ARG H H -3.119 -0.774 1.857 . . . 1.0 . . . . . . . . . . . . A . 27 ARG H . . . . . . . . . rr_1j5j 1
. 1 . 413 . 1 1 27 ARG HA H -2.441 -3.056 3.468 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HA . . . . . . . . . rr_1j5j 1
. 1 . 414 . 1 1 27 ARG HB2 H -4.561 -2.081 4.459 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HB2 . . . . . . . . . rr_1j5j 1
. 1 . 415 . 1 1 27 ARG HB3 H -5.352 -2.291 2.910 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HB3 . . . . . . . . . rr_1j5j 1
. 1 . 416 . 1 1 27 ARG HD2 H -6.052 -3.599 5.670 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HD2 . . . . . . . . . rr_1j5j 1
. 1 . 417 . 1 1 27 ARG HD3 H -7.017 -3.818 4.225 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HD3 . . . . . . . . . rr_1j5j 1
. 1 . 418 . 1 1 27 ARG HE H -7.093 -6.140 4.628 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HE . . . . . . . . . rr_1j5j 1
. 1 . 419 . 1 1 27 ARG HG2 H -5.039 -4.728 3.014 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HG2 . . . . . . . . . rr_1j5j 1
. 1 . 420 . 1 1 27 ARG HG3 H -4.066 -4.584 4.464 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HG3 . . . . . . . . . rr_1j5j 1
. 1 . 421 . 1 1 27 ARG HH11 H -4.587 -4.695 6.628 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HH11 . . . . . . . . . rr_1j5j 1
. 1 . 422 . 1 1 27 ARG HH12 H -4.475 -6.053 7.696 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HH12 . . . . . . . . . rr_1j5j 1
. 1 . 423 . 1 1 27 ARG HH21 H -6.926 -7.948 6.020 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HH21 . . . . . . . . . rr_1j5j 1
. 1 . 424 . 1 1 27 ARG HH22 H -5.771 -7.940 7.311 . . . 1.0 . . . . . . . . . . . . A . 27 ARG HH22 . . . . . . . . . rr_1j5j 1
. 1 . 425 . 1 1 27 ARG N N -2.804 -1.217 2.696 . . . 1.0 . . . . . . . . . . . . A . 27 ARG N . . . . . . . . . rr_1j5j 1
. 1 . 426 . 1 1 27 ARG NE N -6.433 -5.620 5.170 . . . 1.0 . . . . . . . . . . . . A . 27 ARG NE . . . . . . . . . rr_1j5j 1
. 1 . 427 . 1 1 27 ARG NH1 N -4.887 -5.609 6.901 . . . 1.0 . . . . . . . . . . . . A . 27 ARG NH1 . . . . . . . . . rr_1j5j 1
. 1 . 428 . 1 1 27 ARG NH2 N -6.213 -7.480 6.539 . . . 1.0 . . . . . . . . . . . . A . 27 ARG NH2 . . . . . . . . . rr_1j5j 1
. 1 . 429 . 1 1 27 ARG O O -3.745 -2.676 0.513 . . . 1.0 . . . . . . . . . . . . A . 27 ARG O . . . . . . . . . rr_1j5j 1
. 1 . 430 . 1 1 28 CYS C C -4.217 -5.838 -0.097 . . . 1.0 . . . . . . . . . . . . A . 28 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 431 . 1 1 28 CYS CA C -2.826 -5.284 0.215 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 432 . 1 1 28 CYS CB C -1.770 -6.390 0.274 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 433 . 1 1 28 CYS H H -2.617 -5.056 2.275 . . . 1.0 . . . . . . . . . . . . A . 28 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 434 . 1 1 28 CYS HA H -2.511 -4.574 -0.550 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 435 . 1 1 28 CYS HB2 H -0.881 -5.998 0.767 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 436 . 1 1 28 CYS HB3 H -2.149 -7.201 0.895 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 437 . 1 1 28 CYS N N -2.899 -4.544 1.464 . . . 1.0 . . . . . . . . . . . . A . 28 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 438 . 1 1 28 CYS O O -4.618 -6.864 0.449 . . . 1.0 . . . . . . . . . . . . A . 28 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 439 . 1 1 28 CYS SG S -1.287 -7.076 -1.352 . . . 1.0 . . . . . . . . . . . . A . 28 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 440 . 1 1 29 VAL C C -6.190 -6.340 -2.661 . . . 1.0 . . . . . . . . . . . . A . 29 VAL C . . . . . . . . . rr_1j5j 1
. 1 . 441 . 1 1 29 VAL CA C -6.258 -5.537 -1.361 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CA . . . . . . . . . rr_1j5j 1
. 1 . 442 . 1 1 29 VAL CB C -7.165 -4.309 -1.463 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CB . . . . . . . . . rr_1j5j 1
. 1 . 443 . 1 1 29 VAL CG1 C -8.550 -4.694 -1.988 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG1 . . . . . . . . . rr_1j5j 1
. 1 . 444 . 1 1 29 VAL CG2 C -7.268 -3.589 -0.117 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG2 . . . . . . . . . rr_1j5j 1
. 1 . 445 . 1 1 29 VAL H H -4.581 -4.302 -1.419 . . . 1.0 . . . . . . . . . . . . A . 29 VAL H . . . . . . . . . rr_1j5j 1
. 1 . 446 . 1 1 29 VAL HA H -6.647 -6.179 -0.572 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HA . . . . . . . . . rr_1j5j 1
. 1 . 447 . 1 1 29 VAL HB H -6.716 -3.619 -2.178 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HB . . . . . . . . . rr_1j5j 1
. 1 . 448 . 1 1 29 VAL HG11 H -8.953 -5.508 -1.385 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG11 . . . . . . . . . rr_1j5j 1
. 1 . 449 . 1 1 29 VAL HG12 H -9.214 -3.832 -1.924 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG12 . . . . . . . . . rr_1j5j 1
. 1 . 450 . 1 1 29 VAL HG13 H -8.469 -5.014 -3.025 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG13 . . . . . . . . . rr_1j5j 1
. 1 . 451 . 1 1 29 VAL HG21 H -7.679 -4.270 0.628 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG21 . . . . . . . . . rr_1j5j 1
. 1 . 452 . 1 1 29 VAL HG22 H -6.276 -3.263 0.198 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG22 . . . . . . . . . rr_1j5j 1
. 1 . 453 . 1 1 29 VAL HG23 H -7.921 -2.723 -0.217 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG23 . . . . . . . . . rr_1j5j 1
. 1 . 454 . 1 1 29 VAL N N -4.916 -5.133 -0.975 . . . 1.0 . . . . . . . . . . . . A . 29 VAL N . . . . . . . . . rr_1j5j 1
. 1 . 455 . 1 1 29 VAL O O -5.864 -5.796 -3.715 . . . 1.0 . . . . . . . . . . . . A . 29 VAL O . . . . . . . . . rr_1j5j 1
. 1 . 456 . 1 1 30 ASN C C -5.318 -8.459 -4.498 . . . 1.0 . . . . . . . . . . . . A . 30 ASN C . . . . . . . . . rr_1j5j 1
. 1 . 457 . 1 1 30 ASN CA C -6.633 -8.471 -3.717 . . . 1.0 . . . . . . . . . . . . A . 30 ASN CA . . . . . . . . . rr_1j5j 1
. 1 . 458 . 1 1 30 ASN CB C -7.738 -7.963 -4.644 . . . 1.0 . . . . . . . . . . . . A . 30 ASN CB . . . . . . . . . rr_1j5j 1
. 1 . 459 . 1 1 30 ASN CG C -9.059 -7.805 -3.888 . . . 1.0 . . . . . . . . . . . . A . 30 ASN CG . . . . . . . . . rr_1j5j 1
. 1 . 460 . 1 1 30 ASN H H -6.666 -8.081 -1.671 . . . 1.0 . . . . . . . . . . . . A . 30 ASN H . . . . . . . . . rr_1j5j 1
. 1 . 461 . 1 1 30 ASN HA H -6.879 -9.459 -3.329 . . . 1.0 . . . . . . . . . . . . A . 30 ASN HA . . . . . . . . . rr_1j5j 1
. 1 . 462 . 1 1 30 ASN HB2 H -7.445 -7.006 -5.076 . . . 1.0 . . . . . . . . . . . . A . 30 ASN HB2 . . . . . . . . . rr_1j5j 1
. 1 . 463 . 1 1 30 ASN HB3 H -7.870 -8.659 -5.473 . . . 1.0 . . . . . . . . . . . . A . 30 ASN HB3 . . . . . . . . . rr_1j5j 1
. 1 . 464 . 1 1 30 ASN HD21 H -9.711 -6.595 -5.375 . . . 1.0 . . . . . . . . . . . . A . 30 ASN HD21 . . . . . . . . . rr_1j5j 1
. 1 . 465 . 1 1 30 ASN HD22 H -10.828 -6.838 -4.073 . . . 1.0 . . . . . . . . . . . . A . 30 ASN HD22 . . . . . . . . . rr_1j5j 1
. 1 . 466 . 1 1 30 ASN N N -6.503 -7.623 -2.544 . . . 1.0 . . . . . . . . . . . . A . 30 ASN N . . . . . . . . . rr_1j5j 1
. 1 . 467 . 1 1 30 ASN ND2 N -9.939 -7.014 -4.496 . . . 1.0 . . . . . . . . . . . . A . 30 ASN ND2 . . . . . . . . . rr_1j5j 1
. 1 . 468 . 1 1 30 ASN O O -5.322 -8.496 -5.728 . . . 1.0 . . . . . . . . . . . . A . 30 ASN O . . . . . . . . . rr_1j5j 1
. 1 . 469 . 1 1 30 ASN OD1 O -9.266 -8.364 -2.824 . . . 1.0 . . . . . . . . . . . . A . 30 ASN OD1 . . . . . . . . . rr_1j5j 1
. 1 . 470 . 1 1 31 GLY C C -2.353 -7.286 -4.887 . . . 1.0 . . . . . . . . . . . . A . 31 GLY C . . . . . . . . . rr_1j5j 1
. 1 . 471 . 1 1 31 GLY CA C -2.908 -8.602 -4.338 . . . 1.0 . . . . . . . . . . . . A . 31 GLY CA . . . . . . . . . rr_1j5j 1
. 1 . 472 . 1 1 31 GLY H H -4.226 -8.237 -2.767 . . . 1.0 . . . . . . . . . . . . A . 31 GLY H . . . . . . . . . rr_1j5j 1
. 1 . 473 . 1 1 31 GLY HA2 H -2.227 -9.002 -3.588 . . . 1.0 . . . . . . . . . . . . A . 31 GLY HA2 . . . . . . . . . rr_1j5j 1
. 1 . 474 . 1 1 31 GLY HA3 H -2.968 -9.338 -5.140 . . . 1.0 . . . . . . . . . . . . A . 31 GLY HA3 . . . . . . . . . rr_1j5j 1
. 1 . 475 . 1 1 31 GLY N N -4.223 -8.408 -3.752 . . . 1.0 . . . . . . . . . . . . A . 31 GLY N . . . . . . . . . rr_1j5j 1
. 1 . 476 . 1 1 31 GLY O O -1.322 -7.275 -5.558 . . . 1.0 . . . . . . . . . . . . A . 31 GLY O . . . . . . . . . rr_1j5j 1
. 1 . 477 . 1 1 32 PHE C C -2.843 -3.859 -3.891 . . . 1.0 . . . . . . . . . . . . A . 32 PHE C . . . . . . . . . rr_1j5j 1
. 1 . 478 . 1 1 32 PHE CA C -2.633 -4.886 -5.005 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CA . . . . . . . . . rr_1j5j 1
. 1 . 479 . 1 1 32 PHE CB C -3.497 -4.500 -6.208 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CB . . . . . . . . . rr_1j5j 1
. 1 . 480 . 1 1 32 PHE CD1 C -2.099 -5.221 -8.157 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CD1 . . . . . . . . . rr_1j5j 1
. 1 . 481 . 1 1 32 PHE CD2 C -4.190 -6.263 -7.847 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CD2 . . . . . . . . . rr_1j5j 1
. 1 . 482 . 1 1 32 PHE CE1 C -1.873 -6.018 -9.310 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CE1 . . . . . . . . . rr_1j5j 1
. 1 . 483 . 1 1 32 PHE CE2 C -3.963 -7.060 -9.001 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CE2 . . . . . . . . . rr_1j5j 1
. 1 . 484 . 1 1 32 PHE CG C -3.253 -5.360 -7.450 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CG . . . . . . . . . rr_1j5j 1
. 1 . 485 . 1 1 32 PHE CZ C -2.809 -6.921 -9.707 . . . 1.0 . . . . . . . . . . . . A . 32 PHE CZ . . . . . . . . . rr_1j5j 1
. 1 . 486 . 1 1 32 PHE H H -3.912 -6.229 -4.055 . . . 1.0 . . . . . . . . . . . . A . 32 PHE H . . . . . . . . . rr_1j5j 1
. 1 . 487 . 1 1 32 PHE HA H -1.571 -4.951 -5.243 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HA . . . . . . . . . rr_1j5j 1
. 1 . 488 . 1 1 32 PHE HB2 H -4.548 -4.576 -5.926 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HB2 . . . . . . . . . rr_1j5j 1
. 1 . 489 . 1 1 32 PHE HB3 H -3.308 -3.457 -6.458 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HB3 . . . . . . . . . rr_1j5j 1
. 1 . 490 . 1 1 32 PHE HD1 H -1.349 -4.498 -7.839 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HD1 . . . . . . . . . rr_1j5j 1
. 1 . 491 . 1 1 32 PHE HD2 H -5.114 -6.373 -7.280 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HD2 . . . . . . . . . rr_1j5j 1
. 1 . 492 . 1 1 32 PHE HE1 H -0.948 -5.907 -9.877 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HE1 . . . . . . . . . rr_1j5j 1
. 1 . 493 . 1 1 32 PHE HE2 H -4.714 -7.783 -9.319 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HE2 . . . . . . . . . rr_1j5j 1
. 1 . 494 . 1 1 32 PHE HZ H -2.635 -7.532 -10.592 . . . 1.0 . . . . . . . . . . . . A . 32 PHE HZ . . . . . . . . . rr_1j5j 1
. 1 . 495 . 1 1 32 PHE N N -3.061 -6.208 -4.581 . . . 1.0 . . . . . . . . . . . . A . 32 PHE N . . . . . . . . . rr_1j5j 1
. 1 . 496 . 1 1 32 PHE O O -3.826 -3.927 -3.155 . . . 1.0 . . . . . . . . . . . . A . 32 PHE O . . . . . . . . . rr_1j5j 1
. 1 . 497 . 1 1 33 CYS C C -3.016 -1.063 -2.743 . . . 1.0 . . . . . . . . . . . . A . 33 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 498 . 1 1 33 CYS CA C -1.839 -2.035 -2.658 . . . 1.0 . . . . . . . . . . . . A . 33 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 499 . 1 1 33 CYS CB C -0.498 -1.303 -2.586 . . . 1.0 . . . . . . . . . . . . A . 33 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 500 . 1 1 33 CYS H H -1.193 -2.783 -4.493 . . . 1.0 . . . . . . . . . . . . A . 33 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 501 . 1 1 33 CYS HA H -1.915 -2.660 -1.768 . . . 1.0 . . . . . . . . . . . . A . 33 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 502 . 1 1 33 CYS HB2 H -0.359 -0.738 -3.508 . . . 1.0 . . . . . . . . . . . . A . 33 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 503 . 1 1 33 CYS HB3 H -0.538 -0.579 -1.772 . . . 1.0 . . . . . . . . . . . . A . 33 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 504 . 1 1 33 CYS N N -1.902 -2.929 -3.802 . . . 1.0 . . . . . . . . . . . . A . 33 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 505 . 1 1 33 CYS O O -3.360 -0.591 -3.825 . . . 1.0 . . . . . . . . . . . . A . 33 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 506 . 1 1 33 CYS SG S 0.956 -2.385 -2.338 . . . 1.0 . . . . . . . . . . . . A . 33 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 507 . 1 1 34 ASP C C -4.130 1.209 -0.306 . . . 1.0 . . . . . . . . . . . . A . 34 ASP C . . . . . . . . . rr_1j5j 1
. 1 . 508 . 1 1 34 ASP CA C -4.551 0.302 -1.465 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CA . . . . . . . . . rr_1j5j 1
. 1 . 509 . 1 1 34 ASP CB C -5.959 -0.216 -1.173 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CB . . . . . . . . . rr_1j5j 1
. 1 . 510 . 1 1 34 ASP CG C -7.053 0.854 -1.164 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CG . . . . . . . . . rr_1j5j 1
. 1 . 511 . 1 1 34 ASP H H -3.443 -1.307 -0.744 . . . 1.0 . . . . . . . . . . . . A . 34 ASP H . . . . . . . . . rr_1j5j 1
. 1 . 512 . 1 1 34 ASP HA H -4.520 0.815 -2.427 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HA . . . . . . . . . rr_1j5j 1
. 1 . 513 . 1 1 34 ASP HB2 H -6.216 -0.970 -1.917 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB2 . . . . . . . . . rr_1j5j 1
. 1 . 514 . 1 1 34 ASP HB3 H -5.953 -0.715 -0.204 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB3 . . . . . . . . . rr_1j5j 1
. 1 . 515 . 1 1 34 ASP HD2 H -7.722 2.367 -0.264 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HD2 . . . . . . . . . rr_1j5j 1
. 1 . 516 . 1 1 34 ASP N N -3.605 -0.793 -1.586 . . . 1.0 . . . . . . . . . . . . A . 34 ASP N . . . . . . . . . rr_1j5j 1
. 1 . 517 . 1 1 34 ASP O O -3.936 0.740 0.815 . . . 1.0 . . . . . . . . . . . . A . 34 ASP O . . . . . . . . . rr_1j5j 1
. 1 . 518 . 1 1 34 ASP OD1 O -7.936 0.872 -2.035 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD1 . . . . . . . . . rr_1j5j 1
. 1 . 519 . 1 1 34 ASP OD2 O -6.975 1.706 -0.199 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD2 . . . . . . . . . rr_1j5j 1
. 1 . 520 . 1 1 35 CYS C C -4.518 4.342 0.853 . . . 1.0 . . . . . . . . . . . . A . 35 CYS C . . . . . . . . . rr_1j5j 1
. 1 . 521 . 1 1 35 CYS CA C -3.409 3.431 0.322 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CA . . . . . . . . . rr_1j5j 1
. 1 . 522 . 1 1 35 CYS CB C -2.274 4.230 -0.320 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CB . . . . . . . . . rr_1j5j 1
. 1 . 523 . 1 1 35 CYS H H -4.293 2.887 -1.486 . . . 1.0 . . . . . . . . . . . . A . 35 CYS H . . . . . . . . . rr_1j5j 1
. 1 . 524 . 1 1 35 CYS HA H -2.976 2.838 1.128 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HA . . . . . . . . . rr_1j5j 1
. 1 . 525 . 1 1 35 CYS HB2 H -2.696 4.889 -1.079 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB2 . . . . . . . . . rr_1j5j 1
. 1 . 526 . 1 1 35 CYS HB3 H -1.823 4.867 0.440 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB3 . . . . . . . . . rr_1j5j 1
. 1 . 527 . 1 1 35 CYS N N -4.001 2.491 -0.615 . . . 1.0 . . . . . . . . . . . . A . 35 CYS N . . . . . . . . . rr_1j5j 1
. 1 . 528 . 1 1 35 CYS O O -5.416 4.732 0.108 . . . 1.0 . . . . . . . . . . . . A . 35 CYS O . . . . . . . . . rr_1j5j 1
. 1 . 529 . 1 1 35 CYS SG S -0.960 3.214 -1.090 . . . 1.0 . . . . . . . . . . . . A . 35 CYS SG . . . . . . . . . rr_1j5j 1
. 1 . 530 . 1 1 36 PHE C C -4.872 6.099 4.074 . . . 1.0 . . . . . . . . . . . . A . 36 PHE C . . . . . . . . . rr_1j5j 1
. 1 . 531 . 1 1 36 PHE CA C -5.420 5.484 2.784 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CA . . . . . . . . . rr_1j5j 1
. 1 . 532 . 1 1 36 PHE CB C -6.603 4.578 3.128 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CB . . . . . . . . . rr_1j5j 1
. 1 . 533 . 1 1 36 PHE CD1 C -5.864 2.189 3.266 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CD1 . . . . . . . . . rr_1j5j 1
. 1 . 534 . 1 1 36 PHE CD2 C -6.228 3.354 5.281 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CD2 . . . . . . . . . rr_1j5j 1
. 1 . 535 . 1 1 36 PHE CE1 C -5.507 1.028 4.002 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CE1 . . . . . . . . . rr_1j5j 1
. 1 . 536 . 1 1 36 PHE CE2 C -5.870 2.193 6.016 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CE2 . . . . . . . . . rr_1j5j 1
. 1 . 537 . 1 1 36 PHE CG C -6.217 3.327 3.921 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CG . . . . . . . . . rr_1j5j 1
. 1 . 538 . 1 1 36 PHE CZ C -5.518 1.054 5.361 . . . 1.0 . . . . . . . . . . . . A . 36 PHE CZ . . . . . . . . . rr_1j5j 1
. 1 . 539 . 1 1 36 PHE H H -3.676 4.347 2.731 . . . 1.0 . . . . . . . . . . . . A . 36 PHE H . . . . . . . . . rr_1j5j 1
. 1 . 540 . 1 1 36 PHE HA H -5.678 6.281 2.086 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HA . . . . . . . . . rr_1j5j 1
. 1 . 541 . 1 1 36 PHE HB2 H -7.331 5.149 3.703 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HB2 . . . . . . . . . rr_1j5j 1
. 1 . 542 . 1 1 36 PHE HB3 H -7.094 4.273 2.205 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HB3 . . . . . . . . . rr_1j5j 1
. 1 . 543 . 1 1 36 PHE HD1 H -5.856 2.167 2.176 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HD1 . . . . . . . . . rr_1j5j 1
. 1 . 544 . 1 1 36 PHE HD2 H -6.511 4.265 5.806 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HD2 . . . . . . . . . rr_1j5j 1
. 1 . 545 . 1 1 36 PHE HE1 H -5.224 0.116 3.477 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HE1 . . . . . . . . . rr_1j5j 1
. 1 . 546 . 1 1 36 PHE HE2 H -5.879 2.214 7.106 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HE2 . . . . . . . . . rr_1j5j 1
. 1 . 547 . 1 1 36 PHE HZ H -5.242 0.164 5.926 . . . 1.0 . . . . . . . . . . . . A . 36 PHE HZ . . . . . . . . . rr_1j5j 1
. 1 . 548 . 1 1 36 PHE N N -4.420 4.653 2.137 . . . 1.0 . . . . . . . . . . . . A . 36 PHE N . . . . . . . . . rr_1j5j 1
. 1 . 549 . 1 1 36 PHE O O -3.861 5.639 4.603 . . . 1.0 . . . . . . . . . . . . A . 36 PHE O . . . . . . . . . rr_1j5j 1
. 1 . 550 . 1 1 36 PHE OXT O -5.543 7.102 4.529 . . . 1.0 . . . . . . . . . . . . A . 36 PHE OXT . . . . . . . . . rr_1j5j 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_1j5j
_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 1j5j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 2 distance NOE simple 326 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 3 distance NOE simple 67 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 4 distance "disulfide bond" simple 9 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 5 distance "disulfide bond" simple 9 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 64 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 64 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 8 "dihedral angle" "Not applicable" "Not applicable" 114 rr_1j5j 1
1 1j5j.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5j 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_1j5j
_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: '1j5j'" . . . . distance "general distance" . 326 rr_1j5j 1
2 "From CCPN project: '1j5j'" . . . . distance "general distance" . 67 rr_1j5j 1
3 "From CCPN project: '1j5j'" . . . . distance "general distance" . 9 rr_1j5j 1
4 "From CCPN project: '1j5j'" . . . . distance "general distance" . 9 rr_1j5j 1
5 "From CCPN project: '1j5j'" . . . . distance "hydrogen bond" . 62 rr_1j5j 1
6 "From CCPN project: '1j5j'" . . . . distance "hydrogen bond" . 62 rr_1j5j 1
7 "From CCPN project: '1j5j'" . . . . "dihedral angle" "Not applicable" . 114 rr_1j5j 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 1j5j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 2 distance NOE simple 326 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 3 distance NOE simple 67 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 4 distance "disulfide bond" simple 9 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 5 distance "disulfide bond" simple 9 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 64 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 64 rr_1j5j 1
1 1j5j.mr . . DYANA/DIANA 8 "dihedral angle" "Not applicable" "Not applicable" 114 rr_1j5j 1
1 1j5j.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5j 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_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_1j5j 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 1 1 ARG HA H . . . 1 1 2 2 PRO HD2 H . . . . . . . 3.08 . . . . . A . 1 ARG HA . . A . 2 PRO HD2 . . . 1 ARG HA . . . . . 2 PRO HD2 . . rr_1j5j 1
2 1 . . 1 1 1 1 ARG HA H . . . 1 1 2 2 PRO HD3 H . . . . . . . 2.62 . . . . . A . 1 ARG HA . . A . 2 PRO HD3 . . . 1 ARG HA . . . . . 2 PRO HD3 . . rr_1j5j 1
3 1 OR . 1 1 2 2 PRO HD2 H . . . 1 1 1 1 ARG HB2 H . . . . . . . 4.14 . . . . . A . 1 ARG HB2 . . A . 2 PRO HD2 . . . 1 ARG QB . . . . . 2 PRO HD2 . . rr_1j5j 1
3 2 OR . 1 1 2 2 PRO HD2 H . . . 1 1 1 1 ARG HB3 H . . . . . . . 4.14 . . . . . A . 1 ARG HB3 . . A . 2 PRO HD2 . . . 1 ARG QB . . . . . 2 PRO HD2 . . rr_1j5j 1
4 1 OR . 1 1 2 2 PRO HD3 H . . . 1 1 1 1 ARG HB2 H . . . . . . . 5.01 . . . . . A . 1 ARG HB2 . . A . 2 PRO HD3 . . . 1 ARG QB . . . . . 2 PRO HD3 . . rr_1j5j 1
4 2 OR . 1 1 2 2 PRO HD3 H . . . 1 1 1 1 ARG HB3 H . . . . . . . 5.01 . . . . . A . 1 ARG HB3 . . A . 2 PRO HD3 . . . 1 ARG QB . . . . . 2 PRO HD3 . . rr_1j5j 1
5 1 . . 1 1 2 2 PRO HA H . . . 1 1 3 3 THR H H . . . . . . . 2.59 . . . . . A . 2 PRO HA . . A . 3 THR H . . . 2 PRO HA . . . . . 3 THR HN . . rr_1j5j 1
6 1 . . 1 1 2 2 PRO HA H . . . 1 1 34 34 ASP HA H . . . . . . . 2.80 . . . . . A . 2 PRO HA . . A . 34 ASP HA . . . 2 PRO HA . . . . . 34 ASP HA . . rr_1j5j 1
7 1 . . 1 1 2 2 PRO HA H . . . 1 1 35 35 CYS H H . . . . . . . 4.07 . . . . . A . 2 PRO HA . . A . 35 CYS H . . . 2 PRO HA . . . . . 35 CYS HN . . rr_1j5j 1
8 1 . . 1 1 3 3 THR H H . . . 1 1 2 2 PRO HB2 H . . . . . . . 3.48 . . . . . A . 2 PRO HB2 . . A . 3 THR H . . . 2 PRO HB2 . . . . . 3 THR HN . . rr_1j5j 1
9 1 . . 1 1 2 2 PRO HB2 H . . . 1 1 3 3 THR MG H . . . . . . . 6.53 . . . . . A . 2 PRO HB2 . . A . 3 THR MG . . . 2 PRO HB2 . . . . . 3 THR QG2 . . rr_1j5j 1
10 1 . . 1 1 3 3 THR H H . . . 1 1 2 2 PRO HB3 H . . . . . . . 3.76 . . . . . A . 2 PRO HB3 . . A . 3 THR H . . . 2 PRO HB3 . . . . . 3 THR HN . . rr_1j5j 1
11 1 . . 1 1 3 3 THR H H . . . 1 1 3 3 THR MG H . . . . . . . 4.48 . . . . . A . 3 THR H . . A . 3 THR MG . . . 3 THR HN . . . . . 3 THR QG2 . . rr_1j5j 1
12 1 . . 1 1 3 3 THR H H . . . 1 1 4 4 ASP H H . . . . . . . 4.17 . . . . . A . 3 THR H . . A . 4 ASP H . . . 3 THR HN . . . . . 4 ASP HN . . rr_1j5j 1
13 1 . . 1 1 3 3 THR H H . . . 1 1 34 34 ASP HA H . . . . . . . 3.55 . . . . . A . 3 THR H . . A . 34 ASP HA . . . 3 THR HN . . . . . 34 ASP HA . . rr_1j5j 1
14 1 . . 1 1 4 4 ASP H H . . . 1 1 3 3 THR HA H . . . . . . . 3.21 . . . . . A . 3 THR HA . . A . 4 ASP H . . . 3 THR HA . . . . . 4 ASP HN . . rr_1j5j 1
15 1 . . 1 1 4 4 ASP H H . . . 1 1 3 3 THR HB H . . . . . . . 2.46 . . . . . A . 3 THR HB . . A . 4 ASP H . . . 3 THR HB . . . . . 4 ASP HN . . rr_1j5j 1
16 1 . . 1 1 3 3 THR HB H . . . 1 1 5 5 ILE H H . . . . . . . 3.05 . . . . . A . 3 THR HB . . A . 5 ILE H . . . 3 THR HB . . . . . 5 ILE HN . . rr_1j5j 1
17 1 OR . 1 1 3 3 THR HB H . . . 1 1 5 5 ILE HG13 H . . . . . . . 5.85 . . . . . A . 3 THR HB . . A . 5 ILE HG13 . . . 3 THR HB . . . . . 5 ILE QG1 . . rr_1j5j 1
17 2 OR . 1 1 3 3 THR HB H . . . 1 1 5 5 ILE HG12 H . . . . . . . 5.85 . . . . . A . 3 THR HB . . A . 5 ILE HG12 . . . 3 THR HB . . . . . 5 ILE QG1 . . rr_1j5j 1
18 1 . . 1 1 3 3 THR HB H . . . 1 1 5 5 ILE MD H . . . . . . . 6.43 . . . . . A . 3 THR HB . . A . 5 ILE MD . . . 3 THR HB . . . . . 5 ILE QD1 . . rr_1j5j 1
19 1 . . 1 1 3 3 THR HB H . . . 1 1 21 21 PHE HZ H . . . . . . . 5.47 . . . . . A . 3 THR HB . . A . 21 PHE HZ . . . 3 THR HB . . . . . 21 PHE HZ . . rr_1j5j 1
20 1 . . 1 1 3 3 THR MG H . . . 1 1 4 4 ASP H H . . . . . . . 5.60 . . . . . A . 3 THR MG . . A . 4 ASP H . . . 3 THR QG2 . . . . . 4 ASP HN . . rr_1j5j 1
21 1 . . 1 1 3 3 THR MG H . . . 1 1 5 5 ILE H H . . . . . . . 6.53 . . . . . A . 3 THR MG . . A . 5 ILE H . . . 3 THR QG2 . . . . . 5 ILE HN . . rr_1j5j 1
22 1 OR . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HD2 H . . . . . . . 8.65 . . . . . A . 3 THR MG . . A . 21 PHE HD2 . . . 3 THR QG2 . . . . . 21 PHE QD . . rr_1j5j 1
22 2 OR . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HD1 H . . . . . . . 8.65 . . . . . A . 3 THR MG . . A . 21 PHE HD1 . . . 3 THR QG2 . . . . . 21 PHE QD . . rr_1j5j 1
23 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HZ H . . . . . . . 5.91 . . . . . A . 3 THR MG . . A . 21 PHE HZ . . . 3 THR QG2 . . . . . 21 PHE HZ . . rr_1j5j 1
24 1 . . 1 1 34 34 ASP HA H . . . 1 1 3 3 THR MG H . . . . . . . 5.72 . . . . . A . 3 THR MG . . A . 34 ASP HA . . . 3 THR QG2 . . . . . 34 ASP HA . . rr_1j5j 1
25 1 . . 1 1 35 35 CYS H H . . . 1 1 3 3 THR MG H . . . . . . . 5.26 . . . . . A . 3 THR MG . . A . 35 CYS H . . . 3 THR QG2 . . . . . 35 CYS HN . . rr_1j5j 1
26 1 . . 1 1 3 3 THR MG H . . . 1 1 35 35 CYS HB2 H . . . . . . . 5.60 . . . . . A . 3 THR MG . . A . 35 CYS HB2 . . . 3 THR QG2 . . . . . 35 CYS HB2 . . rr_1j5j 1
27 1 . . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB2 H . . . . . . . 3.76 . . . . . A . 4 ASP H . . A . 4 ASP HB2 . . . 4 ASP HN . . . . . 4 ASP HB2 . . rr_1j5j 1
28 1 . . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB3 H . . . . . . . 3.21 . . . . . A . 4 ASP H . . A . 4 ASP HB3 . . . 4 ASP HN . . . . . 4 ASP HB3 . . rr_1j5j 1
29 1 . . 1 1 4 4 ASP H H . . . 1 1 5 5 ILE H H . . . . . . . 3.08 . . . . . A . 4 ASP H . . A . 5 ILE H . . . 4 ASP HN . . . . . 5 ILE HN . . rr_1j5j 1
30 1 . . 1 1 4 4 ASP H H . . . 1 1 5 5 ILE MD H . . . . . . . 6.53 . . . . . A . 4 ASP H . . A . 5 ILE MD . . . 4 ASP HN . . . . . 5 ILE QD1 . . rr_1j5j 1
31 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HB H . . . . . . . 2.68 . . . . . A . 5 ILE H . . A . 5 ILE HB . . . 5 ILE HN . . . . . 5 ILE HB . . rr_1j5j 1
32 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.61 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 ILE HN . . . . . 5 ILE HG12 . . rr_1j5j 1
33 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.61 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 ILE HN . . . . . 5 ILE HG13 . . rr_1j5j 1
34 1 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.33 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 ILE HN . . . . . 5 ILE QG1 . . rr_1j5j 1
34 2 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.33 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 ILE HN . . . . . 5 ILE QG1 . . rr_1j5j 1
35 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MD H . . . . . . . 6.53 . . . . . A . 5 ILE H . . A . 5 ILE MD . . . 5 ILE HN . . . . . 5 ILE QD1 . . rr_1j5j 1
36 1 OR . 1 1 5 5 ILE H H . . . 1 1 32 32 PHE HD1 H . . . . . . . 6.82 . . . . . A . 5 ILE H . . A . 32 PHE HD1 . . . 5 ILE HN . . . . . 32 PHE QD . . rr_1j5j 1
36 2 OR . 1 1 5 5 ILE H H . . . 1 1 32 32 PHE HD2 H . . . . . . . 6.82 . . . . . A . 5 ILE H . . A . 32 PHE HD2 . . . 5 ILE HN . . . . . 32 PHE QD . . rr_1j5j 1
37 1 . . 1 1 5 5 ILE H H . . . 1 1 33 33 CYS H H . . . . . . . 4.04 . . . . . A . 5 ILE H . . A . 33 CYS H . . . 5 ILE HN . . . . . 33 CYS HN . . rr_1j5j 1
38 1 . . 1 1 5 5 ILE H H . . . 1 1 33 33 CYS HB2 H . . . . . . . 5.50 . . . . . A . 5 ILE H . . A . 33 CYS HB2 . . . 5 ILE HN . . . . . 33 CYS HB2 . . rr_1j5j 1
39 1 . . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE HA H . . . . . . . 4.11 . . . . . A . 5 ILE HA . . A . 5 ILE HG12 . . . 5 ILE HA . . . . . 5 ILE HG12 . . rr_1j5j 1
40 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.11 . . . . . A . 5 ILE HA . . A . 5 ILE HG13 . . . 5 ILE HA . . . . . 5 ILE HG13 . . rr_1j5j 1
41 1 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.71 . . . . . A . 5 ILE HA . . A . 5 ILE HG13 . . . 5 ILE HA . . . . . 5 ILE QG1 . . rr_1j5j 1
41 2 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE HA H . . . . . . . 3.71 . . . . . A . 5 ILE HA . . A . 5 ILE HG12 . . . 5 ILE HA . . . . . 5 ILE QG1 . . rr_1j5j 1
42 1 . . 1 1 5 5 ILE HA H . . . 1 1 6 6 LYS H H . . . . . . . 2.40 . . . . . A . 5 ILE HA . . A . 6 LYS H . . . 5 ILE HA . . . . . 6 LYS HN . . rr_1j5j 1
43 1 . . 1 1 5 5 ILE HB H . . . 1 1 33 33 CYS H H . . . . . . . 4.04 . . . . . A . 5 ILE HB . . A . 33 CYS H . . . 5 ILE HB . . . . . 33 CYS HN . . rr_1j5j 1
44 1 . . 1 1 5 5 ILE HB H . . . 1 1 33 33 CYS HB2 H . . . . . . . 2.93 . . . . . A . 5 ILE HB . . A . 33 CYS HB2 . . . 5 ILE HB . . . . . 33 CYS HB2 . . rr_1j5j 1
45 1 . . 1 1 5 5 ILE HB H . . . 1 1 33 33 CYS HB3 H . . . . . . . 4.91 . . . . . A . 5 ILE HB . . A . 33 CYS HB3 . . . 5 ILE HB . . . . . 33 CYS HB3 . . rr_1j5j 1
46 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 ILE MG H . . . . . . . 4.30 . . . . . A . 5 ILE MG . . A . 6 LYS H . . . 5 ILE QG2 . . . . . 6 LYS HN . . rr_1j5j 1
47 1 . . 1 1 5 5 ILE MG H . . . 1 1 7 7 CYS HA H . . . . . . . 6.53 . . . . . A . 5 ILE MG . . A . 7 CYS HA . . . 5 ILE QG2 . . . . . 7 CYS HA . . rr_1j5j 1
48 1 . . 1 1 33 33 CYS H H . . . 1 1 5 5 ILE MG H . . . . . . . 6.53 . . . . . A . 5 ILE MG . . A . 33 CYS H . . . 5 ILE QG2 . . . . . 33 CYS HN . . rr_1j5j 1
49 1 . . 1 1 33 33 CYS HB2 H . . . 1 1 5 5 ILE MG H . . . . . . . 4.67 . . . . . A . 5 ILE MG . . A . 33 CYS HB2 . . . 5 ILE QG2 . . . . . 33 CYS HB2 . . rr_1j5j 1
50 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 5.14 . . . . . A . 5 ILE HG13 . . A . 6 LYS H . . . 5 ILE QG1 . . . . . 6 LYS HN . . rr_1j5j 1
50 2 OR . 1 1 5 5 ILE HG12 H . . . 1 1 6 6 LYS H H . . . . . . . 5.14 . . . . . A . 5 ILE HG12 . . A . 6 LYS H . . . 5 ILE QG1 . . . . . 6 LYS HN . . rr_1j5j 1
51 1 OR . 1 1 16 16 VAL MG1 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 6.45 . . . . . A . 5 ILE HG13 . . A . 16 VAL MG1 . . . 5 ILE QG1 . . . . . 16 VAL QG1 . . rr_1j5j 1
51 2 OR . 1 1 5 5 ILE HG12 H . . . 1 1 16 16 VAL MG1 H . . . . . . . 6.45 . . . . . A . 5 ILE HG12 . . A . 16 VAL MG1 . . . 5 ILE QG1 . . . . . 16 VAL QG1 . . rr_1j5j 1
52 1 . . 1 1 5 5 ILE MD H . . . 1 1 16 16 VAL MG1 H . . . . . . . 6.56 . . . . . A . 5 ILE MD . . A . 16 VAL MG1 . . . 5 ILE QD1 . . . . . 16 VAL QG1 . . rr_1j5j 1
53 1 . . 1 1 5 5 ILE MD H . . . 1 1 21 21 PHE HZ H . . . . . . . 5.72 . . . . . A . 5 ILE MD . . A . 21 PHE HZ . . . 5 ILE QD1 . . . . . 21 PHE HZ . . rr_1j5j 1
54 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.71 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 LYS HN . . . . . 6 LYS QB . . rr_1j5j 1
54 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.71 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 LYS HN . . . . . 6 LYS QB . . rr_1j5j 1
55 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 CYS H H . . . . . . . 2.40 . . . . . A . 6 LYS HA . . A . 7 CYS H . . . 6 LYS HA . . . . . 7 CYS HN . . rr_1j5j 1
56 1 . . 1 1 6 6 LYS HA H . . . 1 1 32 32 PHE HA H . . . . . . . 2.71 . . . . . A . 6 LYS HA . . A . 32 PHE HA . . . 6 LYS HA . . . . . 32 PHE HA . . rr_1j5j 1
57 1 OR . 1 1 6 6 LYS HA H . . . 1 1 32 32 PHE HD1 H . . . . . . . 6.54 . . . . . A . 6 LYS HA . . A . 32 PHE HD1 . . . 6 LYS HA . . . . . 32 PHE QD . . rr_1j5j 1
