NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381615 |
1j5m   |
4725 | cing | 3-converted-DOCR | STAR | entry | full | 280 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1j5m
# This DOCR archive file contains, for PDB entry <1j5m>:
#
# - 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_1j5m
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1j5m"
_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 1j5m"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1j5m
_Assembly.ID 1
_Assembly.Name 1j5m
_Assembly.Number_of_components 4
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 3
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3172.5223
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 "METALLOTHIONEIN 1" 1 $METALLOTHIONEIN_1 A . no . . . . . . rr_1j5m 1
2 "CADMIUM ION" 2 $CADMIUM_ION B . no . . . . . . rr_1j5m 1
3 "CADMIUM ION" 2 $CADMIUM_ION C . no . . . . . . rr_1j5m 1
4 "CADMIUM ION" 2 $CADMIUM_ION D . no . . . . . . rr_1j5m 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Sf_framecode METALLOTHIONEIN_1
_Entity.Entry_ID rr_1j5m
_Entity.ID 1
_Entity.Name METALLOTHIONEIN_1
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;PGPCCKDKCECAEGGCKTGC
KCTSCRCA
;
_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 28
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2835.2923
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 . PRO . rr_1j5m 1
2 . GLY . rr_1j5m 1
3 . PRO . rr_1j5m 1
4 . CYS . rr_1j5m 1
5 . CYS . rr_1j5m 1
6 . LYS . rr_1j5m 1
7 . ASP . rr_1j5m 1
8 . LYS . rr_1j5m 1
9 . CYS . rr_1j5m 1
10 . GLU . rr_1j5m 1
11 . CYS . rr_1j5m 1
12 . ALA . rr_1j5m 1
13 . GLU . rr_1j5m 1
14 . GLY . rr_1j5m 1
15 . GLY . rr_1j5m 1
16 . CYS . rr_1j5m 1
17 . LYS . rr_1j5m 1
18 . THR . rr_1j5m 1
19 . GLY . rr_1j5m 1
20 . CYS . rr_1j5m 1
21 . LYS . rr_1j5m 1
22 . CYS . rr_1j5m 1
23 . THR . rr_1j5m 1
24 . SER . rr_1j5m 1
25 . CYS . rr_1j5m 1
26 . ARG . rr_1j5m 1
27 . CYS . rr_1j5m 1
28 . ALA . rr_1j5m 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
. PRO 1 1 rr_1j5m 1
. GLY 2 2 rr_1j5m 1
. PRO 3 3 rr_1j5m 1
. CYS 4 4 rr_1j5m 1
. CYS 5 5 rr_1j5m 1
. LYS 6 6 rr_1j5m 1
. ASP 7 7 rr_1j5m 1
. LYS 8 8 rr_1j5m 1
. CYS 9 9 rr_1j5m 1
. GLU 10 10 rr_1j5m 1
. CYS 11 11 rr_1j5m 1
. ALA 12 12 rr_1j5m 1
. GLU 13 13 rr_1j5m 1
. GLY 14 14 rr_1j5m 1
. GLY 15 15 rr_1j5m 1
. CYS 16 16 rr_1j5m 1
. LYS 17 17 rr_1j5m 1
. THR 18 18 rr_1j5m 1
. GLY 19 19 rr_1j5m 1
. CYS 20 20 rr_1j5m 1
. LYS 21 21 rr_1j5m 1
. CYS 22 22 rr_1j5m 1
. THR 23 23 rr_1j5m 1
. SER 24 24 rr_1j5m 1
. CYS 25 25 rr_1j5m 1
. ARG 26 26 rr_1j5m 1
. CYS 27 27 rr_1j5m 1
. ALA 28 28 rr_1j5m 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Sf_framecode CADMIUM_ION
_Entity.Entry_ID rr_1j5m
_Entity.ID 2
_Entity.Name CADMIUM_ION
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID CD
_Entity.Nonpolymer_comp_label $chem_comp_CD
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . CD . rr_1j5m 2
stop_
save_
save_chem_comp_CD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CD
_Chem_comp.Entry_ID rr_1j5m
_Chem_comp.ID CD
_Chem_comp.Name "CADMIUM ION"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code CD
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Cd
_Chem_comp.Formula_weight 112.41
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1j5m
_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_1j5m
_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_1j5m 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_1j5m 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 PRO C C 12.962 0.214 7.332 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_1j5m 1