57 2 OR . 1 1 6 6 LYS HA H . . . 1 1 32 32 PHE HD2 H . . . . . . . 6.54 . . . . . A . 6 LYS HA . . A . 32 PHE HD2 . . . 6 LYS HA . . . . . 32 PHE QD . . rr_1j5j 1
58 1 . . 1 1 33 33 CYS H H . . . 1 1 6 6 LYS HA H . . . . . . . 4.01 . . . . . A . 6 LYS HA . . A . 33 CYS H . . . 6 LYS HA . . . . . 33 CYS HN . . rr_1j5j 1
59 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 4.21 . . . . . A . 6 LYS HB3 . . A . 7 CYS H . . . 6 LYS QB . . . . . 7 CYS HN . . rr_1j5j 1
59 2 OR . 1 1 6 6 LYS HB2 H . . . 1 1 7 7 CYS H H . . . . . . . 4.21 . . . . . A . 6 LYS HB2 . . A . 7 CYS H . . . 6 LYS QB . . . . . 7 CYS HN . . rr_1j5j 1
60 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . . . 4.14 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 CYS HN . . . . . 7 CYS HB2 . . rr_1j5j 1
61 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . . . 3.83 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 CYS HN . . . . . 7 CYS HB3 . . rr_1j5j 1
62 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY HA2 H . . . . . . . 3.95 . . . . . A . 7 CYS H . . A . 31 GLY HA2 . . . 7 CYS HN . . . . . 31 GLY HA1 . . rr_1j5j 1
63 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY HA3 H . . . . . . . 4.57 . . . . . A . 7 CYS H . . A . 31 GLY HA3 . . . 7 CYS HN . . . . . 31 GLY HA2 . . rr_1j5j 1
64 1 . . 1 1 7 7 CYS H H . . . 1 1 32 32 PHE HA H . . . . . . . 3.21 . . . . . A . 7 CYS H . . A . 32 PHE HA . . . 7 CYS HN . . . . . 32 PHE HA . . rr_1j5j 1
65 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . . . 2.59 . . . . . A . 7 CYS HA . . A . 7 CYS HB2 . . . 7 CYS HA . . . . . 7 CYS HB2 . . rr_1j5j 1
66 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . . . 2.62 . . . . . A . 7 CYS HA . . A . 7 CYS HB3 . . . 7 CYS HA . . . . . 7 CYS HB3 . . rr_1j5j 1
67 1 . . 1 1 7 7 CYS HA H . . . 1 1 8 8 SER H H . . . . . . . 2.59 . . . . . A . 7 CYS HA . . A . 8 SER H . . . 7 CYS HA . . . . . 8 SER HN . . rr_1j5j 1
68 1 . . 1 1 7 7 CYS HA H . . . 1 1 9 9 GLU H H . . . . . . . 3.73 . . . . . A . 7 CYS HA . . A . 9 GLU H . . . 7 CYS HA . . . . . 9 GLU HN . . rr_1j5j 1
69 1 . . 1 1 7 7 CYS HA H . . . 1 1 12 12 GLN HE22 H . . . . . . . 5.50 . . . . . A . 7 CYS HA . . A . 12 GLN HE22 . . . 7 CYS HA . . . . . 12 GLN HE22 . . rr_1j5j 1
70 1 . . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 SER H H . . . . . . . 3.27 . . . . . A . 7 CYS HB2 . . A . 8 SER H . . . 7 CYS HB2 . . . . . 8 SER HN . . rr_1j5j 1
71 1 . . 1 1 7 7 CYS HB2 H . . . 1 1 9 9 GLU H H . . . . . . . 3.17 . . . . . A . 7 CYS HB2 . . A . 9 GLU H . . . 7 CYS HB2 . . . . . 9 GLU HN . . rr_1j5j 1
72 1 . . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 SER H H . . . . . . . 4.29 . . . . . A . 7 CYS HB3 . . A . 8 SER H . . . 7 CYS HB3 . . . . . 8 SER HN . . rr_1j5j 1
73 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . . . 4.14 . . . . . A . 8 SER H . . A . 8 SER HB2 . . . 8 SER HN . . . . . 8 SER HB2 . . rr_1j5j 1
74 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB3 H . . . . . . . 3.79 . . . . . A . 8 SER H . . A . 8 SER HB3 . . . 8 SER HN . . . . . 8 SER HB3 . . rr_1j5j 1
75 1 . . 1 1 8 8 SER H H . . . 1 1 9 9 GLU H H . . . . . . . 2.49 . . . . . A . 8 SER H . . A . 9 GLU H . . . 8 SER HN . . . . . 9 GLU HN . . rr_1j5j 1
76 1 . . 1 1 8 8 SER H H . . . 1 1 12 12 GLN HE22 H . . . . . . . 5.28 . . . . . A . 8 SER H . . A . 12 GLN HE22 . . . 8 SER HN . . . . . 12 GLN HE22 . . rr_1j5j 1
77 1 . . 1 1 8 8 SER HB2 H . . . 1 1 8 8 SER HA H . . . . . . . 2.83 . . . . . A . 8 SER HA . . A . 8 SER HB2 . . . 8 SER HA . . . . . 8 SER HB2 . . rr_1j5j 1
78 1 . . 1 1 8 8 SER HB3 H . . . 1 1 8 8 SER HA H . . . . . . . 2.86 . . . . . A . 8 SER HA . . A . 8 SER HB3 . . . 8 SER HA . . . . . 8 SER HB3 . . rr_1j5j 1
79 1 . . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.36 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 GLU HN . . . . . 9 GLU HB2 . . rr_1j5j 1
80 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 6.19 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 GLU HN . . . . . 9 GLU QG . . rr_1j5j 1
80 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 6.19 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 GLU HN . . . . . 9 GLU QG . . rr_1j5j 1
81 1 . . 1 1 9 9 GLU H H . . . 1 1 12 12 GLN HB2 H . . . . . . . 5.44 . . . . . A . 9 GLU H . . A . 12 GLN HB2 . . . 9 GLU HN . . . . . 12 GLN HB2 . . rr_1j5j 1
82 1 . . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HB3 H . . . . . . . 2.83 . . . . . A . 9 GLU HA . . A . 9 GLU HB3 . . . 9 GLU HA . . . . . 9 GLU HB3 . . rr_1j5j 1
83 1 . . 1 1 9 9 GLU HA H . . . 1 1 10 10 SER H H . . . . . . . 2.62 . . . . . A . 9 GLU HA . . A . 10 SER H . . . 9 GLU HA . . . . . 10 SER HN . . rr_1j5j 1
84 1 . . 1 1 9 9 GLU HB2 H . . . 1 1 10 10 SER H H . . . . . . . 4.07 . . . . . A . 9 GLU HB2 . . A . 10 SER H . . . 9 GLU HB2 . . . . . 10 SER HN . . rr_1j5j 1
85 1 . . 1 1 9 9 GLU HB2 H . . . 1 1 11 11 TYR QD H . . . . . . . 6.52 . . . . . A . 9 GLU HB2 . . A . 11 TYR QD . . . 9 GLU HB2 . . . . . 11 TYR QD . . rr_1j5j 1
86 1 OR . 1 1 9 9 GLU HB2 H . . . 1 1 11 11 TYR HE2 H . . . . . . . 6.64 . . . . . A . 9 GLU HB2 . . A . 11 TYR HE2 . . . 9 GLU HB2 . . . . . 11 TYR QE . . rr_1j5j 1
86 2 OR . 1 1 9 9 GLU HB2 H . . . 1 1 11 11 TYR HE1 H . . . . . . . 6.64 . . . . . A . 9 GLU HB2 . . A . 11 TYR HE1 . . . 9 GLU HB2 . . . . . 11 TYR QE . . rr_1j5j 1
87 1 . . 1 1 9 9 GLU HB3 H . . . 1 1 10 10 SER H H . . . . . . . 3.52 . . . . . A . 9 GLU HB3 . . A . 10 SER H . . . 9 GLU HB3 . . . . . 10 SER HN . . rr_1j5j 1
88 1 . . 1 1 9 9 GLU HB3 H . . . 1 1 11 11 TYR H H . . . . . . . 3.58 . . . . . A . 9 GLU HB3 . . A . 11 TYR H . . . 9 GLU HB3 . . . . . 11 TYR HN . . rr_1j5j 1
89 1 . . 1 1 9 9 GLU HB3 H . . . 1 1 11 11 TYR QD H . . . . . . . 6.46 . . . . . A . 9 GLU HB3 . . A . 11 TYR QD . . . 9 GLU HB3 . . . . . 11 TYR QD . . rr_1j5j 1
90 1 OR . 1 1 9 9 GLU HB3 H . . . 1 1 11 11 TYR HE1 H . . . . . . . 6.92 . . . . . A . 9 GLU HB3 . . A . 11 TYR HE1 . . . 9 GLU HB3 . . . . . 11 TYR QE . . rr_1j5j 1
90 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 11 11 TYR HE2 H . . . . . . . 6.92 . . . . . A . 9 GLU HB3 . . A . 11 TYR HE2 . . . 9 GLU HB3 . . . . . 11 TYR QE . . rr_1j5j 1
91 1 . . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB2 H . . . . . . . 2.99 . . . . . A . 10 SER H . . A . 10 SER HB2 . . . 10 SER HN . . . . . 10 SER HB2 . . rr_1j5j 1
92 1 . . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB3 H . . . . . . . 3.70 . . . . . A . 10 SER H . . A . 10 SER HB3 . . . 10 SER HN . . . . . 10 SER HB3 . . rr_1j5j 1
93 1 . . 1 1 10 10 SER H H . . . 1 1 11 11 TYR H H . . . . . . . 3.55 . . . . . A . 10 SER H . . A . 11 TYR H . . . 10 SER HN . . . . . 11 TYR HN . . rr_1j5j 1
94 1 . . 1 1 10 10 SER H H . . . 1 1 28 28 CYS HB2 H . . . . . . . 5.50 . . . . . A . 10 SER H . . A . 28 CYS HB2 . . . 10 SER HN . . . . . 28 CYS HB2 . . rr_1j5j 1
95 1 . . 1 1 10 10 SER H H . . . 1 1 28 28 CYS HB3 H . . . . . . . 5.44 . . . . . A . 10 SER H . . A . 28 CYS HB3 . . . 10 SER HN . . . . . 28 CYS HB3 . . rr_1j5j 1
96 1 . . 1 1 10 10 SER HA H . . . 1 1 13 13 CYS H H . . . . . . . 4.14 . . . . . A . 10 SER HA . . A . 13 CYS H . . . 10 SER HA . . . . . 13 CYS HN . . rr_1j5j 1
97 1 . . 1 1 10 10 SER HA H . . . 1 1 13 13 CYS HB2 H . . . . . . . 4.38 . . . . . A . 10 SER HA . . A . 13 CYS HB2 . . . 10 SER HA . . . . . 13 CYS HB2 . . rr_1j5j 1
98 1 . . 1 1 10 10 SER HA H . . . 1 1 27 27 ARG HA H . . . . . . . 3.92 . . . . . A . 10 SER HA . . A . 27 ARG HA . . . 10 SER HA . . . . . 27 ARG HA . . rr_1j5j 1
99 1 . . 1 1 10 10 SER HA H . . . 1 1 28 28 CYS H H . . . . . . . 2.93 . . . . . A . 10 SER HA . . A . 28 CYS H . . . 10 SER HA . . . . . 28 CYS HN . . rr_1j5j 1
100 1 . . 1 1 28 28 CYS HB2 H . . . 1 1 10 10 SER HA H . . . . . . . 2.62 . . . . . A . 10 SER HA . . A . 28 CYS HB2 . . . 10 SER HA . . . . . 28 CYS HB2 . . rr_1j5j 1
101 1 . . 1 1 28 28 CYS HB3 H . . . 1 1 10 10 SER HA H . . . . . . . 3.64 . . . . . A . 10 SER HA . . A . 28 CYS HB3 . . . 10 SER HA . . . . . 28 CYS HB3 . . rr_1j5j 1
102 1 . . 1 1 10 10 SER HB2 H . . . 1 1 28 28 CYS H H . . . . . . . 5.50 . . . . . A . 10 SER HB2 . . A . 28 CYS H . . . 10 SER HB2 . . . . . 28 CYS HN . . rr_1j5j 1
103 1 . . 1 1 11 11 TYR H H . . . 1 1 10 10 SER HB3 H . . . . . . . 4.29 . . . . . A . 10 SER HB3 . . A . 11 TYR H . . . 10 SER HB3 . . . . . 11 TYR HN . . rr_1j5j 1
104 1 . . 1 1 10 10 SER HB3 H . . . 1 1 27 27 ARG HA H . . . . . . . 3.14 . . . . . A . 10 SER HB3 . . A . 27 ARG HA . . . 10 SER HB3 . . . . . 27 ARG HA . . rr_1j5j 1
105 1 . . 1 1 10 10 SER HB3 H . . . 1 1 28 28 CYS H H . . . . . . . 4.35 . . . . . A . 10 SER HB3 . . A . 28 CYS H . . . 10 SER HB3 . . . . . 28 CYS HN . . rr_1j5j 1
106 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HB2 H . . . . . . . 3.39 . . . . . A . 11 TYR H . . A . 11 TYR HB2 . . . 11 TYR HN . . . . . 11 TYR HB2 . . rr_1j5j 1
107 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HB3 H . . . . . . . 2.83 . . . . . A . 11 TYR H . . A . 11 TYR HB3 . . . 11 TYR HN . . . . . 11 TYR HB3 . . rr_1j5j 1
108 1 . . 1 1 11 11 TYR H H . . . 1 1 12 12 GLN H H . . . . . . . 3.33 . . . . . A . 11 TYR H . . A . 12 GLN H . . . 11 TYR HN . . . . . 12 GLN HN . . rr_1j5j 1
109 1 . . 1 1 11 11 TYR HB2 H . . . 1 1 11 11 TYR HA H . . . . . . . 2.59 . . . . . A . 11 TYR HA . . A . 11 TYR HB2 . . . 11 TYR HA . . . . . 11 TYR HB2 . . rr_1j5j 1
110 1 . . 1 1 11 11 TYR HB3 H . . . 1 1 11 11 TYR HA H . . . . . . . 2.71 . . . . . A . 11 TYR HA . . A . 11 TYR HB3 . . . 11 TYR HA . . . . . 11 TYR HB3 . . rr_1j5j 1
111 1 . . 1 1 13 13 CYS H H . . . 1 1 11 11 TYR HA H . . . . . . . 4.42 . . . . . A . 11 TYR HA . . A . 13 CYS H . . . 11 TYR HA . . . . . 13 CYS HN . . rr_1j5j 1
112 1 . . 1 1 11 11 TYR HA H . . . 1 1 14 14 PHE H H . . . . . . . 4.76 . . . . . A . 11 TYR HA . . A . 14 PHE H . . . 11 TYR HA . . . . . 14 PHE HN . . rr_1j5j 1
113 1 . . 1 1 11 11 TYR HA H . . . 1 1 14 14 PHE HB2 H . . . . . . . 4.51 . . . . . A . 11 TYR HA . . A . 14 PHE HB2 . . . 11 TYR HA . . . . . 14 PHE HB2 . . rr_1j5j 1
114 1 . . 1 1 11 11 TYR HB3 H . . . 1 1 14 14 PHE QD H . . . . . . . 6.85 . . . . . A . 11 TYR HB3 . . A . 14 PHE QD . . . 11 TYR HB3 . . . . . 14 PHE QD . . rr_1j5j 1
115 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN H H . . . . . . . 2.86 . . . . . A . 12 GLN H . . A . 12 GLN HB2 . . . 12 GLN HN . . . . . 12 GLN HB2 . . rr_1j5j 1
116 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 3.79 . . . . . A . 12 GLN H . . A . 12 GLN HB3 . . . 12 GLN HN . . . . . 12 GLN HB3 . . rr_1j5j 1
117 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG2 H . . . . . . . 4.23 . . . . . A . 12 GLN H . . A . 12 GLN HG2 . . . 12 GLN HN . . . . . 12 GLN HG2 . . rr_1j5j 1
118 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG3 H . . . . . . . 3.39 . . . . . A . 12 GLN H . . A . 12 GLN HG3 . . . 12 GLN HN . . . . . 12 GLN HG3 . . rr_1j5j 1
119 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 GLN H H . . . . . . . 2.96 . . . . . A . 12 GLN H . . A . 13 CYS H . . . 12 GLN HN . . . . . 13 CYS HN . . rr_1j5j 1
120 1 . . 1 1 12 12 GLN HB3 H . . . 1 1 12 12 GLN HA H . . . . . . . 3.05 . . . . . A . 12 GLN HA . . A . 12 GLN HB3 . . . 12 GLN HA . . . . . 12 GLN HB3 . . rr_1j5j 1
121 1 . . 1 1 12 12 GLN HG2 H . . . 1 1 12 12 GLN HA H . . . . . . . 3.86 . . . . . A . 12 GLN HA . . A . 12 GLN HG2 . . . 12 GLN HA . . . . . 12 GLN HG2 . . rr_1j5j 1
122 1 . . 1 1 12 12 GLN HG3 H . . . 1 1 12 12 GLN HA H . . . . . . . 3.76 . . . . . A . 12 GLN HA . . A . 12 GLN HG3 . . . 12 GLN HA . . . . . 12 GLN HG3 . . rr_1j5j 1
123 1 OR . 1 1 12 12 GLN HA H . . . 1 1 15 15 PRO HG3 H . . . . . . . 6.38 . . . . . A . 12 GLN HA . . A . 15 PRO HG3 . . . 12 GLN HA . . . . . 15 PRO QG . . rr_1j5j 1
123 2 OR . 1 1 12 12 GLN HA H . . . 1 1 15 15 PRO HG2 H . . . . . . . 6.38 . . . . . A . 12 GLN HA . . A . 15 PRO HG2 . . . 12 GLN HA . . . . . 15 PRO QG . . rr_1j5j 1
124 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 13 13 CYS H H . . . . . . . 4.42 . . . . . A . 12 GLN HB2 . . A . 13 CYS H . . . 12 GLN HB2 . . . . . 13 CYS HN . . rr_1j5j 1
125 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB2 H . . . . . . . 2.83 . . . . . A . 13 CYS H . . A . 13 CYS HB2 . . . 13 CYS HN . . . . . 13 CYS HB2 . . rr_1j5j 1
126 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB3 H . . . . . . . 3.61 . . . . . A . 13 CYS H . . A . 13 CYS HB3 . . . 13 CYS HN . . . . . 13 CYS HB3 . . rr_1j5j 1
127 1 . . 1 1 13 13 CYS H H . . . 1 1 14 14 PHE H H . . . . . . . 2.86 . . . . . A . 13 CYS H . . A . 14 PHE H . . . 13 CYS HN . . . . . 14 PHE HN . . rr_1j5j 1
128 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 VAL H H . . . . . . . 4.29 . . . . . A . 13 CYS HA . . A . 16 VAL H . . . 13 CYS HA . . . . . 16 VAL HN . . rr_1j5j 1
129 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 VAL HB H . . . . . . . 3.76 . . . . . A . 13 CYS HA . . A . 16 VAL HB . . . 13 CYS HA . . . . . 16 VAL HB . . rr_1j5j 1
130 1 . . 1 1 16 16 VAL MG1 H . . . 1 1 13 13 CYS HA H . . . . . . . 5.63 . . . . . A . 13 CYS HA . . A . 16 VAL MG1 . . . 13 CYS HA . . . . . 16 VAL QG1 . . rr_1j5j 1
131 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 VAL MG2 H . . . . . . . 5.91 . . . . . A . 13 CYS HA . . A . 16 VAL MG2 . . . 13 CYS HA . . . . . 16 VAL QG2 . . rr_1j5j 1
132 1 . . 1 1 13 13 CYS HA H . . . 1 1 17 17 CYS H H . . . . . . . 4.38 . . . . . A . 13 CYS HA . . A . 17 CYS H . . . 13 CYS HA . . . . . 17 CYS HN . . rr_1j5j 1
133 1 . . 1 1 13 13 CYS HB2 H . . . 1 1 14 14 PHE H H . . . . . . . 3.67 . . . . . A . 13 CYS HB2 . . A . 14 PHE H . . . 13 CYS HB2 . . . . . 14 PHE HN . . rr_1j5j 1
134 1 . . 1 1 13 13 CYS HB2 H . . . 1 1 26 26 GLY HA3 H . . . . . . . 4.29 . . . . . A . 13 CYS HB2 . . A . 26 GLY HA3 . . . 13 CYS HB2 . . . . . 26 GLY HA2 . . rr_1j5j 1
135 1 . . 1 1 14 14 PHE H H . . . 1 1 13 13 CYS HB3 H . . . . . . . 4.63 . . . . . A . 13 CYS HB3 . . A . 14 PHE H . . . 13 CYS HB3 . . . . . 14 PHE HN . . rr_1j5j 1
136 1 . . 1 1 16 16 VAL MG1 H . . . 1 1 13 13 CYS HB3 H . . . . . . . 4.64 . . . . . A . 13 CYS HB3 . . A . 16 VAL MG1 . . . 13 CYS HB3 . . . . . 16 VAL QG1 . . rr_1j5j 1
137 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 26 26 GLY HA3 H . . . . . . . 3.92 . . . . . A . 13 CYS HB3 . . A . 26 GLY HA3 . . . 13 CYS HB3 . . . . . 26 GLY HA2 . . rr_1j5j 1
138 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 27 27 ARG H H . . . . . . . 5.50 . . . . . A . 13 CYS HB3 . . A . 27 ARG H . . . 13 CYS HB3 . . . . . 27 ARG HN . . rr_1j5j 1
139 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 28 28 CYS HA H . . . . . . . 5.50 . . . . . A . 13 CYS HB3 . . A . 28 CYS HA . . . 13 CYS HB3 . . . . . 28 CYS HA . . rr_1j5j 1
140 1 . . 1 1 14 14 PHE H H . . . 1 1 14 14 PHE HB2 H . . . . . . . 3.24 . . . . . A . 14 PHE H . . A . 14 PHE HB2 . . . 14 PHE HN . . . . . 14 PHE HB2 . . rr_1j5j 1
141 1 . . 1 1 14 14 PHE H H . . . 1 1 14 14 PHE HB3 H . . . . . . . 2.90 . . . . . A . 14 PHE H . . A . 14 PHE HB3 . . . 14 PHE HN . . . . . 14 PHE HB3 . . rr_1j5j 1
142 1 OR . 1 1 14 14 PHE H H . . . 1 1 15 15 PRO HG3 H . . . . . . . 6.38 . . . . . A . 14 PHE H . . A . 15 PRO HG3 . . . 14 PHE HN . . . . . 15 PRO QG . . rr_1j5j 1
142 2 OR . 1 1 14 14 PHE H H . . . 1 1 15 15 PRO HG2 H . . . . . . . 6.38 . . . . . A . 14 PHE H . . A . 15 PRO HG2 . . . 14 PHE HN . . . . . 15 PRO QG . . rr_1j5j 1
143 1 OR . 1 1 14 14 PHE H H . . . 1 1 15 15 PRO HD2 H . . . . . . . 4.98 . . . . . A . 14 PHE H . . A . 15 PRO HD2 . . . 14 PHE HN . . . . . 15 PRO QD . . rr_1j5j 1
143 2 OR . 1 1 14 14 PHE H H . . . 1 1 15 15 PRO HD3 H . . . . . . . 4.98 . . . . . A . 14 PHE H . . A . 15 PRO HD3 . . . 14 PHE HN . . . . . 15 PRO QD . . rr_1j5j 1
144 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 14 14 PHE HA H . . . . . . . 2.83 . . . . . A . 14 PHE HA . . A . 14 PHE HB2 . . . 14 PHE HA . . . . . 14 PHE HB2 . . rr_1j5j 1
145 1 . . 1 1 14 14 PHE HB3 H . . . 1 1 14 14 PHE HA H . . . . . . . 2.99 . . . . . A . 14 PHE HA . . A . 14 PHE HB3 . . . 14 PHE HA . . . . . 14 PHE HB3 . . rr_1j5j 1
146 1 . . 1 1 17 17 CYS H H . . . 1 1 14 14 PHE HA H . . . . . . . 4.42 . . . . . A . 14 PHE HA . . A . 17 CYS H . . . 14 PHE HA . . . . . 17 CYS HN . . rr_1j5j 1
147 1 . . 1 1 14 14 PHE HA H . . . 1 1 17 17 CYS HB2 H . . . . . . . 3.92 . . . . . A . 14 PHE HA . . A . 17 CYS HB2 . . . 14 PHE HA . . . . . 17 CYS HB2 . . rr_1j5j 1
148 1 . . 1 1 14 14 PHE HA H . . . 1 1 18 18 LYS H H . . . . . . . 5.07 . . . . . A . 14 PHE HA . . A . 18 LYS H . . . 14 PHE HA . . . . . 18 LYS HN . . rr_1j5j 1
149 1 . . 1 1 14 14 PHE HA H . . . 1 1 26 26 GLY H H . . . . . . . 4.82 . . . . . A . 14 PHE HA . . A . 26 GLY H . . . 14 PHE HA . . . . . 26 GLY HN . . rr_1j5j 1
150 1 OR . 1 1 14 14 PHE HB2 H . . . 1 1 15 15 PRO HD2 H . . . . . . . 4.52 . . . . . A . 14 PHE HB2 . . A . 15 PRO HD2 . . . 14 PHE HB2 . . . . . 15 PRO QD . . rr_1j5j 1
150 2 OR . 1 1 14 14 PHE HB2 H . . . 1 1 15 15 PRO HD3 H . . . . . . . 4.52 . . . . . A . 14 PHE HB2 . . A . 15 PRO HD3 . . . 14 PHE HB2 . . . . . 15 PRO QD . . rr_1j5j 1
151 1 OR . 1 1 14 14 PHE HB3 H . . . 1 1 15 15 PRO HD2 H . . . . . . . 4.21 . . . . . A . 14 PHE HB3 . . A . 15 PRO HD2 . . . 14 PHE HB3 . . . . . 15 PRO QD . . rr_1j5j 1
151 2 OR . 1 1 14 14 PHE HB3 H . . . 1 1 15 15 PRO HD3 H . . . . . . . 4.21 . . . . . A . 14 PHE HB3 . . A . 15 PRO HD3 . . . 14 PHE HB3 . . . . . 15 PRO QD . . rr_1j5j 1
152 1 . . 1 1 18 18 LYS H H . . . 1 1 15 15 PRO HA H . . . . . . . 3.86 . . . . . A . 15 PRO HA . . A . 18 LYS H . . . 15 PRO HA . . . . . 18 LYS HN . . rr_1j5j 1
153 1 OR . 1 1 15 15 PRO HA H . . . 1 1 18 18 LYS HB2 H . . . . . . . 4.83 . . . . . A . 15 PRO HA . . A . 18 LYS HB2 . . . 15 PRO HA . . . . . 18 LYS QB . . rr_1j5j 1
153 2 OR . 1 1 15 15 PRO HA H . . . 1 1 18 18 LYS HB3 H . . . . . . . 4.83 . . . . . A . 15 PRO HA . . A . 18 LYS HB3 . . . 15 PRO HA . . . . . 18 LYS QB . . rr_1j5j 1
154 1 . . 1 1 16 16 VAL H H . . . 1 1 15 15 PRO HB2 H . . . . . . . 3.39 . . . . . A . 15 PRO HB2 . . A . 16 VAL H . . . 15 PRO HB2 . . . . . 16 VAL HN . . rr_1j5j 1
155 1 . . 1 1 15 15 PRO HB2 H . . . 1 1 16 16 VAL HA H . . . . . . . 4.63 . . . . . A . 15 PRO HB2 . . A . 16 VAL HA . . . 15 PRO HB2 . . . . . 16 VAL HA . . rr_1j5j 1
156 1 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 PRO HG3 H . . . . . . . 5.45 . . . . . A . 15 PRO HG3 . . A . 16 VAL H . . . 15 PRO QG . . . . . 16 VAL HN . . rr_1j5j 1
156 2 OR . 1 1 15 15 PRO HG2 H . . . 1 1 16 16 VAL H H . . . . . . . 5.45 . . . . . A . 15 PRO HG2 . . A . 16 VAL H . . . 15 PRO QG . . . . . 16 VAL HN . . rr_1j5j 1
157 1 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 PRO HD2 H . . . . . . . 5.11 . . . . . A . 15 PRO HD2 . . A . 16 VAL H . . . 15 PRO QD . . . . . 16 VAL HN . . rr_1j5j 1
157 2 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 PRO HD3 H . . . . . . . 5.11 . . . . . A . 15 PRO HD3 . . A . 16 VAL H . . . 15 PRO QD . . . . . 16 VAL HN . . rr_1j5j 1
158 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . . . 2.96 . . . . . A . 16 VAL H . . A . 16 VAL HB . . . 16 VAL HN . . . . . 16 VAL HB . . rr_1j5j 1
159 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG2 H . . . . . . . 4.76 . . . . . A . 16 VAL H . . A . 16 VAL MG2 . . . 16 VAL HN . . . . . 16 VAL QG2 . . rr_1j5j 1
160 1 . . 1 1 16 16 VAL H H . . . 1 1 17 17 CYS H H . . . . . . . 2.90 . . . . . A . 16 VAL H . . A . 17 CYS H . . . 16 VAL HN . . . . . 17 CYS HN . . rr_1j5j 1
161 1 . . 1 1 17 17 CYS H H . . . 1 1 16 16 VAL HA H . . . . . . . 3.58 . . . . . A . 16 VAL HA . . A . 17 CYS H . . . 16 VAL HA . . . . . 17 CYS HN . . rr_1j5j 1
162 1 . . 1 1 16 16 VAL HA H . . . 1 1 20 20 ARG H H . . . . . . . 4.20 . . . . . A . 16 VAL HA . . A . 20 ARG H . . . 16 VAL HA . . . . . 20 ARG HN . . rr_1j5j 1
163 1 . . 1 1 16 16 VAL HB H . . . 1 1 17 17 CYS H H . . . . . . . 3.21 . . . . . A . 16 VAL HB . . A . 17 CYS H . . . 16 VAL HB . . . . . 17 CYS HN . . rr_1j5j 1
164 1 . . 1 1 16 16 VAL MG1 H . . . 1 1 17 17 CYS H H . . . . . . . 5.26 . . . . . A . 16 VAL MG1 . . A . 17 CYS H . . . 16 VAL QG1 . . . . . 17 CYS HN . . rr_1j5j 1
165 1 . . 1 1 16 16 VAL MG1 H . . . 1 1 17 17 CYS HA H . . . . . . . 5.94 . . . . . A . 16 VAL MG1 . . A . 17 CYS HA . . . 16 VAL QG1 . . . . . 17 CYS HA . . rr_1j5j 1
166 1 . . 1 1 16 16 VAL MG1 H . . . 1 1 17 17 CYS HB2 H . . . . . . . 6.53 . . . . . A . 16 VAL MG1 . . A . 17 CYS HB2 . . . 16 VAL QG1 . . . . . 17 CYS HB2 . . rr_1j5j 1
167 1 OR . 1 1 16 16 VAL MG1 H . . . 1 1 21 21 PHE HE1 H . . . . . . . 6.98 . . . . . A . 16 VAL MG1 . . A . 21 PHE HE1 . . . 16 VAL QG1 . . . . . 21 PHE QE . . rr_1j5j 1
167 2 OR . 1 1 16 16 VAL MG1 H . . . 1 1 21 21 PHE HE2 H . . . . . . . 6.98 . . . . . A . 16 VAL MG1 . . A . 21 PHE HE2 . . . 16 VAL QG1 . . . . . 21 PHE QE . . rr_1j5j 1
168 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB2 H . . . . . . . 2.65 . . . . . A . 17 CYS H . . A . 17 CYS HB2 . . . 17 CYS HN . . . . . 17 CYS HB2 . . rr_1j5j 1
169 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB3 H . . . . . . . 3.52 . . . . . A . 17 CYS H . . A . 17 CYS HB3 . . . 17 CYS HN . . . . . 17 CYS HB3 . . rr_1j5j 1
170 1 . . 1 1 17 17 CYS H H . . . 1 1 18 18 LYS H H . . . . . . . 2.93 . . . . . A . 17 CYS H . . A . 18 LYS H . . . 17 CYS HN . . . . . 18 LYS HN . . rr_1j5j 1
171 1 . . 1 1 17 17 CYS HA H . . . 1 1 17 17 CYS HB3 H . . . . . . . 2.90 . . . . . A . 17 CYS HA . . A . 17 CYS HB3 . . . 17 CYS HA . . . . . 17 CYS HB3 . . rr_1j5j 1
172 1 . . 1 1 20 20 ARG H H . . . 1 1 17 17 CYS HA H . . . . . . . 4.26 . . . . . A . 17 CYS HA . . A . 20 ARG H . . . 17 CYS HA . . . . . 20 ARG HN . . rr_1j5j 1
173 1 . . 1 1 17 17 CYS HA H . . . 1 1 21 21 PHE H H . . . . . . . 3.76 . . . . . A . 17 CYS HA . . A . 21 PHE H . . . 17 CYS HA . . . . . 21 PHE HN . . rr_1j5j 1
174 1 . . 1 1 17 17 CYS HA H . . . 1 1 21 21 PHE HB2 H . . . . . . . 3.45 . . . . . A . 17 CYS HA . . A . 21 PHE HB2 . . . 17 CYS HA . . . . . 21 PHE HB2 . . rr_1j5j 1
175 1 OR . 1 1 17 17 CYS HA H . . . 1 1 21 21 PHE HD1 H . . . . . . . 5.48 . . . . . A . 17 CYS HA . . A . 21 PHE HD1 . . . 17 CYS HA . . . . . 21 PHE QD . . rr_1j5j 1
175 2 OR . 1 1 17 17 CYS HA H . . . 1 1 21 21 PHE HD2 H . . . . . . . 5.48 . . . . . A . 17 CYS HA . . A . 21 PHE HD2 . . . 17 CYS HA . . . . . 21 PHE QD . . rr_1j5j 1
176 1 . . 1 1 17 17 CYS HB2 H . . . 1 1 18 18 LYS H H . . . . . . . 3.08 . . . . . A . 17 CYS HB2 . . A . 18 LYS H . . . 17 CYS HB2 . . . . . 18 LYS HN . . rr_1j5j 1
177 1 . . 1 1 17 17 CYS HB2 H . . . 1 1 23 23 LYS HB2 H . . . . . . . 4.23 . . . . . A . 17 CYS HB2 . . A . 23 LYS HB2 . . . 17 CYS HB2 . . . . . 23 LYS HB2 . . rr_1j5j 1
178 1 . . 1 1 18 18 LYS H H . . . 1 1 17 17 CYS HB3 H . . . . . . . 4.11 . . . . . A . 17 CYS HB3 . . A . 18 LYS H . . . 17 CYS HB3 . . . . . 18 LYS HN . . rr_1j5j 1
179 1 . . 1 1 17 17 CYS HB3 H . . . 1 1 25 25 ASN H H . . . . . . . 5.50 . . . . . A . 17 CYS HB3 . . A . 25 ASN H . . . 17 CYS HB3 . . . . . 25 ASN HN . . rr_1j5j 1
180 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . . . 3.68 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . . . 18 LYS HN . . . . . 18 LYS QB . . rr_1j5j 1
180 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB3 H . . . . . . . 3.68 . . . . . A . 18 LYS H . . A . 18 LYS HB3 . . . 18 LYS HN . . . . . 18 LYS QB . . rr_1j5j 1
181 1 . . 1 1 18 18 LYS H H . . . 1 1 19 19 SER H H . . . . . . . 2.96 . . . . . A . 18 LYS H . . A . 19 SER H . . . 18 LYS HN . . . . . 19 SER HN . . rr_1j5j 1
182 1 . . 1 1 18 18 LYS HA H . . . 1 1 22 22 GLY H H . . . . . . . 3.58 . . . . . A . 18 LYS HA . . A . 22 GLY H . . . 18 LYS HA . . . . . 22 GLY HN . . rr_1j5j 1
183 1 . . 1 1 18 18 LYS HA H . . . 1 1 23 23 LYS H H . . . . . . . 2.80 . . . . . A . 18 LYS HA . . A . 23 LYS H . . . 18 LYS HA . . . . . 23 LYS HN . . rr_1j5j 1
184 1 OR . 1 1 19 19 SER H H . . . 1 1 18 18 LYS HB2 H . . . . . . . 3.99 . . . . . A . 18 LYS HB2 . . A . 19 SER H . . . 18 LYS QB . . . . . 19 SER HN . . rr_1j5j 1
184 2 OR . 1 1 18 18 LYS HB3 H . . . 1 1 19 19 SER H H . . . . . . . 3.99 . . . . . A . 18 LYS HB3 . . A . 19 SER H . . . 18 LYS QB . . . . . 19 SER HN . . rr_1j5j 1
185 1 OR . 1 1 24 24 THR HA H . . . 1 1 18 18 LYS HB2 H . . . . . . . 6.38 . . . . . A . 18 LYS HB2 . . A . 24 THR HA . . . 18 LYS QB . . . . . 24 THR HA . . rr_1j5j 1
185 2 OR . 1 1 18 18 LYS HB3 H . . . 1 1 24 24 THR HA H . . . . . . . 6.38 . . . . . A . 18 LYS HB3 . . A . 24 THR HA . . . 18 LYS QB . . . . . 24 THR HA . . rr_1j5j 1
186 1 . . 1 1 19 19 SER H H . . . 1 1 19 19 SER HA H . . . . . . . 2.90 . . . . . A . 19 SER H . . A . 19 SER HA . . . 19 SER HN . . . . . 19 SER HA . . rr_1j5j 1
187 1 . . 1 1 20 20 ARG H H . . . 1 1 19 19 SER H H . . . . . . . 2.96 . . . . . A . 19 SER H . . A . 20 ARG H . . . 19 SER HN . . . . . 20 ARG HN . . rr_1j5j 1
188 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HB2 H . . . . . . . 3.58 . . . . . A . 20 ARG H . . A . 20 ARG HB2 . . . 20 ARG HN . . . . . 20 ARG HB2 . . rr_1j5j 1
189 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HB3 H . . . . . . . 2.86 . . . . . A . 20 ARG H . . A . 20 ARG HB3 . . . 20 ARG HN . . . . . 20 ARG HB3 . . rr_1j5j 1
190 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HG2 H . . . . . . . 5.28 . . . . . A . 20 ARG H . . A . 20 ARG HG2 . . . 20 ARG HN . . . . . 20 ARG HG2 . . rr_1j5j 1
191 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HG3 H . . . . . . . 5.28 . . . . . A . 20 ARG H . . A . 20 ARG HG3 . . . 20 ARG HN . . . . . 20 ARG HG3 . . rr_1j5j 1
192 1 OR . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HG2 H . . . . . . . 4.76 . . . . . A . 20 ARG H . . A . 20 ARG HG2 . . . 20 ARG HN . . . . . 20 ARG QG . . rr_1j5j 1
192 2 OR . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HG3 H . . . . . . . 4.76 . . . . . A . 20 ARG H . . A . 20 ARG HG3 . . . 20 ARG HN . . . . . 20 ARG QG . . rr_1j5j 1
193 1 . . 1 1 20 20 ARG H H . . . 1 1 21 21 PHE H H . . . . . . . 2.83 . . . . . A . 20 ARG H . . A . 21 PHE H . . . 20 ARG HN . . . . . 21 PHE HN . . rr_1j5j 1
194 1 . . 1 1 20 20 ARG H H . . . 1 1 22 22 GLY H H . . . . . . . 4.29 . . . . . A . 20 ARG H . . A . 22 GLY H . . . 20 ARG HN . . . . . 22 GLY HN . . rr_1j5j 1
195 1 . . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HA H . . . . . . . 3.05 . . . . . A . 20 ARG HA . . A . 20 ARG HB2 . . . 20 ARG HA . . . . . 20 ARG HB2 . . rr_1j5j 1
196 1 OR . 1 1 20 20 ARG HA H . . . 1 1 20 20 ARG HD2 H . . . . . . . 6.38 . . . . . A . 20 ARG HA . . A . 20 ARG HD2 . . . 20 ARG HA . . . . . 20 ARG QD . . rr_1j5j 1
196 2 OR . 1 1 20 20 ARG HA H . . . 1 1 20 20 ARG HD3 H . . . . . . . 6.38 . . . . . A . 20 ARG HA . . A . 20 ARG HD3 . . . 20 ARG HA . . . . . 20 ARG QD . . rr_1j5j 1
197 1 OR . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HG2 H . . . . . . . 2.60 . . . . . A . 20 ARG HB2 . . A . 20 ARG HG2 . . . 20 ARG HB2 . . . . . 20 ARG QG . . rr_1j5j 1
197 2 OR . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HG3 H . . . . . . . 2.60 . . . . . A . 20 ARG HB2 . . A . 20 ARG HG3 . . . 20 ARG HB2 . . . . . 20 ARG QG . . rr_1j5j 1
198 1 . . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HE H . . . . . . . 5.16 . . . . . A . 20 ARG HB2 . . A . 20 ARG HE . . . 20 ARG HB2 . . . . . 20 ARG HE . . rr_1j5j 1
199 1 . . 1 1 21 21 PHE H H . . . 1 1 20 20 ARG HB2 H . . . . . . . 4.11 . . . . . A . 20 ARG HB2 . . A . 21 PHE H . . . 20 ARG HB2 . . . . . 21 PHE HN . . rr_1j5j 1
200 1 OR . 1 1 20 20 ARG HB2 H . . . 1 1 21 21 PHE HD1 H . . . . . . . 6.63 . . . . . A . 20 ARG HB2 . . A . 21 PHE HD1 . . . 20 ARG HB2 . . . . . 21 PHE QD . . rr_1j5j 1
200 2 OR . 1 1 20 20 ARG HB2 H . . . 1 1 21 21 PHE HD2 H . . . . . . . 6.63 . . . . . A . 20 ARG HB2 . . A . 21 PHE HD2 . . . 20 ARG HB2 . . . . . 21 PHE QD . . rr_1j5j 1
201 1 OR . 1 1 20 20 ARG HB2 H . . . 1 1 21 21 PHE HE1 H . . . . . . . 6.47 . . . . . A . 20 ARG HB2 . . A . 21 PHE HE1 . . . 20 ARG HB2 . . . . . 21 PHE QE . . rr_1j5j 1
201 2 OR . 1 1 20 20 ARG HB2 H . . . 1 1 21 21 PHE HE2 H . . . . . . . 6.47 . . . . . A . 20 ARG HB2 . . A . 21 PHE HE2 . . . 20 ARG HB2 . . . . . 21 PHE QE . . rr_1j5j 1
202 1 . . 1 1 20 20 ARG HB3 H . . . 1 1 20 20 ARG HE H . . . . . . . 5.50 . . . . . A . 20 ARG HB3 . . A . 20 ARG HE . . . 20 ARG HB3 . . . . . 20 ARG HE . . rr_1j5j 1
203 1 . . 1 1 21 21 PHE H H . . . 1 1 20 20 ARG HB3 H . . . . . . . 3.48 . . . . . A . 20 ARG HB3 . . A . 21 PHE H . . . 20 ARG HB3 . . . . . 21 PHE HN . . rr_1j5j 1
204 1 OR . 1 1 20 20 ARG HB3 H . . . 1 1 21 21 PHE HD1 H . . . . . . . 6.88 . . . . . A . 20 ARG HB3 . . A . 21 PHE HD1 . . . 20 ARG HB3 . . . . . 21 PHE QD . . rr_1j5j 1
204 2 OR . 1 1 20 20 ARG HB3 H . . . 1 1 21 21 PHE HD2 H . . . . . . . 6.88 . . . . . A . 20 ARG HB3 . . A . 21 PHE HD2 . . . 20 ARG HB3 . . . . . 21 PHE QD . . rr_1j5j 1
205 1 . . 1 1 21 21 PHE H H . . . 1 1 21 21 PHE HB2 H . . . . . . . 2.93 . . . . . A . 21 PHE H . . A . 21 PHE HB2 . . . 21 PHE HN . . . . . 21 PHE HB2 . . rr_1j5j 1
206 1 . . 1 1 21 21 PHE H H . . . 1 1 21 21 PHE HB3 H . . . . . . . 3.52 . . . . . A . 21 PHE H . . A . 21 PHE HB3 . . . 21 PHE HN . . . . . 21 PHE HB3 . . rr_1j5j 1
207 1 . . 1 1 21 21 PHE H H . . . 1 1 22 22 GLY H H . . . . . . . 2.65 . . . . . A . 21 PHE H . . A . 22 GLY H . . . 21 PHE HN . . . . . 22 GLY HN . . rr_1j5j 1
208 1 OR . 1 1 21 21 PHE H H . . . 1 1 22 22 GLY HA2 H . . . . . . . 5.73 . . . . . A . 21 PHE H . . A . 22 GLY HA2 . . . 21 PHE HN . . . . . 22 GLY QA . . rr_1j5j 1
208 2 OR . 1 1 21 21 PHE H H . . . 1 1 22 22 GLY HA3 H . . . . . . . 5.73 . . . . . A . 21 PHE H . . A . 22 GLY HA3 . . . 21 PHE HN . . . . . 22 GLY QA . . rr_1j5j 1
209 1 . . 1 1 21 21 PHE HB3 H . . . 1 1 21 21 PHE HA H . . . . . . . 2.83 . . . . . A . 21 PHE HA . . A . 21 PHE HB3 . . . 21 PHE HA . . . . . 21 PHE HB3 . . rr_1j5j 1
210 1 . . 1 1 21 21 PHE HB2 H . . . 1 1 22 22 GLY H H . . . . . . . 4.32 . . . . . A . 21 PHE HB2 . . A . 22 GLY H . . . 21 PHE HB2 . . . . . 22 GLY HN . . rr_1j5j 1
211 1 . . 1 1 21 21 PHE HB2 H . . . 1 1 23 23 LYS H H . . . . . . . 3.83 . . . . . A . 21 PHE HB2 . . A . 23 LYS H . . . 21 PHE HB2 . . . . . 23 LYS HN . . rr_1j5j 1
212 1 OR . 1 1 21 21 PHE HB2 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 5.42 . . . . . A . 21 PHE HB2 . . A . 23 LYS HG2 . . . 21 PHE HB2 . . . . . 23 LYS QG . . rr_1j5j 1
212 2 OR . 1 1 21 21 PHE HB2 H . . . 1 1 23 23 LYS HG3 H . . . . . . . 5.42 . . . . . A . 21 PHE HB2 . . A . 23 LYS HG3 . . . 21 PHE HB2 . . . . . 23 LYS QG . . rr_1j5j 1
213 1 . . 1 1 23 23 LYS H H . . . 1 1 21 21 PHE HB3 H . . . . . . . 4.69 . . . . . A . 21 PHE HB3 . . A . 23 LYS H . . . 21 PHE HB3 . . . . . 23 LYS HN . . rr_1j5j 1
214 1 OR . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 5.11 . . . . . A . 21 PHE HB3 . . A . 23 LYS HG2 . . . 21 PHE HB3 . . . . . 23 LYS QG . . rr_1j5j 1
214 2 OR . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HG3 H . . . . . . . 5.11 . . . . . A . 21 PHE HB3 . . A . 23 LYS HG3 . . . 21 PHE HB3 . . . . . 23 LYS QG . . rr_1j5j 1
215 1 . . 1 1 22 22 GLY H H . . . 1 1 23 23 LYS H H . . . . . . . 3.05 . . . . . A . 22 GLY H . . A . 23 LYS H . . . 22 GLY HN . . . . . 23 LYS HN . . rr_1j5j 1
216 1 OR . 1 1 23 23 LYS H H . . . 1 1 22 22 GLY HA2 H . . . . . . . 4.11 . . . . . A . 22 GLY HA2 . . A . 23 LYS H . . . 22 GLY QA . . . . . 23 LYS HN . . rr_1j5j 1
216 2 OR . 1 1 23 23 LYS H H . . . 1 1 22 22 GLY HA3 H . . . . . . . 4.11 . . . . . A . 22 GLY HA3 . . A . 23 LYS H . . . 22 GLY QA . . . . . 23 LYS HN . . rr_1j5j 1
217 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS H H . . . . . . . 2.74 . . . . . A . 23 LYS H . . A . 23 LYS HB2 . . . 23 LYS HN . . . . . 23 LYS HB2 . . rr_1j5j 1
218 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.48 . . . . . A . 23 LYS H . . A . 23 LYS HB3 . . . 23 LYS HN . . . . . 23 LYS HB3 . . rr_1j5j 1
219 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG2 H . . . . . . . 5.25 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . . . 23 LYS HN . . . . . 23 LYS HG2 . . rr_1j5j 1
220 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG3 H . . . . . . . 5.25 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . . . 23 LYS HN . . . . . 23 LYS HG3 . . rr_1j5j 1
221 1 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG2 H . . . . . . . 4.44 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . . . 23 LYS HN . . . . . 23 LYS QG . . rr_1j5j 1
221 2 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG3 H . . . . . . . 4.44 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . . . 23 LYS HN . . . . . 23 LYS QG . . rr_1j5j 1
222 1 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HD3 H . . . . . . . 5.82 . . . . . A . 23 LYS HA . . A . 23 LYS HD3 . . . 23 LYS HA . . . . . 23 LYS QD . . rr_1j5j 1
222 2 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HD2 H . . . . . . . 5.82 . . . . . A . 23 LYS HA . . A . 23 LYS HD2 . . . 23 LYS HA . . . . . 23 LYS QD . . rr_1j5j 1
223 1 . . 1 1 23 23 LYS HA H . . . 1 1 24 24 THR H H . . . . . . . 2.74 . . . . . A . 23 LYS HA . . A . 24 THR H . . . 23 LYS HA . . . . . 24 THR HN . . rr_1j5j 1
224 1 OR . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HD3 H . . . . . . . 3.37 . . . . . A . 23 LYS HB2 . . A . 23 LYS HD3 . . . 23 LYS HB2 . . . . . 23 LYS QD . . rr_1j5j 1
224 2 OR . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HD2 H . . . . . . . 3.37 . . . . . A . 23 LYS HB2 . . A . 23 LYS HD2 . . . 23 LYS HB2 . . . . . 23 LYS QD . . rr_1j5j 1
225 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 24 24 THR H H . . . . . . . 4.23 . . . . . A . 23 LYS HB2 . . A . 24 THR H . . . 23 LYS HB2 . . . . . 24 THR HN . . rr_1j5j 1
226 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 23 23 LYS HB2 H . . . . . . . 4.97 . . . . . A . 23 LYS HB2 . . A . 35 CYS HB2 . . . 23 LYS HB2 . . . . . 35 CYS HB2 . . rr_1j5j 1
227 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 35 35 CYS HB3 H . . . . . . . 2.65 . . . . . A . 23 LYS HB2 . . A . 35 CYS HB3 . . . 23 LYS HB2 . . . . . 35 CYS HB3 . . rr_1j5j 1
228 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 24 24 THR H H . . . . . . . 3.17 . . . . . A . 23 LYS HB3 . . A . 24 THR H . . . 23 LYS HB3 . . . . . 24 THR HN . . rr_1j5j 1
229 1 . . 1 1 25 25 ASN H H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.21 . . . . . A . 23 LYS HB3 . . A . 25 ASN H . . . 23 LYS HB3 . . . . . 25 ASN HN . . rr_1j5j 1
230 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 35 35 CYS HB3 H . . . . . . . 3.61 . . . . . A . 23 LYS HB3 . . A . 35 CYS HB3 . . . 23 LYS HB3 . . . . . 35 CYS HB3 . . rr_1j5j 1
231 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 36 36 PHE H H . . . . . . . 4.04 . . . . . A . 23 LYS HB3 . . A . 36 PHE H . . . 23 LYS HB3 . . . . . 36 PHE HN . . rr_1j5j 1
232 1 . . 1 1 36 36 PHE H H . . . 1 1 23 23 LYS HG2 H . . . . . . . 5.50 . . . . . A . 23 LYS HG2 . . A . 36 PHE H . . . 23 LYS HG2 . . . . . 36 PHE HN . . rr_1j5j 1
233 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 36 36 PHE H H . . . . . . . 5.50 . . . . . A . 23 LYS HG3 . . A . 36 PHE H . . . 23 LYS HG3 . . . . . 36 PHE HN . . rr_1j5j 1
234 1 OR . 1 1 24 24 THR H H . . . 1 1 23 23 LYS HG2 H . . . . . . . 6.38 . . . . . A . 23 LYS HG2 . . A . 24 THR H . . . 23 LYS QG . . . . . 24 THR HN . . rr_1j5j 1
234 2 OR . 1 1 23 23 LYS HG3 H . . . 1 1 24 24 THR H H . . . . . . . 6.38 . . . . . A . 23 LYS HG3 . . A . 24 THR H . . . 23 LYS QG . . . . . 24 THR HN . . rr_1j5j 1
235 1 OR . 1 1 35 35 CYS HB3 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 4.40 . . . . . A . 23 LYS HG2 . . A . 35 CYS HB3 . . . 23 LYS QG . . . . . 35 CYS HB3 . . rr_1j5j 1
235 2 OR . 1 1 23 23 LYS HG3 H . . . 1 1 35 35 CYS HB3 H . . . . . . . 4.40 . . . . . A . 23 LYS HG3 . . A . 35 CYS HB3 . . . 23 LYS QG . . . . . 35 CYS HB3 . . rr_1j5j 1
236 1 OR . 1 1 24 24 THR H H . . . 1 1 23 23 LYS HD3 H . . . . . . . 6.38 . . . . . A . 23 LYS HD3 . . A . 24 THR H . . . 23 LYS QD . . . . . 24 THR HN . . rr_1j5j 1
236 2 OR . 1 1 23 23 LYS HD2 H . . . 1 1 24 24 THR H H . . . . . . . 6.38 . . . . . A . 23 LYS HD2 . . A . 24 THR H . . . 23 LYS QD . . . . . 24 THR HN . . rr_1j5j 1
237 1 . . 1 1 24 24 THR H H . . . 1 1 24 24 THR HB H . . . . . . . 3.55 . . . . . A . 24 THR H . . A . 24 THR HB . . . 24 THR HN . . . . . 24 THR HB . . rr_1j5j 1
238 1 . . 1 1 24 24 THR H H . . . 1 1 24 24 THR MG H . . . . . . . 3.99 . . . . . A . 24 THR H . . A . 24 THR MG . . . 24 THR HN . . . . . 24 THR QG2 . . rr_1j5j 1
239 1 . . 1 1 25 25 ASN H H . . . 1 1 24 24 THR H H . . . . . . . 2.80 . . . . . A . 24 THR H . . A . 25 ASN H . . . 24 THR HN . . . . . 25 ASN HN . . rr_1j5j 1
240 1 . . 1 1 24 24 THR HA H . . . 1 1 24 24 THR HB H . . . . . . . 2.90 . . . . . A . 24 THR HA . . A . 24 THR HB . . . 24 THR HA . . . . . 24 THR HB . . rr_1j5j 1
241 1 . . 1 1 25 25 ASN H H . . . 1 1 24 24 THR HA H . . . . . . . 3.65 . . . . . A . 24 THR HA . . A . 25 ASN H . . . 24 THR HA . . . . . 25 ASN HN . . rr_1j5j 1
242 1 . . 1 1 25 25 ASN H H . . . 1 1 24 24 THR HB H . . . . . . . 4.11 . . . . . A . 24 THR HB . . A . 25 ASN H . . . 24 THR HB . . . . . 25 ASN HN . . rr_1j5j 1
243 1 . . 1 1 25 25 ASN H H . . . 1 1 24 24 THR MG H . . . . . . . 6.37 . . . . . A . 24 THR MG . . A . 25 ASN H . . . 24 THR QG2 . . . . . 25 ASN HN . . rr_1j5j 1
244 1 . . 1 1 25 25 ASN H H . . . 1 1 25 25 ASN HB2 H . . . . . . . 3.55 . . . . . A . 25 ASN H . . A . 25 ASN HB2 . . . 25 ASN HN . . . . . 25 ASN HB2 . . rr_1j5j 1
245 1 . . 1 1 25 25 ASN H H . . . 1 1 25 25 ASN HB3 H . . . . . . . 3.08 . . . . . A . 25 ASN H . . A . 25 ASN HB3 . . . 25 ASN HN . . . . . 25 ASN HB3 . . rr_1j5j 1
246 1 . . 1 1 25 25 ASN H H . . . 1 1 25 25 ASN HD21 H . . . . . . . 5.38 . . . . . A . 25 ASN H . . A . 25 ASN HD21 . . . 25 ASN HN . . . . . 25 ASN HD21 . . rr_1j5j 1
247 1 . . 1 1 25 25 ASN H H . . . 1 1 36 36 PHE H H . . . . . . . 3.61 . . . . . A . 25 ASN H . . A . 36 PHE H . . . 25 ASN HN . . . . . 36 PHE HN . . rr_1j5j 1
248 1 . . 1 1 25 25 ASN HB2 H . . . 1 1 25 25 ASN HA H . . . . . . . 2.93 . . . . . A . 25 ASN HA . . A . 25 ASN HB2 . . . 25 ASN HA . . . . . 25 ASN HB2 . . rr_1j5j 1
249 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 ASN HA H . . . . . . . 2.86 . . . . . A . 25 ASN HA . . A . 26 GLY H . . . 25 ASN HA . . . . . 26 GLY HN . . rr_1j5j 1
250 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 ASN HB3 H . . . . . . . 3.58 . . . . . A . 25 ASN HB3 . . A . 26 GLY H . . . 25 ASN HB3 . . . . . 26 GLY HN . . rr_1j5j 1
251 1 . . 1 1 36 36 PHE H H . . . 1 1 25 25 ASN HB3 H . . . . . . . 4.91 . . . . . A . 25 ASN HB3 . . A . 36 PHE H . . . 25 ASN HB3 . . . . . 36 PHE HN . . rr_1j5j 1
252 1 . . 1 1 25 25 ASN HB3 H . . . 1 1 36 36 PHE QD H . . . . . . . 6.63 . . . . . A . 25 ASN HB3 . . A . 36 PHE QD . . . 25 ASN HB3 . . . . . 36 PHE QD . . rr_1j5j 1
253 1 . . 1 1 27 27 ARG H H . . . 1 1 26 26 GLY H H . . . . . . . 4.35 . . . . . A . 26 GLY H . . A . 27 ARG H . . . 26 GLY HN . . . . . 27 ARG HN . . rr_1j5j 1
254 1 . . 1 1 27 27 ARG H H . . . 1 1 26 26 GLY HA2 H . . . . . . . 2.59 . . . . . A . 26 GLY HA2 . . A . 27 ARG H . . . 26 GLY HA1 . . . . . 27 ARG HN . . rr_1j5j 1
255 1 . . 1 1 26 26 GLY HA2 H . . . 1 1 35 35 CYS HA H . . . . . . . 2.90 . . . . . A . 26 GLY HA2 . . A . 35 CYS HA . . . 26 GLY HA1 . . . . . 35 CYS HA . . rr_1j5j 1
256 1 . . 1 1 36 36 PHE H H . . . 1 1 26 26 GLY HA2 H . . . . . . . 3.76 . . . . . A . 26 GLY HA2 . . A . 36 PHE H . . . 26 GLY HA1 . . . . . 36 PHE HN . . rr_1j5j 1
257 1 . . 1 1 26 26 GLY HA3 H . . . 1 1 27 27 ARG H H . . . . . . . 2.96 . . . . . A . 26 GLY HA3 . . A . 27 ARG H . . . 26 GLY HA2 . . . . . 27 ARG HN . . rr_1j5j 1
258 1 . . 1 1 26 26 GLY HA3 H . . . 1 1 35 35 CYS HA H . . . . . . . 3.48 . . . . . A . 26 GLY HA3 . . A . 35 CYS HA . . . 26 GLY HA2 . . . . . 35 CYS HA . . rr_1j5j 1
259 1 . . 1 1 27 27 ARG H H . . . 1 1 33 33 CYS HA H . . . . . . . 4.72 . . . . . A . 27 ARG H . . A . 33 CYS HA . . . 27 ARG HN . . . . . 33 CYS HA . . rr_1j5j 1
260 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP H H . . . . . . . 3.05 . . . . . A . 27 ARG H . . A . 34 ASP H . . . 27 ARG HN . . . . . 34 ASP HN . . rr_1j5j 1
261 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP HB2 H . . . . . . . 5.50 . . . . . A . 27 ARG H . . A . 34 ASP HB2 . . . 27 ARG HN . . . . . 34 ASP HB2 . . rr_1j5j 1
262 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP HB3 H . . . . . . . 4.85 . . . . . A . 27 ARG H . . A . 34 ASP HB3 . . . 27 ARG HN . . . . . 34 ASP HB3 . . rr_1j5j 1
263 1 . . 1 1 27 27 ARG H H . . . 1 1 35 35 CYS HA H . . . . . . . 4.35 . . . . . A . 27 ARG H . . A . 35 CYS HA . . . 27 ARG HN . . . . . 35 CYS HA . . rr_1j5j 1
264 1 OR . 1 1 27 27 ARG H H . . . 1 1 36 36 PHE HE1 H . . . . . . . 7.62 . . . . . A . 27 ARG H . . A . 36 PHE HE1 . . . 27 ARG HN . . . . . 36 PHE QE . . rr_1j5j 1
264 2 OR . 1 1 27 27 ARG H H . . . 1 1 36 36 PHE HE2 H . . . . . . . 7.62 . . . . . A . 27 ARG H . . A . 36 PHE HE2 . . . 27 ARG HN . . . . . 36 PHE QE . . rr_1j5j 1
265 1 OR . 1 1 27 27 ARG HA H . . . 1 1 27 27 ARG HD2 H . . . . . . . 6.38 . . . . . A . 27 ARG HA . . A . 27 ARG HD2 . . . 27 ARG HA . . . . . 27 ARG QD . . rr_1j5j 1
265 2 OR . 1 1 27 27 ARG HA H . . . 1 1 27 27 ARG HD3 H . . . . . . . 6.38 . . . . . A . 27 ARG HA . . A . 27 ARG HD3 . . . 27 ARG HA . . . . . 27 ARG QD . . rr_1j5j 1
266 1 . . 1 1 27 27 ARG HA H . . . 1 1 28 28 CYS H H . . . . . . . 2.52 . . . . . A . 27 ARG HA . . A . 28 CYS H . . . 27 ARG HA . . . . . 28 CYS HN . . rr_1j5j 1
267 1 OR . 1 1 29 29 VAL MG2 H . . . 1 1 27 27 ARG HB2 H . . . . . . . 6.26 . . . . . A . 27 ARG HB2 . . A . 29 VAL MG2 . . . 27 ARG QB . . . . . 29 VAL QG2 . . rr_1j5j 1
267 2 OR . 1 1 27 27 ARG HB3 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.26 . . . . . A . 27 ARG HB3 . . A . 29 VAL MG2 . . . 27 ARG QB . . . . . 29 VAL QG2 . . rr_1j5j 1
268 1 OR . 1 1 27 27 ARG HB3 H . . . 1 1 36 36 PHE HE1 H . . . . . . . 7.88 . . . . . A . 27 ARG HB3 . . A . 36 PHE HE1 . . . 27 ARG QB . . . . . 36 PHE QE . . rr_1j5j 1
268 2 OR . 1 1 27 27 ARG HB3 H . . . 1 1 36 36 PHE HE2 H . . . . . . . 7.88 . . . . . A . 27 ARG HB3 . . A . 36 PHE HE2 . . . 27 ARG QB . . . . . 36 PHE QE . . rr_1j5j 1
268 3 OR . 1 1 36 36 PHE HE2 H . . . 1 1 27 27 ARG HB2 H . . . . . . . 7.88 . . . . . A . 27 ARG HB2 . . A . 36 PHE HE2 . . . 27 ARG QB . . . . . 36 PHE QE . . rr_1j5j 1
268 4 OR . 1 1 36 36 PHE HE1 H . . . 1 1 27 27 ARG HB2 H . . . . . . . 7.88 . . . . . A . 27 ARG HB2 . . A . 36 PHE HE1 . . . 27 ARG QB . . . . . 36 PHE QE . . rr_1j5j 1
269 1 . . 1 1 28 28 CYS HB2 H . . . 1 1 28 28 CYS H H . . . . . . . 3.05 . . . . . A . 28 CYS H . . A . 28 CYS HB2 . . . 28 CYS HN . . . . . 28 CYS HB2 . . rr_1j5j 1
270 1 . . 1 1 28 28 CYS HB3 H . . . 1 1 28 28 CYS H H . . . . . . . 2.90 . . . . . A . 28 CYS H . . A . 28 CYS HB3 . . . 28 CYS HN . . . . . 28 CYS HB3 . . rr_1j5j 1
271 1 . . 1 1 28 28 CYS H H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.53 . . . . . A . 28 CYS H . . A . 29 VAL MG2 . . . 28 CYS HN . . . . . 29 VAL QG2 . . rr_1j5j 1
272 1 . . 1 1 28 28 CYS HB2 H . . . 1 1 28 28 CYS HA H . . . . . . . 2.96 . . . . . A . 28 CYS HA . . A . 28 CYS HB2 . . . 28 CYS HA . . . . . 28 CYS HB2 . . rr_1j5j 1
273 1 . . 1 1 28 28 CYS HA H . . . 1 1 29 29 VAL H H . . . . . . . 2.43 . . . . . A . 28 CYS HA . . A . 29 VAL H . . . 28 CYS HA . . . . . 29 VAL HN . . rr_1j5j 1
274 1 . . 1 1 28 28 CYS HA H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.53 . . . . . A . 28 CYS HA . . A . 29 VAL MG2 . . . 28 CYS HA . . . . . 29 VAL QG2 . . rr_1j5j 1
275 1 . . 1 1 28 28 CYS HA H . . . 1 1 34 34 ASP H H . . . . . . . 3.70 . . . . . A . 28 CYS HA . . A . 34 ASP H . . . 28 CYS HA . . . . . 34 ASP HN . . rr_1j5j 1
276 1 . . 1 1 29 29 VAL H H . . . 1 1 29 29 VAL HB H . . . . . . . 3.02 . . . . . A . 29 VAL H . . A . 29 VAL HB . . . 29 VAL HN . . . . . 29 VAL HB . . rr_1j5j 1
277 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 29 29 VAL H H . . . . . . . 4.88 . . . . . A . 29 VAL H . . A . 29 VAL MG2 . . . 29 VAL HN . . . . . 29 VAL QG2 . . rr_1j5j 1
278 1 . . 1 1 29 29 VAL H H . . . 1 1 32 32 PHE H H . . . . . . . 3.30 . . . . . A . 29 VAL H . . A . 32 PHE H . . . 29 VAL HN . . . . . 32 PHE HN . . rr_1j5j 1
279 1 . . 1 1 33 33 CYS HA H . . . 1 1 29 29 VAL H H . . . . . . . 3.61 . . . . . A . 29 VAL H . . A . 33 CYS HA . . . 29 VAL HN . . . . . 33 CYS HA . . rr_1j5j 1
280 1 . . 1 1 29 29 VAL HA H . . . 1 1 30 30 ASN H H . . . . . . . 2.40 . . . . . A . 29 VAL HA . . A . 30 ASN H . . . 29 VAL HA . . . . . 30 ASN HN . . rr_1j5j 1
281 1 . . 1 1 29 29 VAL HA H . . . 1 1 31 31 GLY H H . . . . . . . 5.00 . . . . . A . 29 VAL HA . . A . 31 GLY H . . . 29 VAL HA . . . . . 31 GLY HN . . rr_1j5j 1
282 1 . . 1 1 34 34 ASP HB2 H . . . 1 1 29 29 VAL HB H . . . . . . . 4.42 . . . . . A . 29 VAL HB . . A . 34 ASP HB2 . . . 29 VAL HB . . . . . 34 ASP HB2 . . rr_1j5j 1
283 1 . . 1 1 30 30 ASN H H . . . 1 1 29 29 VAL MG1 H . . . . . . . 4.88 . . . . . A . 29 VAL MG1 . . A . 30 ASN H . . . 29 VAL QG1 . . . . . 30 ASN HN . . rr_1j5j 1
284 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HB2 H . . . . . . . 4.82 . . . . . A . 29 VAL MG1 . . A . 30 ASN HB2 . . . 29 VAL QG1 . . . . . 30 ASN HB2 . . rr_1j5j 1
285 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HD21 H . . . . . . . 6.53 . . . . . A . 29 VAL MG1 . . A . 30 ASN HD21 . . . 29 VAL QG1 . . . . . 30 ASN HD21 . . rr_1j5j 1
286 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HD22 H . . . . . . . 6.53 . . . . . A . 29 VAL MG1 . . A . 30 ASN HD22 . . . 29 VAL QG1 . . . . . 30 ASN HD22 . . rr_1j5j 1
287 1 . . 1 1 34 34 ASP HB2 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 6.12 . . . . . A . 29 VAL MG1 . . A . 34 ASP HB2 . . . 29 VAL QG1 . . . . . 34 ASP HB2 . . rr_1j5j 1
288 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 30 30 ASN H H . . . . . . . 6.53 . . . . . A . 29 VAL MG2 . . A . 30 ASN H . . . 29 VAL QG2 . . . . . 30 ASN HN . . rr_1j5j 1
289 1 . . 1 1 34 34 ASP H H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.34 . . . . . A . 29 VAL MG2 . . A . 34 ASP H . . . 29 VAL QG2 . . . . . 34 ASP HN . . rr_1j5j 1
290 1 . . 1 1 34 34 ASP HB2 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 4.61 . . . . . A . 29 VAL MG2 . . A . 34 ASP HB2 . . . 29 VAL QG2 . . . . . 34 ASP HB2 . . rr_1j5j 1
291 1 . . 1 1 34 34 ASP HB3 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 4.11 . . . . . A . 29 VAL MG2 . . A . 34 ASP HB3 . . . 29 VAL QG2 . . . . . 34 ASP HB3 . . rr_1j5j 1
292 1 . . 1 1 30 30 ASN H H . . . 1 1 30 30 ASN HA H . . . . . . . 2.46 . . . . . A . 30 ASN H . . A . 30 ASN HA . . . 30 ASN HN . . . . . 30 ASN HA . . rr_1j5j 1
293 1 . . 1 1 30 30 ASN H H . . . 1 1 31 31 GLY H H . . . . . . . 3.17 . . . . . A . 30 ASN H . . A . 31 GLY H . . . 30 ASN HN . . . . . 31 GLY HN . . rr_1j5j 1
294 1 . . 1 1 30 30 ASN HA H . . . 1 1 30 30 ASN HB3 H . . . . . . . 2.96 . . . . . A . 30 ASN HA . . A . 30 ASN HB3 . . . 30 ASN HA . . . . . 30 ASN HB3 . . rr_1j5j 1
295 1 . . 1 1 31 31 GLY H H . . . 1 1 30 30 ASN HA H . . . . . . . 2.99 . . . . . A . 30 ASN HA . . A . 31 GLY H . . . 30 ASN HA . . . . . 31 GLY HN . . rr_1j5j 1
296 1 . . 1 1 31 31 GLY HA2 H . . . 1 1 31 31 GLY H H . . . . . . . 2.59 . . . . . A . 31 GLY H . . A . 31 GLY HA2 . . . 31 GLY HN . . . . . 31 GLY HA1 . . rr_1j5j 1
297 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 31 31 GLY H H . . . . . . . 2.86 . . . . . A . 31 GLY H . . A . 31 GLY HA3 . . . 31 GLY HN . . . . . 31 GLY HA2 . . rr_1j5j 1
298 1 . . 1 1 32 32 PHE H H . . . 1 1 31 31 GLY H H . . . . . . . 2.96 . . . . . A . 31 GLY H . . A . 32 PHE H . . . 31 GLY HN . . . . . 32 PHE HN . . rr_1j5j 1
299 1 . . 1 1 31 31 GLY HA2 H . . . 1 1 32 32 PHE H H . . . . . . . 3.33 . . . . . A . 31 GLY HA2 . . A . 32 PHE H . . . 31 GLY HA1 . . . . . 32 PHE HN . . rr_1j5j 1
300 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 32 32 PHE H H . . . . . . . 3.45 . . . . . A . 31 GLY HA3 . . A . 32 PHE H . . . 31 GLY HA2 . . . . . 32 PHE HN . . rr_1j5j 1
301 1 . . 1 1 32 32 PHE H H . . . 1 1 32 32 PHE HB2 H . . . . . . . 2.93 . . . . . A . 32 PHE H . . A . 32 PHE HB2 . . . 32 PHE HN . . . . . 32 PHE HB2 . . rr_1j5j 1
302 1 . . 1 1 32 32 PHE H H . . . 1 1 32 32 PHE HB3 H . . . . . . . 3.76 . . . . . A . 32 PHE H . . A . 32 PHE HB3 . . . 32 PHE HN . . . . . 32 PHE HB3 . . rr_1j5j 1
303 1 . . 1 1 33 33 CYS H H . . . 1 1 32 32 PHE H H . . . . . . . 4.45 . . . . . A . 32 PHE H . . A . 33 CYS H . . . 32 PHE HN . . . . . 33 CYS HN . . rr_1j5j 1
304 1 . . 1 1 32 32 PHE HA H . . . 1 1 32 32 PHE HB3 H . . . . . . . 2.83 . . . . . A . 32 PHE HA . . A . 32 PHE HB3 . . . 32 PHE HA . . . . . 32 PHE HB3 . . rr_1j5j 1
305 1 . . 1 1 33 33 CYS H H . . . 1 1 32 32 PHE HA H . . . . . . . 2.49 . . . . . A . 32 PHE HA . . A . 33 CYS H . . . 32 PHE HA . . . . . 33 CYS HN . . rr_1j5j 1
306 1 . . 1 1 33 33 CYS H H . . . 1 1 32 32 PHE HB2 H . . . . . . . 4.11 . . . . . A . 32 PHE HB2 . . A . 33 CYS H . . . 32 PHE HB2 . . . . . 33 CYS HN . . rr_1j5j 1
307 1 . . 1 1 33 33 CYS H H . . . 1 1 32 32 PHE HB3 H . . . . . . . 3.05 . . . . . A . 32 PHE HB3 . . A . 33 CYS H . . . 32 PHE HB3 . . . . . 33 CYS HN . . rr_1j5j 1
308 1 . . 1 1 33 33 CYS H H . . . 1 1 33 33 CYS HB2 H . . . . . . . 2.68 . . . . . A . 33 CYS H . . A . 33 CYS HB2 . . . 33 CYS HN . . . . . 33 CYS HB2 . . rr_1j5j 1
309 1 . . 1 1 33 33 CYS H H . . . 1 1 33 33 CYS HB3 H . . . . . . . 3.48 . . . . . A . 33 CYS H . . A . 33 CYS HB3 . . . 33 CYS HN . . . . . 33 CYS HB3 . . rr_1j5j 1
310 1 . . 1 1 33 33 CYS HB3 H . . . 1 1 33 33 CYS HA H . . . . . . . 2.86 . . . . . A . 33 CYS HA . . A . 33 CYS HB3 . . . 33 CYS HA . . . . . 33 CYS HB3 . . rr_1j5j 1
311 1 . . 1 1 33 33 CYS HA H . . . 1 1 34 34 ASP H H . . . . . . . 2.40 . . . . . A . 33 CYS HA . . A . 34 ASP H . . . 33 CYS HA . . . . . 34 ASP HN . . rr_1j5j 1
312 1 . . 1 1 33 33 CYS HB2 H . . . 1 1 34 34 ASP H H . . . . . . . 4.69 . . . . . A . 33 CYS HB2 . . A . 34 ASP H . . . 33 CYS HB2 . . . . . 34 ASP HN . . rr_1j5j 1
313 1 . . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB2 H . . . . . . . 3.03 . . . . . A . 34 ASP H . . A . 34 ASP HB2 . . . 34 ASP HN . . . . . 34 ASP HB2 . . rr_1j5j 1
314 1 . . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB3 H . . . . . . . 2.96 . . . . . A . 34 ASP H . . A . 34 ASP HB3 . . . 34 ASP HN . . . . . 34 ASP HB3 . . rr_1j5j 1
315 1 . . 1 1 34 34 ASP HA H . . . 1 1 34 34 ASP HB2 H . . . . . . . 3.02 . . . . . A . 34 ASP HA . . A . 34 ASP HB2 . . . 34 ASP HA . . . . . 34 ASP HB2 . . rr_1j5j 1
316 1 . . 1 1 34 34 ASP HA H . . . 1 1 35 35 CYS H H . . . . . . . 2.43 . . . . . A . 34 ASP HA . . A . 35 CYS H . . . 34 ASP HA . . . . . 35 CYS HN . . rr_1j5j 1
317 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HB2 H . . . . . . . 2.90 . . . . . A . 35 CYS H . . A . 35 CYS HB2 . . . 35 CYS HN . . . . . 35 CYS HB2 . . rr_1j5j 1
318 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HB3 H . . . . . . . 3.64 . . . . . A . 35 CYS H . . A . 35 CYS HB3 . . . 35 CYS HN . . . . . 35 CYS HB3 . . rr_1j5j 1
319 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 35 35 CYS HA H . . . . . . . 2.74 . . . . . A . 35 CYS HA . . A . 35 CYS HB3 . . . 35 CYS HA . . . . . 35 CYS HB3 . . rr_1j5j 1
320 1 . . 1 1 36 36 PHE H H . . . 1 1 35 35 CYS HA H . . . . . . . 2.52 . . . . . A . 35 CYS HA . . A . 36 PHE H . . . 35 CYS HA . . . . . 36 PHE HN . . rr_1j5j 1
321 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 36 36 PHE H H . . . . . . . 4.38 . . . . . A . 35 CYS HB2 . . A . 36 PHE H . . . 35 CYS HB2 . . . . . 36 PHE HN . . rr_1j5j 1
322 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 36 36 PHE H H . . . . . . . 3.36 . . . . . A . 35 CYS HB3 . . A . 36 PHE H . . . 35 CYS HB3 . . . . . 36 PHE HN . . rr_1j5j 1
323 1 . . 1 1 36 36 PHE H H . . . 1 1 36 36 PHE HB2 H . . . . . . . 4.07 . . . . . A . 36 PHE H . . A . 36 PHE HB2 . . . 36 PHE HN . . . . . 36 PHE HB2 . . rr_1j5j 1
324 1 . . 1 1 36 36 PHE H H . . . 1 1 36 36 PHE HB3 H . . . . . . . 3.73 . . . . . A . 36 PHE H . . A . 36 PHE HB3 . . . 36 PHE HN . . . . . 36 PHE HB3 . . rr_1j5j 1
325 1 . . 1 1 36 36 PHE HB2 H . . . 1 1 36 36 PHE HA H . . . . . . . 2.74 . . . . . A . 36 PHE HA . . A . 36 PHE HB2 . . . 36 PHE HA . . . . . 36 PHE HB2 . . rr_1j5j 1
326 1 . . 1 1 36 36 PHE HB3 H . . . 1 1 36 36 PHE HA H . . . . . . . 2.59 . . . . . A . 36 PHE HA . . A . 36 PHE HB3 . . . 36 PHE HA . . . . . 36 PHE HB3 . . rr_1j5j 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 "NMR CONSTRAINTS FOR BeKm STRUCTURE CALCULATION" 1 1 1 48 rr_1j5j 1
2 "DISTANCE CONSTRAINTS (A)" 2 1 2 26 rr_1j5j 1
3 NOE 3 1 3 5 rr_1j5j 1
4 "326 upper NOE constraints:" 4 1 4 28 rr_1j5j 1
5 "102 intra, 104 short, 56 medium, 64 long" 5 1 5 42 rr_1j5j 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_Gen_dist_constraint_list.ID 2
_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 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_1j5j 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 2 2 PRO HA H . . . 1 1 34 34 ASP HB2 H . . . . . . 3.0 . . . . . . A . 2 PRO HA . . A . 34 ASP HB2 . . . 2 PRO HA . . . . . 34 ASP HB2 . . rr_1j5j 2
2 1 . . 1 1 2 2 PRO HB2 H . . . 1 1 32 32 PHE HB2 H . . . . . . 3.0 . . . . . . A . 2 PRO HB2 . . A . 32 PHE HB2 . . . 2 PRO HB2 . . . . . 32 PHE HB2 . . rr_1j5j 2
3 1 . . 1 1 2 2 PRO HB3 H . . . 1 1 32 32 PHE HB2 H . . . . . . 3.0 . . . . . . A . 2 PRO HB3 . . A . 32 PHE HB2 . . . 2 PRO HB3 . . . . . 32 PHE HB2 . . rr_1j5j 2
4 1 . . 1 1 3 3 THR H H . . . 1 1 32 32 PHE HB3 H . . . . . . 3.0 . . . . . . A . 3 THR H . . A . 32 PHE HB3 . . . 3 THR HN . . . . . 32 PHE HB3 . . rr_1j5j 2
5 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HE2 H . . . . . . 3.0 . . . . . . A . 3 THR MG . . A . 21 PHE HE2 . . . 3 THR HG21 . . . . . 21 PHE HE2 . . rr_1j5j 2
6 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HE1 H . . . . . . 3.0 . . . . . . A . 3 THR MG . . A . 21 PHE HE1 . . . 3 THR HG22 . . . . . 21 PHE HE1 . . rr_1j5j 2
7 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HE2 H . . . . . . 3.0 . . . . . . A . 3 THR MG . . A . 21 PHE HE2 . . . 3 THR HG22 . . . . . 21 PHE HE2 . . rr_1j5j 2
8 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HE1 H . . . . . . 3.0 . . . . . . A . 3 THR MG . . A . 21 PHE HE1 . . . 3 THR HG23 . . . . . 21 PHE HE1 . . rr_1j5j 2
9 1 . . 1 1 3 3 THR MG H . . . 1 1 21 21 PHE HE2 H . . . . . . 3.0 . . . . . . A . 3 THR MG . . A . 21 PHE HE2 . . . 3 THR HG23 . . . . . 21 PHE HE2 . . rr_1j5j 2
10 1 . . 1 1 4 4 ASP H H . . . 1 1 5 5 ILE HG13 H . . . . . . 3.0 . . . . . . A . 4 ASP H . . A . 5 ILE HG13 . . . 4 ASP HN . . . . . 5 ILE HG13 . . rr_1j5j 2
11 1 . . 1 1 5 5 ILE MD H . . . 1 1 20 20 ARG HE H . . . . . . 3.0 . . . . . . A . 5 ILE MD . . A . 20 ARG HE . . . 5 ILE HD11 . . . . . 20 ARG HE . . rr_1j5j 2
12 1 . . 1 1 5 5 ILE MD H . . . 1 1 20 20 ARG HE H . . . . . . 3.0 . . . . . . A . 5 ILE MD . . A . 20 ARG HE . . . 5 ILE HD12 . . . . . 20 ARG HE . . rr_1j5j 2
13 1 . . 1 1 5 5 ILE MD H . . . 1 1 20 20 ARG HE H . . . . . . 3.0 . . . . . . A . 5 ILE MD . . A . 20 ARG HE . . . 5 ILE HD13 . . . . . 20 ARG HE . . rr_1j5j 2
14 1 . . 1 1 6 6 LYS HB2 H . . . 1 1 32 32 PHE HE1 H . . . . . . 3.0 . . . . . . A . 6 LYS HB2 . . A . 32 PHE HE1 . . . 6 LYS HB2 . . . . . 32 PHE HE1 . . rr_1j5j 2
15 1 . . 1 1 6 6 LYS HB2 H . . . 1 1 32 32 PHE HE2 H . . . . . . 3.0 . . . . . . A . 6 LYS HB2 . . A . 32 PHE HE2 . . . 6 LYS HB2 . . . . . 32 PHE HE2 . . rr_1j5j 2
16 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 LYS HD2 H . . . . . . 3.0 . . . . . . A . 6 LYS HD2 . . A . 7 CYS H . . . 6 LYS HD2 . . . . . 7 CYS HN . . rr_1j5j 2
17 1 . . 1 1 7 7 CYS HA H . . . 1 1 6 6 LYS HD2 H . . . . . . 3.0 . . . . . . A . 6 LYS HD2 . . A . 7 CYS HA . . . 6 LYS HD2 . . . . . 7 CYS HA . . rr_1j5j 2
18 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 LYS HD3 H . . . . . . 3.0 . . . . . . A . 6 LYS HD3 . . A . 7 CYS H . . . 6 LYS HD3 . . . . . 7 CYS HN . . rr_1j5j 2
19 1 . . 1 1 7 7 CYS HA H . . . 1 1 6 6 LYS HD3 H . . . . . . 3.0 . . . . . . A . 6 LYS HD3 . . A . 7 CYS HA . . . 6 LYS HD3 . . . . . 7 CYS HA . . rr_1j5j 2
20 1 . . 1 1 9 9 GLU H H . . . 1 1 11 11 TYR HE1 H . . . . . . 3.0 . . . . . . A . 9 GLU H . . A . 11 TYR HE1 . . . 9 GLU HN . . . . . 11 TYR HE1 . . rr_1j5j 2
21 1 . . 1 1 9 9 GLU H H . . . 1 1 11 11 TYR HE2 H . . . . . . 3.0 . . . . . . A . 9 GLU H . . A . 11 TYR HE2 . . . 9 GLU HN . . . . . 11 TYR HE2 . . rr_1j5j 2
22 1 . . 1 1 9 9 GLU HB3 H . . . 1 1 11 11 TYR HB3 H . . . . . . 3.0 . . . . . . A . 9 GLU HB3 . . A . 11 TYR HB3 . . . 9 GLU HB3 . . . . . 11 TYR HB3 . . rr_1j5j 2
23 1 . . 1 1 12 12 GLN HA H . . . 1 1 15 15 PRO HG2 H . . . . . . 3.0 . . . . . . A . 12 GLN HA . . A . 15 PRO HG2 . . . 12 GLN HA . . . . . 15 PRO HG2 . . rr_1j5j 2
24 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 33 33 CYS HA H . . . . . . 3.0 . . . . . . A . 13 CYS HB3 . . A . 33 CYS HA . . . 13 CYS HB3 . . . . . 33 CYS HA . . rr_1j5j 2
25 1 . . 1 1 33 33 CYS HB2 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB2 . . . 16 VAL HG11 . . . . . 33 CYS HB2 . . rr_1j5j 2
26 1 . . 1 1 33 33 CYS HB3 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB3 . . . 16 VAL HG11 . . . . . 33 CYS HB3 . . rr_1j5j 2
27 1 . . 1 1 33 33 CYS HB2 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB2 . . . 16 VAL HG12 . . . . . 33 CYS HB2 . . rr_1j5j 2
28 1 . . 1 1 33 33 CYS HB3 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB3 . . . 16 VAL HG12 . . . . . 33 CYS HB3 . . rr_1j5j 2
29 1 . . 1 1 33 33 CYS HB2 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB2 . . . 16 VAL HG13 . . . . . 33 CYS HB2 . . rr_1j5j 2
30 1 . . 1 1 33 33 CYS HB3 H . . . 1 1 16 16 VAL MG1 H . . . . . . 3.0 . . . . . . A . 16 VAL MG1 . . A . 33 CYS HB3 . . . 16 VAL HG13 . . . . . 33 CYS HB3 . . rr_1j5j 2
31 1 . . 1 1 20 20 ARG H H . . . 1 1 22 22 GLY H H . . . . . . 3.0 . . . . . . A . 20 ARG H . . A . 22 GLY H . . . 20 ARG HN . . . . . 22 GLY HN . . rr_1j5j 2
32 1 . . 1 1 21 21 PHE HD1 H . . . 1 1 20 20 ARG HG2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG2 . . A . 21 PHE HD1 . . . 20 ARG HG2 . . . . . 21 PHE HD1 . . rr_1j5j 2
33 1 . . 1 1 21 21 PHE HE1 H . . . 1 1 20 20 ARG HG2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG2 . . A . 21 PHE HE1 . . . 20 ARG HG2 . . . . . 21 PHE HE1 . . rr_1j5j 2
34 1 . . 1 1 21 21 PHE HE2 H . . . 1 1 20 20 ARG HG2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG2 . . A . 21 PHE HE2 . . . 20 ARG HG2 . . . . . 21 PHE HE2 . . rr_1j5j 2
35 1 . . 1 1 21 21 PHE HD2 H . . . 1 1 20 20 ARG HG2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG2 . . A . 21 PHE HD2 . . . 20 ARG HG2 . . . . . 21 PHE HD2 . . rr_1j5j 2
36 1 . . 1 1 20 20 ARG HG3 H . . . 1 1 21 21 PHE HD1 H . . . . . . 3.0 . . . . . . A . 20 ARG HG3 . . A . 21 PHE HD1 . . . 20 ARG HG3 . . . . . 21 PHE HD1 . . rr_1j5j 2
37 1 . . 1 1 20 20 ARG HG3 H . . . 1 1 21 21 PHE HE1 H . . . . . . 3.0 . . . . . . A . 20 ARG HG3 . . A . 21 PHE HE1 . . . 20 ARG HG3 . . . . . 21 PHE HE1 . . rr_1j5j 2
38 1 . . 1 1 20 20 ARG HG3 H . . . 1 1 21 21 PHE HE2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG3 . . A . 21 PHE HE2 . . . 20 ARG HG3 . . . . . 21 PHE HE2 . . rr_1j5j 2
39 1 . . 1 1 20 20 ARG HG3 H . . . 1 1 21 21 PHE HD2 H . . . . . . 3.0 . . . . . . A . 20 ARG HG3 . . A . 21 PHE HD2 . . . 20 ARG HG3 . . . . . 21 PHE HD2 . . rr_1j5j 2
40 1 . . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HD2 H . . . . . . 3.0 . . . . . . A . 21 PHE HB3 . . A . 23 LYS HD2 . . . 21 PHE HB3 . . . . . 23 LYS HD2 . . rr_1j5j 2
41 1 . . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HD3 H . . . . . . 3.0 . . . . . . A . 21 PHE HB3 . . A . 23 LYS HD3 . . . 21 PHE HB3 . . . . . 23 LYS HD3 . . rr_1j5j 2
42 1 . . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HE2 H . . . . . . 3.0 . . . . . . A . 21 PHE HB3 . . A . 23 LYS HE2 . . . 21 PHE HB3 . . . . . 23 LYS HE2 . . rr_1j5j 2
43 1 . . 1 1 21 21 PHE HB3 H . . . 1 1 23 23 LYS HE3 H . . . . . . 3.0 . . . . . . A . 21 PHE HB3 . . A . 23 LYS HE3 . . . 21 PHE HB3 . . . . . 23 LYS HE3 . . rr_1j5j 2
44 1 . . 1 1 22 22 GLY H H . . . 1 1 23 23 LYS HD2 H . . . . . . 3.0 . . . . . . A . 22 GLY H . . A . 23 LYS HD2 . . . 22 GLY HN . . . . . 23 LYS HD2 . . rr_1j5j 2
45 1 . . 1 1 23 23 LYS HD2 H . . . 1 1 24 24 THR H H . . . . . . 3.0 . . . . . . A . 23 LYS HD2 . . A . 24 THR H . . . 23 LYS HD2 . . . . . 24 THR HN . . rr_1j5j 2
46 1 . . 1 1 24 24 THR H H . . . 1 1 23 23 LYS HD3 H . . . . . . 3.0 . . . . . . A . 23 LYS HD3 . . A . 24 THR H . . . 23 LYS HD3 . . . . . 24 THR HN . . rr_1j5j 2
47 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 23 23 LYS HD3 H . . . . . . 3.0 . . . . . . A . 23 LYS HD3 . . A . 35 CYS HB2 . . . 23 LYS HD3 . . . . . 35 CYS HB2 . . rr_1j5j 2
48 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 23 23 LYS HE2 H . . . . . . 3.0 . . . . . . A . 23 LYS HE2 . . A . 35 CYS HB2 . . . 23 LYS HE2 . . . . . 35 CYS HB2 . . rr_1j5j 2
49 1 . . 1 1 36 36 PHE HA H . . . 1 1 23 23 LYS HE3 H . . . . . . 3.0 . . . . . . A . 23 LYS HE3 . . A . 36 PHE HA . . . 23 LYS HE3 . . . . . 36 PHE HA . . rr_1j5j 2
50 1 . . 1 1 24 24 THR MG H . . . 1 1 25 25 ASN HD21 H . . . . . . 3.0 . . . . . . A . 24 THR MG . . A . 25 ASN HD21 . . . 24 THR HG21 . . . . . 25 ASN HD21 . . rr_1j5j 2
51 1 . . 1 1 24 24 THR MG H . . . 1 1 25 25 ASN HD22 H . . . . . . 3.0 . . . . . . A . 24 THR MG . . A . 25 ASN HD22 . . . 24 THR HG22 . . . . . 25 ASN HD22 . . rr_1j5j 2
52 1 . . 1 1 24 24 THR MG H . . . 1 1 25 25 ASN HD21 H . . . . . . 3.0 . . . . . . A . 24 THR MG . . A . 25 ASN HD21 . . . 24 THR HG22 . . . . . 25 ASN HD21 . . rr_1j5j 2
53 1 . . 1 1 24 24 THR MG H . . . 1 1 25 25 ASN HD22 H . . . . . . 3.0 . . . . . . A . 24 THR MG . . A . 25 ASN HD22 . . . 24 THR HG23 . . . . . 25 ASN HD22 . . rr_1j5j 2
54 1 . . 1 1 24 24 THR MG H . . . 1 1 25 25 ASN HD21 H . . . . . . 3.0 . . . . . . A . 24 THR MG . . A . 25 ASN HD21 . . . 24 THR HG23 . . . . . 25 ASN HD21 . . rr_1j5j 2
55 1 . . 1 1 25 25 ASN HA H . . . 1 1 25 25 ASN HD22 H . . . . . . 3.0 . . . . . . A . 25 ASN HA . . A . 25 ASN HD22 . . . 25 ASN HA . . . . . 25 ASN HD22 . . rr_1j5j 2