. 1 . 2 . 1 1 1 PRO CA C 12.692 0.310 8.835 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_1j5m 1
. 1 . 3 . 1 1 1 PRO CB C 13.074 -1.005 9.513 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_1j5m 1
. 1 . 4 . 1 1 1 PRO CD C 10.682 -0.576 9.880 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_1j5m 1
. 1 . 5 . 1 1 1 PRO CG C 11.815 -1.559 10.168 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_1j5m 1
. 1 . 6 . 1 1 1 PRO H3 H 10.737 0.601 8.160 . . . 1.0 . . . . . . . . . . . . A . 1 PRO H3 . . . . . . . . . rr_1j5m 1
. 1 . 7 . 1 1 1 PRO HA H 13.270 1.117 9.259 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_1j5m 1
. 1 . 8 . 1 1 1 PRO HB2 H 13.444 -1.704 8.777 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_1j5m 1
. 1 . 9 . 1 1 1 PRO HB3 H 13.830 -0.826 10.263 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_1j5m 1
. 1 . 10 . 1 1 1 PRO HD2 H 9.900 -1.073 9.326 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_1j5m 1
. 1 . 11 . 1 1 1 PRO HD3 H 10.284 -0.196 10.810 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_1j5m 1
. 1 . 12 . 1 1 1 PRO HG2 H 11.578 -2.526 9.749 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_1j5m 1
. 1 . 13 . 1 1 1 PRO HG3 H 11.964 -1.647 11.234 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_1j5m 1
. 1 . 14 . 1 1 1 PRO N N 11.235 0.553 9.071 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_1j5m 1
. 1 . 15 . 1 1 1 PRO O O 12.094 -0.136 6.557 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_1j5m 1
. 1 . 16 . 1 1 2 GLY C C 13.540 1.370 4.681 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1j5m 1
. 1 . 17 . 1 1 2 GLY CA C 14.482 0.449 5.461 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1j5m 1
. 1 . 18 . 1 1 2 GLY H H 14.845 0.802 7.555 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1j5m 1
. 1 . 19 . 1 1 2 GLY HA2 H 15.503 0.762 5.303 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1j5m 1
. 1 . 20 . 1 1 2 GLY HA3 H 14.360 -0.567 5.116 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1j5m 1
. 1 . 21 . 1 1 2 GLY N N 14.159 0.522 6.914 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1j5m 1
. 1 . 22 . 1 1 2 GLY O O 12.477 0.956 4.264 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1j5m 1
. 1 . 23 . 1 1 3 PRO C C 13.391 3.479 2.270 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_1j5m 1
. 1 . 24 . 1 1 3 PRO CA C 13.181 3.616 3.783 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_1j5m 1
. 1 . 25 . 1 1 3 PRO CB C 13.773 4.936 4.282 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_1j5m 1
. 1 . 26 . 1 1 3 PRO CD C 15.254 3.090 5.033 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_1j5m 1
. 1 . 27 . 1 1 3 PRO CG C 15.201 4.611 4.791 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_1j5m 1
. 1 . 28 . 1 1 3 PRO HA H 12.136 3.557 4.037 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_1j5m 1
. 1 . 29 . 1 1 3 PRO HB2 H 13.822 5.649 3.472 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_1j5m 1
. 1 . 30 . 1 1 3 PRO HB3 H 13.173 5.330 5.088 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_1j5m 1
. 1 . 31 . 1 1 3 PRO HD2 H 16.080 2.648 4.487 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_1j5m 1
. 1 . 32 . 1 1 3 PRO HD3 H 15.340 2.877 6.088 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_1j5m 1
. 1 . 33 . 1 1 3 PRO HG2 H 15.932 4.892 4.046 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_1j5m 1
. 1 . 34 . 1 1 3 PRO HG3 H 15.393 5.139 5.713 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_1j5m 1
. 1 . 35 . 1 1 3 PRO N N 13.962 2.598 4.510 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_1j5m 1
. 1 . 36 . 1 1 3 PRO O O 13.305 4.442 1.534 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_1j5m 1
. 1 . 37 . 1 1 4 CYS C C 14.112 0.635 0.041 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 38 . 1 1 4 CYS CA C 13.926 2.112 0.341 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 39 . 1 1 4 CYS CB C 15.220 2.825 -0.051 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 40 . 1 1 4 CYS H H 13.771 1.537 2.407 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 41 . 1 1 4 CYS HA H 13.100 2.509 -0.228 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 42 . 1 1 4 CYS HB2 H 15.626 2.376 -0.945 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 43 . 1 1 4 CYS HB3 H 15.019 3.871 -0.228 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 44 . 1 1 4 CYS N N 13.686 2.298 1.801 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 45 . 1 1 4 CYS O O 13.952 -0.214 0.895 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 46 . 1 1 4 CYS SG S 16.402 2.654 1.308 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 47 . 1 1 5 CYS C C 13.691 -1.989 -0.919 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 48 . 1 1 5 CYS CA C 14.747 -1.074 -1.539 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 49 . 1 1 5 CYS CB C 16.136 -1.452 -1.036 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 50 . 1 1 5 CYS H H 14.644 1.048 -1.820 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 51 . 1 1 5 CYS HA H 14.719 -1.170 -2.614 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 52 . 1 1 5 CYS HB2 H 16.167 -1.392 0.042 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 53 . 1 1 5 CYS HB3 H 16.367 -2.455 -1.356 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 54 . 1 1 5 CYS N N 14.494 0.335 -1.165 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 55 . 1 1 5 CYS O O 13.940 -3.146 -0.648 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 56 . 1 1 5 CYS SG S 17.339 -0.305 -1.753 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 57 . 1 1 6 LYS C C 10.794 -3.158 -1.235 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_1j5m 1
. 1 . 58 . 1 1 6 LYS CA C 11.435 -2.331 -0.120 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_1j5m 1
. 1 . 59 . 1 1 6 LYS CB C 10.376 -1.439 0.531 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_1j5m 1
. 1 . 60 . 1 1 6 LYS CD C 8.547 -0.045 -0.446 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_1j5m 1
. 1 . 61 . 1 1 6 LYS CE C 8.184 1.205 0.357 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_1j5m 1
. 1 . 62 . 1 1 6 LYS CG C 10.061 -0.262 -0.394 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_1j5m 1
. 1 . 63 . 1 1 6 LYS H H 12.323 -0.551 -0.942 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_1j5m 1
. 1 . 64 . 1 1 6 LYS HA H 11.860 -2.991 0.622 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_1j5m 1
. 1 . 65 . 1 1 6 LYS HB2 H 9.477 -2.013 0.702 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 66 . 1 1 6 LYS HB3 H 10.749 -1.066 1.474 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 67 . 1 1 6 LYS HD2 H 8.237 0.084 -1.473 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_1j5m 1
. 1 . 68 . 1 1 6 LYS HD3 H 8.046 -0.903 -0.024 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_1j5m 1
. 1 . 69 . 1 1 6 LYS HE2 H 7.110 1.318 0.380 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_1j5m 1
. 1 . 70 . 1 1 6 LYS HE3 H 8.557 1.106 1.366 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_1j5m 1
. 1 . 71 . 1 1 6 LYS HG2 H 10.540 0.630 -0.018 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_1j5m 1
. 1 . 72 . 1 1 6 LYS HG3 H 10.428 -0.477 -1.387 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_1j5m 1