56 1 . . 1 1 25 25 ASN HB3 H . . . 1 1 25 25 ASN HD22 H . . . . . . 3.0 . . . . . . A . 25 ASN HB3 . . A . 25 ASN HD22 . . . 25 ASN HB3 . . . . . 25 ASN HD22 . . rr_1j5j 2
57 1 . . 1 1 26 26 GLY HA2 H . . . 1 1 36 36 PHE HE1 H . . . . . . 3.0 . . . . . . A . 26 GLY HA2 . . A . 36 PHE HE1 . . . 26 GLY HA1 . . . . . 36 PHE HE1 . . rr_1j5j 2
58 1 . . 1 1 26 26 GLY HA2 H . . . 1 1 36 36 PHE HE2 H . . . . . . 3.0 . . . . . . A . 26 GLY HA2 . . A . 36 PHE HE2 . . . 26 GLY HA1 . . . . . 36 PHE HE2 . . rr_1j5j 2
59 1 . . 1 1 34 34 ASP HB3 H . . . 1 1 29 29 VAL HB H . . . . . . 3.0 . . . . . . A . 29 VAL HB . . A . 34 ASP HB3 . . . 29 VAL HB . . . . . 34 ASP HB3 . . rr_1j5j 2
60 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HB2 H . . . . . . 3.0 . . . . . . A . 29 VAL MG1 . . A . 30 ASN HB2 . . . 29 VAL HG11 . . . . . 30 ASN HB2 . . rr_1j5j 2
61 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HB2 H . . . . . . 3.0 . . . . . . A . 29 VAL MG1 . . A . 30 ASN HB2 . . . 29 VAL HG12 . . . . . 30 ASN HB2 . . rr_1j5j 2
62 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 ASN HB2 H . . . . . . 3.0 . . . . . . A . 29 VAL MG1 . . A . 30 ASN HB2 . . . 29 VAL HG13 . . . . . 30 ASN HB2 . . rr_1j5j 2
63 1 . . 1 1 30 30 ASN HD22 H . . . 1 1 30 30 ASN HA H . . . . . . 3.0 . . . . . . A . 30 ASN HA . . A . 30 ASN HD22 . . . 30 ASN HA . . . . . 30 ASN HD22 . . rr_1j5j 2
64 1 . . 1 1 30 30 ASN HB2 H . . . 1 1 30 30 ASN HD22 H . . . . . . 3.0 . . . . . . A . 30 ASN HB2 . . A . 30 ASN HD22 . . . 30 ASN HB2 . . . . . 30 ASN HD22 . . rr_1j5j 2
65 1 . . 1 1 30 30 ASN HB3 H . . . 1 1 32 32 PHE HB2 H . . . . . . 3.0 . . . . . . A . 30 ASN HB3 . . A . 32 PHE HB2 . . . 30 ASN HB3 . . . . . 32 PHE HB2 . . rr_1j5j 2
66 1 . . 1 1 30 30 ASN HB3 H . . . 1 1 32 32 PHE HD1 H . . . . . . 3.0 . . . . . . A . 30 ASN HB3 . . A . 32 PHE HD1 . . . 30 ASN HB3 . . . . . 32 PHE HD1 . . rr_1j5j 2
67 1 . . 1 1 30 30 ASN HB3 H . . . 1 1 32 32 PHE HD2 H . . . . . . 3.0 . . . . . . A . 30 ASN HB3 . . A . 32 PHE HD2 . . . 30 ASN HB3 . . . . . 32 PHE HD2 . . rr_1j5j 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 "67 lower NOE constraints" 1 1 1 26 rr_1j5j 2
2 "4 intra, 24 short, 13 medium, 26 long" 2 1 2 39 rr_1j5j 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type "disulfide bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
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_1j5j 3
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 7 7 CYS CB C . . . 1 1 28 28 CYS SG S . . . . . . . 3.1 . . . . . A . 7 CYS CB . . A . 28 CYS SG . . . 7 CYS CB . . . . . 28 CYS SG . . rr_1j5j 3
2 1 . . 1 1 7 7 CYS SG S . . . 1 1 28 28 CYS CB C . . . . . . . 3.1 . . . . . A . 7 CYS SG . . A . 28 CYS CB . . . 7 CYS SG . . . . . 28 CYS CB . . rr_1j5j 3
3 1 . . 1 1 28 28 CYS SG S . . . 1 1 7 7 CYS SG S . . . . . . . 2.1 . . . . . A . 7 CYS SG . . A . 28 CYS SG . . . 7 CYS SG . . . . . 28 CYS SG . . rr_1j5j 3
4 1 . . 1 1 13 13 CYS CB C . . . 1 1 33 33 CYS SG S . . . . . . . 3.1 . . . . . A . 13 CYS CB . . A . 33 CYS SG . . . 13 CYS CB . . . . . 33 CYS SG . . rr_1j5j 3
5 1 . . 1 1 13 13 CYS SG S . . . 1 1 33 33 CYS CB C . . . . . . . 3.1 . . . . . A . 13 CYS SG . . A . 33 CYS CB . . . 13 CYS SG . . . . . 33 CYS CB . . rr_1j5j 3
6 1 . . 1 1 33 33 CYS SG S . . . 1 1 13 13 CYS SG S . . . . . . . 2.1 . . . . . A . 13 CYS SG . . A . 33 CYS SG . . . 13 CYS SG . . . . . 33 CYS SG . . rr_1j5j 3
7 1 . . 1 1 17 17 CYS CB C . . . 1 1 35 35 CYS SG S . . . . . . . 3.1 . . . . . A . 17 CYS CB . . A . 35 CYS SG . . . 17 CYS CB . . . . . 35 CYS SG . . rr_1j5j 3
8 1 . . 1 1 17 17 CYS SG S . . . 1 1 35 35 CYS CB C . . . . . . . 3.1 . . . . . A . 17 CYS SG . . A . 35 CYS CB . . . 17 CYS SG . . . . . 35 CYS CB . . rr_1j5j 3
9 1 . . 1 1 35 35 CYS SG S . . . 1 1 17 17 CYS SG S . . . . . . . 2.1 . . . . . A . 17 CYS SG . . A . 35 CYS SG . . . 17 CYS SG . . . . . 35 CYS SG . . rr_1j5j 3
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 SS-BONDS 2 1 2 10 rr_1j5j 3
2 "9 upper SS-bond constraints" 3 1 3 29 rr_1j5j 3
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_Gen_dist_constraint_list.ID 4
_Gen_dist_constraint_list.Constraint_type "disulfide bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
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_1j5j 4
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 7 7 CYS CB C . . . 1 1 28 28 CYS SG S . . . . . . 3.0 . . . . . . A . 7 CYS CB . . A . 28 CYS SG . . . 7 CYS CB . . . . . 28 CYS SG . . rr_1j5j 4
2 1 . . 1 1 7 7 CYS SG S . . . 1 1 28 28 CYS CB C . . . . . . 3.0 . . . . . . A . 7 CYS SG . . A . 28 CYS CB . . . 7 CYS SG . . . . . 28 CYS CB . . rr_1j5j 4
3 1 . . 1 1 28 28 CYS SG S . . . 1 1 7 7 CYS SG S . . . . . . 2.0 . . . . . . A . 7 CYS SG . . A . 28 CYS SG . . . 7 CYS SG . . . . . 28 CYS SG . . rr_1j5j 4
4 1 . . 1 1 13 13 CYS CB C . . . 1 1 33 33 CYS SG S . . . . . . 3.0 . . . . . . A . 13 CYS CB . . A . 33 CYS SG . . . 13 CYS CB . . . . . 33 CYS SG . . rr_1j5j 4
5 1 . . 1 1 13 13 CYS SG S . . . 1 1 33 33 CYS CB C . . . . . . 3.0 . . . . . . A . 13 CYS SG . . A . 33 CYS CB . . . 13 CYS SG . . . . . 33 CYS CB . . rr_1j5j 4
6 1 . . 1 1 33 33 CYS SG S . . . 1 1 13 13 CYS SG S . . . . . . 2.0 . . . . . . A . 13 CYS SG . . A . 33 CYS SG . . . 13 CYS SG . . . . . 33 CYS SG . . rr_1j5j 4
7 1 . . 1 1 17 17 CYS CB C . . . 1 1 35 35 CYS SG S . . . . . . 3.0 . . . . . . A . 17 CYS CB . . A . 35 CYS SG . . . 17 CYS CB . . . . . 35 CYS SG . . rr_1j5j 4
8 1 . . 1 1 17 17 CYS SG S . . . 1 1 35 35 CYS CB C . . . . . . 3.0 . . . . . . A . 17 CYS SG . . A . 35 CYS CB . . . 17 CYS SG . . . . . 35 CYS CB . . rr_1j5j 4
9 1 . . 1 1 35 35 CYS SG S . . . 1 1 17 17 CYS SG S . . . . . . 2.0 . . . . . . A . 17 CYS SG . . A . 35 CYS SG . . . 17 CYS SG . . . . . 35 CYS SG . . rr_1j5j 4
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 "9 lower SS-bond constraints" 1 1 1 29 rr_1j5j 4
stop_
save_
save_DYANA/DIANA_distance_constraints_6
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_6
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_Gen_dist_constraint_list.ID 5
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 6
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_1j5j 5
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 3 3 THR N N . . . 1 1 33 33 CYS O O . . . . . . . 3.3 . . . . . A . 3 THR N . . A . 33 CYS O . . . 3 THR N . . . . . 33 CYS O . . rr_1j5j 5
2 1 . . 1 1 3 3 THR H H . . . 1 1 33 33 CYS C C . . . . . . . 3.5 . . . . . A . 3 THR H . . A . 33 CYS C . . . 3 THR HN . . . . . 33 CYS C . . rr_1j5j 5
3 1 . . 1 1 3 3 THR H H . . . 1 1 33 33 CYS O O . . . . . . . 2.2 . . . . . A . 3 THR H . . A . 33 CYS O . . . 3 THR HN . . . . . 33 CYS O . . rr_1j5j 5
4 1 . . 1 1 5 5 ILE N N . . . 1 1 3 3 THR OG1 O . . . . . . . 3.4 . . . . . A . 5 ILE N . . A . 3 THR OG1 . . . 5 ILE N . . . . . 3 THR OG1 . . rr_1j5j 5
5 1 . . 1 1 5 5 ILE H H . . . 1 1 3 3 THR OG1 O . . . . . . . 2.5 . . . . . A . 5 ILE H . . A . 3 THR OG1 . . . 5 ILE HN . . . . . 3 THR OG1 . . rr_1j5j 5
6 1 . . 1 1 7 7 CYS N N . . . 1 1 31 31 GLY O O . . . . . . . 3.3 . . . . . A . 7 CYS N . . A . 31 GLY O . . . 7 CYS N . . . . . 31 GLY O . . rr_1j5j 5
7 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY C C . . . . . . . 3.5 . . . . . A . 7 CYS H . . A . 31 GLY C . . . 7 CYS HN . . . . . 31 GLY C . . rr_1j5j 5
8 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY O O . . . . . . . 2.2 . . . . . A . 7 CYS H . . A . 31 GLY O . . . 7 CYS HN . . . . . 31 GLY O . . rr_1j5j 5
9 1 . . 1 1 8 8 SER N N . . . 1 1 12 12 GLN OE1 O . . . . . . . 3.4 . . . . . A . 8 SER N . . A . 12 GLN OE1 . . . 8 SER N . . . . . 12 GLN OE1 . . rr_1j5j 5
10 1 . . 1 1 8 8 SER H H . . . 1 1 12 12 GLN OE1 O . . . . . . . 2.3 . . . . . A . 8 SER H . . A . 12 GLN OE1 . . . 8 SER HN . . . . . 12 GLN OE1 . . rr_1j5j 5
11 1 . . 1 1 12 12 GLN OE1 O . . . 1 1 9 9 GLU N N . . . . . . . 3.4 . . . . . A . 9 GLU N . . A . 12 GLN OE1 . . . 9 GLU N . . . . . 12 GLN OE1 . . rr_1j5j 5
12 1 . . 1 1 9 9 GLU H H . . . 1 1 12 12 GLN OE1 O . . . . . . . 2.3 . . . . . A . 9 GLU H . . A . 12 GLN OE1 . . . 9 GLU HN . . . . . 12 GLN OE1 . . rr_1j5j 5
13 1 . . 1 1 12 12 GLN N N . . . 1 1 9 9 GLU O O . . . . . . . 3.4 . . . . . A . 12 GLN N . . A . 9 GLU O . . . 12 GLN N . . . . . 9 GLU O . . rr_1j5j 5
14 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 GLU C C . . . . . . . 3.5 . . . . . A . 12 GLN H . . A . 9 GLU C . . . 12 GLN HN . . . . . 9 GLU C . . rr_1j5j 5
15 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 GLU O O . . . . . . . 2.4 . . . . . A . 12 GLN H . . A . 9 GLU O . . . 12 GLN HN . . . . . 9 GLU O . . rr_1j5j 5
16 1 . . 1 1 13 13 CYS N N . . . 1 1 10 10 SER O O . . . . . . . 3.4 . . . . . A . 13 CYS N . . A . 10 SER O . . . 13 CYS N . . . . . 10 SER O . . rr_1j5j 5
17 1 . . 1 1 13 13 CYS H H . . . 1 1 10 10 SER C C . . . . . . . 3.5 . . . . . A . 13 CYS H . . A . 10 SER C . . . 13 CYS HN . . . . . 10 SER C . . rr_1j5j 5
18 1 . . 1 1 13 13 CYS H H . . . 1 1 10 10 SER O O . . . . . . . 2.4 . . . . . A . 13 CYS H . . A . 10 SER O . . . 13 CYS HN . . . . . 10 SER O . . rr_1j5j 5
19 1 . . 1 1 10 10 SER O O . . . 1 1 14 14 PHE N N . . . . . . . 3.3 . . . . . A . 14 PHE N . . A . 10 SER O . . . 14 PHE N . . . . . 10 SER O . . rr_1j5j 5
20 1 . . 1 1 14 14 PHE H H . . . 1 1 10 10 SER C C . . . . . . . 3.5 . . . . . A . 14 PHE H . . A . 10 SER C . . . 14 PHE HN . . . . . 10 SER C . . rr_1j5j 5
21 1 . . 1 1 14 14 PHE H H . . . 1 1 10 10 SER O O . . . . . . . 2.3 . . . . . A . 14 PHE H . . A . 10 SER O . . . 14 PHE HN . . . . . 10 SER O . . rr_1j5j 5
22 1 . . 1 1 17 17 CYS N N . . . 1 1 13 13 CYS O O . . . . . . . 3.3 . . . . . A . 17 CYS N . . A . 13 CYS O . . . 17 CYS N . . . . . 13 CYS O . . rr_1j5j 5
23 1 . . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS C C . . . . . . . 3.5 . . . . . A . 17 CYS H . . A . 13 CYS C . . . 17 CYS HN . . . . . 13 CYS C . . rr_1j5j 5
24 1 . . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS O O . . . . . . . 2.3 . . . . . A . 17 CYS H . . A . 13 CYS O . . . 17 CYS HN . . . . . 13 CYS O . . rr_1j5j 5
25 1 . . 1 1 18 18 LYS N N . . . 1 1 14 14 PHE O O . . . . . . . 3.3 . . . . . A . 18 LYS N . . A . 14 PHE O . . . 18 LYS N . . . . . 14 PHE O . . rr_1j5j 5
26 1 . . 1 1 18 18 LYS H H . . . 1 1 14 14 PHE C C . . . . . . . 3.5 . . . . . A . 18 LYS H . . A . 14 PHE C . . . 18 LYS HN . . . . . 14 PHE C . . rr_1j5j 5
27 1 . . 1 1 18 18 LYS H H . . . 1 1 14 14 PHE O O . . . . . . . 2.3 . . . . . A . 18 LYS H . . A . 14 PHE O . . . 18 LYS HN . . . . . 14 PHE O . . rr_1j5j 5
28 1 . . 1 1 20 20 ARG N N . . . 1 1 16 16 VAL O O . . . . . . . 3.3 . . . . . A . 20 ARG N . . A . 16 VAL O . . . 20 ARG N . . . . . 16 VAL O . . rr_1j5j 5
29 1 . . 1 1 20 20 ARG H H . . . 1 1 16 16 VAL C C . . . . . . . 3.5 . . . . . A . 20 ARG H . . A . 16 VAL C . . . 20 ARG HN . . . . . 16 VAL C . . rr_1j5j 5
30 1 . . 1 1 20 20 ARG H H . . . 1 1 16 16 VAL O O . . . . . . . 2.3 . . . . . A . 20 ARG H . . A . 16 VAL O . . . 20 ARG HN . . . . . 16 VAL O . . rr_1j5j 5
31 1 . . 1 1 21 21 PHE N N . . . 1 1 17 17 CYS O O . . . . . . . 3.3 . . . . . A . 21 PHE N . . A . 17 CYS O . . . 21 PHE N . . . . . 17 CYS O . . rr_1j5j 5
32 1 . . 1 1 21 21 PHE H H . . . 1 1 17 17 CYS C C . . . . . . . 3.5 . . . . . A . 21 PHE H . . A . 17 CYS C . . . 21 PHE HN . . . . . 17 CYS C . . rr_1j5j 5
33 1 . . 1 1 21 21 PHE H H . . . 1 1 17 17 CYS O O . . . . . . . 2.3 . . . . . A . 21 PHE H . . A . 17 CYS O . . . 21 PHE HN . . . . . 17 CYS O . . rr_1j5j 5
34 1 . . 1 1 17 17 CYS O O . . . 1 1 22 22 GLY N N . . . . . . . 3.3 . . . . . A . 22 GLY N . . A . 17 CYS O . . . 22 GLY N . . . . . 17 CYS O . . rr_1j5j 5
35 1 . . 1 1 22 22 GLY H H . . . 1 1 17 17 CYS C C . . . . . . . 3.5 . . . . . A . 22 GLY H . . A . 17 CYS C . . . 22 GLY HN . . . . . 17 CYS C . . rr_1j5j 5
36 1 . . 1 1 22 22 GLY H H . . . 1 1 17 17 CYS O O . . . . . . . 2.3 . . . . . A . 22 GLY H . . A . 17 CYS O . . . 22 GLY HN . . . . . 17 CYS O . . rr_1j5j 5
37 1 . . 1 1 26 26 GLY N N . . . 1 1 25 25 ASN OD1 O . . . . . . . 3.4 . . . . . A . 26 GLY N . . A . 25 ASN OD1 . . . 26 GLY N . . . . . 25 ASN OD1 . . rr_1j5j 5
38 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 ASN OD1 O . . . . . . . 2.4 . . . . . A . 26 GLY H . . A . 25 ASN OD1 . . . 26 GLY HN . . . . . 25 ASN OD1 . . rr_1j5j 5
39 1 . . 1 1 25 25 ASN H H . . . 1 1 36 36 PHE C C . . . . . . . 3.5 . . . . . A . 25 ASN H . . A . 36 PHE C . . . 25 ASN HN . . . . . 36 PHE C . . rr_1j5j 5
40 1 . . 1 1 27 27 ARG N N . . . 1 1 34 34 ASP O O . . . . . . . 3.3 . . . . . A . 27 ARG N . . A . 34 ASP O . . . 27 ARG N . . . . . 34 ASP O . . rr_1j5j 5
41 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP C C . . . . . . . 3.5 . . . . . A . 27 ARG H . . A . 34 ASP C . . . 27 ARG HN . . . . . 34 ASP C . . rr_1j5j 5
42 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP O O . . . . . . . 2.2 . . . . . A . 27 ARG H . . A . 34 ASP O . . . 27 ARG HN . . . . . 34 ASP O . . rr_1j5j 5
43 1 . . 1 1 28 28 CYS N N . . . 1 1 10 10 SER OG O . . . . . . . 3.4 . . . . . A . 28 CYS N . . A . 10 SER OG . . . 28 CYS N . . . . . 10 SER OG . . rr_1j5j 5
44 1 . . 1 1 28 28 CYS H H . . . 1 1 10 10 SER OG O . . . . . . . 2.5 . . . . . A . 28 CYS H . . A . 10 SER OG . . . 28 CYS HN . . . . . 10 SER OG . . rr_1j5j 5
45 1 . . 1 1 29 29 VAL N N . . . 1 1 32 32 PHE O O . . . . . . . 3.4 . . . . . A . 29 VAL N . . A . 32 PHE O . . . 29 VAL N . . . . . 32 PHE O . . rr_1j5j 5
46 1 . . 1 1 29 29 VAL H H . . . 1 1 32 32 PHE C C . . . . . . . 3.5 . . . . . A . 29 VAL H . . A . 32 PHE C . . . 29 VAL HN . . . . . 32 PHE C . . rr_1j5j 5
47 1 . . 1 1 29 29 VAL H H . . . 1 1 32 32 PHE O O . . . . . . . 2.4 . . . . . A . 29 VAL H . . A . 32 PHE O . . . 29 VAL HN . . . . . 32 PHE O . . rr_1j5j 5
48 1 . . 1 1 32 32 PHE N N . . . 1 1 29 29 VAL O O . . . . . . . 3.4 . . . . . A . 32 PHE N . . A . 29 VAL O . . . 32 PHE N . . . . . 29 VAL O . . rr_1j5j 5
49 1 . . 1 1 32 32 PHE H H . . . 1 1 29 29 VAL C C . . . . . . . 3.5 . . . . . A . 32 PHE H . . A . 29 VAL C . . . 32 PHE HN . . . . . 29 VAL C . . rr_1j5j 5
50 1 . . 1 1 32 32 PHE H H . . . 1 1 29 29 VAL O O . . . . . . . 2.4 . . . . . A . 32 PHE H . . A . 29 VAL O . . . 32 PHE HN . . . . . 29 VAL O . . rr_1j5j 5
51 1 . . 1 1 33 33 CYS N N . . . 1 1 5 5 ILE O O . . . . . . . 3.3 . . . . . A . 33 CYS N . . A . 5 ILE O . . . 33 CYS N . . . . . 5 ILE O . . rr_1j5j 5
52 1 . . 1 1 33 33 CYS H H . . . 1 1 5 5 ILE C C . . . . . . . 3.5 . . . . . A . 33 CYS H . . A . 5 ILE C . . . 33 CYS HN . . . . . 5 ILE C . . rr_1j5j 5
53 1 . . 1 1 33 33 CYS H H . . . 1 1 5 5 ILE O O . . . . . . . 2.2 . . . . . A . 33 CYS H . . A . 5 ILE O . . . 33 CYS HN . . . . . 5 ILE O . . rr_1j5j 5
54 1 . . 1 1 34 34 ASP N N . . . 1 1 27 27 ARG O O . . . . . . . 3.3 . . . . . A . 34 ASP N . . A . 27 ARG O . . . 34 ASP N . . . . . 27 ARG O . . rr_1j5j 5
55 1 . . 1 1 34 34 ASP H H . . . 1 1 27 27 ARG C C . . . . . . . 3.5 . . . . . A . 34 ASP H . . A . 27 ARG C . . . 34 ASP HN . . . . . 27 ARG C . . rr_1j5j 5
56 1 . . 1 1 34 34 ASP H H . . . 1 1 27 27 ARG O O . . . . . . . 2.2 . . . . . A . 34 ASP H . . A . 27 ARG O . . . 34 ASP HN . . . . . 27 ARG O . . rr_1j5j 5
57 1 . . 1 1 35 35 CYS N N . . . 1 1 1 1 ARG O O . . . . . . . 3.3 . . . . . A . 35 CYS N . . A . 1 ARG O . . . 35 CYS N . . . . . 1 ARG O . . rr_1j5j 5
58 1 . . 1 1 35 35 CYS H H . . . 1 1 1 1 ARG C C . . . . . . . 3.5 . . . . . A . 35 CYS H . . A . 1 ARG C . . . 35 CYS HN . . . . . 1 ARG C . . rr_1j5j 5
59 1 . . 1 1 35 35 CYS H H . . . 1 1 1 1 ARG O O . . . . . . . 2.2 . . . . . A . 35 CYS H . . A . 1 ARG O . . . 35 CYS HN . . . . . 1 ARG O . . rr_1j5j 5
60 1 . . 1 1 36 36 PHE N N . . . 1 1 25 25 ASN O O . . . . . . . 3.3 . . . . . A . 36 PHE N . . A . 25 ASN O . . . 36 PHE N . . . . . 25 ASN O . . rr_1j5j 5
61 1 . . 1 1 36 36 PHE H H . . . 1 1 25 25 ASN C C . . . . . . . 3.5 . . . . . A . 36 PHE H . . A . 25 ASN C . . . 36 PHE HN . . . . . 25 ASN C . . rr_1j5j 5
62 1 . . 1 1 36 36 PHE H H . . . 1 1 25 25 ASN O O . . . . . . . 2.2 . . . . . A . 36 PHE H . . A . 25 ASN O . . . 36 PHE HN . . . . . 25 ASN O . . rr_1j5j 5
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 "23 H-BONDS: 18 bb-bb, 5 bb-sc" 2 1 2 31 rr_1j5j 5
2 "64 upper H-bond constraints" 3 1 3 29 rr_1j5j 5
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 6 39 1 "Not handling restraint 39, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 5
2 6 41 1 "Not handling restraint 41, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 5
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_7
_Gen_dist_constraint_list.Entry_ID rr_1j5j
_Gen_dist_constraint_list.ID 6
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 7
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_1j5j 6
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 3 3 THR N N . . . 1 1 33 33 CYS O O . . . . . . 2.6 . . . . . . A . 3 THR N . . A . 33 CYS O . . . 3 THR N . . . . . 33 CYS O . . rr_1j5j 6
2 1 . . 1 1 3 3 THR H H . . . 1 1 33 33 CYS C C . . . . . . 2.6 . . . . . . A . 3 THR H . . A . 33 CYS C . . . 3 THR HN . . . . . 33 CYS C . . rr_1j5j 6
3 1 . . 1 1 3 3 THR H H . . . 1 1 33 33 CYS O O . . . . . . 1.7 . . . . . . A . 3 THR H . . A . 33 CYS O . . . 3 THR HN . . . . . 33 CYS O . . rr_1j5j 6
4 1 . . 1 1 5 5 ILE N N . . . 1 1 3 3 THR OG1 O . . . . . . 2.6 . . . . . . A . 5 ILE N . . A . 3 THR OG1 . . . 5 ILE N . . . . . 3 THR OG1 . . rr_1j5j 6
5 1 . . 1 1 5 5 ILE H H . . . 1 1 3 3 THR OG1 O . . . . . . 1.8 . . . . . . A . 5 ILE H . . A . 3 THR OG1 . . . 5 ILE HN . . . . . 3 THR OG1 . . rr_1j5j 6
6 1 . . 1 1 7 7 CYS N N . . . 1 1 31 31 GLY O O . . . . . . 2.6 . . . . . . A . 7 CYS N . . A . 31 GLY O . . . 7 CYS N . . . . . 31 GLY O . . rr_1j5j 6
7 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY C C . . . . . . 2.6 . . . . . . A . 7 CYS H . . A . 31 GLY C . . . 7 CYS HN . . . . . 31 GLY C . . rr_1j5j 6
8 1 . . 1 1 7 7 CYS H H . . . 1 1 31 31 GLY O O . . . . . . 1.7 . . . . . . A . 7 CYS H . . A . 31 GLY O . . . 7 CYS HN . . . . . 31 GLY O . . rr_1j5j 6
9 1 . . 1 1 8 8 SER N N . . . 1 1 12 12 GLN OE1 O . . . . . . 2.6 . . . . . . A . 8 SER N . . A . 12 GLN OE1 . . . 8 SER N . . . . . 12 GLN OE1 . . rr_1j5j 6
10 1 . . 1 1 8 8 SER H H . . . 1 1 12 12 GLN OE1 O . . . . . . 1.8 . . . . . . A . 8 SER H . . A . 12 GLN OE1 . . . 8 SER HN . . . . . 12 GLN OE1 . . rr_1j5j 6
11 1 . . 1 1 12 12 GLN OE1 O . . . 1 1 9 9 GLU N N . . . . . . 2.6 . . . . . . A . 9 GLU N . . A . 12 GLN OE1 . . . 9 GLU N . . . . . 12 GLN OE1 . . rr_1j5j 6
12 1 . . 1 1 9 9 GLU H H . . . 1 1 12 12 GLN OE1 O . . . . . . 1.8 . . . . . . A . 9 GLU H . . A . 12 GLN OE1 . . . 9 GLU HN . . . . . 12 GLN OE1 . . rr_1j5j 6
13 1 . . 1 1 12 12 GLN N N . . . 1 1 9 9 GLU O O . . . . . . 2.7 . . . . . . A . 12 GLN N . . A . 9 GLU O . . . 12 GLN N . . . . . 9 GLU O . . rr_1j5j 6
14 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 GLU C C . . . . . . 2.6 . . . . . . A . 12 GLN H . . A . 9 GLU C . . . 12 GLN HN . . . . . 9 GLU C . . rr_1j5j 6
15 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 GLU O O . . . . . . 1.9 . . . . . . A . 12 GLN H . . A . 9 GLU O . . . 12 GLN HN . . . . . 9 GLU O . . rr_1j5j 6
16 1 . . 1 1 13 13 CYS N N . . . 1 1 10 10 SER O O . . . . . . 2.7 . . . . . . A . 13 CYS N . . A . 10 SER O . . . 13 CYS N . . . . . 10 SER O . . rr_1j5j 6
17 1 . . 1 1 13 13 CYS H H . . . 1 1 10 10 SER C C . . . . . . 2.6 . . . . . . A . 13 CYS H . . A . 10 SER C . . . 13 CYS HN . . . . . 10 SER C . . rr_1j5j 6
18 1 . . 1 1 13 13 CYS H H . . . 1 1 10 10 SER O O . . . . . . 1.9 . . . . . . A . 13 CYS H . . A . 10 SER O . . . 13 CYS HN . . . . . 10 SER O . . rr_1j5j 6
19 1 . . 1 1 10 10 SER O O . . . 1 1 14 14 PHE N N . . . . . . 2.6 . . . . . . A . 14 PHE N . . A . 10 SER O . . . 14 PHE N . . . . . 10 SER O . . rr_1j5j 6
20 1 . . 1 1 14 14 PHE H H . . . 1 1 10 10 SER C C . . . . . . 2.6 . . . . . . A . 14 PHE H . . A . 10 SER C . . . 14 PHE HN . . . . . 10 SER C . . rr_1j5j 6
21 1 . . 1 1 14 14 PHE H H . . . 1 1 10 10 SER O O . . . . . . 1.8 . . . . . . A . 14 PHE H . . A . 10 SER O . . . 14 PHE HN . . . . . 10 SER O . . rr_1j5j 6
22 1 . . 1 1 17 17 CYS N N . . . 1 1 13 13 CYS O O . . . . . . 2.6 . . . . . . A . 17 CYS N . . A . 13 CYS O . . . 17 CYS N . . . . . 13 CYS O . . rr_1j5j 6
23 1 . . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS C C . . . . . . 2.6 . . . . . . A . 17 CYS H . . A . 13 CYS C . . . 17 CYS HN . . . . . 13 CYS C . . rr_1j5j 6
24 1 . . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS O O . . . . . . 1.8 . . . . . . A . 17 CYS H . . A . 13 CYS O . . . 17 CYS HN . . . . . 13 CYS O . . rr_1j5j 6
25 1 . . 1 1 18 18 LYS N N . . . 1 1 14 14 PHE O O . . . . . . 2.6 . . . . . . A . 18 LYS N . . A . 14 PHE O . . . 18 LYS N . . . . . 14 PHE O . . rr_1j5j 6
26 1 . . 1 1 18 18 LYS H H . . . 1 1 14 14 PHE C C . . . . . . 2.6 . . . . . . A . 18 LYS H . . A . 14 PHE C . . . 18 LYS HN . . . . . 14 PHE C . . rr_1j5j 6
27 1 . . 1 1 18 18 LYS H H . . . 1 1 14 14 PHE O O . . . . . . 1.8 . . . . . . A . 18 LYS H . . A . 14 PHE O . . . 18 LYS HN . . . . . 14 PHE O . . rr_1j5j 6
28 1 . . 1 1 20 20 ARG N N . . . 1 1 16 16 VAL O O . . . . . . 2.6 . . . . . . A . 20 ARG N . . A . 16 VAL O . . . 20 ARG N . . . . . 16 VAL O . . rr_1j5j 6
29 1 . . 1 1 20 20 ARG H H . . . 1 1 16 16 VAL C C . . . . . . 2.6 . . . . . . A . 20 ARG H . . A . 16 VAL C . . . 20 ARG HN . . . . . 16 VAL C . . rr_1j5j 6
30 1 . . 1 1 20 20 ARG H H . . . 1 1 16 16 VAL O O . . . . . . 1.8 . . . . . . A . 20 ARG H . . A . 16 VAL O . . . 20 ARG HN . . . . . 16 VAL O . . rr_1j5j 6
31 1 . . 1 1 21 21 PHE N N . . . 1 1 17 17 CYS O O . . . . . . 2.6 . . . . . . A . 21 PHE N . . A . 17 CYS O . . . 21 PHE N . . . . . 17 CYS O . . rr_1j5j 6
32 1 . . 1 1 21 21 PHE H H . . . 1 1 17 17 CYS C C . . . . . . 2.6 . . . . . . A . 21 PHE H . . A . 17 CYS C . . . 21 PHE HN . . . . . 17 CYS C . . rr_1j5j 6
33 1 . . 1 1 21 21 PHE H H . . . 1 1 17 17 CYS O O . . . . . . 1.8 . . . . . . A . 21 PHE H . . A . 17 CYS O . . . 21 PHE HN . . . . . 17 CYS O . . rr_1j5j 6
34 1 . . 1 1 17 17 CYS O O . . . 1 1 22 22 GLY N N . . . . . . 2.6 . . . . . . A . 22 GLY N . . A . 17 CYS O . . . 22 GLY N . . . . . 17 CYS O . . rr_1j5j 6
35 1 . . 1 1 22 22 GLY H H . . . 1 1 17 17 CYS C C . . . . . . 2.6 . . . . . . A . 22 GLY H . . A . 17 CYS C . . . 22 GLY HN . . . . . 17 CYS C . . rr_1j5j 6
36 1 . . 1 1 22 22 GLY H H . . . 1 1 17 17 CYS O O . . . . . . 1.8 . . . . . . A . 22 GLY H . . A . 17 CYS O . . . 22 GLY HN . . . . . 17 CYS O . . rr_1j5j 6
37 1 . . 1 1 26 26 GLY N N . . . 1 1 25 25 ASN OD1 O . . . . . . 2.6 . . . . . . A . 26 GLY N . . A . 25 ASN OD1 . . . 26 GLY N . . . . . 25 ASN OD1 . . rr_1j5j 6
38 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 ASN OD1 O . . . . . . 1.7 . . . . . . A . 26 GLY H . . A . 25 ASN OD1 . . . 26 GLY HN . . . . . 25 ASN OD1 . . rr_1j5j 6
39 1 . . 1 1 25 25 ASN H H . . . 1 1 36 36 PHE C C . . . . . . 2.6 . . . . . . A . 25 ASN H . . A . 36 PHE C . . . 25 ASN HN . . . . . 36 PHE C . . rr_1j5j 6
40 1 . . 1 1 27 27 ARG N N . . . 1 1 34 34 ASP O O . . . . . . 2.6 . . . . . . A . 27 ARG N . . A . 34 ASP O . . . 27 ARG N . . . . . 34 ASP O . . rr_1j5j 6
41 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP C C . . . . . . 2.6 . . . . . . A . 27 ARG H . . A . 34 ASP C . . . 27 ARG HN . . . . . 34 ASP C . . rr_1j5j 6
42 1 . . 1 1 27 27 ARG H H . . . 1 1 34 34 ASP O O . . . . . . 1.7 . . . . . . A . 27 ARG H . . A . 34 ASP O . . . 27 ARG HN . . . . . 34 ASP O . . rr_1j5j 6
43 1 . . 1 1 28 28 CYS N N . . . 1 1 10 10 SER OG O . . . . . . 2.6 . . . . . . A . 28 CYS N . . A . 10 SER OG . . . 28 CYS N . . . . . 10 SER OG . . rr_1j5j 6
44 1 . . 1 1 28 28 CYS H H . . . 1 1 10 10 SER OG O . . . . . . 1.8 . . . . . . A . 28 CYS H . . A . 10 SER OG . . . 28 CYS HN . . . . . 10 SER OG . . rr_1j5j 6
45 1 . . 1 1 29 29 VAL N N . . . 1 1 32 32 PHE O O . . . . . . 2.7 . . . . . . A . 29 VAL N . . A . 32 PHE O . . . 29 VAL N . . . . . 32 PHE O . . rr_1j5j 6
46 1 . . 1 1 29 29 VAL H H . . . 1 1 32 32 PHE C C . . . . . . 2.6 . . . . . . A . 29 VAL H . . A . 32 PHE C . . . 29 VAL HN . . . . . 32 PHE C . . rr_1j5j 6
47 1 . . 1 1 29 29 VAL H H . . . 1 1 32 32 PHE O O . . . . . . 1.9 . . . . . . A . 29 VAL H . . A . 32 PHE O . . . 29 VAL HN . . . . . 32 PHE O . . rr_1j5j 6
48 1 . . 1 1 32 32 PHE N N . . . 1 1 29 29 VAL O O . . . . . . 2.7 . . . . . . A . 32 PHE N . . A . 29 VAL O . . . 32 PHE N . . . . . 29 VAL O . . rr_1j5j 6
49 1 . . 1 1 32 32 PHE H H . . . 1 1 29 29 VAL C C . . . . . . 2.6 . . . . . . A . 32 PHE H . . A . 29 VAL C . . . 32 PHE HN . . . . . 29 VAL C . . rr_1j5j 6
50 1 . . 1 1 32 32 PHE H H . . . 1 1 29 29 VAL O O . . . . . . 1.9 . . . . . . A . 32 PHE H . . A . 29 VAL O . . . 32 PHE HN . . . . . 29 VAL O . . rr_1j5j 6
51 1 . . 1 1 33 33 CYS N N . . . 1 1 5 5 ILE O O . . . . . . 2.6 . . . . . . A . 33 CYS N . . A . 5 ILE O . . . 33 CYS N . . . . . 5 ILE O . . rr_1j5j 6
52 1 . . 1 1 33 33 CYS H H . . . 1 1 5 5 ILE C C . . . . . . 2.6 . . . . . . A . 33 CYS H . . A . 5 ILE C . . . 33 CYS HN . . . . . 5 ILE C . . rr_1j5j 6
53 1 . . 1 1 33 33 CYS H H . . . 1 1 5 5 ILE O O . . . . . . 1.7 . . . . . . A . 33 CYS H . . A . 5 ILE O . . . 33 CYS HN . . . . . 5 ILE O . . rr_1j5j 6
54 1 . . 1 1 34 34 ASP N N . . . 1 1 27 27 ARG O O . . . . . . 2.6 . . . . . . A . 34 ASP N . . A . 27 ARG O . . . 34 ASP N . . . . . 27 ARG O . . rr_1j5j 6
55 1 . . 1 1 34 34 ASP H H . . . 1 1 27 27 ARG C C . . . . . . 2.6 . . . . . . A . 34 ASP H . . A . 27 ARG C . . . 34 ASP HN . . . . . 27 ARG C . . rr_1j5j 6
56 1 . . 1 1 34 34 ASP H H . . . 1 1 27 27 ARG O O . . . . . . 1.7 . . . . . . A . 34 ASP H . . A . 27 ARG O . . . 34 ASP HN . . . . . 27 ARG O . . rr_1j5j 6
57 1 . . 1 1 35 35 CYS N N . . . 1 1 1 1 ARG O O . . . . . . 2.6 . . . . . . A . 35 CYS N . . A . 1 ARG O . . . 35 CYS N . . . . . 1 ARG O . . rr_1j5j 6
58 1 . . 1 1 35 35 CYS H H . . . 1 1 1 1 ARG C C . . . . . . 2.6 . . . . . . A . 35 CYS H . . A . 1 ARG C . . . 35 CYS HN . . . . . 1 ARG C . . rr_1j5j 6
59 1 . . 1 1 35 35 CYS H H . . . 1 1 1 1 ARG O O . . . . . . 1.7 . . . . . . A . 35 CYS H . . A . 1 ARG O . . . 35 CYS HN . . . . . 1 ARG O . . rr_1j5j 6
60 1 . . 1 1 36 36 PHE N N . . . 1 1 25 25 ASN O O . . . . . . 2.6 . . . . . . A . 36 PHE N . . A . 25 ASN O . . . 36 PHE N . . . . . 25 ASN O . . rr_1j5j 6
61 1 . . 1 1 36 36 PHE H H . . . 1 1 25 25 ASN C C . . . . . . 2.6 . . . . . . A . 36 PHE H . . A . 25 ASN C . . . 36 PHE HN . . . . . 25 ASN C . . rr_1j5j 6
62 1 . . 1 1 36 36 PHE H H . . . 1 1 25 25 ASN O O . . . . . . 1.7 . . . . . . A . 36 PHE H . . A . 25 ASN O . . . 36 PHE HN . . . . . 25 ASN O . . rr_1j5j 6
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 "64 lower H-bond constraints" 1 1 1 29 rr_1j5j 6
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 7 39 1 "Not handling restraint 39, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 6
2 7 41 1 "Not handling restraint 41, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 6
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1j5j
_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_1j5j 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_1j5j 1
2 1 . . . rr_1j5j 1
3 1 2 . OR rr_1j5j 1
3 2 . 3 . rr_1j5j 1
3 3 . . . rr_1j5j 1
4 1 2 . OR rr_1j5j 1
4 2 . 3 . rr_1j5j 1
4 3 . . . rr_1j5j 1
5 1 . . . rr_1j5j 1
6 1 . . . rr_1j5j 1
7 1 . . . rr_1j5j 1
8 1 . . . rr_1j5j 1
9 1 . . . rr_1j5j 1
10 1 . . . rr_1j5j 1
11 1 . . . rr_1j5j 1
12 1 . . . rr_1j5j 1
13 1 . . . rr_1j5j 1
14 1 . . . rr_1j5j 1
15 1 . . . rr_1j5j 1
16 1 . . . rr_1j5j 1
17 1 2 . OR rr_1j5j 1
17 2 . 3 . rr_1j5j 1
17 3 . . . rr_1j5j 1
18 1 . . . rr_1j5j 1
19 1 . . . rr_1j5j 1
20 1 . . . rr_1j5j 1
21 1 . . . rr_1j5j 1
22 1 2 . OR rr_1j5j 1
22 2 . 3 . rr_1j5j 1
22 3 . . . rr_1j5j 1
23 1 . . . rr_1j5j 1
24 1 . . . rr_1j5j 1
25 1 . . . rr_1j5j 1
26 1 . . . rr_1j5j 1
27 1 . . . rr_1j5j 1
28 1 . . . rr_1j5j 1
29 1 . . . rr_1j5j 1
30 1 . . . rr_1j5j 1
31 1 . . . rr_1j5j 1
32 1 . . . rr_1j5j 1
33 1 . . . rr_1j5j 1
34 1 2 . OR rr_1j5j 1
34 2 . 3 . rr_1j5j 1
34 3 . . . rr_1j5j 1
35 1 . . . rr_1j5j 1
36 1 2 . OR rr_1j5j 1
36 2 . 3 . rr_1j5j 1
36 3 . . . rr_1j5j 1
37 1 . . . rr_1j5j 1
38 1 . . . rr_1j5j 1
39 1 . . . rr_1j5j 1
40 1 . . . rr_1j5j 1
41 1 2 . OR rr_1j5j 1
41 2 . 3 . rr_1j5j 1
41 3 . . . rr_1j5j 1
42 1 . . . rr_1j5j 1
43 1 . . . rr_1j5j 1
44 1 . . . rr_1j5j 1
45 1 . . . rr_1j5j 1
46 1 . . . rr_1j5j 1
47 1 . . . rr_1j5j 1
48 1 . . . rr_1j5j 1
49 1 . . . rr_1j5j 1
50 1 2 . OR rr_1j5j 1
50 2 . 3 . rr_1j5j 1
50 3 . . . rr_1j5j 1
51 1 2 . OR rr_1j5j 1
51 2 . 3 . rr_1j5j 1
51 3 . . . rr_1j5j 1
52 1 . . . rr_1j5j 1
53 1 . . . rr_1j5j 1
54 1 2 . OR rr_1j5j 1
54 2 . 3 . rr_1j5j 1
54 3 . . . rr_1j5j 1
55 1 . . . rr_1j5j 1
56 1 . . . rr_1j5j 1
57 1 2 . OR rr_1j5j 1
57 2 . 3 . rr_1j5j 1
57 3 . . . rr_1j5j 1
58 1 . . . rr_1j5j 1
59 1 2 . OR rr_1j5j 1
59 2 . 3 . rr_1j5j 1
59 3 . . . rr_1j5j 1
60 1 . . . rr_1j5j 1
61 1 . . . rr_1j5j 1
62 1 . . . rr_1j5j 1
63 1 . . . rr_1j5j 1
64 1 . . . rr_1j5j 1
65 1 . . . rr_1j5j 1
66 1 . . . rr_1j5j 1
67 1 . . . rr_1j5j 1
68 1 . . . rr_1j5j 1
69 1 . . . rr_1j5j 1
70 1 . . . rr_1j5j 1
71 1 . . . rr_1j5j 1
72 1 . . . rr_1j5j 1
73 1 . . . rr_1j5j 1
74 1 . . . rr_1j5j 1
75 1 . . . rr_1j5j 1
76 1 . . . rr_1j5j 1
77 1 . . . rr_1j5j 1
78 1 . . . rr_1j5j 1
79 1 . . . rr_1j5j 1
80 1 2 . OR rr_1j5j 1
80 2 . 3 . rr_1j5j 1
80 3 . . . rr_1j5j 1
81 1 . . . rr_1j5j 1
82 1 . . . rr_1j5j 1
83 1 . . . rr_1j5j 1
84 1 . . . rr_1j5j 1
85 1 . . . rr_1j5j 1
86 1 2 . OR rr_1j5j 1
86 2 . 3 . rr_1j5j 1
86 3 . . . rr_1j5j 1
87 1 . . . rr_1j5j 1
88 1 . . . rr_1j5j 1
89 1 . . . rr_1j5j 1
90 1 2 . OR rr_1j5j 1
90 2 . 3 . rr_1j5j 1
90 3 . . . rr_1j5j 1
91 1 . . . rr_1j5j 1
92 1 . . . rr_1j5j 1
93 1 . . . rr_1j5j 1
94 1 . . . rr_1j5j 1
95 1 . . . rr_1j5j 1
96 1 . . . rr_1j5j 1
97 1 . . . rr_1j5j 1
98 1 . . . rr_1j5j 1
99 1 . . . rr_1j5j 1
100 1 . . . rr_1j5j 1
101 1 . . . rr_1j5j 1
102 1 . . . rr_1j5j 1
103 1 . . . rr_1j5j 1
104 1 . . . rr_1j5j 1
105 1 . . . rr_1j5j 1
106 1 . . . rr_1j5j 1
107 1 . . . rr_1j5j 1
108 1 . . . rr_1j5j 1
109 1 . . . rr_1j5j 1
110 1 . . . rr_1j5j 1
111 1 . . . rr_1j5j 1
112 1 . . . rr_1j5j 1
113 1 . . . rr_1j5j 1
114 1 . . . rr_1j5j 1
115 1 . . . rr_1j5j 1
116 1 . . . rr_1j5j 1
117 1 . . . rr_1j5j 1
118 1 . . . rr_1j5j 1
119 1 . . . rr_1j5j 1
120 1 . . . rr_1j5j 1
121 1 . . . rr_1j5j 1
122 1 . . . rr_1j5j 1
123 1 2 . OR rr_1j5j 1
123 2 . 3 . rr_1j5j 1
123 3 . . . rr_1j5j 1
124 1 . . . rr_1j5j 1
125 1 . . . rr_1j5j 1
126 1 . . . rr_1j5j 1
127 1 . . . rr_1j5j 1
128 1 . . . rr_1j5j 1
129 1 . . . rr_1j5j 1
130 1 . . . rr_1j5j 1
131 1 . . . rr_1j5j 1
132 1 . . . rr_1j5j 1
133 1 . . . rr_1j5j 1
134 1 . . . rr_1j5j 1
135 1 . . . rr_1j5j 1
136 1 . . . rr_1j5j 1
137 1 . . . rr_1j5j 1
138 1 . . . rr_1j5j 1
139 1 . . . rr_1j5j 1
140 1 . . . rr_1j5j 1
141 1 . . . rr_1j5j 1
142 1 2 . OR rr_1j5j 1
142 2 . 3 . rr_1j5j 1
142 3 . . . rr_1j5j 1
143 1 2 . OR rr_1j5j 1
143 2 . 3 . rr_1j5j 1
143 3 . . . rr_1j5j 1
144 1 . . . rr_1j5j 1
145 1 . . . rr_1j5j 1
146 1 . . . rr_1j5j 1
147 1 . . . rr_1j5j 1
148 1 . . . rr_1j5j 1
149 1 . . . rr_1j5j 1
150 1 2 . OR rr_1j5j 1
150 2 . 3 . rr_1j5j 1