. 1 . 73 . 1 1 6 LYS HZ1 H 8.069 3.133 -0.421 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_1j5m 1
. 1 . 74 . 1 1 6 LYS HZ2 H 9.199 2.135 -1.205 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_1j5m 1
. 1 . 75 . 1 1 6 LYS HZ3 H 9.549 2.777 0.328 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_1j5m 1
. 1 . 76 . 1 1 6 LYS N N 12.508 -1.484 -0.706 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_1j5m 1
. 1 . 77 . 1 1 6 LYS NZ N 8.796 2.403 -0.283 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_1j5m 1
. 1 . 78 . 1 1 6 LYS O O 10.039 -4.077 -0.986 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_1j5m 1
. 1 . 79 . 1 1 7 ASP C C 11.599 -3.948 -4.609 . . . 1.0 . . . . . . . . . . . . A . 7 ASP C . . . . . . . . . rr_1j5m 1
. 1 . 80 . 1 1 7 ASP CA C 10.502 -3.594 -3.601 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CA . . . . . . . . . rr_1j5m 1
. 1 . 81 . 1 1 7 ASP CB C 9.441 -2.732 -4.285 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CB . . . . . . . . . rr_1j5m 1
. 1 . 82 . 1 1 7 ASP CG C 8.079 -2.988 -3.639 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CG . . . . . . . . . rr_1j5m 1
. 1 . 83 . 1 1 7 ASP H H 11.698 -2.089 -2.644 . . . 1.0 . . . . . . . . . . . . A . 7 ASP H . . . . . . . . . rr_1j5m 1
. 1 . 84 . 1 1 7 ASP HA H 10.045 -4.500 -3.231 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HA . . . . . . . . . rr_1j5m 1
. 1 . 85 . 1 1 7 ASP HB2 H 9.701 -1.689 -4.175 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB2 . . . . . . . . . rr_1j5m 1
. 1 . 86 . 1 1 7 ASP HB3 H 9.398 -2.982 -5.332 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB3 . . . . . . . . . rr_1j5m 1
. 1 . 87 . 1 1 7 ASP N N 11.090 -2.835 -2.466 . . . 1.0 . . . . . . . . . . . . A . 7 ASP N . . . . . . . . . rr_1j5m 1
. 1 . 88 . 1 1 7 ASP O O 11.572 -4.996 -5.224 . . . 1.0 . . . . . . . . . . . . A . 7 ASP O . . . . . . . . . rr_1j5m 1
. 1 . 89 . 1 1 7 ASP OD1 O 8.027 -3.064 -2.422 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD1 . . . . . . . . . rr_1j5m 1
. 1 . 90 . 1 1 7 ASP OD2 O 7.110 -3.105 -4.371 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD2 . . . . . . . . . rr_1j5m 1
. 1 . 91 . 1 1 8 LYS C C 15.015 -3.022 -5.157 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1j5m 1
. 1 . 92 . 1 1 8 LYS CA C 13.651 -3.382 -5.766 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1j5m 1
. 1 . 93 . 1 1 8 LYS CB C 13.420 -2.575 -7.046 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1j5m 1
. 1 . 94 . 1 1 8 LYS CD C 11.354 -1.175 -6.911 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1j5m 1
. 1 . 95 . 1 1 8 LYS CE C 10.975 0.069 -7.717 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1j5m 1
. 1 . 96 . 1 1 8 LYS CG C 12.868 -1.194 -6.685 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1j5m 1
. 1 . 97 . 1 1 8 LYS H H 12.569 -2.242 -4.290 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1j5m 1
. 1 . 98 . 1 1 8 LYS HA H 13.636 -4.436 -6.003 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1j5m 1
. 1 . 99 . 1 1 8 LYS HB2 H 14.355 -2.461 -7.574 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 100 . 1 1 8 LYS HB3 H 12.712 -3.093 -7.675 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 101 . 1 1 8 LYS HD2 H 11.061 -2.060 -7.456 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1j5m 1
. 1 . 102 . 1 1 8 LYS HD3 H 10.848 -1.155 -5.958 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1j5m 1
. 1 . 103 . 1 1 8 LYS HE2 H 11.472 0.933 -7.300 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1j5m 1
. 1 . 104 . 1 1 8 LYS HE3 H 11.279 -0.060 -8.745 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1j5m 1
. 1 . 105 . 1 1 8 LYS HG2 H 13.079 -0.982 -5.648 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1j5m 1
. 1 . 106 . 1 1 8 LYS HG3 H 13.334 -0.446 -7.308 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1j5m 1
. 1 . 107 . 1 1 8 LYS HZ1 H 9.158 0.612 -8.576 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1j5m 1
. 1 . 108 . 1 1 8 LYS HZ2 H 9.274 0.968 -6.919 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1j5m 1
. 1 . 109 . 1 1 8 LYS HZ3 H 9.036 -0.634 -7.432 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1j5m 1
. 1 . 110 . 1 1 8 LYS N N 12.563 -3.084 -4.791 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1j5m 1
. 1 . 111 . 1 1 8 LYS NZ N 9.499 0.269 -7.657 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1j5m 1
. 1 . 112 . 1 1 8 LYS O O 15.535 -3.741 -4.328 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1j5m 1
. 1 . 113 . 1 1 9 CYS C C 17.428 -0.274 -5.726 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 114 . 1 1 9 CYS CA C 16.924 -1.532 -5.002 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 115 . 1 1 9 CYS CB C 17.909 -2.690 -5.198 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 116 . 1 1 9 CYS H H 15.174 -1.352 -6.223 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 117 . 1 1 9 CYS HA H 16.816 -1.323 -3.955 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 118 . 1 1 9 CYS HB2 H 17.592 -3.532 -4.603 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 119 . 1 1 9 CYS HB3 H 17.923 -2.974 -6.240 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 120 . 1 1 9 CYS N N 15.600 -1.921 -5.559 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 121 . 1 1 9 CYS O O 17.126 -0.052 -6.881 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 122 . 1 1 9 CYS SG S 19.573 -2.189 -4.691 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 123 . 1 1 10 GLU C C 20.155 2.028 -5.324 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1j5m 1
. 1 . 124 . 1 1 10 GLU CA C 18.689 1.807 -5.702 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1j5m 1
. 1 . 125 . 1 1 10 GLU CB C 17.855 2.998 -5.224 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1j5m 1
. 1 . 126 . 1 1 10 GLU CD C 15.880 3.793 -6.531 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1j5m 1
. 1 . 127 . 1 1 10 GLU CG C 16.379 2.744 -5.535 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1j5m 1
. 1 . 128 . 1 1 10 GLU H H 18.410 0.368 -4.118 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1j5m 1
. 1 . 129 . 1 1 10 GLU HA H 18.606 1.721 -6.774 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1j5m 1
. 1 . 130 . 1 1 10 GLU HB2 H 17.981 3.121 -4.159 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1j5m 1
. 1 . 131 . 1 1 10 GLU HB3 H 18.182 3.893 -5.731 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1j5m 1
. 1 . 132 . 1 1 10 GLU HG2 H 16.266 1.758 -5.963 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1j5m 1
. 1 . 133 . 1 1 10 GLU HG3 H 15.803 2.808 -4.624 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1j5m 1
. 1 . 134 . 1 1 10 GLU N N 18.183 0.559 -5.052 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1j5m 1
. 1 . 135 . 1 1 10 GLU O O 21.052 1.748 -6.094 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1j5m 1
. 1 . 136 . 1 1 10 GLU OE1 O 16.269 3.718 -7.685 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1j5m 1
. 1 . 137 . 1 1 10 GLU OE2 O 15.117 4.653 -6.122 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1j5m 1