150 3 . . . rr_1j5j 1
151 1 2 . OR rr_1j5j 1
151 2 . 3 . rr_1j5j 1
151 3 . . . rr_1j5j 1
152 1 . . . rr_1j5j 1
153 1 2 . OR rr_1j5j 1
153 2 . 3 . rr_1j5j 1
153 3 . . . rr_1j5j 1
154 1 . . . rr_1j5j 1
155 1 . . . rr_1j5j 1
156 1 2 . OR rr_1j5j 1
156 2 . 3 . rr_1j5j 1
156 3 . . . rr_1j5j 1
157 1 2 . OR rr_1j5j 1
157 2 . 3 . rr_1j5j 1
157 3 . . . rr_1j5j 1
158 1 . . . rr_1j5j 1
159 1 . . . rr_1j5j 1
160 1 . . . rr_1j5j 1
161 1 . . . rr_1j5j 1
162 1 . . . rr_1j5j 1
163 1 . . . rr_1j5j 1
164 1 . . . rr_1j5j 1
165 1 . . . rr_1j5j 1
166 1 . . . rr_1j5j 1
167 1 2 . OR rr_1j5j 1
167 2 . 3 . rr_1j5j 1
167 3 . . . rr_1j5j 1
168 1 . . . rr_1j5j 1
169 1 . . . rr_1j5j 1
170 1 . . . rr_1j5j 1
171 1 . . . rr_1j5j 1
172 1 . . . rr_1j5j 1
173 1 . . . rr_1j5j 1
174 1 . . . rr_1j5j 1
175 1 2 . OR rr_1j5j 1
175 2 . 3 . rr_1j5j 1
175 3 . . . rr_1j5j 1
176 1 . . . rr_1j5j 1
177 1 . . . rr_1j5j 1
178 1 . . . rr_1j5j 1
179 1 . . . rr_1j5j 1
180 1 2 . OR rr_1j5j 1
180 2 . 3 . rr_1j5j 1
180 3 . . . rr_1j5j 1
181 1 . . . rr_1j5j 1
182 1 . . . rr_1j5j 1
183 1 . . . rr_1j5j 1
184 1 2 . OR rr_1j5j 1
184 2 . 3 . rr_1j5j 1
184 3 . . . rr_1j5j 1
185 1 2 . OR rr_1j5j 1
185 2 . 3 . rr_1j5j 1
185 3 . . . rr_1j5j 1
186 1 . . . rr_1j5j 1
187 1 . . . rr_1j5j 1
188 1 . . . rr_1j5j 1
189 1 . . . rr_1j5j 1
190 1 . . . rr_1j5j 1
191 1 . . . rr_1j5j 1
192 1 2 . OR rr_1j5j 1
192 2 . 3 . rr_1j5j 1
192 3 . . . rr_1j5j 1
193 1 . . . rr_1j5j 1
194 1 . . . rr_1j5j 1
195 1 . . . rr_1j5j 1
196 1 2 . OR rr_1j5j 1
196 2 . 3 . rr_1j5j 1
196 3 . . . rr_1j5j 1
197 1 2 . OR rr_1j5j 1
197 2 . 3 . rr_1j5j 1
197 3 . . . rr_1j5j 1
198 1 . . . rr_1j5j 1
199 1 . . . rr_1j5j 1
200 1 2 . OR rr_1j5j 1
200 2 . 3 . rr_1j5j 1
200 3 . . . rr_1j5j 1
201 1 2 . OR rr_1j5j 1
201 2 . 3 . rr_1j5j 1
201 3 . . . rr_1j5j 1
202 1 . . . rr_1j5j 1
203 1 . . . rr_1j5j 1
204 1 2 . OR rr_1j5j 1
204 2 . 3 . rr_1j5j 1
204 3 . . . rr_1j5j 1
205 1 . . . rr_1j5j 1
206 1 . . . rr_1j5j 1
207 1 . . . rr_1j5j 1
208 1 2 . OR rr_1j5j 1
208 2 . 3 . rr_1j5j 1
208 3 . . . rr_1j5j 1
209 1 . . . rr_1j5j 1
210 1 . . . rr_1j5j 1
211 1 . . . rr_1j5j 1
212 1 2 . OR rr_1j5j 1
212 2 . 3 . rr_1j5j 1
212 3 . . . rr_1j5j 1
213 1 . . . rr_1j5j 1
214 1 2 . OR rr_1j5j 1
214 2 . 3 . rr_1j5j 1
214 3 . . . rr_1j5j 1
215 1 . . . rr_1j5j 1
216 1 2 . OR rr_1j5j 1
216 2 . 3 . rr_1j5j 1
216 3 . . . rr_1j5j 1
217 1 . . . rr_1j5j 1
218 1 . . . rr_1j5j 1
219 1 . . . rr_1j5j 1
220 1 . . . rr_1j5j 1
221 1 2 . OR rr_1j5j 1
221 2 . 3 . rr_1j5j 1
221 3 . . . rr_1j5j 1
222 1 2 . OR rr_1j5j 1
222 2 . 3 . rr_1j5j 1
222 3 . . . rr_1j5j 1
223 1 . . . rr_1j5j 1
224 1 2 . OR rr_1j5j 1
224 2 . 3 . rr_1j5j 1
224 3 . . . rr_1j5j 1
225 1 . . . rr_1j5j 1
226 1 . . . rr_1j5j 1
227 1 . . . rr_1j5j 1
228 1 . . . rr_1j5j 1
229 1 . . . rr_1j5j 1
230 1 . . . rr_1j5j 1
231 1 . . . rr_1j5j 1
232 1 . . . rr_1j5j 1
233 1 . . . rr_1j5j 1
234 1 2 . OR rr_1j5j 1
234 2 . 3 . rr_1j5j 1
234 3 . . . rr_1j5j 1
235 1 2 . OR rr_1j5j 1
235 2 . 3 . rr_1j5j 1
235 3 . . . rr_1j5j 1
236 1 2 . OR rr_1j5j 1
236 2 . 3 . rr_1j5j 1
236 3 . . . rr_1j5j 1
237 1 . . . rr_1j5j 1
238 1 . . . rr_1j5j 1
239 1 . . . rr_1j5j 1
240 1 . . . rr_1j5j 1
241 1 . . . rr_1j5j 1
242 1 . . . rr_1j5j 1
243 1 . . . rr_1j5j 1
244 1 . . . rr_1j5j 1
245 1 . . . rr_1j5j 1
246 1 . . . rr_1j5j 1
247 1 . . . rr_1j5j 1
248 1 . . . rr_1j5j 1
249 1 . . . rr_1j5j 1
250 1 . . . rr_1j5j 1
251 1 . . . rr_1j5j 1
252 1 . . . rr_1j5j 1
253 1 . . . rr_1j5j 1
254 1 . . . rr_1j5j 1
255 1 . . . rr_1j5j 1
256 1 . . . rr_1j5j 1
257 1 . . . rr_1j5j 1
258 1 . . . rr_1j5j 1
259 1 . . . rr_1j5j 1
260 1 . . . rr_1j5j 1
261 1 . . . rr_1j5j 1
262 1 . . . rr_1j5j 1
263 1 . . . rr_1j5j 1
264 1 2 . OR rr_1j5j 1
264 2 . 3 . rr_1j5j 1
264 3 . . . rr_1j5j 1
265 1 2 . OR rr_1j5j 1
265 2 . 3 . rr_1j5j 1
265 3 . . . rr_1j5j 1
266 1 . . . rr_1j5j 1
267 1 2 . OR rr_1j5j 1
267 2 . 3 . rr_1j5j 1
267 3 . . . rr_1j5j 1
268 1 2 . OR rr_1j5j 1
268 2 . 3 . rr_1j5j 1
268 3 . 4 . rr_1j5j 1
268 4 . 5 . rr_1j5j 1
268 5 . . . rr_1j5j 1
269 1 . . . rr_1j5j 1
270 1 . . . rr_1j5j 1
271 1 . . . rr_1j5j 1
272 1 . . . rr_1j5j 1
273 1 . . . rr_1j5j 1
274 1 . . . rr_1j5j 1
275 1 . . . rr_1j5j 1
276 1 . . . rr_1j5j 1
277 1 . . . rr_1j5j 1
278 1 . . . rr_1j5j 1
279 1 . . . rr_1j5j 1
280 1 . . . rr_1j5j 1
281 1 . . . rr_1j5j 1
282 1 . . . rr_1j5j 1
283 1 . . . rr_1j5j 1
284 1 . . . rr_1j5j 1
285 1 . . . rr_1j5j 1
286 1 . . . rr_1j5j 1
287 1 . . . rr_1j5j 1
288 1 . . . rr_1j5j 1
289 1 . . . rr_1j5j 1
290 1 . . . rr_1j5j 1
291 1 . . . rr_1j5j 1
292 1 . . . rr_1j5j 1
293 1 . . . rr_1j5j 1
294 1 . . . rr_1j5j 1
295 1 . . . rr_1j5j 1
296 1 . . . rr_1j5j 1
297 1 . . . rr_1j5j 1
298 1 . . . rr_1j5j 1
299 1 . . . rr_1j5j 1
300 1 . . . rr_1j5j 1
301 1 . . . rr_1j5j 1
302 1 . . . rr_1j5j 1
303 1 . . . rr_1j5j 1
304 1 . . . rr_1j5j 1
305 1 . . . rr_1j5j 1
306 1 . . . rr_1j5j 1
307 1 . . . rr_1j5j 1
308 1 . . . rr_1j5j 1
309 1 . . . rr_1j5j 1
310 1 . . . rr_1j5j 1
311 1 . . . rr_1j5j 1
312 1 . . . rr_1j5j 1
313 1 . . . rr_1j5j 1
314 1 . . . rr_1j5j 1
315 1 . . . rr_1j5j 1
316 1 . . . rr_1j5j 1
317 1 . . . rr_1j5j 1
318 1 . . . rr_1j5j 1
319 1 . . . rr_1j5j 1
320 1 . . . rr_1j5j 1
321 1 . . . rr_1j5j 1
322 1 . . . rr_1j5j 1
323 1 . . . rr_1j5j 1
324 1 . . . rr_1j5j 1
325 1 . . . rr_1j5j 1
326 1 . . . rr_1j5j 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 1 1 ARG HA H . . . . 1 ARG HA rr_1j5j 1
1 1 . 2 . 1 1 2 2 PRO HD2 H . . . . 2 PRO HD2 rr_1j5j 1
2 1 . 1 . 1 1 1 1 ARG HA H . . . . 1 ARG HA rr_1j5j 1
2 1 . 2 . 1 1 2 2 PRO HD3 H . . . . 2 PRO HD3 rr_1j5j 1
3 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 ARG QB rr_1j5j 1
3 2 . 2 . 1 1 2 2 PRO HD2 H . . . . 2 PRO HD2 rr_1j5j 1
3 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 ARG QB rr_1j5j 1
3 3 . 2 . 1 1 2 2 PRO HD2 H . . . . 2 PRO HD2 rr_1j5j 1
4 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 ARG QB rr_1j5j 1
4 2 . 2 . 1 1 2 2 PRO HD3 H . . . . 2 PRO HD3 rr_1j5j 1
4 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 ARG QB rr_1j5j 1
4 3 . 2 . 1 1 2 2 PRO HD3 H . . . . 2 PRO HD3 rr_1j5j 1
5 1 . 1 . 1 1 2 2 PRO HA H . . . . 2 PRO HA rr_1j5j 1
5 1 . 2 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
6 1 . 1 . 1 1 2 2 PRO HA H . . . . 2 PRO HA rr_1j5j 1
6 1 . 2 . 1 1 34 34 ASP HA H . . . . 34 ASP HA rr_1j5j 1
7 1 . 1 . 1 1 2 2 PRO HA H . . . . 2 PRO HA rr_1j5j 1
7 1 . 2 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 1
8 1 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 PRO HB2 rr_1j5j 1
8 1 . 2 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
9 1 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 PRO HB2 rr_1j5j 1
9 1 . 2 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
10 1 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 PRO HB3 rr_1j5j 1
10 1 . 2 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
11 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
11 1 . 2 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
12 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
12 1 . 2 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
13 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 1
13 1 . 2 . 1 1 34 34 ASP HA H . . . . 34 ASP HA rr_1j5j 1
14 1 . 1 . 1 1 3 3 THR HA H . . . . 3 THR HA rr_1j5j 1
14 1 . 2 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
15 1 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
15 1 . 2 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
16 1 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
16 1 . 2 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
17 2 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
17 2 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE QG1 rr_1j5j 1
17 3 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
17 3 . 2 . 1 1 5 5 ILE HG12 H . . . . 5 ILE QG1 rr_1j5j 1
18 1 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
18 1 . 2 . 1 1 5 5 ILE MD H . . . . 5 ILE QD1 rr_1j5j 1
19 1 . 1 . 1 1 3 3 THR HB H . . . . 3 THR HB rr_1j5j 1
19 1 . 2 . 1 1 21 21 PHE HZ H . . . . 21 PHE HZ rr_1j5j 1
20 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
20 1 . 2 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
21 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
21 1 . 2 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
22 2 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
22 2 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE QD rr_1j5j 1
22 3 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
22 3 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE QD rr_1j5j 1
23 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
23 1 . 2 . 1 1 21 21 PHE HZ H . . . . 21 PHE HZ rr_1j5j 1
24 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
24 1 . 2 . 1 1 34 34 ASP HA H . . . . 34 ASP HA rr_1j5j 1
25 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
25 1 . 2 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 1
26 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR QG2 rr_1j5j 1
26 1 . 2 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 1
27 1 . 1 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
27 1 . 2 . 1 1 4 4 ASP HB2 H . . . . 4 ASP HB2 rr_1j5j 1
28 1 . 1 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
28 1 . 2 . 1 1 4 4 ASP HB3 H . . . . 4 ASP HB3 rr_1j5j 1
29 1 . 1 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
29 1 . 2 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
30 1 . 1 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 1
30 1 . 2 . 1 1 5 5 ILE MD H . . . . 5 ILE QD1 rr_1j5j 1
31 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
31 1 . 2 . 1 1 5 5 ILE HB H . . . . 5 ILE HB rr_1j5j 1
32 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
32 1 . 2 . 1 1 5 5 ILE HG12 H . . . . 5 ILE HG12 rr_1j5j 1
33 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
33 1 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE HG13 rr_1j5j 1
34 2 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
34 2 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE QG1 rr_1j5j 1
34 3 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
34 3 . 2 . 1 1 5 5 ILE HG12 H . . . . 5 ILE QG1 rr_1j5j 1
35 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
35 1 . 2 . 1 1 5 5 ILE MD H . . . . 5 ILE QD1 rr_1j5j 1
36 2 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
36 2 . 2 . 1 1 32 32 PHE HD1 H . . . . 32 PHE QD rr_1j5j 1
36 3 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
36 3 . 2 . 1 1 32 32 PHE HD2 H . . . . 32 PHE QD rr_1j5j 1
37 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
37 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
38 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 1
38 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 1
39 1 . 1 . 1 1 5 5 ILE HA H . . . . 5 ILE HA rr_1j5j 1
39 1 . 2 . 1 1 5 5 ILE HG12 H . . . . 5 ILE HG12 rr_1j5j 1
40 1 . 1 . 1 1 5 5 ILE HA H . . . . 5 ILE HA rr_1j5j 1
40 1 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE HG13 rr_1j5j 1
41 2 . 1 . 1 1 5 5 ILE HA H . . . . 5 ILE HA rr_1j5j 1
41 2 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE QG1 rr_1j5j 1
41 3 . 1 . 1 1 5 5 ILE HA H . . . . 5 ILE HA rr_1j5j 1
41 3 . 2 . 1 1 5 5 ILE HG12 H . . . . 5 ILE QG1 rr_1j5j 1
42 1 . 1 . 1 1 5 5 ILE HA H . . . . 5 ILE HA rr_1j5j 1
42 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
43 1 . 1 . 1 1 5 5 ILE HB H . . . . 5 ILE HB rr_1j5j 1
43 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
44 1 . 1 . 1 1 5 5 ILE HB H . . . . 5 ILE HB rr_1j5j 1
44 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 1
45 1 . 1 . 1 1 5 5 ILE HB H . . . . 5 ILE HB rr_1j5j 1
45 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 1
46 1 . 1 . 1 1 5 5 ILE MG H . . . . 5 ILE QG2 rr_1j5j 1
46 1 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
47 1 . 1 . 1 1 5 5 ILE MG H . . . . 5 ILE QG2 rr_1j5j 1
47 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
48 1 . 1 . 1 1 5 5 ILE MG H . . . . 5 ILE QG2 rr_1j5j 1
48 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
49 1 . 1 . 1 1 5 5 ILE MG H . . . . 5 ILE QG2 rr_1j5j 1
49 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 1
50 2 . 1 . 1 1 5 5 ILE HG13 H . . . . 5 ILE QG1 rr_1j5j 1
50 2 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
50 3 . 1 . 1 1 5 5 ILE HG12 H . . . . 5 ILE QG1 rr_1j5j 1
50 3 . 2 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
51 2 . 1 . 1 1 5 5 ILE HG13 H . . . . 5 ILE QG1 rr_1j5j 1
51 2 . 2 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
51 3 . 1 . 1 1 5 5 ILE HG12 H . . . . 5 ILE QG1 rr_1j5j 1
51 3 . 2 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
52 1 . 1 . 1 1 5 5 ILE MD H . . . . 5 ILE QD1 rr_1j5j 1
52 1 . 2 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
53 1 . 1 . 1 1 5 5 ILE MD H . . . . 5 ILE QD1 rr_1j5j 1
53 1 . 2 . 1 1 21 21 PHE HZ H . . . . 21 PHE HZ rr_1j5j 1
54 2 . 1 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
54 2 . 2 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_1j5j 1
54 3 . 1 . 1 1 6 6 LYS H H . . . . 6 LYS HN rr_1j5j 1
54 3 . 2 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_1j5j 1
55 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_1j5j 1
55 1 . 2 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
56 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_1j5j 1
56 1 . 2 . 1 1 32 32 PHE HA H . . . . 32 PHE HA rr_1j5j 1
57 2 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_1j5j 1
57 2 . 2 . 1 1 32 32 PHE HD1 H . . . . 32 PHE QD rr_1j5j 1
57 3 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_1j5j 1
57 3 . 2 . 1 1 32 32 PHE HD2 H . . . . 32 PHE QD rr_1j5j 1
58 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 LYS HA rr_1j5j 1
58 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
59 2 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 LYS QB rr_1j5j 1
59 2 . 2 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
59 3 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS QB rr_1j5j 1
59 3 . 2 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
60 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
60 1 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 CYS HB2 rr_1j5j 1
61 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
61 1 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 CYS HB3 rr_1j5j 1
62 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
62 1 . 2 . 1 1 31 31 GLY HA2 H . . . . 31 GLY HA1 rr_1j5j 1
63 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
63 1 . 2 . 1 1 31 31 GLY HA3 H . . . . 31 GLY HA2 rr_1j5j 1
64 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 1
64 1 . 2 . 1 1 32 32 PHE HA H . . . . 32 PHE HA rr_1j5j 1
65 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
65 1 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 CYS HB2 rr_1j5j 1
66 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
66 1 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 CYS HB3 rr_1j5j 1
67 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
67 1 . 2 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
68 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
68 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
69 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 1
69 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1j5j 1
70 1 . 1 . 1 1 7 7 CYS HB2 H . . . . 7 CYS HB2 rr_1j5j 1
70 1 . 2 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
71 1 . 1 . 1 1 7 7 CYS HB2 H . . . . 7 CYS HB2 rr_1j5j 1
71 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
72 1 . 1 . 1 1 7 7 CYS HB3 H . . . . 7 CYS HB3 rr_1j5j 1
72 1 . 2 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
73 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
73 1 . 2 . 1 1 8 8 SER HB2 H . . . . 8 SER HB2 rr_1j5j 1
74 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
74 1 . 2 . 1 1 8 8 SER HB3 H . . . . 8 SER HB3 rr_1j5j 1
75 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
75 1 . 2 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
76 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 1
76 1 . 2 . 1 1 12 12 GLN HE22 H . . . . 12 GLN HE22 rr_1j5j 1
77 1 . 1 . 1 1 8 8 SER HA H . . . . 8 SER HA rr_1j5j 1
77 1 . 2 . 1 1 8 8 SER HB2 H . . . . 8 SER HB2 rr_1j5j 1
78 1 . 1 . 1 1 8 8 SER HA H . . . . 8 SER HA rr_1j5j 1
78 1 . 2 . 1 1 8 8 SER HB3 H . . . . 8 SER HB3 rr_1j5j 1
79 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
79 1 . 2 . 1 1 9 9 GLU HB2 H . . . . 9 GLU HB2 rr_1j5j 1
80 2 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
80 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 9 GLU QG rr_1j5j 1
80 3 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
80 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 9 GLU QG rr_1j5j 1
81 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 1
81 1 . 2 . 1 1 12 12 GLN HB2 H . . . . 12 GLN HB2 rr_1j5j 1
82 1 . 1 . 1 1 9 9 GLU HA H . . . . 9 GLU HA rr_1j5j 1
82 1 . 2 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
83 1 . 1 . 1 1 9 9 GLU HA H . . . . 9 GLU HA rr_1j5j 1
83 1 . 2 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
84 1 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 GLU HB2 rr_1j5j 1
84 1 . 2 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
85 1 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 GLU HB2 rr_1j5j 1
85 1 . 2 . 1 1 11 11 TYR QD H . . . . 11 TYR QD rr_1j5j 1
86 2 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 GLU HB2 rr_1j5j 1
86 2 . 2 . 1 1 11 11 TYR HE2 H . . . . 11 TYR QE rr_1j5j 1
86 3 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 GLU HB2 rr_1j5j 1
86 3 . 2 . 1 1 11 11 TYR HE1 H . . . . 11 TYR QE rr_1j5j 1
87 1 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
87 1 . 2 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
88 1 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
88 1 . 2 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
89 1 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
89 1 . 2 . 1 1 11 11 TYR QD H . . . . 11 TYR QD rr_1j5j 1
90 2 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
90 2 . 2 . 1 1 11 11 TYR HE1 H . . . . 11 TYR QE rr_1j5j 1
90 3 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 1
90 3 . 2 . 1 1 11 11 TYR HE2 H . . . . 11 TYR QE rr_1j5j 1
91 1 . 1 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
91 1 . 2 . 1 1 10 10 SER HB2 H . . . . 10 SER HB2 rr_1j5j 1
92 1 . 1 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
92 1 . 2 . 1 1 10 10 SER HB3 H . . . . 10 SER HB3 rr_1j5j 1
93 1 . 1 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
93 1 . 2 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
94 1 . 1 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
94 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 28 CYS HB2 rr_1j5j 1
95 1 . 1 . 1 1 10 10 SER H H . . . . 10 SER HN rr_1j5j 1
95 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 28 CYS HB3 rr_1j5j 1
96 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
96 1 . 2 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
97 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
97 1 . 2 . 1 1 13 13 CYS HB2 H . . . . 13 CYS HB2 rr_1j5j 1
98 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
98 1 . 2 . 1 1 27 27 ARG HA H . . . . 27 ARG HA rr_1j5j 1
99 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
99 1 . 2 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
100 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
100 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 28 CYS HB2 rr_1j5j 1
101 1 . 1 . 1 1 10 10 SER HA H . . . . 10 SER HA rr_1j5j 1
101 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 28 CYS HB3 rr_1j5j 1
102 1 . 1 . 1 1 10 10 SER HB2 H . . . . 10 SER HB2 rr_1j5j 1
102 1 . 2 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
103 1 . 1 . 1 1 10 10 SER HB3 H . . . . 10 SER HB3 rr_1j5j 1
103 1 . 2 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
104 1 . 1 . 1 1 10 10 SER HB3 H . . . . 10 SER HB3 rr_1j5j 1
104 1 . 2 . 1 1 27 27 ARG HA H . . . . 27 ARG HA rr_1j5j 1
105 1 . 1 . 1 1 10 10 SER HB3 H . . . . 10 SER HB3 rr_1j5j 1
105 1 . 2 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
106 1 . 1 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
106 1 . 2 . 1 1 11 11 TYR HB2 H . . . . 11 TYR HB2 rr_1j5j 1
107 1 . 1 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
107 1 . 2 . 1 1 11 11 TYR HB3 H . . . . 11 TYR HB3 rr_1j5j 1
108 1 . 1 . 1 1 11 11 TYR H H . . . . 11 TYR HN rr_1j5j 1
108 1 . 2 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
109 1 . 1 . 1 1 11 11 TYR HA H . . . . 11 TYR HA rr_1j5j 1
109 1 . 2 . 1 1 11 11 TYR HB2 H . . . . 11 TYR HB2 rr_1j5j 1
110 1 . 1 . 1 1 11 11 TYR HA H . . . . 11 TYR HA rr_1j5j 1
110 1 . 2 . 1 1 11 11 TYR HB3 H . . . . 11 TYR HB3 rr_1j5j 1
111 1 . 1 . 1 1 11 11 TYR HA H . . . . 11 TYR HA rr_1j5j 1
111 1 . 2 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
112 1 . 1 . 1 1 11 11 TYR HA H . . . . 11 TYR HA rr_1j5j 1
112 1 . 2 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
113 1 . 1 . 1 1 11 11 TYR HA H . . . . 11 TYR HA rr_1j5j 1
113 1 . 2 . 1 1 14 14 PHE HB2 H . . . . 14 PHE HB2 rr_1j5j 1
114 1 . 1 . 1 1 11 11 TYR HB3 H . . . . 11 TYR HB3 rr_1j5j 1
114 1 . 2 . 1 1 14 14 PHE QD H . . . . 14 PHE QD rr_1j5j 1
115 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
115 1 . 2 . 1 1 12 12 GLN HB2 H . . . . 12 GLN HB2 rr_1j5j 1
116 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
116 1 . 2 . 1 1 12 12 GLN HB3 H . . . . 12 GLN HB3 rr_1j5j 1
117 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
117 1 . 2 . 1 1 12 12 GLN HG2 H . . . . 12 GLN HG2 rr_1j5j 1
118 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
118 1 . 2 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG3 rr_1j5j 1
119 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 1
119 1 . 2 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
120 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 1
120 1 . 2 . 1 1 12 12 GLN HB3 H . . . . 12 GLN HB3 rr_1j5j 1
121 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 1
121 1 . 2 . 1 1 12 12 GLN HG2 H . . . . 12 GLN HG2 rr_1j5j 1
122 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 1
122 1 . 2 . 1 1 12 12 GLN HG3 H . . . . 12 GLN HG3 rr_1j5j 1
123 2 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 1
123 2 . 2 . 1 1 15 15 PRO HG3 H . . . . 15 PRO QG rr_1j5j 1
123 3 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 1
123 3 . 2 . 1 1 15 15 PRO HG2 H . . . . 15 PRO QG rr_1j5j 1
124 1 . 1 . 1 1 12 12 GLN HB2 H . . . . 12 GLN HB2 rr_1j5j 1
124 1 . 2 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
125 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
125 1 . 2 . 1 1 13 13 CYS HB2 H . . . . 13 CYS HB2 rr_1j5j 1
126 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
126 1 . 2 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
127 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 1
127 1 . 2 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
128 1 . 1 . 1 1 13 13 CYS HA H . . . . 13 CYS HA rr_1j5j 1
128 1 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
129 1 . 1 . 1 1 13 13 CYS HA H . . . . 13 CYS HA rr_1j5j 1
129 1 . 2 . 1 1 16 16 VAL HB H . . . . 16 VAL HB rr_1j5j 1
130 1 . 1 . 1 1 13 13 CYS HA H . . . . 13 CYS HA rr_1j5j 1
130 1 . 2 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
131 1 . 1 . 1 1 13 13 CYS HA H . . . . 13 CYS HA rr_1j5j 1
131 1 . 2 . 1 1 16 16 VAL MG2 H . . . . 16 VAL QG2 rr_1j5j 1
132 1 . 1 . 1 1 13 13 CYS HA H . . . . 13 CYS HA rr_1j5j 1
132 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
133 1 . 1 . 1 1 13 13 CYS HB2 H . . . . 13 CYS HB2 rr_1j5j 1
133 1 . 2 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
134 1 . 1 . 1 1 13 13 CYS HB2 H . . . . 13 CYS HB2 rr_1j5j 1
134 1 . 2 . 1 1 26 26 GLY HA3 H . . . . 26 GLY HA2 rr_1j5j 1
135 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
135 1 . 2 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
136 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
136 1 . 2 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
137 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
137 1 . 2 . 1 1 26 26 GLY HA3 H . . . . 26 GLY HA2 rr_1j5j 1
138 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
138 1 . 2 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
139 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 1
139 1 . 2 . 1 1 28 28 CYS HA H . . . . 28 CYS HA rr_1j5j 1
140 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
140 1 . 2 . 1 1 14 14 PHE HB2 H . . . . 14 PHE HB2 rr_1j5j 1
141 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
141 1 . 2 . 1 1 14 14 PHE HB3 H . . . . 14 PHE HB3 rr_1j5j 1
142 2 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
142 2 . 2 . 1 1 15 15 PRO HG3 H . . . . 15 PRO QG rr_1j5j 1
142 3 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
142 3 . 2 . 1 1 15 15 PRO HG2 H . . . . 15 PRO QG rr_1j5j 1
143 2 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
143 2 . 2 . 1 1 15 15 PRO HD2 H . . . . 15 PRO QD rr_1j5j 1
143 3 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 1
143 3 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO QD rr_1j5j 1
144 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
144 1 . 2 . 1 1 14 14 PHE HB2 H . . . . 14 PHE HB2 rr_1j5j 1
145 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
145 1 . 2 . 1 1 14 14 PHE HB3 H . . . . 14 PHE HB3 rr_1j5j 1
146 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
146 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
147 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
147 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 17 CYS HB2 rr_1j5j 1
148 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
148 1 . 2 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
149 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 PHE HA rr_1j5j 1
149 1 . 2 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 1
150 2 . 1 . 1 1 14 14 PHE HB2 H . . . . 14 PHE HB2 rr_1j5j 1
150 2 . 2 . 1 1 15 15 PRO HD2 H . . . . 15 PRO QD rr_1j5j 1
150 3 . 1 . 1 1 14 14 PHE HB2 H . . . . 14 PHE HB2 rr_1j5j 1
150 3 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO QD rr_1j5j 1
151 2 . 1 . 1 1 14 14 PHE HB3 H . . . . 14 PHE HB3 rr_1j5j 1
151 2 . 2 . 1 1 15 15 PRO HD2 H . . . . 15 PRO QD rr_1j5j 1
151 3 . 1 . 1 1 14 14 PHE HB3 H . . . . 14 PHE HB3 rr_1j5j 1
151 3 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO QD rr_1j5j 1
152 1 . 1 . 1 1 15 15 PRO HA H . . . . 15 PRO HA rr_1j5j 1
152 1 . 2 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
153 2 . 1 . 1 1 15 15 PRO HA H . . . . 15 PRO HA rr_1j5j 1
153 2 . 2 . 1 1 18 18 LYS HB2 H . . . . 18 LYS QB rr_1j5j 1
153 3 . 1 . 1 1 15 15 PRO HA H . . . . 15 PRO HA rr_1j5j 1
153 3 . 2 . 1 1 18 18 LYS HB3 H . . . . 18 LYS QB rr_1j5j 1
154 1 . 1 . 1 1 15 15 PRO HB2 H . . . . 15 PRO HB2 rr_1j5j 1
154 1 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
155 1 . 1 . 1 1 15 15 PRO HB2 H . . . . 15 PRO HB2 rr_1j5j 1
155 1 . 2 . 1 1 16 16 VAL HA H . . . . 16 VAL HA rr_1j5j 1
156 2 . 1 . 1 1 15 15 PRO HG3 H . . . . 15 PRO QG rr_1j5j 1
156 2 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
156 3 . 1 . 1 1 15 15 PRO HG2 H . . . . 15 PRO QG rr_1j5j 1
156 3 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
157 2 . 1 . 1 1 15 15 PRO HD2 H . . . . 15 PRO QD rr_1j5j 1
157 2 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
157 3 . 1 . 1 1 15 15 PRO HD3 H . . . . 15 PRO QD rr_1j5j 1
157 3 . 2 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
158 1 . 1 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
158 1 . 2 . 1 1 16 16 VAL HB H . . . . 16 VAL HB rr_1j5j 1
159 1 . 1 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
159 1 . 2 . 1 1 16 16 VAL MG2 H . . . . 16 VAL QG2 rr_1j5j 1
160 1 . 1 . 1 1 16 16 VAL H H . . . . 16 VAL HN rr_1j5j 1
160 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
161 1 . 1 . 1 1 16 16 VAL HA H . . . . 16 VAL HA rr_1j5j 1
161 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
162 1 . 1 . 1 1 16 16 VAL HA H . . . . 16 VAL HA rr_1j5j 1
162 1 . 2 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
163 1 . 1 . 1 1 16 16 VAL HB H . . . . 16 VAL HB rr_1j5j 1
163 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
164 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
164 1 . 2 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
165 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
165 1 . 2 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
166 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
166 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 17 CYS HB2 rr_1j5j 1
167 2 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
167 2 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE QE rr_1j5j 1
167 3 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL QG1 rr_1j5j 1
167 3 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE QE rr_1j5j 1
168 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
168 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 17 CYS HB2 rr_1j5j 1
169 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
169 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 17 CYS HB3 rr_1j5j 1
170 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 1
170 1 . 2 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
171 1 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
171 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 17 CYS HB3 rr_1j5j 1
172 1 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
172 1 . 2 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
173 1 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
173 1 . 2 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
174 1 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
174 1 . 2 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
175 2 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
175 2 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE QD rr_1j5j 1
175 3 . 1 . 1 1 17 17 CYS HA H . . . . 17 CYS HA rr_1j5j 1
175 3 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE QD rr_1j5j 1
176 1 . 1 . 1 1 17 17 CYS HB2 H . . . . 17 CYS HB2 rr_1j5j 1
176 1 . 2 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
177 1 . 1 . 1 1 17 17 CYS HB2 H . . . . 17 CYS HB2 rr_1j5j 1
177 1 . 2 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
178 1 . 1 . 1 1 17 17 CYS HB3 H . . . . 17 CYS HB3 rr_1j5j 1
178 1 . 2 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
179 1 . 1 . 1 1 17 17 CYS HB3 H . . . . 17 CYS HB3 rr_1j5j 1
179 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
180 2 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
180 2 . 2 . 1 1 18 18 LYS HB2 H . . . . 18 LYS QB rr_1j5j 1
180 3 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
180 3 . 2 . 1 1 18 18 LYS HB3 H . . . . 18 LYS QB rr_1j5j 1
181 1 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 1
181 1 . 2 . 1 1 19 19 SER H H . . . . 19 SER HN rr_1j5j 1
182 1 . 1 . 1 1 18 18 LYS HA H . . . . 18 LYS HA rr_1j5j 1
182 1 . 2 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 1
183 1 . 1 . 1 1 18 18 LYS HA H . . . . 18 LYS HA rr_1j5j 1
183 1 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