. 1 . 138 . 1 1 11 CYS C C 22.583 3.517 -4.763 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 139 . 1 1 11 CYS CA C 21.811 2.731 -3.706 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 140 . 1 1 11 CYS CB C 22.445 1.376 -3.558 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 141 . 1 1 11 CYS H H 19.682 2.709 -3.527 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 142 . 1 1 11 CYS HA H 21.834 3.252 -2.762 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 143 . 1 1 11 CYS HB2 H 21.679 0.664 -3.286 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 144 . 1 1 11 CYS HB3 H 22.874 1.101 -4.502 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 145 . 1 1 11 CYS N N 20.408 2.513 -4.138 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 146 . 1 1 11 CYS O O 23.798 3.505 -4.793 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 147 . 1 1 11 CYS SG S 23.716 1.426 -2.272 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 148 . 1 1 12 ALA C C 22.212 6.432 -6.609 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1j5m 1
. 1 . 149 . 1 1 12 ALA CA C 22.608 4.960 -6.695 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1j5m 1
. 1 . 150 . 1 1 12 ALA CB C 22.224 4.410 -8.070 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1j5m 1
. 1 . 151 . 1 1 12 ALA H H 20.919 4.177 -5.594 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1j5m 1
. 1 . 152 . 1 1 12 ALA HA H 23.674 4.866 -6.556 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1j5m 1
. 1 . 153 . 1 1 12 ALA HB1 H 23.082 4.444 -8.724 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1j5m 1
. 1 . 154 . 1 1 12 ALA HB2 H 21.428 5.008 -8.488 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1j5m 1
. 1 . 155 . 1 1 12 ALA HB3 H 21.890 3.388 -7.968 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1j5m 1
. 1 . 156 . 1 1 12 ALA N N 21.898 4.187 -5.634 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1j5m 1
. 1 . 157 . 1 1 12 ALA O O 23.044 7.316 -6.653 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1j5m 1
. 1 . 158 . 1 1 13 GLU C C 20.279 8.443 -4.921 . . . 1.0 . . . . . . . . . . . . A . 13 GLU C . . . . . . . . . rr_1j5m 1
. 1 . 159 . 1 1 13 GLU CA C 20.477 8.097 -6.389 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CA . . . . . . . . . rr_1j5m 1
. 1 . 160 . 1 1 13 GLU CB C 19.147 8.204 -7.119 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CB . . . . . . . . . rr_1j5m 1
. 1 . 161 . 1 1 13 GLU CD C 17.729 9.943 -8.210 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CD . . . . . . . . . rr_1j5m 1
. 1 . 162 . 1 1 13 GLU CG C 18.632 9.633 -7.014 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CG . . . . . . . . . rr_1j5m 1
. 1 . 163 . 1 1 13 GLU H H 20.296 5.969 -6.446 . . . 1.0 . . . . . . . . . . . . A . 13 GLU H . . . . . . . . . rr_1j5m 1
. 1 . 164 . 1 1 13 GLU HA H 21.200 8.763 -6.836 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HA . . . . . . . . . rr_1j5m 1
. 1 . 165 . 1 1 13 GLU HB2 H 19.287 7.937 -8.151 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB2 . . . . . . . . . rr_1j5m 1
. 1 . 166 . 1 1 13 GLU HB3 H 18.434 7.531 -6.666 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB3 . . . . . . . . . rr_1j5m 1
. 1 . 167 . 1 1 13 GLU HG2 H 18.072 9.741 -6.099 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG2 . . . . . . . . . rr_1j5m 1
. 1 . 168 . 1 1 13 GLU HG3 H 19.469 10.313 -7.007 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG3 . . . . . . . . . rr_1j5m 1
. 1 . 169 . 1 1 13 GLU N N 20.947 6.696 -6.483 . . . 1.0 . . . . . . . . . . . . A . 13 GLU N . . . . . . . . . rr_1j5m 1
. 1 . 170 . 1 1 13 GLU O O 19.398 9.196 -4.557 . . . 1.0 . . . . . . . . . . . . A . 13 GLU O . . . . . . . . . rr_1j5m 1
. 1 . 171 . 1 1 13 GLU OE1 O 18.132 9.650 -9.323 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE1 . . . . . . . . . rr_1j5m 1