184 2 . 1 . 1 1 18 18 LYS HB2 H . . . . 18 LYS QB rr_1j5j 1
184 2 . 2 . 1 1 19 19 SER H H . . . . 19 SER HN rr_1j5j 1
184 3 . 1 . 1 1 18 18 LYS HB3 H . . . . 18 LYS QB rr_1j5j 1
184 3 . 2 . 1 1 19 19 SER H H . . . . 19 SER HN rr_1j5j 1
185 2 . 1 . 1 1 18 18 LYS HB2 H . . . . 18 LYS QB rr_1j5j 1
185 2 . 2 . 1 1 24 24 THR HA H . . . . 24 THR HA rr_1j5j 1
185 3 . 1 . 1 1 18 18 LYS HB3 H . . . . 18 LYS QB rr_1j5j 1
185 3 . 2 . 1 1 24 24 THR HA H . . . . 24 THR HA rr_1j5j 1
186 1 . 1 . 1 1 19 19 SER H H . . . . 19 SER HN rr_1j5j 1
186 1 . 2 . 1 1 19 19 SER HA H . . . . 19 SER HA rr_1j5j 1
187 1 . 1 . 1 1 19 19 SER H H . . . . 19 SER HN rr_1j5j 1
187 1 . 2 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
188 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
188 1 . 2 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
189 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
189 1 . 2 . 1 1 20 20 ARG HB3 H . . . . 20 ARG HB3 rr_1j5j 1
190 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
190 1 . 2 . 1 1 20 20 ARG HG2 H . . . . 20 ARG HG2 rr_1j5j 1
191 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
191 1 . 2 . 1 1 20 20 ARG HG3 H . . . . 20 ARG HG3 rr_1j5j 1
192 2 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
192 2 . 2 . 1 1 20 20 ARG HG2 H . . . . 20 ARG QG rr_1j5j 1
192 3 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
192 3 . 2 . 1 1 20 20 ARG HG3 H . . . . 20 ARG QG rr_1j5j 1
193 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
193 1 . 2 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
194 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 1
194 1 . 2 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 1
195 1 . 1 . 1 1 20 20 ARG HA H . . . . 20 ARG HA rr_1j5j 1
195 1 . 2 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
196 2 . 1 . 1 1 20 20 ARG HA H . . . . 20 ARG HA rr_1j5j 1
196 2 . 2 . 1 1 20 20 ARG HD2 H . . . . 20 ARG QD rr_1j5j 1
196 3 . 1 . 1 1 20 20 ARG HA H . . . . 20 ARG HA rr_1j5j 1
196 3 . 2 . 1 1 20 20 ARG HD3 H . . . . 20 ARG QD rr_1j5j 1
197 2 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
197 2 . 2 . 1 1 20 20 ARG HG2 H . . . . 20 ARG QG rr_1j5j 1
197 3 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
197 3 . 2 . 1 1 20 20 ARG HG3 H . . . . 20 ARG QG rr_1j5j 1
198 1 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
198 1 . 2 . 1 1 20 20 ARG HE H . . . . 20 ARG HE rr_1j5j 1
199 1 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
199 1 . 2 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
200 2 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
200 2 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE QD rr_1j5j 1
200 3 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
200 3 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE QD rr_1j5j 1
201 2 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
201 2 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE QE rr_1j5j 1
201 3 . 1 . 1 1 20 20 ARG HB2 H . . . . 20 ARG HB2 rr_1j5j 1
201 3 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE QE rr_1j5j 1
202 1 . 1 . 1 1 20 20 ARG HB3 H . . . . 20 ARG HB3 rr_1j5j 1
202 1 . 2 . 1 1 20 20 ARG HE H . . . . 20 ARG HE rr_1j5j 1
203 1 . 1 . 1 1 20 20 ARG HB3 H . . . . 20 ARG HB3 rr_1j5j 1
203 1 . 2 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
204 2 . 1 . 1 1 20 20 ARG HB3 H . . . . 20 ARG HB3 rr_1j5j 1
204 2 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE QD rr_1j5j 1
204 3 . 1 . 1 1 20 20 ARG HB3 H . . . . 20 ARG HB3 rr_1j5j 1
204 3 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE QD rr_1j5j 1
205 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
205 1 . 2 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
206 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
206 1 . 2 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 1
207 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
207 1 . 2 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 1
208 2 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
208 2 . 2 . 1 1 22 22 GLY HA2 H . . . . 22 GLY QA rr_1j5j 1
208 3 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 1
208 3 . 2 . 1 1 22 22 GLY HA3 H . . . . 22 GLY QA rr_1j5j 1
209 1 . 1 . 1 1 21 21 PHE HA H . . . . 21 PHE HA rr_1j5j 1
209 1 . 2 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 1
210 1 . 1 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
210 1 . 2 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 1
211 1 . 1 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
211 1 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
212 2 . 1 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
212 2 . 2 . 1 1 23 23 LYS HG2 H . . . . 23 LYS QG rr_1j5j 1
212 3 . 1 . 1 1 21 21 PHE HB2 H . . . . 21 PHE HB2 rr_1j5j 1
212 3 . 2 . 1 1 23 23 LYS HG3 H . . . . 23 LYS QG rr_1j5j 1
213 1 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 1
213 1 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
214 2 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 1
214 2 . 2 . 1 1 23 23 LYS HG2 H . . . . 23 LYS QG rr_1j5j 1
214 3 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 1
214 3 . 2 . 1 1 23 23 LYS HG3 H . . . . 23 LYS QG rr_1j5j 1
215 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 1
215 1 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
216 2 . 1 . 1 1 22 22 GLY HA2 H . . . . 22 GLY QA rr_1j5j 1
216 2 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
216 3 . 1 . 1 1 22 22 GLY HA3 H . . . . 22 GLY QA rr_1j5j 1
216 3 . 2 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
217 1 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
217 1 . 2 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
218 1 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
218 1 . 2 . 1 1 23 23 LYS HB3 H . . . . 23 LYS HB3 rr_1j5j 1
219 1 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
219 1 . 2 . 1 1 23 23 LYS HG2 H . . . . 23 LYS HG2 rr_1j5j 1
220 1 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
220 1 . 2 . 1 1 23 23 LYS HG3 H . . . . 23 LYS HG3 rr_1j5j 1
221 2 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
221 2 . 2 . 1 1 23 23 LYS HG2 H . . . . 23 LYS QG rr_1j5j 1
221 3 . 1 . 1 1 23 23 LYS H H . . . . 23 LYS HN rr_1j5j 1
221 3 . 2 . 1 1 23 23 LYS HG3 H . . . . 23 LYS QG rr_1j5j 1
222 2 . 1 . 1 1 23 23 LYS HA H . . . . 23 LYS HA rr_1j5j 1
222 2 . 2 . 1 1 23 23 LYS HD3 H . . . . 23 LYS QD rr_1j5j 1
222 3 . 1 . 1 1 23 23 LYS HA H . . . . 23 LYS HA rr_1j5j 1
222 3 . 2 . 1 1 23 23 LYS HD2 H . . . . 23 LYS QD rr_1j5j 1
223 1 . 1 . 1 1 23 23 LYS HA H . . . . 23 LYS HA rr_1j5j 1
223 1 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
224 2 . 1 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
224 2 . 2 . 1 1 23 23 LYS HD3 H . . . . 23 LYS QD rr_1j5j 1
224 3 . 1 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
224 3 . 2 . 1 1 23 23 LYS HD2 H . . . . 23 LYS QD rr_1j5j 1
225 1 . 1 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
225 1 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
226 1 . 1 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
226 1 . 2 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 1
227 1 . 1 . 1 1 23 23 LYS HB2 H . . . . 23 LYS HB2 rr_1j5j 1
227 1 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
228 1 . 1 . 1 1 23 23 LYS HB3 H . . . . 23 LYS HB3 rr_1j5j 1
228 1 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
229 1 . 1 . 1 1 23 23 LYS HB3 H . . . . 23 LYS HB3 rr_1j5j 1
229 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
230 1 . 1 . 1 1 23 23 LYS HB3 H . . . . 23 LYS HB3 rr_1j5j 1
230 1 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
231 1 . 1 . 1 1 23 23 LYS HB3 H . . . . 23 LYS HB3 rr_1j5j 1
231 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
232 1 . 1 . 1 1 23 23 LYS HG2 H . . . . 23 LYS HG2 rr_1j5j 1
232 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
233 1 . 1 . 1 1 23 23 LYS HG3 H . . . . 23 LYS HG3 rr_1j5j 1
233 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
234 2 . 1 . 1 1 23 23 LYS HG2 H . . . . 23 LYS QG rr_1j5j 1
234 2 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
234 3 . 1 . 1 1 23 23 LYS HG3 H . . . . 23 LYS QG rr_1j5j 1
234 3 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
235 2 . 1 . 1 1 23 23 LYS HG2 H . . . . 23 LYS QG rr_1j5j 1
235 2 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
235 3 . 1 . 1 1 23 23 LYS HG3 H . . . . 23 LYS QG rr_1j5j 1
235 3 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
236 2 . 1 . 1 1 23 23 LYS HD3 H . . . . 23 LYS QD rr_1j5j 1
236 2 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
236 3 . 1 . 1 1 23 23 LYS HD2 H . . . . 23 LYS QD rr_1j5j 1
236 3 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
237 1 . 1 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
237 1 . 2 . 1 1 24 24 THR HB H . . . . 24 THR HB rr_1j5j 1
238 1 . 1 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
238 1 . 2 . 1 1 24 24 THR MG H . . . . 24 THR QG2 rr_1j5j 1
239 1 . 1 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 1
239 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
240 1 . 1 . 1 1 24 24 THR HA H . . . . 24 THR HA rr_1j5j 1
240 1 . 2 . 1 1 24 24 THR HB H . . . . 24 THR HB rr_1j5j 1
241 1 . 1 . 1 1 24 24 THR HA H . . . . 24 THR HA rr_1j5j 1
241 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
242 1 . 1 . 1 1 24 24 THR HB H . . . . 24 THR HB rr_1j5j 1
242 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
243 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR QG2 rr_1j5j 1
243 1 . 2 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
244 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
244 1 . 2 . 1 1 25 25 ASN HB2 H . . . . 25 ASN HB2 rr_1j5j 1
245 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
245 1 . 2 . 1 1 25 25 ASN HB3 H . . . . 25 ASN HB3 rr_1j5j 1
246 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
246 1 . 2 . 1 1 25 25 ASN HD21 H . . . . 25 ASN HD21 rr_1j5j 1
247 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 1
247 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
248 1 . 1 . 1 1 25 25 ASN HA H . . . . 25 ASN HA rr_1j5j 1
248 1 . 2 . 1 1 25 25 ASN HB2 H . . . . 25 ASN HB2 rr_1j5j 1
249 1 . 1 . 1 1 25 25 ASN HA H . . . . 25 ASN HA rr_1j5j 1
249 1 . 2 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 1
250 1 . 1 . 1 1 25 25 ASN HB3 H . . . . 25 ASN HB3 rr_1j5j 1
250 1 . 2 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 1
251 1 . 1 . 1 1 25 25 ASN HB3 H . . . . 25 ASN HB3 rr_1j5j 1
251 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
252 1 . 1 . 1 1 25 25 ASN HB3 H . . . . 25 ASN HB3 rr_1j5j 1
252 1 . 2 . 1 1 36 36 PHE QD H . . . . 36 PHE QD rr_1j5j 1
253 1 . 1 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 1
253 1 . 2 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
254 1 . 1 . 1 1 26 26 GLY HA2 H . . . . 26 GLY HA1 rr_1j5j 1
254 1 . 2 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
255 1 . 1 . 1 1 26 26 GLY HA2 H . . . . 26 GLY HA1 rr_1j5j 1
255 1 . 2 . 1 1 35 35 CYS HA H . . . . 35 CYS HA rr_1j5j 1
256 1 . 1 . 1 1 26 26 GLY HA2 H . . . . 26 GLY HA1 rr_1j5j 1
256 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
257 1 . 1 . 1 1 26 26 GLY HA3 H . . . . 26 GLY HA2 rr_1j5j 1
257 1 . 2 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
258 1 . 1 . 1 1 26 26 GLY HA3 H . . . . 26 GLY HA2 rr_1j5j 1
258 1 . 2 . 1 1 35 35 CYS HA H . . . . 35 CYS HA rr_1j5j 1
259 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
259 1 . 2 . 1 1 33 33 CYS HA H . . . . 33 CYS HA rr_1j5j 1
260 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
260 1 . 2 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
261 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
261 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
262 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
262 1 . 2 . 1 1 34 34 ASP HB3 H . . . . 34 ASP HB3 rr_1j5j 1
263 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
263 1 . 2 . 1 1 35 35 CYS HA H . . . . 35 CYS HA rr_1j5j 1
264 2 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
264 2 . 2 . 1 1 36 36 PHE HE1 H . . . . 36 PHE QE rr_1j5j 1
264 3 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 1
264 3 . 2 . 1 1 36 36 PHE HE2 H . . . . 36 PHE QE rr_1j5j 1
265 2 . 1 . 1 1 27 27 ARG HA H . . . . 27 ARG HA rr_1j5j 1
265 2 . 2 . 1 1 27 27 ARG HD2 H . . . . 27 ARG QD rr_1j5j 1
265 3 . 1 . 1 1 27 27 ARG HA H . . . . 27 ARG HA rr_1j5j 1
265 3 . 2 . 1 1 27 27 ARG HD3 H . . . . 27 ARG QD rr_1j5j 1
266 1 . 1 . 1 1 27 27 ARG HA H . . . . 27 ARG HA rr_1j5j 1
266 1 . 2 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
267 2 . 1 . 1 1 27 27 ARG HB2 H . . . . 27 ARG QB rr_1j5j 1
267 2 . 2 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
267 3 . 1 . 1 1 27 27 ARG HB3 H . . . . 27 ARG QB rr_1j5j 1
267 3 . 2 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
268 2 . 1 . 1 1 27 27 ARG HB3 H . . . . 27 ARG QB rr_1j5j 1
268 2 . 2 . 1 1 36 36 PHE HE1 H . . . . 36 PHE QE rr_1j5j 1
268 3 . 1 . 1 1 27 27 ARG HB3 H . . . . 27 ARG QB rr_1j5j 1
268 3 . 2 . 1 1 36 36 PHE HE2 H . . . . 36 PHE QE rr_1j5j 1
268 4 . 1 . 1 1 27 27 ARG HB2 H . . . . 27 ARG QB rr_1j5j 1
268 4 . 2 . 1 1 36 36 PHE HE2 H . . . . 36 PHE QE rr_1j5j 1
268 5 . 1 . 1 1 27 27 ARG HB2 H . . . . 27 ARG QB rr_1j5j 1
268 5 . 2 . 1 1 36 36 PHE HE1 H . . . . 36 PHE QE rr_1j5j 1
269 1 . 1 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
269 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 28 CYS HB2 rr_1j5j 1
270 1 . 1 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
270 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 28 CYS HB3 rr_1j5j 1
271 1 . 1 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 1
271 1 . 2 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
272 1 . 1 . 1 1 28 28 CYS HA H . . . . 28 CYS HA rr_1j5j 1
272 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 28 CYS HB2 rr_1j5j 1
273 1 . 1 . 1 1 28 28 CYS HA H . . . . 28 CYS HA rr_1j5j 1
273 1 . 2 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 1
274 1 . 1 . 1 1 28 28 CYS HA H . . . . 28 CYS HA rr_1j5j 1
274 1 . 2 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
275 1 . 1 . 1 1 28 28 CYS HA H . . . . 28 CYS HA rr_1j5j 1
275 1 . 2 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
276 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 1
276 1 . 2 . 1 1 29 29 VAL HB H . . . . 29 VAL HB rr_1j5j 1
277 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 1
277 1 . 2 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
278 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 1
278 1 . 2 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
279 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 1
279 1 . 2 . 1 1 33 33 CYS HA H . . . . 33 CYS HA rr_1j5j 1
280 1 . 1 . 1 1 29 29 VAL HA H . . . . 29 VAL HA rr_1j5j 1
280 1 . 2 . 1 1 30 30 ASN H H . . . . 30 ASN HN rr_1j5j 1
281 1 . 1 . 1 1 29 29 VAL HA H . . . . 29 VAL HA rr_1j5j 1
281 1 . 2 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
282 1 . 1 . 1 1 29 29 VAL HB H . . . . 29 VAL HB rr_1j5j 1
282 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
283 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL QG1 rr_1j5j 1
283 1 . 2 . 1 1 30 30 ASN H H . . . . 30 ASN HN rr_1j5j 1
284 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL QG1 rr_1j5j 1
284 1 . 2 . 1 1 30 30 ASN HB2 H . . . . 30 ASN HB2 rr_1j5j 1
285 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL QG1 rr_1j5j 1
285 1 . 2 . 1 1 30 30 ASN HD21 H . . . . 30 ASN HD21 rr_1j5j 1
286 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL QG1 rr_1j5j 1
286 1 . 2 . 1 1 30 30 ASN HD22 H . . . . 30 ASN HD22 rr_1j5j 1
287 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL QG1 rr_1j5j 1
287 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
288 1 . 1 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
288 1 . 2 . 1 1 30 30 ASN H H . . . . 30 ASN HN rr_1j5j 1
289 1 . 1 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
289 1 . 2 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
290 1 . 1 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
290 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
291 1 . 1 . 1 1 29 29 VAL MG2 H . . . . 29 VAL QG2 rr_1j5j 1
291 1 . 2 . 1 1 34 34 ASP HB3 H . . . . 34 ASP HB3 rr_1j5j 1
292 1 . 1 . 1 1 30 30 ASN H H . . . . 30 ASN HN rr_1j5j 1
292 1 . 2 . 1 1 30 30 ASN HA H . . . . 30 ASN HA rr_1j5j 1
293 1 . 1 . 1 1 30 30 ASN H H . . . . 30 ASN HN rr_1j5j 1
293 1 . 2 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
294 1 . 1 . 1 1 30 30 ASN HA H . . . . 30 ASN HA rr_1j5j 1
294 1 . 2 . 1 1 30 30 ASN HB3 H . . . . 30 ASN HB3 rr_1j5j 1
295 1 . 1 . 1 1 30 30 ASN HA H . . . . 30 ASN HA rr_1j5j 1
295 1 . 2 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
296 1 . 1 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
296 1 . 2 . 1 1 31 31 GLY HA2 H . . . . 31 GLY HA1 rr_1j5j 1
297 1 . 1 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
297 1 . 2 . 1 1 31 31 GLY HA3 H . . . . 31 GLY HA2 rr_1j5j 1
298 1 . 1 . 1 1 31 31 GLY H H . . . . 31 GLY HN rr_1j5j 1
298 1 . 2 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
299 1 . 1 . 1 1 31 31 GLY HA2 H . . . . 31 GLY HA1 rr_1j5j 1
299 1 . 2 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
300 1 . 1 . 1 1 31 31 GLY HA3 H . . . . 31 GLY HA2 rr_1j5j 1
300 1 . 2 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
301 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
301 1 . 2 . 1 1 32 32 PHE HB2 H . . . . 32 PHE HB2 rr_1j5j 1
302 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
302 1 . 2 . 1 1 32 32 PHE HB3 H . . . . 32 PHE HB3 rr_1j5j 1
303 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 1
303 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
304 1 . 1 . 1 1 32 32 PHE HA H . . . . 32 PHE HA rr_1j5j 1
304 1 . 2 . 1 1 32 32 PHE HB3 H . . . . 32 PHE HB3 rr_1j5j 1
305 1 . 1 . 1 1 32 32 PHE HA H . . . . 32 PHE HA rr_1j5j 1
305 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
306 1 . 1 . 1 1 32 32 PHE HB2 H . . . . 32 PHE HB2 rr_1j5j 1
306 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
307 1 . 1 . 1 1 32 32 PHE HB3 H . . . . 32 PHE HB3 rr_1j5j 1
307 1 . 2 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
308 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
308 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 1
309 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 1
309 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 1
310 1 . 1 . 1 1 33 33 CYS HA H . . . . 33 CYS HA rr_1j5j 1
310 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 1
311 1 . 1 . 1 1 33 33 CYS HA H . . . . 33 CYS HA rr_1j5j 1
311 1 . 2 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
312 1 . 1 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 1
312 1 . 2 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
313 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
313 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
314 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 1
314 1 . 2 . 1 1 34 34 ASP HB3 H . . . . 34 ASP HB3 rr_1j5j 1
315 1 . 1 . 1 1 34 34 ASP HA H . . . . 34 ASP HA rr_1j5j 1
315 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 1
316 1 . 1 . 1 1 34 34 ASP HA H . . . . 34 ASP HA rr_1j5j 1
316 1 . 2 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 1
317 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 1
317 1 . 2 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 1
318 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 1
318 1 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
319 1 . 1 . 1 1 35 35 CYS HA H . . . . 35 CYS HA rr_1j5j 1
319 1 . 2 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
320 1 . 1 . 1 1 35 35 CYS HA H . . . . 35 CYS HA rr_1j5j 1
320 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
321 1 . 1 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 1
321 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
322 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 CYS HB3 rr_1j5j 1
322 1 . 2 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
323 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
323 1 . 2 . 1 1 36 36 PHE HB2 H . . . . 36 PHE HB2 rr_1j5j 1
324 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 1
324 1 . 2 . 1 1 36 36 PHE HB3 H . . . . 36 PHE HB3 rr_1j5j 1
325 1 . 1 . 1 1 36 36 PHE HA H . . . . 36 PHE HA rr_1j5j 1
325 1 . 2 . 1 1 36 36 PHE HB2 H . . . . 36 PHE HB2 rr_1j5j 1
326 1 . 1 . 1 1 36 36 PHE HA H . . . . 36 PHE HA rr_1j5j 1
326 1 . 2 . 1 1 36 36 PHE HB3 H . . . . 36 PHE HB3 rr_1j5j 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 . . . . . . . . 3.08 rr_1j5j 1
2 1 . . . . . . . . 2.62 rr_1j5j 1
3 2 . . . . . . . . 4.14 rr_1j5j 1
3 3 . . . . . . . . 4.14 rr_1j5j 1
4 2 . . . . . . . . 5.01 rr_1j5j 1
4 3 . . . . . . . . 5.01 rr_1j5j 1
5 1 . . . . . . . . 2.59 rr_1j5j 1
6 1 . . . . . . . . 2.80 rr_1j5j 1
7 1 . . . . . . . . 4.07 rr_1j5j 1
8 1 . . . . . . . . 3.48 rr_1j5j 1
9 1 . . . . . . . . 6.53 rr_1j5j 1
10 1 . . . . . . . . 3.76 rr_1j5j 1
11 1 . . . . . . . . 4.48 rr_1j5j 1
12 1 . . . . . . . . 4.17 rr_1j5j 1
13 1 . . . . . . . . 3.55 rr_1j5j 1
14 1 . . . . . . . . 3.21 rr_1j5j 1
15 1 . . . . . . . . 2.46 rr_1j5j 1
16 1 . . . . . . . . 3.05 rr_1j5j 1
17 2 . . . . . . . . 5.85 rr_1j5j 1
17 3 . . . . . . . . 5.85 rr_1j5j 1
18 1 . . . . . . . . 6.43 rr_1j5j 1
19 1 . . . . . . . . 5.47 rr_1j5j 1
20 1 . . . . . . . . 5.60 rr_1j5j 1
21 1 . . . . . . . . 6.53 rr_1j5j 1
22 2 . . . . . . . . 8.65 rr_1j5j 1
22 3 . . . . . . . . 8.65 rr_1j5j 1
23 1 . . . . . . . . 5.91 rr_1j5j 1
24 1 . . . . . . . . 5.72 rr_1j5j 1
25 1 . . . . . . . . 5.26 rr_1j5j 1
26 1 . . . . . . . . 5.60 rr_1j5j 1
27 1 . . . . . . . . 3.76 rr_1j5j 1
28 1 . . . . . . . . 3.21 rr_1j5j 1
29 1 . . . . . . . . 3.08 rr_1j5j 1
30 1 . . . . . . . . 6.53 rr_1j5j 1
31 1 . . . . . . . . 2.68 rr_1j5j 1
32 1 . . . . . . . . 3.61 rr_1j5j 1
33 1 . . . . . . . . 3.61 rr_1j5j 1
34 2 . . . . . . . . 3.33 rr_1j5j 1
34 3 . . . . . . . . 3.33 rr_1j5j 1
35 1 . . . . . . . . 6.53 rr_1j5j 1
36 2 . . . . . . . . 6.82 rr_1j5j 1
36 3 . . . . . . . . 6.82 rr_1j5j 1
37 1 . . . . . . . . 4.04 rr_1j5j 1
38 1 . . . . . . . . 5.50 rr_1j5j 1
39 1 . . . . . . . . 4.11 rr_1j5j 1
40 1 . . . . . . . . 4.11 rr_1j5j 1
41 2 . . . . . . . . 3.71 rr_1j5j 1
41 3 . . . . . . . . 3.71 rr_1j5j 1
42 1 . . . . . . . . 2.40 rr_1j5j 1
43 1 . . . . . . . . 4.04 rr_1j5j 1
44 1 . . . . . . . . 2.93 rr_1j5j 1
45 1 . . . . . . . . 4.91 rr_1j5j 1
46 1 . . . . . . . . 4.30 rr_1j5j 1
47 1 . . . . . . . . 6.53 rr_1j5j 1
48 1 . . . . . . . . 6.53 rr_1j5j 1
49 1 . . . . . . . . 4.67 rr_1j5j 1
50 2 . . . . . . . . 5.14 rr_1j5j 1
50 3 . . . . . . . . 5.14 rr_1j5j 1
51 2 . . . . . . . . 6.45 rr_1j5j 1
51 3 . . . . . . . . 6.45 rr_1j5j 1
52 1 . . . . . . . . 6.56 rr_1j5j 1
53 1 . . . . . . . . 5.72 rr_1j5j 1
54 2 . . . . . . . . 3.71 rr_1j5j 1
54 3 . . . . . . . . 3.71 rr_1j5j 1
55 1 . . . . . . . . 2.40 rr_1j5j 1
56 1 . . . . . . . . 2.71 rr_1j5j 1
57 2 . . . . . . . . 6.54 rr_1j5j 1
57 3 . . . . . . . . 6.54 rr_1j5j 1
58 1 . . . . . . . . 4.01 rr_1j5j 1
59 2 . . . . . . . . 4.21 rr_1j5j 1
59 3 . . . . . . . . 4.21 rr_1j5j 1
60 1 . . . . . . . . 4.14 rr_1j5j 1
61 1 . . . . . . . . 3.83 rr_1j5j 1
62 1 . . . . . . . . 3.95 rr_1j5j 1
63 1 . . . . . . . . 4.57 rr_1j5j 1
64 1 . . . . . . . . 3.21 rr_1j5j 1
65 1 . . . . . . . . 2.59 rr_1j5j 1
66 1 . . . . . . . . 2.62 rr_1j5j 1
67 1 . . . . . . . . 2.59 rr_1j5j 1
68 1 . . . . . . . . 3.73 rr_1j5j 1
69 1 . . . . . . . . 5.50 rr_1j5j 1
70 1 . . . . . . . . 3.27 rr_1j5j 1
71 1 . . . . . . . . 3.17 rr_1j5j 1
72 1 . . . . . . . . 4.29 rr_1j5j 1
73 1 . . . . . . . . 4.14 rr_1j5j 1
74 1 . . . . . . . . 3.79 rr_1j5j 1
75 1 . . . . . . . . 2.49 rr_1j5j 1
76 1 . . . . . . . . 5.28 rr_1j5j 1
77 1 . . . . . . . . 2.83 rr_1j5j 1
78 1 . . . . . . . . 2.86 rr_1j5j 1
79 1 . . . . . . . . 3.36 rr_1j5j 1
80 2 . . . . . . . . 6.19 rr_1j5j 1
80 3 . . . . . . . . 6.19 rr_1j5j 1
81 1 . . . . . . . . 5.44 rr_1j5j 1
82 1 . . . . . . . . 2.83 rr_1j5j 1
83 1 . . . . . . . . 2.62 rr_1j5j 1
84 1 . . . . . . . . 4.07 rr_1j5j 1
85 1 . . . . . . . . 6.52 rr_1j5j 1
86 2 . . . . . . . . 6.64 rr_1j5j 1
86 3 . . . . . . . . 6.64 rr_1j5j 1
87 1 . . . . . . . . 3.52 rr_1j5j 1
88 1 . . . . . . . . 3.58 rr_1j5j 1
89 1 . . . . . . . . 6.46 rr_1j5j 1
90 2 . . . . . . . . 6.92 rr_1j5j 1
90 3 . . . . . . . . 6.92 rr_1j5j 1
91 1 . . . . . . . . 2.99 rr_1j5j 1
92 1 . . . . . . . . 3.70 rr_1j5j 1
93 1 . . . . . . . . 3.55 rr_1j5j 1
94 1 . . . . . . . . 5.50 rr_1j5j 1
95 1 . . . . . . . . 5.44 rr_1j5j 1
96 1 . . . . . . . . 4.14 rr_1j5j 1
97 1 . . . . . . . . 4.38 rr_1j5j 1
98 1 . . . . . . . . 3.92 rr_1j5j 1
99 1 . . . . . . . . 2.93 rr_1j5j 1
100 1 . . . . . . . . 2.62 rr_1j5j 1
101 1 . . . . . . . . 3.64 rr_1j5j 1
102 1 . . . . . . . . 5.50 rr_1j5j 1
103 1 . . . . . . . . 4.29 rr_1j5j 1
104 1 . . . . . . . . 3.14 rr_1j5j 1
105 1 . . . . . . . . 4.35 rr_1j5j 1
106 1 . . . . . . . . 3.39 rr_1j5j 1
107 1 . . . . . . . . 2.83 rr_1j5j 1
108 1 . . . . . . . . 3.33 rr_1j5j 1
109 1 . . . . . . . . 2.59 rr_1j5j 1
110 1 . . . . . . . . 2.71 rr_1j5j 1
111 1 . . . . . . . . 4.42 rr_1j5j 1
112 1 . . . . . . . . 4.76 rr_1j5j 1
113 1 . . . . . . . . 4.51 rr_1j5j 1
114 1 . . . . . . . . 6.85 rr_1j5j 1
115 1 . . . . . . . . 2.86 rr_1j5j 1
116 1 . . . . . . . . 3.79 rr_1j5j 1
117 1 . . . . . . . . 4.23 rr_1j5j 1
118 1 . . . . . . . . 3.39 rr_1j5j 1
119 1 . . . . . . . . 2.96 rr_1j5j 1
120 1 . . . . . . . . 3.05 rr_1j5j 1
121 1 . . . . . . . . 3.86 rr_1j5j 1
122 1 . . . . . . . . 3.76 rr_1j5j 1
123 2 . . . . . . . . 6.38 rr_1j5j 1
123 3 . . . . . . . . 6.38 rr_1j5j 1
124 1 . . . . . . . . 4.42 rr_1j5j 1
125 1 . . . . . . . . 2.83 rr_1j5j 1
126 1 . . . . . . . . 3.61 rr_1j5j 1
127 1 . . . . . . . . 2.86 rr_1j5j 1
128 1 . . . . . . . . 4.29 rr_1j5j 1
129 1 . . . . . . . . 3.76 rr_1j5j 1
130 1 . . . . . . . . 5.63 rr_1j5j 1
131 1 . . . . . . . . 5.91 rr_1j5j 1
132 1 . . . . . . . . 4.38 rr_1j5j 1
133 1 . . . . . . . . 3.67 rr_1j5j 1
134 1 . . . . . . . . 4.29 rr_1j5j 1
135 1 . . . . . . . . 4.63 rr_1j5j 1
136 1 . . . . . . . . 4.64 rr_1j5j 1
137 1 . . . . . . . . 3.92 rr_1j5j 1
138 1 . . . . . . . . 5.50 rr_1j5j 1
139 1 . . . . . . . . 5.50 rr_1j5j 1
140 1 . . . . . . . . 3.24 rr_1j5j 1
141 1 . . . . . . . . 2.90 rr_1j5j 1
142 2 . . . . . . . . 6.38 rr_1j5j 1
142 3 . . . . . . . . 6.38 rr_1j5j 1
143 2 . . . . . . . . 4.98 rr_1j5j 1
143 3 . . . . . . . . 4.98 rr_1j5j 1
144 1 . . . . . . . . 2.83 rr_1j5j 1
145 1 . . . . . . . . 2.99 rr_1j5j 1
146 1 . . . . . . . . 4.42 rr_1j5j 1
147 1 . . . . . . . . 3.92 rr_1j5j 1
148 1 . . . . . . . . 5.07 rr_1j5j 1
149 1 . . . . . . . . 4.82 rr_1j5j 1
150 2 . . . . . . . . 4.52 rr_1j5j 1
150 3 . . . . . . . . 4.52 rr_1j5j 1
151 2 . . . . . . . . 4.21 rr_1j5j 1
151 3 . . . . . . . . 4.21 rr_1j5j 1
152 1 . . . . . . . . 3.86 rr_1j5j 1
153 2 . . . . . . . . 4.83 rr_1j5j 1
153 3 . . . . . . . . 4.83 rr_1j5j 1
154 1 . . . . . . . . 3.39 rr_1j5j 1
155 1 . . . . . . . . 4.63 rr_1j5j 1
156 2 . . . . . . . . 5.45 rr_1j5j 1
156 3 . . . . . . . . 5.45 rr_1j5j 1
157 2 . . . . . . . . 5.11 rr_1j5j 1
157 3 . . . . . . . . 5.11 rr_1j5j 1
158 1 . . . . . . . . 2.96 rr_1j5j 1
159 1 . . . . . . . . 4.76 rr_1j5j 1
160 1 . . . . . . . . 2.90 rr_1j5j 1
161 1 . . . . . . . . 3.58 rr_1j5j 1
162 1 . . . . . . . . 4.20 rr_1j5j 1
163 1 . . . . . . . . 3.21 rr_1j5j 1
164 1 . . . . . . . . 5.26 rr_1j5j 1
165 1 . . . . . . . . 5.94 rr_1j5j 1
166 1 . . . . . . . . 6.53 rr_1j5j 1
167 2 . . . . . . . . 6.98 rr_1j5j 1
167 3 . . . . . . . . 6.98 rr_1j5j 1
168 1 . . . . . . . . 2.65 rr_1j5j 1
169 1 . . . . . . . . 3.52 rr_1j5j 1
170 1 . . . . . . . . 2.93 rr_1j5j 1
171 1 . . . . . . . . 2.90 rr_1j5j 1
172 1 . . . . . . . . 4.26 rr_1j5j 1
173 1 . . . . . . . . 3.76 rr_1j5j 1
174 1 . . . . . . . . 3.45 rr_1j5j 1
175 2 . . . . . . . . 5.48 rr_1j5j 1
175 3 . . . . . . . . 5.48 rr_1j5j 1
176 1 . . . . . . . . 3.08 rr_1j5j 1
177 1 . . . . . . . . 4.23 rr_1j5j 1
178 1 . . . . . . . . 4.11 rr_1j5j 1
179 1 . . . . . . . . 5.50 rr_1j5j 1
180 2 . . . . . . . . 3.68 rr_1j5j 1
180 3 . . . . . . . . 3.68 rr_1j5j 1
181 1 . . . . . . . . 2.96 rr_1j5j 1
182 1 . . . . . . . . 3.58 rr_1j5j 1
183 1 . . . . . . . . 2.80 rr_1j5j 1
184 2 . . . . . . . . 3.99 rr_1j5j 1
184 3 . . . . . . . . 3.99 rr_1j5j 1
185 2 . . . . . . . . 6.38 rr_1j5j 1
185 3 . . . . . . . . 6.38 rr_1j5j 1
186 1 . . . . . . . . 2.90 rr_1j5j 1
187 1 . . . . . . . . 2.96 rr_1j5j 1
188 1 . . . . . . . . 3.58 rr_1j5j 1
189 1 . . . . . . . . 2.86 rr_1j5j 1
190 1 . . . . . . . . 5.28 rr_1j5j 1
191 1 . . . . . . . . 5.28 rr_1j5j 1
192 2 . . . . . . . . 4.76 rr_1j5j 1
192 3 . . . . . . . . 4.76 rr_1j5j 1
193 1 . . . . . . . . 2.83 rr_1j5j 1
194 1 . . . . . . . . 4.29 rr_1j5j 1
195 1 . . . . . . . . 3.05 rr_1j5j 1
196 2 . . . . . . . . 6.38 rr_1j5j 1
196 3 . . . . . . . . 6.38 rr_1j5j 1
197 2 . . . . . . . . 2.60 rr_1j5j 1
197 3 . . . . . . . . 2.60 rr_1j5j 1
198 1 . . . . . . . . 5.16 rr_1j5j 1
199 1 . . . . . . . . 4.11 rr_1j5j 1
200 2 . . . . . . . . 6.63 rr_1j5j 1
200 3 . . . . . . . . 6.63 rr_1j5j 1
201 2 . . . . . . . . 6.47 rr_1j5j 1
201 3 . . . . . . . . 6.47 rr_1j5j 1
202 1 . . . . . . . . 5.50 rr_1j5j 1
203 1 . . . . . . . . 3.48 rr_1j5j 1
204 2 . . . . . . . . 6.88 rr_1j5j 1
204 3 . . . . . . . . 6.88 rr_1j5j 1
205 1 . . . . . . . . 2.93 rr_1j5j 1
206 1 . . . . . . . . 3.52 rr_1j5j 1
207 1 . . . . . . . . 2.65 rr_1j5j 1
208 2 . . . . . . . . 5.73 rr_1j5j 1
208 3 . . . . . . . . 5.73 rr_1j5j 1
209 1 . . . . . . . . 2.83 rr_1j5j 1
210 1 . . . . . . . . 4.32 rr_1j5j 1
211 1 . . . . . . . . 3.83 rr_1j5j 1
212 2 . . . . . . . . 5.42 rr_1j5j 1
212 3 . . . . . . . . 5.42 rr_1j5j 1
213 1 . . . . . . . . 4.69 rr_1j5j 1
214 2 . . . . . . . . 5.11 rr_1j5j 1
214 3 . . . . . . . . 5.11 rr_1j5j 1
215 1 . . . . . . . . 3.05 rr_1j5j 1
216 2 . . . . . . . . 4.11 rr_1j5j 1
216 3 . . . . . . . . 4.11 rr_1j5j 1
217 1 . . . . . . . . 2.74 rr_1j5j 1
218 1 . . . . . . . . 3.48 rr_1j5j 1
219 1 . . . . . . . . 5.25 rr_1j5j 1
220 1 . . . . . . . . 5.25 rr_1j5j 1
221 2 . . . . . . . . 4.44 rr_1j5j 1
221 3 . . . . . . . . 4.44 rr_1j5j 1
222 2 . . . . . . . . 5.82 rr_1j5j 1
222 3 . . . . . . . . 5.82 rr_1j5j 1
223 1 . . . . . . . . 2.74 rr_1j5j 1
224 2 . . . . . . . . 3.37 rr_1j5j 1
224 3 . . . . . . . . 3.37 rr_1j5j 1
225 1 . . . . . . . . 4.23 rr_1j5j 1
226 1 . . . . . . . . 4.97 rr_1j5j 1
227 1 . . . . . . . . 2.65 rr_1j5j 1
228 1 . . . . . . . . 3.17 rr_1j5j 1
229 1 . . . . . . . . 3.21 rr_1j5j 1
230 1 . . . . . . . . 3.61 rr_1j5j 1
231 1 . . . . . . . . 4.04 rr_1j5j 1
232 1 . . . . . . . . 5.50 rr_1j5j 1
233 1 . . . . . . . . 5.50 rr_1j5j 1
234 2 . . . . . . . . 6.38 rr_1j5j 1
234 3 . . . . . . . . 6.38 rr_1j5j 1
235 2 . . . . . . . . 4.40 rr_1j5j 1
235 3 . . . . . . . . 4.40 rr_1j5j 1
236 2 . . . . . . . . 6.38 rr_1j5j 1
236 3 . . . . . . . . 6.38 rr_1j5j 1
237 1 . . . . . . . . 3.55 rr_1j5j 1
238 1 . . . . . . . . 3.99 rr_1j5j 1
239 1 . . . . . . . . 2.80 rr_1j5j 1
240 1 . . . . . . . . 2.90 rr_1j5j 1
241 1 . . . . . . . . 3.65 rr_1j5j 1
242 1 . . . . . . . . 4.11 rr_1j5j 1
243 1 . . . . . . . . 6.37 rr_1j5j 1
244 1 . . . . . . . . 3.55 rr_1j5j 1
245 1 . . . . . . . . 3.08 rr_1j5j 1
246 1 . . . . . . . . 5.38 rr_1j5j 1
247 1 . . . . . . . . 3.61 rr_1j5j 1
248 1 . . . . . . . . 2.93 rr_1j5j 1
249 1 . . . . . . . . 2.86 rr_1j5j 1
250 1 . . . . . . . . 3.58 rr_1j5j 1
251 1 . . . . . . . . 4.91 rr_1j5j 1
252 1 . . . . . . . . 6.63 rr_1j5j 1
253 1 . . . . . . . . 4.35 rr_1j5j 1
254 1 . . . . . . . . 2.59 rr_1j5j 1
255 1 . . . . . . . . 2.90 rr_1j5j 1
256 1 . . . . . . . . 3.76 rr_1j5j 1
257 1 . . . . . . . . 2.96 rr_1j5j 1
258 1 . . . . . . . . 3.48 rr_1j5j 1
259 1 . . . . . . . . 4.72 rr_1j5j 1
260 1 . . . . . . . . 3.05 rr_1j5j 1
261 1 . . . . . . . . 5.50 rr_1j5j 1
262 1 . . . . . . . . 4.85 rr_1j5j 1
263 1 . . . . . . . . 4.35 rr_1j5j 1
264 2 . . . . . . . . 7.62 rr_1j5j 1
264 3 . . . . . . . . 7.62 rr_1j5j 1
265 2 . . . . . . . . 6.38 rr_1j5j 1
265 3 . . . . . . . . 6.38 rr_1j5j 1
266 1 . . . . . . . . 2.52 rr_1j5j 1
267 2 . . . . . . . . 6.26 rr_1j5j 1
267 3 . . . . . . . . 6.26 rr_1j5j 1
268 2 . . . . . . . . 7.88 rr_1j5j 1
268 3 . . . . . . . . 7.88 rr_1j5j 1
268 4 . . . . . . . . 7.88 rr_1j5j 1
268 5 . . . . . . . . 7.88 rr_1j5j 1
269 1 . . . . . . . . 3.05 rr_1j5j 1
270 1 . . . . . . . . 2.90 rr_1j5j 1
271 1 . . . . . . . . 6.53 rr_1j5j 1
272 1 . . . . . . . . 2.96 rr_1j5j 1
273 1 . . . . . . . . 2.43 rr_1j5j 1
274 1 . . . . . . . . 6.53 rr_1j5j 1
275 1 . . . . . . . . 3.70 rr_1j5j 1
276 1 . . . . . . . . 3.02 rr_1j5j 1
277 1 . . . . . . . . 4.88 rr_1j5j 1
278 1 . . . . . . . . 3.30 rr_1j5j 1
279 1 . . . . . . . . 3.61 rr_1j5j 1
280 1 . . . . . . . . 2.40 rr_1j5j 1
281 1 . . . . . . . . 5.00 rr_1j5j 1
282 1 . . . . . . . . 4.42 rr_1j5j 1
283 1 . . . . . . . . 4.88 rr_1j5j 1
284 1 . . . . . . . . 4.82 rr_1j5j 1
285 1 . . . . . . . . 6.53 rr_1j5j 1
286 1 . . . . . . . . 6.53 rr_1j5j 1
287 1 . . . . . . . . 6.12 rr_1j5j 1
288 1 . . . . . . . . 6.53 rr_1j5j 1
289 1 . . . . . . . . 6.34 rr_1j5j 1
290 1 . . . . . . . . 4.61 rr_1j5j 1
291 1 . . . . . . . . 4.11 rr_1j5j 1
292 1 . . . . . . . . 2.46 rr_1j5j 1
293 1 . . . . . . . . 3.17 rr_1j5j 1
294 1 . . . . . . . . 2.96 rr_1j5j 1
295 1 . . . . . . . . 2.99 rr_1j5j 1
296 1 . . . . . . . . 2.59 rr_1j5j 1
297 1 . . . . . . . . 2.86 rr_1j5j 1
298 1 . . . . . . . . 2.96 rr_1j5j 1
299 1 . . . . . . . . 3.33 rr_1j5j 1
300 1 . . . . . . . . 3.45 rr_1j5j 1
301 1 . . . . . . . . 2.93 rr_1j5j 1
302 1 . . . . . . . . 3.76 rr_1j5j 1
303 1 . . . . . . . . 4.45 rr_1j5j 1
304 1 . . . . . . . . 2.83 rr_1j5j 1
305 1 . . . . . . . . 2.49 rr_1j5j 1
306 1 . . . . . . . . 4.11 rr_1j5j 1
307 1 . . . . . . . . 3.05 rr_1j5j 1
308 1 . . . . . . . . 2.68 rr_1j5j 1
309 1 . . . . . . . . 3.48 rr_1j5j 1
310 1 . . . . . . . . 2.86 rr_1j5j 1
311 1 . . . . . . . . 2.40 rr_1j5j 1
312 1 . . . . . . . . 4.69 rr_1j5j 1
313 1 . . . . . . . . 3.03 rr_1j5j 1
314 1 . . . . . . . . 2.96 rr_1j5j 1
315 1 . . . . . . . . 3.02 rr_1j5j 1
316 1 . . . . . . . . 2.43 rr_1j5j 1
317 1 . . . . . . . . 2.90 rr_1j5j 1
318 1 . . . . . . . . 3.64 rr_1j5j 1
319 1 . . . . . . . . 2.74 rr_1j5j 1
320 1 . . . . . . . . 2.52 rr_1j5j 1
321 1 . . . . . . . . 4.38 rr_1j5j 1
322 1 . . . . . . . . 3.36 rr_1j5j 1
323 1 . . . . . . . . 4.07 rr_1j5j 1
324 1 . . . . . . . . 3.73 rr_1j5j 1
325 1 . . . . . . . . 2.74 rr_1j5j 1
326 1 . . . . . . . . 2.59 rr_1j5j 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 "NMR CONSTRAINTS FOR BeKm STRUCTURE CALCULATION" 1 1 1 48 rr_1j5j 1
2 "DISTANCE CONSTRAINTS (A)" 2 1 2 26 rr_1j5j 1
3 NOE 3 1 3 5 rr_1j5j 1
4 "326 upper NOE constraints:" 4 1 4 28 rr_1j5j 1
5 "102 intra, 104 short, 56 medium, 64 long" 5 1 5 42 rr_1j5j 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1j5j
_Distance_constraint_list.ID 2
_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 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_1j5j 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_1j5j 2
2 1 . . . rr_1j5j 2
3 1 . . . rr_1j5j 2
4 1 . . . rr_1j5j 2
5 1 . . . rr_1j5j 2
6 1 . . . rr_1j5j 2
7 1 . . . rr_1j5j 2
8 1 . . . rr_1j5j 2
9 1 . . . rr_1j5j 2
10 1 . . . rr_1j5j 2
11 1 . . . rr_1j5j 2
12 1 . . . rr_1j5j 2
13 1 . . . rr_1j5j 2
14 1 . . . rr_1j5j 2
15 1 . . . rr_1j5j 2
16 1 . . . rr_1j5j 2
17 1 . . . rr_1j5j 2
18 1 . . . rr_1j5j 2
19 1 . . . rr_1j5j 2
20 1 . . . rr_1j5j 2
21 1 . . . rr_1j5j 2
22 1 . . . rr_1j5j 2
23 1 . . . rr_1j5j 2
24 1 . . . rr_1j5j 2
25 1 . . . rr_1j5j 2
26 1 . . . rr_1j5j 2
27 1 . . . rr_1j5j 2
28 1 . . . rr_1j5j 2
29 1 . . . rr_1j5j 2
30 1 . . . rr_1j5j 2
31 1 . . . rr_1j5j 2
32 1 . . . rr_1j5j 2
33 1 . . . rr_1j5j 2
34 1 . . . rr_1j5j 2
35 1 . . . rr_1j5j 2
36 1 . . . rr_1j5j 2
37 1 . . . rr_1j5j 2
38 1 . . . rr_1j5j 2
39 1 . . . rr_1j5j 2
40 1 . . . rr_1j5j 2
41 1 . . . rr_1j5j 2
42 1 . . . rr_1j5j 2
43 1 . . . rr_1j5j 2
44 1 . . . rr_1j5j 2
45 1 . . . rr_1j5j 2
46 1 . . . rr_1j5j 2
47 1 . . . rr_1j5j 2
48 1 . . . rr_1j5j 2
49 1 . . . rr_1j5j 2
50 1 . . . rr_1j5j 2
51 1 . . . rr_1j5j 2
52 1 . . . rr_1j5j 2
53 1 . . . rr_1j5j 2
54 1 . . . rr_1j5j 2
55 1 . . . rr_1j5j 2
56 1 . . . rr_1j5j 2
57 1 . . . rr_1j5j 2
58 1 . . . rr_1j5j 2
59 1 . . . rr_1j5j 2
60 1 . . . rr_1j5j 2
61 1 . . . rr_1j5j 2
62 1 . . . rr_1j5j 2
63 1 . . . rr_1j5j 2
64 1 . . . rr_1j5j 2
65 1 . . . rr_1j5j 2
66 1 . . . rr_1j5j 2
67 1 . . . rr_1j5j 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 2 2 PRO HA H . . . . 2 PRO HA rr_1j5j 2
1 1 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 ASP HB2 rr_1j5j 2
2 1 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 PRO HB2 rr_1j5j 2
2 1 . 2 . 1 1 32 32 PHE HB2 H . . . . 32 PHE HB2 rr_1j5j 2
3 1 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 PRO HB3 rr_1j5j 2
3 1 . 2 . 1 1 32 32 PHE HB2 H . . . . 32 PHE HB2 rr_1j5j 2
4 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 2
4 1 . 2 . 1 1 32 32 PHE HB3 H . . . . 32 PHE HB3 rr_1j5j 2
5 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR HG21 rr_1j5j 2
5 1 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE HE2 rr_1j5j 2
6 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR HG22 rr_1j5j 2
6 1 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE HE1 rr_1j5j 2
7 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR HG22 rr_1j5j 2
7 1 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE HE2 rr_1j5j 2
8 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR HG23 rr_1j5j 2
8 1 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE HE1 rr_1j5j 2
9 1 . 1 . 1 1 3 3 THR MG H . . . . 3 THR HG23 rr_1j5j 2
9 1 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE HE2 rr_1j5j 2
10 1 . 1 . 1 1 4 4 ASP H H . . . . 4 ASP HN rr_1j5j 2
10 1 . 2 . 1 1 5 5 ILE HG13 H . . . . 5 ILE HG13 rr_1j5j 2
11 1 . 1 . 1 1 5 5 ILE MD H . . . . 5 ILE HD11 rr_1j5j 2
11 1 . 2 . 1 1 20 20 ARG HE H . . . . 20 ARG HE rr_1j5j 2
12 1 . 1 . 1 1 5 5 ILE MD H . . . . 5 ILE HD12 rr_1j5j 2
12 1 . 2 . 1 1 20 20 ARG HE H . . . . 20 ARG HE rr_1j5j 2
13 1 . 1 . 1 1 5 5 ILE MD H . . . . 5 ILE HD13 rr_1j5j 2
13 1 . 2 . 1 1 20 20 ARG HE H . . . . 20 ARG HE rr_1j5j 2
14 1 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS HB2 rr_1j5j 2
14 1 . 2 . 1 1 32 32 PHE HE1 H . . . . 32 PHE HE1 rr_1j5j 2
15 1 . 1 . 1 1 6 6 LYS HB2 H . . . . 6 LYS HB2 rr_1j5j 2
15 1 . 2 . 1 1 32 32 PHE HE2 H . . . . 32 PHE HE2 rr_1j5j 2
16 1 . 1 . 1 1 6 6 LYS HD2 H . . . . 6 LYS HD2 rr_1j5j 2
16 1 . 2 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 2
17 1 . 1 . 1 1 6 6 LYS HD2 H . . . . 6 LYS HD2 rr_1j5j 2
17 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 2
18 1 . 1 . 1 1 6 6 LYS HD3 H . . . . 6 LYS HD3 rr_1j5j 2
18 1 . 2 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 2
19 1 . 1 . 1 1 6 6 LYS HD3 H . . . . 6 LYS HD3 rr_1j5j 2
19 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 CYS HA rr_1j5j 2
20 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 2
20 1 . 2 . 1 1 11 11 TYR HE1 H . . . . 11 TYR HE1 rr_1j5j 2
21 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 2
21 1 . 2 . 1 1 11 11 TYR HE2 H . . . . 11 TYR HE2 rr_1j5j 2
22 1 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 GLU HB3 rr_1j5j 2
22 1 . 2 . 1 1 11 11 TYR HB3 H . . . . 11 TYR HB3 rr_1j5j 2
23 1 . 1 . 1 1 12 12 GLN HA H . . . . 12 GLN HA rr_1j5j 2
23 1 . 2 . 1 1 15 15 PRO HG2 H . . . . 15 PRO HG2 rr_1j5j 2
24 1 . 1 . 1 1 13 13 CYS HB3 H . . . . 13 CYS HB3 rr_1j5j 2
24 1 . 2 . 1 1 33 33 CYS HA H . . . . 33 CYS HA rr_1j5j 2
25 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG11 rr_1j5j 2
25 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 2
26 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG11 rr_1j5j 2
26 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 2
27 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG12 rr_1j5j 2
27 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 2
28 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG12 rr_1j5j 2
28 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 2
29 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG13 rr_1j5j 2
29 1 . 2 . 1 1 33 33 CYS HB2 H . . . . 33 CYS HB2 rr_1j5j 2
30 1 . 1 . 1 1 16 16 VAL MG1 H . . . . 16 VAL HG13 rr_1j5j 2
30 1 . 2 . 1 1 33 33 CYS HB3 H . . . . 33 CYS HB3 rr_1j5j 2
31 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 2
31 1 . 2 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 2
32 1 . 1 . 1 1 20 20 ARG HG2 H . . . . 20 ARG HG2 rr_1j5j 2
32 1 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE HD1 rr_1j5j 2
33 1 . 1 . 1 1 20 20 ARG HG2 H . . . . 20 ARG HG2 rr_1j5j 2
33 1 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE HE1 rr_1j5j 2
34 1 . 1 . 1 1 20 20 ARG HG2 H . . . . 20 ARG HG2 rr_1j5j 2
34 1 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE HE2 rr_1j5j 2
35 1 . 1 . 1 1 20 20 ARG HG2 H . . . . 20 ARG HG2 rr_1j5j 2
35 1 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE HD2 rr_1j5j 2
36 1 . 1 . 1 1 20 20 ARG HG3 H . . . . 20 ARG HG3 rr_1j5j 2
36 1 . 2 . 1 1 21 21 PHE HD1 H . . . . 21 PHE HD1 rr_1j5j 2
37 1 . 1 . 1 1 20 20 ARG HG3 H . . . . 20 ARG HG3 rr_1j5j 2
37 1 . 2 . 1 1 21 21 PHE HE1 H . . . . 21 PHE HE1 rr_1j5j 2
38 1 . 1 . 1 1 20 20 ARG HG3 H . . . . 20 ARG HG3 rr_1j5j 2
38 1 . 2 . 1 1 21 21 PHE HE2 H . . . . 21 PHE HE2 rr_1j5j 2
39 1 . 1 . 1 1 20 20 ARG HG3 H . . . . 20 ARG HG3 rr_1j5j 2
39 1 . 2 . 1 1 21 21 PHE HD2 H . . . . 21 PHE HD2 rr_1j5j 2
40 1 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 2
40 1 . 2 . 1 1 23 23 LYS HD2 H . . . . 23 LYS HD2 rr_1j5j 2
41 1 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 2
41 1 . 2 . 1 1 23 23 LYS HD3 H . . . . 23 LYS HD3 rr_1j5j 2
42 1 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 2
42 1 . 2 . 1 1 23 23 LYS HE2 H . . . . 23 LYS HE2 rr_1j5j 2
43 1 . 1 . 1 1 21 21 PHE HB3 H . . . . 21 PHE HB3 rr_1j5j 2
43 1 . 2 . 1 1 23 23 LYS HE3 H . . . . 23 LYS HE3 rr_1j5j 2
44 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 2
44 1 . 2 . 1 1 23 23 LYS HD2 H . . . . 23 LYS HD2 rr_1j5j 2
45 1 . 1 . 1 1 23 23 LYS HD2 H . . . . 23 LYS HD2 rr_1j5j 2
45 1 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 2
46 1 . 1 . 1 1 23 23 LYS HD3 H . . . . 23 LYS HD3 rr_1j5j 2
46 1 . 2 . 1 1 24 24 THR H H . . . . 24 THR HN rr_1j5j 2
47 1 . 1 . 1 1 23 23 LYS HD3 H . . . . 23 LYS HD3 rr_1j5j 2
47 1 . 2 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 2
48 1 . 1 . 1 1 23 23 LYS HE2 H . . . . 23 LYS HE2 rr_1j5j 2
48 1 . 2 . 1 1 35 35 CYS HB2 H . . . . 35 CYS HB2 rr_1j5j 2
49 1 . 1 . 1 1 23 23 LYS HE3 H . . . . 23 LYS HE3 rr_1j5j 2
49 1 . 2 . 1 1 36 36 PHE HA H . . . . 36 PHE HA rr_1j5j 2
50 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR HG21 rr_1j5j 2
50 1 . 2 . 1 1 25 25 ASN HD21 H . . . . 25 ASN HD21 rr_1j5j 2
51 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR HG22 rr_1j5j 2
51 1 . 2 . 1 1 25 25 ASN HD22 H . . . . 25 ASN HD22 rr_1j5j 2
52 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR HG22 rr_1j5j 2
52 1 . 2 . 1 1 25 25 ASN HD21 H . . . . 25 ASN HD21 rr_1j5j 2
53 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR HG23 rr_1j5j 2
53 1 . 2 . 1 1 25 25 ASN HD22 H . . . . 25 ASN HD22 rr_1j5j 2
54 1 . 1 . 1 1 24 24 THR MG H . . . . 24 THR HG23 rr_1j5j 2
54 1 . 2 . 1 1 25 25 ASN HD21 H . . . . 25 ASN HD21 rr_1j5j 2
55 1 . 1 . 1 1 25 25 ASN HA H . . . . 25 ASN HA rr_1j5j 2
55 1 . 2 . 1 1 25 25 ASN HD22 H . . . . 25 ASN HD22 rr_1j5j 2
56 1 . 1 . 1 1 25 25 ASN HB3 H . . . . 25 ASN HB3 rr_1j5j 2
56 1 . 2 . 1 1 25 25 ASN HD22 H . . . . 25 ASN HD22 rr_1j5j 2
57 1 . 1 . 1 1 26 26 GLY HA2 H . . . . 26 GLY HA1 rr_1j5j 2
57 1 . 2 . 1 1 36 36 PHE HE1 H . . . . 36 PHE HE1 rr_1j5j 2
58 1 . 1 . 1 1 26 26 GLY HA2 H . . . . 26 GLY HA1 rr_1j5j 2
58 1 . 2 . 1 1 36 36 PHE HE2 H . . . . 36 PHE HE2 rr_1j5j 2
59 1 . 1 . 1 1 29 29 VAL HB H . . . . 29 VAL HB rr_1j5j 2
59 1 . 2 . 1 1 34 34 ASP HB3 H . . . . 34 ASP HB3 rr_1j5j 2
60 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL HG11 rr_1j5j 2
60 1 . 2 . 1 1 30 30 ASN HB2 H . . . . 30 ASN HB2 rr_1j5j 2
61 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL HG12 rr_1j5j 2
61 1 . 2 . 1 1 30 30 ASN HB2 H . . . . 30 ASN HB2 rr_1j5j 2
62 1 . 1 . 1 1 29 29 VAL MG1 H . . . . 29 VAL HG13 rr_1j5j 2
62 1 . 2 . 1 1 30 30 ASN HB2 H . . . . 30 ASN HB2 rr_1j5j 2
63 1 . 1 . 1 1 30 30 ASN HA H . . . . 30 ASN HA rr_1j5j 2
63 1 . 2 . 1 1 30 30 ASN HD22 H . . . . 30 ASN HD22 rr_1j5j 2
64 1 . 1 . 1 1 30 30 ASN HB2 H . . . . 30 ASN HB2 rr_1j5j 2
64 1 . 2 . 1 1 30 30 ASN HD22 H . . . . 30 ASN HD22 rr_1j5j 2
65 1 . 1 . 1 1 30 30 ASN HB3 H . . . . 30 ASN HB3 rr_1j5j 2
65 1 . 2 . 1 1 32 32 PHE HB2 H . . . . 32 PHE HB2 rr_1j5j 2
66 1 . 1 . 1 1 30 30 ASN HB3 H . . . . 30 ASN HB3 rr_1j5j 2
66 1 . 2 . 1 1 32 32 PHE HD1 H . . . . 32 PHE HD1 rr_1j5j 2
67 1 . 1 . 1 1 30 30 ASN HB3 H . . . . 30 ASN HB3 rr_1j5j 2
67 1 . 2 . 1 1 32 32 PHE HD2 H . . . . 32 PHE HD2 rr_1j5j 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 . . . . . . . 3.0 . rr_1j5j 2
2 1 . . . . . . . 3.0 . rr_1j5j 2
3 1 . . . . . . . 3.0 . rr_1j5j 2
4 1 . . . . . . . 3.0 . rr_1j5j 2
5 1 . . . . . . . 3.0 . rr_1j5j 2
6 1 . . . . . . . 3.0 . rr_1j5j 2
7 1 . . . . . . . 3.0 . rr_1j5j 2
8 1 . . . . . . . 3.0 . rr_1j5j 2
9 1 . . . . . . . 3.0 . rr_1j5j 2
10 1 . . . . . . . 3.0 . rr_1j5j 2
11 1 . . . . . . . 3.0 . rr_1j5j 2
12 1 . . . . . . . 3.0 . rr_1j5j 2
13 1 . . . . . . . 3.0 . rr_1j5j 2
14 1 . . . . . . . 3.0 . rr_1j5j 2
15 1 . . . . . . . 3.0 . rr_1j5j 2
16 1 . . . . . . . 3.0 . rr_1j5j 2
17 1 . . . . . . . 3.0 . rr_1j5j 2
18 1 . . . . . . . 3.0 . rr_1j5j 2
19 1 . . . . . . . 3.0 . rr_1j5j 2
20 1 . . . . . . . 3.0 . rr_1j5j 2
21 1 . . . . . . . 3.0 . rr_1j5j 2
22 1 . . . . . . . 3.0 . rr_1j5j 2
23 1 . . . . . . . 3.0 . rr_1j5j 2
24 1 . . . . . . . 3.0 . rr_1j5j 2
25 1 . . . . . . . 3.0 . rr_1j5j 2
26 1 . . . . . . . 3.0 . rr_1j5j 2
27 1 . . . . . . . 3.0 . rr_1j5j 2
28 1 . . . . . . . 3.0 . rr_1j5j 2
29 1 . . . . . . . 3.0 . rr_1j5j 2
30 1 . . . . . . . 3.0 . rr_1j5j 2
31 1 . . . . . . . 3.0 . rr_1j5j 2
32 1 . . . . . . . 3.0 . rr_1j5j 2
33 1 . . . . . . . 3.0 . rr_1j5j 2
34 1 . . . . . . . 3.0 . rr_1j5j 2
35 1 . . . . . . . 3.0 . rr_1j5j 2
36 1 . . . . . . . 3.0 . rr_1j5j 2
37 1 . . . . . . . 3.0 . rr_1j5j 2
38 1 . . . . . . . 3.0 . rr_1j5j 2
39 1 . . . . . . . 3.0 . rr_1j5j 2
40 1 . . . . . . . 3.0 . rr_1j5j 2
41 1 . . . . . . . 3.0 . rr_1j5j 2
42 1 . . . . . . . 3.0 . rr_1j5j 2
43 1 . . . . . . . 3.0 . rr_1j5j 2
44 1 . . . . . . . 3.0 . rr_1j5j 2
45 1 . . . . . . . 3.0 . rr_1j5j 2
46 1 . . . . . . . 3.0 . rr_1j5j 2
47 1 . . . . . . . 3.0 . rr_1j5j 2
48 1 . . . . . . . 3.0 . rr_1j5j 2
49 1 . . . . . . . 3.0 . rr_1j5j 2
50 1 . . . . . . . 3.0 . rr_1j5j 2
51 1 . . . . . . . 3.0 . rr_1j5j 2
52 1 . . . . . . . 3.0 . rr_1j5j 2
53 1 . . . . . . . 3.0 . rr_1j5j 2
54 1 . . . . . . . 3.0 . rr_1j5j 2
55 1 . . . . . . . 3.0 . rr_1j5j 2
56 1 . . . . . . . 3.0 . rr_1j5j 2
57 1 . . . . . . . 3.0 . rr_1j5j 2
58 1 . . . . . . . 3.0 . rr_1j5j 2
59 1 . . . . . . . 3.0 . rr_1j5j 2
60 1 . . . . . . . 3.0 . rr_1j5j 2
61 1 . . . . . . . 3.0 . rr_1j5j 2
62 1 . . . . . . . 3.0 . rr_1j5j 2
63 1 . . . . . . . 3.0 . rr_1j5j 2
64 1 . . . . . . . 3.0 . rr_1j5j 2
65 1 . . . . . . . 3.0 . rr_1j5j 2
66 1 . . . . . . . 3.0 . rr_1j5j 2
67 1 . . . . . . . 3.0 . rr_1j5j 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 "67 lower NOE constraints" 1 1 1 26 rr_1j5j 2
2 "4 intra, 24 short, 13 medium, 26 long" 2 1 2 39 rr_1j5j 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1j5j
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "disulfide bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
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_1j5j 3
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_1j5j 3
2 1 . . . rr_1j5j 3
3 1 . . . rr_1j5j 3
4 1 . . . rr_1j5j 3
5 1 . . . rr_1j5j 3
6 1 . . . rr_1j5j 3
7 1 . . . rr_1j5j 3
8 1 . . . rr_1j5j 3
9 1 . . . rr_1j5j 3
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 7 7 CYS CB C . . . . 7 CYS CB rr_1j5j 3
1 1 . 2 . 1 1 28 28 CYS SG S . . . . 28 CYS SG rr_1j5j 3
2 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 CYS SG rr_1j5j 3
2 1 . 2 . 1 1 28 28 CYS CB C . . . . 28 CYS CB rr_1j5j 3
3 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 CYS SG rr_1j5j 3
3 1 . 2 . 1 1 28 28 CYS SG S . . . . 28 CYS SG rr_1j5j 3
4 1 . 1 . 1 1 13 13 CYS CB C . . . . 13 CYS CB rr_1j5j 3
4 1 . 2 . 1 1 33 33 CYS SG S . . . . 33 CYS SG rr_1j5j 3
5 1 . 1 . 1 1 13 13 CYS SG S . . . . 13 CYS SG rr_1j5j 3
5 1 . 2 . 1 1 33 33 CYS CB C . . . . 33 CYS CB rr_1j5j 3
6 1 . 1 . 1 1 13 13 CYS SG S . . . . 13 CYS SG rr_1j5j 3
6 1 . 2 . 1 1 33 33 CYS SG S . . . . 33 CYS SG rr_1j5j 3
7 1 . 1 . 1 1 17 17 CYS CB C . . . . 17 CYS CB rr_1j5j 3
7 1 . 2 . 1 1 35 35 CYS SG S . . . . 35 CYS SG rr_1j5j 3
8 1 . 1 . 1 1 17 17 CYS SG S . . . . 17 CYS SG rr_1j5j 3
8 1 . 2 . 1 1 35 35 CYS CB C . . . . 35 CYS CB rr_1j5j 3
9 1 . 1 . 1 1 17 17 CYS SG S . . . . 17 CYS SG rr_1j5j 3
9 1 . 2 . 1 1 35 35 CYS SG S . . . . 35 CYS SG rr_1j5j 3
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 . . . . . . . . 3.1 rr_1j5j 3
2 1 . . . . . . . . 3.1 rr_1j5j 3
3 1 . . . . . . . . 2.1 rr_1j5j 3
4 1 . . . . . . . . 3.1 rr_1j5j 3
5 1 . . . . . . . . 3.1 rr_1j5j 3
6 1 . . . . . . . . 2.1 rr_1j5j 3
7 1 . . . . . . . . 3.1 rr_1j5j 3
8 1 . . . . . . . . 3.1 rr_1j5j 3
9 1 . . . . . . . . 2.1 rr_1j5j 3
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 SS-BONDS 2 1 2 10 rr_1j5j 3
2 "9 upper SS-bond constraints" 3 1 3 29 rr_1j5j 3
stop_
save_
save_DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_1j5j
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "disulfide bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
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_1j5j 4
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_1j5j 4
2 1 . . . rr_1j5j 4
3 1 . . . rr_1j5j 4
4 1 . . . rr_1j5j 4
5 1 . . . rr_1j5j 4
6 1 . . . rr_1j5j 4
7 1 . . . rr_1j5j 4
8 1 . . . rr_1j5j 4
9 1 . . . rr_1j5j 4
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 7 7 CYS CB C . . . . 7 CYS CB rr_1j5j 4
1 1 . 2 . 1 1 28 28 CYS SG S . . . . 28 CYS SG rr_1j5j 4
2 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 CYS SG rr_1j5j 4
2 1 . 2 . 1 1 28 28 CYS CB C . . . . 28 CYS CB rr_1j5j 4
3 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 CYS SG rr_1j5j 4
3 1 . 2 . 1 1 28 28 CYS SG S . . . . 28 CYS SG rr_1j5j 4
4 1 . 1 . 1 1 13 13 CYS CB C . . . . 13 CYS CB rr_1j5j 4
4 1 . 2 . 1 1 33 33 CYS SG S . . . . 33 CYS SG rr_1j5j 4
5 1 . 1 . 1 1 13 13 CYS SG S . . . . 13 CYS SG rr_1j5j 4
5 1 . 2 . 1 1 33 33 CYS CB C . . . . 33 CYS CB rr_1j5j 4
6 1 . 1 . 1 1 13 13 CYS SG S . . . . 13 CYS SG rr_1j5j 4
6 1 . 2 . 1 1 33 33 CYS SG S . . . . 33 CYS SG rr_1j5j 4
7 1 . 1 . 1 1 17 17 CYS CB C . . . . 17 CYS CB rr_1j5j 4
7 1 . 2 . 1 1 35 35 CYS SG S . . . . 35 CYS SG rr_1j5j 4
8 1 . 1 . 1 1 17 17 CYS SG S . . . . 17 CYS SG rr_1j5j 4
8 1 . 2 . 1 1 35 35 CYS CB C . . . . 35 CYS CB rr_1j5j 4
9 1 . 1 . 1 1 17 17 CYS SG S . . . . 17 CYS SG rr_1j5j 4
9 1 . 2 . 1 1 35 35 CYS SG S . . . . 35 CYS SG rr_1j5j 4
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 . . . . . . . 3.0 . rr_1j5j 4
2 1 . . . . . . . 3.0 . rr_1j5j 4
3 1 . . . . . . . 2.0 . rr_1j5j 4
4 1 . . . . . . . 3.0 . rr_1j5j 4
5 1 . . . . . . . 3.0 . rr_1j5j 4
6 1 . . . . . . . 2.0 . rr_1j5j 4
7 1 . . . . . . . 3.0 . rr_1j5j 4
8 1 . . . . . . . 3.0 . rr_1j5j 4
9 1 . . . . . . . 2.0 . rr_1j5j 4
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 "9 lower SS-bond constraints" 1 1 1 29 rr_1j5j 4
stop_
save_
save_DYANA/DIANA_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_6_1
_Distance_constraint_list.Entry_ID rr_1j5j
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
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_1j5j 5
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_1j5j 5
2 1 . . . rr_1j5j 5
3 1 . . . rr_1j5j 5
4 1 . . . rr_1j5j 5
5 1 . . . rr_1j5j 5
6 1 . . . rr_1j5j 5
7 1 . . . rr_1j5j 5
8 1 . . . rr_1j5j 5
9 1 . . . rr_1j5j 5
10 1 . . . rr_1j5j 5
11 1 . . . rr_1j5j 5
12 1 . . . rr_1j5j 5
13 1 . . . rr_1j5j 5
14 1 . . . rr_1j5j 5
15 1 . . . rr_1j5j 5
16 1 . . . rr_1j5j 5
17 1 . . . rr_1j5j 5
18 1 . . . rr_1j5j 5
19 1 . . . rr_1j5j 5
20 1 . . . rr_1j5j 5
21 1 . . . rr_1j5j 5
22 1 . . . rr_1j5j 5
23 1 . . . rr_1j5j 5
24 1 . . . rr_1j5j 5
25 1 . . . rr_1j5j 5
26 1 . . . rr_1j5j 5
27 1 . . . rr_1j5j 5
28 1 . . . rr_1j5j 5
29 1 . . . rr_1j5j 5
30 1 . . . rr_1j5j 5
31 1 . . . rr_1j5j 5
32 1 . . . rr_1j5j 5
33 1 . . . rr_1j5j 5
34 1 . . . rr_1j5j 5
35 1 . . . rr_1j5j 5
36 1 . . . rr_1j5j 5
37 1 . . . rr_1j5j 5
38 1 . . . rr_1j5j 5
39 1 . . . rr_1j5j 5
40 1 . . . rr_1j5j 5
41 1 . . . rr_1j5j 5
42 1 . . . rr_1j5j 5
43 1 . . . rr_1j5j 5
44 1 . . . rr_1j5j 5
45 1 . . . rr_1j5j 5
46 1 . . . rr_1j5j 5
47 1 . . . rr_1j5j 5
48 1 . . . rr_1j5j 5
49 1 . . . rr_1j5j 5
50 1 . . . rr_1j5j 5
51 1 . . . rr_1j5j 5
52 1 . . . rr_1j5j 5
53 1 . . . rr_1j5j 5
54 1 . . . rr_1j5j 5
55 1 . . . rr_1j5j 5
56 1 . . . rr_1j5j 5
57 1 . . . rr_1j5j 5
58 1 . . . rr_1j5j 5
59 1 . . . rr_1j5j 5
60 1 . . . rr_1j5j 5
61 1 . . . rr_1j5j 5
62 1 . . . rr_1j5j 5
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 3 3 THR N N . . . . 3 THR N rr_1j5j 5
1 1 . 2 . 1 1 33 33 CYS O O . . . . 33 CYS O rr_1j5j 5
2 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 5
2 1 . 2 . 1 1 33 33 CYS C C . . . . 33 CYS C rr_1j5j 5
3 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 5
3 1 . 2 . 1 1 33 33 CYS O O . . . . 33 CYS O rr_1j5j 5
4 1 . 1 . 1 1 5 5 ILE N N . . . . 5 ILE N rr_1j5j 5
4 1 . 2 . 1 1 3 3 THR OG1 O . . . . 3 THR OG1 rr_1j5j 5
5 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 5
5 1 . 2 . 1 1 3 3 THR OG1 O . . . . 3 THR OG1 rr_1j5j 5
6 1 . 1 . 1 1 7 7 CYS N N . . . . 7 CYS N rr_1j5j 5
6 1 . 2 . 1 1 31 31 GLY O O . . . . 31 GLY O rr_1j5j 5
7 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 5
7 1 . 2 . 1 1 31 31 GLY C C . . . . 31 GLY C rr_1j5j 5
8 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 5
8 1 . 2 . 1 1 31 31 GLY O O . . . . 31 GLY O rr_1j5j 5
9 1 . 1 . 1 1 8 8 SER N N . . . . 8 SER N rr_1j5j 5
9 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 5
10 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 5
10 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 5
11 1 . 1 . 1 1 9 9 GLU N N . . . . 9 GLU N rr_1j5j 5
11 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 5
12 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 5
12 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 5
13 1 . 1 . 1 1 12 12 GLN N N . . . . 12 GLN N rr_1j5j 5
13 1 . 2 . 1 1 9 9 GLU O O . . . . 9 GLU O rr_1j5j 5
14 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 5
14 1 . 2 . 1 1 9 9 GLU C C . . . . 9 GLU C rr_1j5j 5
15 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 5
15 1 . 2 . 1 1 9 9 GLU O O . . . . 9 GLU O rr_1j5j 5
16 1 . 1 . 1 1 13 13 CYS N N . . . . 13 CYS N rr_1j5j 5
16 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 5
17 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 5
17 1 . 2 . 1 1 10 10 SER C C . . . . 10 SER C rr_1j5j 5
18 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 5
18 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 5
19 1 . 1 . 1 1 14 14 PHE N N . . . . 14 PHE N rr_1j5j 5
19 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 5
20 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 5
20 1 . 2 . 1 1 10 10 SER C C . . . . 10 SER C rr_1j5j 5
21 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 5
21 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 5
22 1 . 1 . 1 1 17 17 CYS N N . . . . 17 CYS N rr_1j5j 5
22 1 . 2 . 1 1 13 13 CYS O O . . . . 13 CYS O rr_1j5j 5
23 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 5
23 1 . 2 . 1 1 13 13 CYS C C . . . . 13 CYS C rr_1j5j 5
24 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 5
24 1 . 2 . 1 1 13 13 CYS O O . . . . 13 CYS O rr_1j5j 5
25 1 . 1 . 1 1 18 18 LYS N N . . . . 18 LYS N rr_1j5j 5
25 1 . 2 . 1 1 14 14 PHE O O . . . . 14 PHE O rr_1j5j 5
26 1 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 5
26 1 . 2 . 1 1 14 14 PHE C C . . . . 14 PHE C rr_1j5j 5
27 1 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 5
27 1 . 2 . 1 1 14 14 PHE O O . . . . 14 PHE O rr_1j5j 5
28 1 . 1 . 1 1 20 20 ARG N N . . . . 20 ARG N rr_1j5j 5
28 1 . 2 . 1 1 16 16 VAL O O . . . . 16 VAL O rr_1j5j 5
29 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 5
29 1 . 2 . 1 1 16 16 VAL C C . . . . 16 VAL C rr_1j5j 5
30 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 5
30 1 . 2 . 1 1 16 16 VAL O O . . . . 16 VAL O rr_1j5j 5
31 1 . 1 . 1 1 21 21 PHE N N . . . . 21 PHE N rr_1j5j 5
31 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 5
32 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 5
32 1 . 2 . 1 1 17 17 CYS C C . . . . 17 CYS C rr_1j5j 5
33 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 5
33 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 5
34 1 . 1 . 1 1 22 22 GLY N N . . . . 22 GLY N rr_1j5j 5
34 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 5
35 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 5
35 1 . 2 . 1 1 17 17 CYS C C . . . . 17 CYS C rr_1j5j 5
36 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 5
36 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 5
37 1 . 1 . 1 1 26 26 GLY N N . . . . 26 GLY N rr_1j5j 5
37 1 . 2 . 1 1 25 25 ASN OD1 O . . . . 25 ASN OD1 rr_1j5j 5
38 1 . 1 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 5
38 1 . 2 . 1 1 25 25 ASN OD1 O . . . . 25 ASN OD1 rr_1j5j 5
39 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 5
39 1 . 2 . 1 1 36 36 PHE C C . . . . 36 PHE C rr_1j5j 5
40 1 . 1 . 1 1 27 27 ARG N N . . . . 27 ARG N rr_1j5j 5
40 1 . 2 . 1 1 34 34 ASP O O . . . . 34 ASP O rr_1j5j 5
41 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 5
41 1 . 2 . 1 1 34 34 ASP C C . . . . 34 ASP C rr_1j5j 5
42 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 5
42 1 . 2 . 1 1 34 34 ASP O O . . . . 34 ASP O rr_1j5j 5
43 1 . 1 . 1 1 28 28 CYS N N . . . . 28 CYS N rr_1j5j 5
43 1 . 2 . 1 1 10 10 SER OG O . . . . 10 SER OG rr_1j5j 5
44 1 . 1 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 5
44 1 . 2 . 1 1 10 10 SER OG O . . . . 10 SER OG rr_1j5j 5
45 1 . 1 . 1 1 29 29 VAL N N . . . . 29 VAL N rr_1j5j 5
45 1 . 2 . 1 1 32 32 PHE O O . . . . 32 PHE O rr_1j5j 5
46 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 5
46 1 . 2 . 1 1 32 32 PHE C C . . . . 32 PHE C rr_1j5j 5
47 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 5
47 1 . 2 . 1 1 32 32 PHE O O . . . . 32 PHE O rr_1j5j 5
48 1 . 1 . 1 1 32 32 PHE N N . . . . 32 PHE N rr_1j5j 5
48 1 . 2 . 1 1 29 29 VAL O O . . . . 29 VAL O rr_1j5j 5
49 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 5
49 1 . 2 . 1 1 29 29 VAL C C . . . . 29 VAL C rr_1j5j 5
50 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 5
50 1 . 2 . 1 1 29 29 VAL O O . . . . 29 VAL O rr_1j5j 5
51 1 . 1 . 1 1 33 33 CYS N N . . . . 33 CYS N rr_1j5j 5
51 1 . 2 . 1 1 5 5 ILE O O . . . . 5 ILE O rr_1j5j 5
52 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 5
52 1 . 2 . 1 1 5 5 ILE C C . . . . 5 ILE C rr_1j5j 5
53 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 5
53 1 . 2 . 1 1 5 5 ILE O O . . . . 5 ILE O rr_1j5j 5
54 1 . 1 . 1 1 34 34 ASP N N . . . . 34 ASP N rr_1j5j 5
54 1 . 2 . 1 1 27 27 ARG O O . . . . 27 ARG O rr_1j5j 5
55 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 5
55 1 . 2 . 1 1 27 27 ARG C C . . . . 27 ARG C rr_1j5j 5
56 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 5
56 1 . 2 . 1 1 27 27 ARG O O . . . . 27 ARG O rr_1j5j 5
57 1 . 1 . 1 1 35 35 CYS N N . . . . 35 CYS N rr_1j5j 5
57 1 . 2 . 1 1 1 1 ARG O O . . . . 1 ARG O rr_1j5j 5
58 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 5
58 1 . 2 . 1 1 1 1 ARG C C . . . . 1 ARG C rr_1j5j 5
59 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 5
59 1 . 2 . 1 1 1 1 ARG O O . . . . 1 ARG O rr_1j5j 5
60 1 . 1 . 1 1 36 36 PHE N N . . . . 36 PHE N rr_1j5j 5
60 1 . 2 . 1 1 25 25 ASN O O . . . . 25 ASN O rr_1j5j 5
61 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 5
61 1 . 2 . 1 1 25 25 ASN C C . . . . 25 ASN C rr_1j5j 5
62 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 5
62 1 . 2 . 1 1 25 25 ASN O O . . . . 25 ASN O rr_1j5j 5
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 . . . . . . . . 3.3 rr_1j5j 5
2 1 . . . . . . . . 3.5 rr_1j5j 5
3 1 . . . . . . . . 2.2 rr_1j5j 5
4 1 . . . . . . . . 3.4 rr_1j5j 5
5 1 . . . . . . . . 2.5 rr_1j5j 5
6 1 . . . . . . . . 3.3 rr_1j5j 5
7 1 . . . . . . . . 3.5 rr_1j5j 5
8 1 . . . . . . . . 2.2 rr_1j5j 5
9 1 . . . . . . . . 3.4 rr_1j5j 5
10 1 . . . . . . . . 2.3 rr_1j5j 5
11 1 . . . . . . . . 3.4 rr_1j5j 5
12 1 . . . . . . . . 2.3 rr_1j5j 5
13 1 . . . . . . . . 3.4 rr_1j5j 5
14 1 . . . . . . . . 3.5 rr_1j5j 5
15 1 . . . . . . . . 2.4 rr_1j5j 5
16 1 . . . . . . . . 3.4 rr_1j5j 5
17 1 . . . . . . . . 3.5 rr_1j5j 5
18 1 . . . . . . . . 2.4 rr_1j5j 5
19 1 . . . . . . . . 3.3 rr_1j5j 5
20 1 . . . . . . . . 3.5 rr_1j5j 5
21 1 . . . . . . . . 2.3 rr_1j5j 5
22 1 . . . . . . . . 3.3 rr_1j5j 5
23 1 . . . . . . . . 3.5 rr_1j5j 5
24 1 . . . . . . . . 2.3 rr_1j5j 5
25 1 . . . . . . . . 3.3 rr_1j5j 5
26 1 . . . . . . . . 3.5 rr_1j5j 5
27 1 . . . . . . . . 2.3 rr_1j5j 5
28 1 . . . . . . . . 3.3 rr_1j5j 5
29 1 . . . . . . . . 3.5 rr_1j5j 5
30 1 . . . . . . . . 2.3 rr_1j5j 5
31 1 . . . . . . . . 3.3 rr_1j5j 5
32 1 . . . . . . . . 3.5 rr_1j5j 5
33 1 . . . . . . . . 2.3 rr_1j5j 5
34 1 . . . . . . . . 3.3 rr_1j5j 5
35 1 . . . . . . . . 3.5 rr_1j5j 5
36 1 . . . . . . . . 2.3 rr_1j5j 5
37 1 . . . . . . . . 3.4 rr_1j5j 5
38 1 . . . . . . . . 2.4 rr_1j5j 5
39 1 . . . . . . . . 3.5 rr_1j5j 5
40 1 . . . . . . . . 3.3 rr_1j5j 5
41 1 . . . . . . . . 3.5 rr_1j5j 5
42 1 . . . . . . . . 2.2 rr_1j5j 5
43 1 . . . . . . . . 3.4 rr_1j5j 5
44 1 . . . . . . . . 2.5 rr_1j5j 5
45 1 . . . . . . . . 3.4 rr_1j5j 5
46 1 . . . . . . . . 3.5 rr_1j5j 5
47 1 . . . . . . . . 2.4 rr_1j5j 5
48 1 . . . . . . . . 3.4 rr_1j5j 5
49 1 . . . . . . . . 3.5 rr_1j5j 5
50 1 . . . . . . . . 2.4 rr_1j5j 5
51 1 . . . . . . . . 3.3 rr_1j5j 5
52 1 . . . . . . . . 3.5 rr_1j5j 5
53 1 . . . . . . . . 2.2 rr_1j5j 5
54 1 . . . . . . . . 3.3 rr_1j5j 5
55 1 . . . . . . . . 3.5 rr_1j5j 5