. 1 . 172 . 1 1 13 GLU OE2 O 16.649 10.467 -7.991 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE2 . . . . . . . . . rr_1j5m 1
. 1 . 173 . 1 1 14 GLY C C 19.687 7.311 -2.149 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . rr_1j5m 1
. 1 . 174 . 1 1 14 GLY CA C 20.905 8.110 -2.616 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . rr_1j5m 1
. 1 . 175 . 1 1 14 GLY H H 21.747 7.228 -4.394 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . rr_1j5m 1
. 1 . 176 . 1 1 14 GLY HA2 H 21.785 7.781 -2.085 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . rr_1j5m 1
. 1 . 177 . 1 1 14 GLY HA3 H 20.742 9.164 -2.441 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . rr_1j5m 1
. 1 . 178 . 1 1 14 GLY N N 21.069 7.859 -4.072 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . rr_1j5m 1
. 1 . 179 . 1 1 14 GLY O O 19.218 7.448 -1.037 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . rr_1j5m 1
. 1 . 180 . 1 1 15 GLY C C 18.057 5.120 -1.255 . . . 1.0 . . . . . . . . . . . . A . 15 GLY C . . . . . . . . . rr_1j5m 1
. 1 . 181 . 1 1 15 GLY CA C 17.986 5.653 -2.690 . . . 1.0 . . . . . . . . . . . . A . 15 GLY CA . . . . . . . . . rr_1j5m 1
. 1 . 182 . 1 1 15 GLY H H 19.573 6.401 -3.908 . . . 1.0 . . . . . . . . . . . . A . 15 GLY H . . . . . . . . . rr_1j5m 1
. 1 . 183 . 1 1 15 GLY HA2 H 17.094 6.249 -2.807 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA2 . . . . . . . . . rr_1j5m 1
. 1 . 184 . 1 1 15 GLY HA3 H 17.951 4.817 -3.379 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA3 . . . . . . . . . rr_1j5m 1
. 1 . 185 . 1 1 15 GLY N N 19.174 6.479 -3.018 . . . 1.0 . . . . . . . . . . . . A . 15 GLY N . . . . . . . . . rr_1j5m 1
. 1 . 186 . 1 1 15 GLY O O 17.047 4.784 -0.669 . . . 1.0 . . . . . . . . . . . . A . 15 GLY O . . . . . . . . . rr_1j5m 1
. 1 . 187 . 1 1 16 CYS C C 19.655 5.529 1.711 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 188 . 1 1 16 CYS CA C 19.310 4.451 0.691 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 189 . 1 1 16 CYS CB C 20.355 3.348 0.710 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 190 . 1 1 16 CYS H H 20.042 5.244 -1.165 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 191 . 1 1 16 CYS HA H 18.360 4.030 0.950 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 192 . 1 1 16 CYS HB2 H 21.343 3.777 0.643 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 193 . 1 1 16 CYS HB3 H 20.265 2.779 1.617 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 194 . 1 1 16 CYS N N 19.227 5.003 -0.685 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 195 . 1 1 16 CYS O O 20.241 6.547 1.400 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 196 . 1 1 16 CYS SG S 20.045 2.286 -0.715 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 197 . 1 1 17 LYS C C 20.216 5.576 5.191 . . . 1.0 . . . . . . . . . . . . A . 17 LYS C . . . . . . . . . rr_1j5m 1
. 1 . 198 . 1 1 17 LYS CA C 19.537 6.283 4.016 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CA . . . . . . . . . rr_1j5m 1
. 1 . 199 . 1 1 17 LYS CB C 18.203 6.869 4.485 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CB . . . . . . . . . rr_1j5m 1
. 1 . 200 . 1 1 17 LYS CD C 17.618 6.962 6.912 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CD . . . . . . . . . rr_1j5m 1
. 1 . 201 . 1 1 17 LYS CE C 16.187 7.503 6.923 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CE . . . . . . . . . rr_1j5m 1
. 1 . 202 . 1 1 17 LYS CG C 18.410 7.638 5.792 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CG . . . . . . . . . rr_1j5m 1
. 1 . 203 . 1 1 17 LYS H H 18.790 4.467 3.142 . . . 1.0 . . . . . . . . . . . . A . 17 LYS H . . . . . . . . . rr_1j5m 1