56 1 . . . . . . . . 2.2 rr_1j5j 5
57 1 . . . . . . . . 3.3 rr_1j5j 5
58 1 . . . . . . . . 3.5 rr_1j5j 5
59 1 . . . . . . . . 2.2 rr_1j5j 5
60 1 . . . . . . . . 3.3 rr_1j5j 5
61 1 . . . . . . . . 3.5 rr_1j5j 5
62 1 . . . . . . . . 2.2 rr_1j5j 5
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 "23 H-BONDS: 18 bb-bb, 5 bb-sc" 2 1 2 31 rr_1j5j 5
2 "64 upper H-bond constraints" 3 1 3 29 rr_1j5j 5
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 6 39 1 "Not handling restraint 39, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 5
2 6 41 1 "Not handling restraint 41, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 5
stop_
save_
save_DYANA/DIANA_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_7_1
_Distance_constraint_list.Entry_ID rr_1j5j
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
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_1j5j 6
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_1j5j 6
2 1 . . . rr_1j5j 6
3 1 . . . rr_1j5j 6
4 1 . . . rr_1j5j 6
5 1 . . . rr_1j5j 6
6 1 . . . rr_1j5j 6
7 1 . . . rr_1j5j 6
8 1 . . . rr_1j5j 6
9 1 . . . rr_1j5j 6
10 1 . . . rr_1j5j 6
11 1 . . . rr_1j5j 6
12 1 . . . rr_1j5j 6
13 1 . . . rr_1j5j 6
14 1 . . . rr_1j5j 6
15 1 . . . rr_1j5j 6
16 1 . . . rr_1j5j 6
17 1 . . . rr_1j5j 6
18 1 . . . rr_1j5j 6
19 1 . . . rr_1j5j 6
20 1 . . . rr_1j5j 6
21 1 . . . rr_1j5j 6
22 1 . . . rr_1j5j 6
23 1 . . . rr_1j5j 6
24 1 . . . rr_1j5j 6
25 1 . . . rr_1j5j 6
26 1 . . . rr_1j5j 6
27 1 . . . rr_1j5j 6
28 1 . . . rr_1j5j 6
29 1 . . . rr_1j5j 6
30 1 . . . rr_1j5j 6
31 1 . . . rr_1j5j 6
32 1 . . . rr_1j5j 6
33 1 . . . rr_1j5j 6
34 1 . . . rr_1j5j 6
35 1 . . . rr_1j5j 6
36 1 . . . rr_1j5j 6
37 1 . . . rr_1j5j 6
38 1 . . . rr_1j5j 6
39 1 . . . rr_1j5j 6
40 1 . . . rr_1j5j 6
41 1 . . . rr_1j5j 6
42 1 . . . rr_1j5j 6
43 1 . . . rr_1j5j 6
44 1 . . . rr_1j5j 6
45 1 . . . rr_1j5j 6
46 1 . . . rr_1j5j 6
47 1 . . . rr_1j5j 6
48 1 . . . rr_1j5j 6
49 1 . . . rr_1j5j 6
50 1 . . . rr_1j5j 6
51 1 . . . rr_1j5j 6
52 1 . . . rr_1j5j 6
53 1 . . . rr_1j5j 6
54 1 . . . rr_1j5j 6
55 1 . . . rr_1j5j 6
56 1 . . . rr_1j5j 6
57 1 . . . rr_1j5j 6
58 1 . . . rr_1j5j 6
59 1 . . . rr_1j5j 6
60 1 . . . rr_1j5j 6
61 1 . . . rr_1j5j 6
62 1 . . . rr_1j5j 6
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 3 3 THR N N . . . . 3 THR N rr_1j5j 6
1 1 . 2 . 1 1 33 33 CYS O O . . . . 33 CYS O rr_1j5j 6
2 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 6
2 1 . 2 . 1 1 33 33 CYS C C . . . . 33 CYS C rr_1j5j 6
3 1 . 1 . 1 1 3 3 THR H H . . . . 3 THR HN rr_1j5j 6
3 1 . 2 . 1 1 33 33 CYS O O . . . . 33 CYS O rr_1j5j 6
4 1 . 1 . 1 1 5 5 ILE N N . . . . 5 ILE N rr_1j5j 6
4 1 . 2 . 1 1 3 3 THR OG1 O . . . . 3 THR OG1 rr_1j5j 6
5 1 . 1 . 1 1 5 5 ILE H H . . . . 5 ILE HN rr_1j5j 6
5 1 . 2 . 1 1 3 3 THR OG1 O . . . . 3 THR OG1 rr_1j5j 6
6 1 . 1 . 1 1 7 7 CYS N N . . . . 7 CYS N rr_1j5j 6
6 1 . 2 . 1 1 31 31 GLY O O . . . . 31 GLY O rr_1j5j 6
7 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 6
7 1 . 2 . 1 1 31 31 GLY C C . . . . 31 GLY C rr_1j5j 6
8 1 . 1 . 1 1 7 7 CYS H H . . . . 7 CYS HN rr_1j5j 6
8 1 . 2 . 1 1 31 31 GLY O O . . . . 31 GLY O rr_1j5j 6
9 1 . 1 . 1 1 8 8 SER N N . . . . 8 SER N rr_1j5j 6
9 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 6
10 1 . 1 . 1 1 8 8 SER H H . . . . 8 SER HN rr_1j5j 6
10 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 6
11 1 . 1 . 1 1 9 9 GLU N N . . . . 9 GLU N rr_1j5j 6
11 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 6
12 1 . 1 . 1 1 9 9 GLU H H . . . . 9 GLU HN rr_1j5j 6
12 1 . 2 . 1 1 12 12 GLN OE1 O . . . . 12 GLN OE1 rr_1j5j 6
13 1 . 1 . 1 1 12 12 GLN N N . . . . 12 GLN N rr_1j5j 6
13 1 . 2 . 1 1 9 9 GLU O O . . . . 9 GLU O rr_1j5j 6
14 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 6
14 1 . 2 . 1 1 9 9 GLU C C . . . . 9 GLU C rr_1j5j 6
15 1 . 1 . 1 1 12 12 GLN H H . . . . 12 GLN HN rr_1j5j 6
15 1 . 2 . 1 1 9 9 GLU O O . . . . 9 GLU O rr_1j5j 6
16 1 . 1 . 1 1 13 13 CYS N N . . . . 13 CYS N rr_1j5j 6
16 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 6
17 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 6
17 1 . 2 . 1 1 10 10 SER C C . . . . 10 SER C rr_1j5j 6
18 1 . 1 . 1 1 13 13 CYS H H . . . . 13 CYS HN rr_1j5j 6
18 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 6
19 1 . 1 . 1 1 14 14 PHE N N . . . . 14 PHE N rr_1j5j 6
19 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 6
20 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 6
20 1 . 2 . 1 1 10 10 SER C C . . . . 10 SER C rr_1j5j 6
21 1 . 1 . 1 1 14 14 PHE H H . . . . 14 PHE HN rr_1j5j 6
21 1 . 2 . 1 1 10 10 SER O O . . . . 10 SER O rr_1j5j 6
22 1 . 1 . 1 1 17 17 CYS N N . . . . 17 CYS N rr_1j5j 6
22 1 . 2 . 1 1 13 13 CYS O O . . . . 13 CYS O rr_1j5j 6
23 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 6
23 1 . 2 . 1 1 13 13 CYS C C . . . . 13 CYS C rr_1j5j 6
24 1 . 1 . 1 1 17 17 CYS H H . . . . 17 CYS HN rr_1j5j 6
24 1 . 2 . 1 1 13 13 CYS O O . . . . 13 CYS O rr_1j5j 6
25 1 . 1 . 1 1 18 18 LYS N N . . . . 18 LYS N rr_1j5j 6
25 1 . 2 . 1 1 14 14 PHE O O . . . . 14 PHE O rr_1j5j 6
26 1 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 6
26 1 . 2 . 1 1 14 14 PHE C C . . . . 14 PHE C rr_1j5j 6
27 1 . 1 . 1 1 18 18 LYS H H . . . . 18 LYS HN rr_1j5j 6
27 1 . 2 . 1 1 14 14 PHE O O . . . . 14 PHE O rr_1j5j 6
28 1 . 1 . 1 1 20 20 ARG N N . . . . 20 ARG N rr_1j5j 6
28 1 . 2 . 1 1 16 16 VAL O O . . . . 16 VAL O rr_1j5j 6
29 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 6
29 1 . 2 . 1 1 16 16 VAL C C . . . . 16 VAL C rr_1j5j 6
30 1 . 1 . 1 1 20 20 ARG H H . . . . 20 ARG HN rr_1j5j 6
30 1 . 2 . 1 1 16 16 VAL O O . . . . 16 VAL O rr_1j5j 6
31 1 . 1 . 1 1 21 21 PHE N N . . . . 21 PHE N rr_1j5j 6
31 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 6
32 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 6
32 1 . 2 . 1 1 17 17 CYS C C . . . . 17 CYS C rr_1j5j 6
33 1 . 1 . 1 1 21 21 PHE H H . . . . 21 PHE HN rr_1j5j 6
33 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 6
34 1 . 1 . 1 1 22 22 GLY N N . . . . 22 GLY N rr_1j5j 6
34 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 6
35 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 6
35 1 . 2 . 1 1 17 17 CYS C C . . . . 17 CYS C rr_1j5j 6
36 1 . 1 . 1 1 22 22 GLY H H . . . . 22 GLY HN rr_1j5j 6
36 1 . 2 . 1 1 17 17 CYS O O . . . . 17 CYS O rr_1j5j 6
37 1 . 1 . 1 1 26 26 GLY N N . . . . 26 GLY N rr_1j5j 6
37 1 . 2 . 1 1 25 25 ASN OD1 O . . . . 25 ASN OD1 rr_1j5j 6
38 1 . 1 . 1 1 26 26 GLY H H . . . . 26 GLY HN rr_1j5j 6
38 1 . 2 . 1 1 25 25 ASN OD1 O . . . . 25 ASN OD1 rr_1j5j 6
39 1 . 1 . 1 1 25 25 ASN H H . . . . 25 ASN HN rr_1j5j 6
39 1 . 2 . 1 1 36 36 PHE C C . . . . 36 PHE C rr_1j5j 6
40 1 . 1 . 1 1 27 27 ARG N N . . . . 27 ARG N rr_1j5j 6
40 1 . 2 . 1 1 34 34 ASP O O . . . . 34 ASP O rr_1j5j 6
41 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 6
41 1 . 2 . 1 1 34 34 ASP C C . . . . 34 ASP C rr_1j5j 6
42 1 . 1 . 1 1 27 27 ARG H H . . . . 27 ARG HN rr_1j5j 6
42 1 . 2 . 1 1 34 34 ASP O O . . . . 34 ASP O rr_1j5j 6
43 1 . 1 . 1 1 28 28 CYS N N . . . . 28 CYS N rr_1j5j 6
43 1 . 2 . 1 1 10 10 SER OG O . . . . 10 SER OG rr_1j5j 6
44 1 . 1 . 1 1 28 28 CYS H H . . . . 28 CYS HN rr_1j5j 6
44 1 . 2 . 1 1 10 10 SER OG O . . . . 10 SER OG rr_1j5j 6
45 1 . 1 . 1 1 29 29 VAL N N . . . . 29 VAL N rr_1j5j 6
45 1 . 2 . 1 1 32 32 PHE O O . . . . 32 PHE O rr_1j5j 6
46 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 6
46 1 . 2 . 1 1 32 32 PHE C C . . . . 32 PHE C rr_1j5j 6
47 1 . 1 . 1 1 29 29 VAL H H . . . . 29 VAL HN rr_1j5j 6
47 1 . 2 . 1 1 32 32 PHE O O . . . . 32 PHE O rr_1j5j 6
48 1 . 1 . 1 1 32 32 PHE N N . . . . 32 PHE N rr_1j5j 6
48 1 . 2 . 1 1 29 29 VAL O O . . . . 29 VAL O rr_1j5j 6
49 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 6
49 1 . 2 . 1 1 29 29 VAL C C . . . . 29 VAL C rr_1j5j 6
50 1 . 1 . 1 1 32 32 PHE H H . . . . 32 PHE HN rr_1j5j 6
50 1 . 2 . 1 1 29 29 VAL O O . . . . 29 VAL O rr_1j5j 6
51 1 . 1 . 1 1 33 33 CYS N N . . . . 33 CYS N rr_1j5j 6
51 1 . 2 . 1 1 5 5 ILE O O . . . . 5 ILE O rr_1j5j 6
52 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 6
52 1 . 2 . 1 1 5 5 ILE C C . . . . 5 ILE C rr_1j5j 6
53 1 . 1 . 1 1 33 33 CYS H H . . . . 33 CYS HN rr_1j5j 6
53 1 . 2 . 1 1 5 5 ILE O O . . . . 5 ILE O rr_1j5j 6
54 1 . 1 . 1 1 34 34 ASP N N . . . . 34 ASP N rr_1j5j 6
54 1 . 2 . 1 1 27 27 ARG O O . . . . 27 ARG O rr_1j5j 6
55 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 6
55 1 . 2 . 1 1 27 27 ARG C C . . . . 27 ARG C rr_1j5j 6
56 1 . 1 . 1 1 34 34 ASP H H . . . . 34 ASP HN rr_1j5j 6
56 1 . 2 . 1 1 27 27 ARG O O . . . . 27 ARG O rr_1j5j 6
57 1 . 1 . 1 1 35 35 CYS N N . . . . 35 CYS N rr_1j5j 6
57 1 . 2 . 1 1 1 1 ARG O O . . . . 1 ARG O rr_1j5j 6
58 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 6
58 1 . 2 . 1 1 1 1 ARG C C . . . . 1 ARG C rr_1j5j 6
59 1 . 1 . 1 1 35 35 CYS H H . . . . 35 CYS HN rr_1j5j 6
59 1 . 2 . 1 1 1 1 ARG O O . . . . 1 ARG O rr_1j5j 6
60 1 . 1 . 1 1 36 36 PHE N N . . . . 36 PHE N rr_1j5j 6
60 1 . 2 . 1 1 25 25 ASN O O . . . . 25 ASN O rr_1j5j 6
61 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 6
61 1 . 2 . 1 1 25 25 ASN C C . . . . 25 ASN C rr_1j5j 6
62 1 . 1 . 1 1 36 36 PHE H H . . . . 36 PHE HN rr_1j5j 6
62 1 . 2 . 1 1 25 25 ASN O O . . . . 25 ASN O rr_1j5j 6
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 . . . . . . . 2.6 . rr_1j5j 6
2 1 . . . . . . . 2.6 . rr_1j5j 6
3 1 . . . . . . . 1.7 . rr_1j5j 6
4 1 . . . . . . . 2.6 . rr_1j5j 6
5 1 . . . . . . . 1.8 . rr_1j5j 6
6 1 . . . . . . . 2.6 . rr_1j5j 6
7 1 . . . . . . . 2.6 . rr_1j5j 6
8 1 . . . . . . . 1.7 . rr_1j5j 6
9 1 . . . . . . . 2.6 . rr_1j5j 6
10 1 . . . . . . . 1.8 . rr_1j5j 6
11 1 . . . . . . . 2.6 . rr_1j5j 6
12 1 . . . . . . . 1.8 . rr_1j5j 6
13 1 . . . . . . . 2.7 . rr_1j5j 6
14 1 . . . . . . . 2.6 . rr_1j5j 6
15 1 . . . . . . . 1.9 . rr_1j5j 6
16 1 . . . . . . . 2.7 . rr_1j5j 6
17 1 . . . . . . . 2.6 . rr_1j5j 6
18 1 . . . . . . . 1.9 . rr_1j5j 6
19 1 . . . . . . . 2.6 . rr_1j5j 6
20 1 . . . . . . . 2.6 . rr_1j5j 6
21 1 . . . . . . . 1.8 . rr_1j5j 6
22 1 . . . . . . . 2.6 . rr_1j5j 6
23 1 . . . . . . . 2.6 . rr_1j5j 6
24 1 . . . . . . . 1.8 . rr_1j5j 6
25 1 . . . . . . . 2.6 . rr_1j5j 6
26 1 . . . . . . . 2.6 . rr_1j5j 6
27 1 . . . . . . . 1.8 . rr_1j5j 6
28 1 . . . . . . . 2.6 . rr_1j5j 6
29 1 . . . . . . . 2.6 . rr_1j5j 6
30 1 . . . . . . . 1.8 . rr_1j5j 6
31 1 . . . . . . . 2.6 . rr_1j5j 6
32 1 . . . . . . . 2.6 . rr_1j5j 6
33 1 . . . . . . . 1.8 . rr_1j5j 6
34 1 . . . . . . . 2.6 . rr_1j5j 6
35 1 . . . . . . . 2.6 . rr_1j5j 6
36 1 . . . . . . . 1.8 . rr_1j5j 6
37 1 . . . . . . . 2.6 . rr_1j5j 6
38 1 . . . . . . . 1.7 . rr_1j5j 6
39 1 . . . . . . . 2.6 . rr_1j5j 6
40 1 . . . . . . . 2.6 . rr_1j5j 6
41 1 . . . . . . . 2.6 . rr_1j5j 6
42 1 . . . . . . . 1.7 . rr_1j5j 6
43 1 . . . . . . . 2.6 . rr_1j5j 6
44 1 . . . . . . . 1.8 . rr_1j5j 6
45 1 . . . . . . . 2.7 . rr_1j5j 6
46 1 . . . . . . . 2.6 . rr_1j5j 6
47 1 . . . . . . . 1.9 . rr_1j5j 6
48 1 . . . . . . . 2.7 . rr_1j5j 6
49 1 . . . . . . . 2.6 . rr_1j5j 6
50 1 . . . . . . . 1.9 . rr_1j5j 6
51 1 . . . . . . . 2.6 . rr_1j5j 6
52 1 . . . . . . . 2.6 . rr_1j5j 6
53 1 . . . . . . . 1.7 . rr_1j5j 6
54 1 . . . . . . . 2.6 . rr_1j5j 6
55 1 . . . . . . . 2.6 . rr_1j5j 6
56 1 . . . . . . . 1.7 . rr_1j5j 6
57 1 . . . . . . . 2.6 . rr_1j5j 6
58 1 . . . . . . . 2.6 . rr_1j5j 6
59 1 . . . . . . . 1.7 . rr_1j5j 6
60 1 . . . . . . . 2.6 . rr_1j5j 6
61 1 . . . . . . . 2.6 . rr_1j5j 6
62 1 . . . . . . . 1.7 . rr_1j5j 6
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 "64 lower H-bond constraints" 1 1 1 29 rr_1j5j 6
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 7 39 1 "Not handling restraint 39, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 6
2 7 41 1 "Not handling restraint 41, item 1, resonance(s) ' .36.O' (nmrStar names) not linked" rr_1j5j 6
stop_
save_
save_DYANA/DIANA_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_8
_Torsion_angle_constraint_list.Entry_ID rr_1j5j
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1j5j 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 CHI1 . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . 30.0 310.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
2 CHI2 . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . 60.0 290.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
3 PSI . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG C C . . 1 1 2 2 PRO N N . 100.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
4 PSI . 1 1 2 2 PRO N N . . 1 1 2 2 PRO CA C . . 1 1 2 2 PRO C C . . 1 1 3 3 THR N N . 130.0 190.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
5 PHI . 1 1 2 2 PRO C C . . 1 1 3 3 THR N N . . 1 1 3 3 THR CA C . . 1 1 3 3 THR C C . -145.0 -90.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
6 CHI1 . 1 1 3 3 THR N N . . 1 1 3 3 THR CA C . . 1 1 3 3 THR CB C . . 1 1 3 3 THR OG1 O . 50.0 80.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
7 PSI . 1 1 3 3 THR N N . . 1 1 3 3 THR CA C . . 1 1 3 3 THR C C . . 1 1 4 4 ASP N N . -180.0 -140.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
8 PHI . 1 1 3 3 THR C C . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . -140.0 -85.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
9 CHI1 . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP CB C . . 1 1 4 4 ASP CG C . 65.0 75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
10 CHI2 . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP CB C . . 1 1 4 4 ASP CG C . . 1 1 4 4 ASP OD1 O . -110.0 150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
11 PSI . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . . 1 1 5 5 ILE N N . -10.0 20.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
12 PHI . 1 1 4 4 ASP C C . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . -95.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
13 CHI1 . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE CB C . . 1 1 5 5 ILE CG1 C . -70.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
14 PSI . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . . 1 1 6 6 LYS N N . 90.0 185.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
15 PHI . 1 1 5 5 ILE C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -80.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
16 CHI1 . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS CB C . . 1 1 6 6 LYS CG C . -310.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
17 CHI2 . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS CB C . . 1 1 6 6 LYS CG C . . 1 1 6 6 LYS CD C . 70.0 280.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
18 PSI . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 CYS N N . 120.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
19 PHI . 1 1 6 6 LYS C C . . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS C C . -165.0 -135.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
20 CHI1 . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS CB C . . 1 1 7 7 CYS SG S . 35.0 65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
21 PSI . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS C C . . 1 1 8 8 SER N N . 120.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
22 PHI . 1 1 7 7 CYS C C . . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER C C . -115.0 -90.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
23 CHI1 . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER CB C . . 1 1 8 8 SER OG O . 45.0 65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
24 PSI . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER C C . . 1 1 9 9 GLU N N . -40.0 20.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
25 PHI . 1 1 8 8 SER C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -175.0 -150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
26 CHI1 . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU CB C . . 1 1 9 9 GLU CG C . -150.0 -40.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
27 CHI2 . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU CB C . . 1 1 9 9 GLU CG C . . 1 1 9 9 GLU CD C . 50.0 310.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
28 PSI . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . . 1 1 10 10 SER N N . 130.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
29 PHI . 1 1 9 9 GLU C C . . 1 1 10 10 SER N N . . 1 1 10 10 SER CA C . . 1 1 10 10 SER C C . -80.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
30 CHI1 . 1 1 10 10 SER N N . . 1 1 10 10 SER CA C . . 1 1 10 10 SER CB C . . 1 1 10 10 SER OG O . -95.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
31 CHI2 . 1 1 10 10 SER CA C . . 1 1 10 10 SER CB C . . 1 1 10 10 SER OG O . . 1 1 10 10 SER HG H . 20.0 290.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
32 PSI . 1 1 10 10 SER N N . . 1 1 10 10 SER CA C . . 1 1 10 10 SER C C . . 1 1 11 11 TYR N N . -60.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
33 PHI . 1 1 10 10 SER C C . . 1 1 11 11 TYR N N . . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR C C . -80.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
34 CHI1 . 1 1 11 11 TYR N N . . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR CB C . . 1 1 11 11 TYR CG C . 50.0 85.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
35 CHI2 . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR CB C . . 1 1 11 11 TYR CG C . . 1 1 11 11 TYR CD1 C . -115.0 90.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
36 PSI . 1 1 11 11 TYR N N . . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR C C . . 1 1 12 12 GLN N N . -50.0 5.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
37 PHI . 1 1 11 11 TYR C C . . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN C C . -85.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
38 CHI1 . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN CB C . . 1 1 12 12 GLN CG C . -105.0 -35.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
39 CHI2 . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN CB C . . 1 1 12 12 GLN CG C . . 1 1 12 12 GLN CD C . -220.0 -100.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
40 PSI . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN C C . . 1 1 13 13 CYS N N . -50.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
41 PHI . 1 1 12 12 GLN C C . . 1 1 13 13 CYS N N . . 1 1 13 13 CYS CA C . . 1 1 13 13 CYS C C . -85.0 -60.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
42 CHI1 . 1 1 13 13 CYS N N . . 1 1 13 13 CYS CA C . . 1 1 13 13 CYS CB C . . 1 1 13 13 CYS SG S . -85.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
43 PSI . 1 1 13 13 CYS N N . . 1 1 13 13 CYS CA C . . 1 1 13 13 CYS C C . . 1 1 14 14 PHE N N . -40.0 15.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
44 PHI . 1 1 13 13 CYS C C . . 1 1 14 14 PHE N N . . 1 1 14 14 PHE CA C . . 1 1 14 14 PHE C C . -75.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
45 CHI1 . 1 1 14 14 PHE N N . . 1 1 14 14 PHE CA C . . 1 1 14 14 PHE CB C . . 1 1 14 14 PHE CG C . 130.0 200.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
46 CHI2 . 1 1 14 14 PHE CA C . . 1 1 14 14 PHE CB C . . 1 1 14 14 PHE CG C . . 1 1 14 14 PHE CD1 C . 40.0 280.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
47 PSI . 1 1 14 14 PHE N N . . 1 1 14 14 PHE CA C . . 1 1 14 14 PHE C C . . 1 1 15 15 PRO N N . -60.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
48 PSI . 1 1 15 15 PRO N N . . 1 1 15 15 PRO CA C . . 1 1 15 15 PRO C C . . 1 1 16 16 VAL N N . -70.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
49 PHI . 1 1 15 15 PRO C C . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . -70.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
50 CHI1 . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL CB C . . 1 1 16 16 VAL CG1 C . 125.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
51 PSI . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . . 1 1 17 17 CYS N N . -80.0 -15.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
52 PHI . 1 1 16 16 VAL C C . . 1 1 17 17 CYS N N . . 1 1 17 17 CYS CA C . . 1 1 17 17 CYS C C . -75.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
53 CHI1 . 1 1 17 17 CYS N N . . 1 1 17 17 CYS CA C . . 1 1 17 17 CYS CB C . . 1 1 17 17 CYS SG S . -95.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
54 PSI . 1 1 17 17 CYS N N . . 1 1 17 17 CYS CA C . . 1 1 17 17 CYS C C . . 1 1 18 18 LYS N N . -90.0 -20.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
55 PHI . 1 1 17 17 CYS C C . . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS C C . -70.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
56 CHI1 . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS CB C . . 1 1 18 18 LYS CG C . -200.0 -140.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
57 CHI2 . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS CB C . . 1 1 18 18 LYS CG C . . 1 1 18 18 LYS CD C . -280.0 -80.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
58 PSI . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS C C . . 1 1 19 19 SER N N . -60.0 15.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
59 PHI . 1 1 18 18 LYS C C . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . -170.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
60 CHI1 . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER CB C . . 1 1 19 19 SER OG O . -300.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
61 PSI . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . . 1 1 20 20 ARG N N . -90.0 -20.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
62 PHI . 1 1 19 19 SER C C . . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG C C . -85.0 -65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
63 CHI1 . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG CB C . . 1 1 20 20 ARG CG C . 75.0 235.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
64 CHI2 . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG CB C . . 1 1 20 20 ARG CG C . . 1 1 20 20 ARG CD C . 50.0 300.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
65 PSI . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG C C . . 1 1 21 21 PHE N N . -90.0 0.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
66 PHI . 1 1 20 20 ARG C C . . 1 1 21 21 PHE N N . . 1 1 21 21 PHE CA C . . 1 1 21 21 PHE C C . -140.0 -65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
67 CHI1 . 1 1 21 21 PHE N N . . 1 1 21 21 PHE CA C . . 1 1 21 21 PHE CB C . . 1 1 21 21 PHE CG C . -85.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
68 PSI . 1 1 21 21 PHE N N . . 1 1 21 21 PHE CA C . . 1 1 21 21 PHE C C . . 1 1 22 22 GLY N N . -80.0 0.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
69 PHI . 1 1 21 21 PHE C C . . 1 1 22 22 GLY N N . . 1 1 22 22 GLY CA C . . 1 1 22 22 GLY C C . 70.0 150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
70 PSI . 1 1 22 22 GLY N N . . 1 1 22 22 GLY CA C . . 1 1 22 22 GLY C C . . 1 1 23 23 LYS N N . 20.0 80.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
71 PHI . 1 1 22 22 GLY C C . . 1 1 23 23 LYS N N . . 1 1 23 23 LYS CA C . . 1 1 23 23 LYS C C . -130.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
72 CHI1 . 1 1 23 23 LYS N N . . 1 1 23 23 LYS CA C . . 1 1 23 23 LYS CB C . . 1 1 23 23 LYS CG C . -135.0 -60.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
73 CHI2 . 1 1 23 23 LYS CA C . . 1 1 23 23 LYS CB C . . 1 1 23 23 LYS CG C . . 1 1 23 23 LYS CD C . 30.0 260.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
74 PSI . 1 1 23 23 LYS N N . . 1 1 23 23 LYS CA C . . 1 1 23 23 LYS C C . . 1 1 24 24 THR N N . 150.0 200.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
75 PHI . 1 1 23 23 LYS C C . . 1 1 24 24 THR N N . . 1 1 24 24 THR CA C . . 1 1 24 24 THR C C . -105.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
76 CHI1 . 1 1 24 24 THR N N . . 1 1 24 24 THR CA C . . 1 1 24 24 THR CB C . . 1 1 24 24 THR OG1 O . 15.0 105.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
77 PSI . 1 1 24 24 THR N N . . 1 1 24 24 THR CA C . . 1 1 24 24 THR C C . . 1 1 25 25 ASN N N . -70.0 0.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
78 PHI . 1 1 24 24 THR C C . . 1 1 25 25 ASN N N . . 1 1 25 25 ASN CA C . . 1 1 25 25 ASN C C . -165.0 -135.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
79 CHI1 . 1 1 25 25 ASN N N . . 1 1 25 25 ASN CA C . . 1 1 25 25 ASN CB C . . 1 1 25 25 ASN CG C . -190.0 -140.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
80 CHI2 . 1 1 25 25 ASN CA C . . 1 1 25 25 ASN CB C . . 1 1 25 25 ASN CG C . . 1 1 25 25 ASN OD1 O . -120.0 70.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
81 PSI . 1 1 25 25 ASN N N . . 1 1 25 25 ASN CA C . . 1 1 25 25 ASN C C . . 1 1 26 26 GLY N N . 140.0 190.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
82 PHI . 1 1 25 25 ASN C C . . 1 1 26 26 GLY N N . . 1 1 26 26 GLY CA C . . 1 1 26 26 GLY C C . -180.0 -130.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
83 PSI . 1 1 26 26 GLY N N . . 1 1 26 26 GLY CA C . . 1 1 26 26 GLY C C . . 1 1 27 27 ARG N N . 140.0 190.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
84 PHI . 1 1 26 26 GLY C C . . 1 1 27 27 ARG N N . . 1 1 27 27 ARG CA C . . 1 1 27 27 ARG C C . -165.0 -130.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
85 CHI1 . 1 1 27 27 ARG N N . . 1 1 27 27 ARG CA C . . 1 1 27 27 ARG CB C . . 1 1 27 27 ARG CG C . 40.0 310.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
86 CHI2 . 1 1 27 27 ARG CA C . . 1 1 27 27 ARG CB C . . 1 1 27 27 ARG CG C . . 1 1 27 27 ARG CD C . -290.0 -60.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
87 PSI . 1 1 27 27 ARG N N . . 1 1 27 27 ARG CA C . . 1 1 27 27 ARG C C . . 1 1 28 28 CYS N N . 100.0 170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
88 PHI . 1 1 27 27 ARG C C . . 1 1 28 28 CYS N N . . 1 1 28 28 CYS CA C . . 1 1 28 28 CYS C C . -105.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
89 CHI1 . 1 1 28 28 CYS N N . . 1 1 28 28 CYS CA C . . 1 1 28 28 CYS CB C . . 1 1 28 28 CYS SG S . -185.0 -145.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
90 PSI . 1 1 28 28 CYS N N . . 1 1 28 28 CYS CA C . . 1 1 28 28 CYS C C . . 1 1 29 29 VAL N N . 80.0 130.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
91 PHI . 1 1 28 28 CYS C C . . 1 1 29 29 VAL N N . . 1 1 29 29 VAL CA C . . 1 1 29 29 VAL C C . -145.0 -95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
92 CHI1 . 1 1 29 29 VAL N N . . 1 1 29 29 VAL CA C . . 1 1 29 29 VAL CB C . . 1 1 29 29 VAL CG1 C . -200.0 -150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
93 PSI . 1 1 29 29 VAL N N . . 1 1 29 29 VAL CA C . . 1 1 29 29 VAL C C . . 1 1 30 30 ASN N N . 110.0 150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
94 PHI . 1 1 29 29 VAL C C . . 1 1 30 30 ASN N N . . 1 1 30 30 ASN CA C . . 1 1 30 30 ASN C C . 50.0 80.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
95 CHI1 . 1 1 30 30 ASN N N . . 1 1 30 30 ASN CA C . . 1 1 30 30 ASN CB C . . 1 1 30 30 ASN CG C . -105.0 -30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
96 CHI2 . 1 1 30 30 ASN CA C . . 1 1 30 30 ASN CB C . . 1 1 30 30 ASN CG C . . 1 1 30 30 ASN OD1 O . -120.0 150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
97 PSI . 1 1 30 30 ASN N N . . 1 1 30 30 ASN CA C . . 1 1 30 30 ASN C C . . 1 1 31 31 GLY N N . 10.0 50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
98 PHI . 1 1 30 30 ASN C C . . 1 1 31 31 GLY N N . . 1 1 31 31 GLY CA C . . 1 1 31 31 GLY C C . 40.0 100.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
99 PSI . 1 1 31 31 GLY N N . . 1 1 31 31 GLY CA C . . 1 1 31 31 GLY C C . . 1 1 32 32 PHE N N . -10.0 30.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
100 PHI . 1 1 31 31 GLY C C . . 1 1 32 32 PHE N N . . 1 1 32 32 PHE CA C . . 1 1 32 32 PHE C C . -140.0 -95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
101 CHI1 . 1 1 32 32 PHE N N . . 1 1 32 32 PHE CA C . . 1 1 32 32 PHE CB C . . 1 1 32 32 PHE CG C . -85.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
102 PSI . 1 1 32 32 PHE N N . . 1 1 32 32 PHE CA C . . 1 1 32 32 PHE C C . . 1 1 33 33 CYS N N . 135.0 180.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
103 PHI . 1 1 32 32 PHE C C . . 1 1 33 33 CYS N N . . 1 1 33 33 CYS CA C . . 1 1 33 33 CYS C C . -75.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
104 CHI1 . 1 1 33 33 CYS N N . . 1 1 33 33 CYS CA C . . 1 1 33 33 CYS CB C . . 1 1 33 33 CYS SG S . -85.0 -50.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
105 PSI . 1 1 33 33 CYS N N . . 1 1 33 33 CYS CA C . . 1 1 33 33 CYS C C . . 1 1 34 34 ASP N N . 110.0 150.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
106 PHI . 1 1 33 33 CYS C C . . 1 1 34 34 ASP N N . . 1 1 34 34 ASP CA C . . 1 1 34 34 ASP C C . -145.0 -125.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
107 CHI1 . 1 1 34 34 ASP N N . . 1 1 34 34 ASP CA C . . 1 1 34 34 ASP CB C . . 1 1 34 34 ASP CG C . -190.0 -170.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
108 PSI . 1 1 34 34 ASP N N . . 1 1 34 34 ASP CA C . . 1 1 34 34 ASP C C . . 1 1 35 35 CYS N N . 70.0 160.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
109 PHI . 1 1 34 34 ASP C C . . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS C C . -145.0 -95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
110 CHI1 . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS CB C . . 1 1 35 35 CYS SG S . -85.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
111 PSI . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS C C . . 1 1 36 36 PHE N N . 120.0 180.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
112 PHI . 1 1 35 35 CYS C C . . 1 1 36 36 PHE N N . . 1 1 36 36 PHE CA C . . 1 1 36 36 PHE C C . -165.0 -130.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
113 CHI1 . 1 1 36 36 PHE N N . . 1 1 36 36 PHE CA C . . 1 1 36 36 PHE CB C . . 1 1 36 36 PHE CG C . 45.0 65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
114 CHI2 . 1 1 36 36 PHE CA C . . 1 1 36 36 PHE CB C . . 1 1 36 36 PHE CG C . . 1 1 36 36 PHE CD1 C . 60.0 290.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1j5j 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "TORSION ANGLE CONSTRAINTS (deg)" 2 1 2 33 rr_1j5j 1
2 "33 PHI, 35 PSI, 31 CHI1, 15 CHI2" 3 1 3 34 rr_1j5j 1
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_1j5j
_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 TOXIN 16-APR-02 1J5J *TITLE SOLUTION STRUCTURE OF HERG-SPECIFIC SCORPION TOXIN BEKM-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BEKM-1 TOXIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BUTHUS EUPEUS; *SOURCE 3 ORGANISM_COMMON: LESSER ASIAN SCORPION; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: HB101; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEZZ18 *KEYWDS ALPHA-BETA MOTIF, CYSTEINE-KNOT MOTIF *EXPDTA NMR *AUTHOR Y.V.KOROLOKOVA, E.V.BOCHAROV, K.ANGELO, I.V.MASLENNIKOV, *AUTHOR 2 O.V.GRINENKO, A.V.LIPKIN, E.D.NOSIREVA, K.A.PLUZHNIKOV, S.- *AUTHOR 3 P.OLESEN, A.S.ARSENIEV, E.V.GRISHIN *REVDAT 1 20-NOV-02 1J5J 0"
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 6:44:52 PM GMT (wattos1)