. 1 . 204 . 1 1 17 LYS HA H 20.172 7.073 3.645 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HA . . . . . . . . . rr_1j5m 1
. 1 . 205 . 1 1 17 LYS HB2 H 17.819 7.540 3.730 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 206 . 1 1 17 LYS HB3 H 17.495 6.063 4.646 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 207 . 1 1 17 LYS HD2 H 17.598 5.895 6.746 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HD2 . . . . . . . . . rr_1j5m 1
. 1 . 208 . 1 1 17 LYS HD3 H 18.088 7.169 7.862 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HD3 . . . . . . . . . rr_1j5m 1
. 1 . 209 . 1 1 17 LYS HE2 H 16.209 8.579 7.005 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HE2 . . . . . . . . . rr_1j5m 1
. 1 . 210 . 1 1 17 LYS HE3 H 15.689 7.222 6.006 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HE3 . . . . . . . . . rr_1j5m 1
. 1 . 211 . 1 1 17 LYS HG2 H 19.460 7.641 6.045 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HG2 . . . . . . . . . rr_1j5m 1
. 1 . 212 . 1 1 17 LYS HG3 H 18.067 8.654 5.670 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HG3 . . . . . . . . . rr_1j5m 1
. 1 . 213 . 1 1 17 LYS HZ1 H 15.586 5.901 8.110 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ1 . . . . . . . . . rr_1j5m 1
. 1 . 214 . 1 1 17 LYS HZ2 H 14.434 7.144 7.988 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ2 . . . . . . . . . rr_1j5m 1
. 1 . 215 . 1 1 17 LYS HZ3 H 15.809 7.349 8.964 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ3 . . . . . . . . . rr_1j5m 1
. 1 . 216 . 1 1 17 LYS N N 19.270 5.298 2.935 . . . 1.0 . . . . . . . . . . . . A . 17 LYS N . . . . . . . . . rr_1j5m 1
. 1 . 217 . 1 1 17 LYS NZ N 15.448 6.931 8.084 . . . 1.0 . . . . . . . . . . . . A . 17 LYS NZ . . . . . . . . . rr_1j5m 1
. 1 . 218 . 1 1 17 LYS O O 21.337 5.877 5.550 . . . 1.0 . . . . . . . . . . . . A . 17 LYS O . . . . . . . . . rr_1j5m 1
. 1 . 219 . 1 1 18 THR C C 19.301 2.627 7.152 . . . 1.0 . . . . . . . . . . . . A . 18 THR C . . . . . . . . . rr_1j5m 1
. 1 . 220 . 1 1 18 THR CA C 20.107 3.897 6.938 . . . 1.0 . . . . . . . . . . . . A . 18 THR CA . . . . . . . . . rr_1j5m 1
. 1 . 221 . 1 1 18 THR CB C 19.995 4.746 8.203 . . . 1.0 . . . . . . . . . . . . A . 18 THR CB . . . . . . . . . rr_1j5m 1
. 1 . 222 . 1 1 18 THR CG2 C 20.841 6.002 8.059 . . . 1.0 . . . . . . . . . . . . A . 18 THR CG2 . . . . . . . . . rr_1j5m 1
. 1 . 223 . 1 1 18 THR H H 18.642 4.416 5.476 . . . 1.0 . . . . . . . . . . . . A . 18 THR H . . . . . . . . . rr_1j5m 1
. 1 . 224 . 1 1 18 THR HA H 21.133 3.656 6.741 . . . 1.0 . . . . . . . . . . . . A . 18 THR HA . . . . . . . . . rr_1j5m 1
. 1 . 225 . 1 1 18 THR HB H 20.339 4.176 9.049 . . . 1.0 . . . . . . . . . . . . A . 18 THR HB . . . . . . . . . rr_1j5m 1
. 1 . 226 . 1 1 18 THR HG1 H 18.509 5.281 9.337 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG1 . . . . . . . . . rr_1j5m 1
. 1 . 227 . 1 1 18 THR HG21 H 20.317 6.713 7.439 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG21 . . . . . . . . . rr_1j5m 1
. 1 . 228 . 1 1 18 THR HG22 H 21.785 5.749 7.603 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG22 . . . . . . . . . rr_1j5m 1
. 1 . 229 . 1 1 18 THR HG23 H 21.013 6.431 9.034 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG23 . . . . . . . . . rr_1j5m 1
. 1 . 230 . 1 1 18 THR N N 19.536 4.637 5.787 . . . 1.0 . . . . . . . . . . . . A . 18 THR N . . . . . . . . . rr_1j5m 1
. 1 . 231 . 1 1 18 THR O O 19.720 1.533 6.829 . . . 1.0 . . . . . . . . . . . . A . 18 THR O . . . . . . . . . rr_1j5m 1
. 1 . 232 . 1 1 18 THR OG1 O 18.637 5.111 8.401 . . . 1.0 . . . . . . . . . . . . A . 18 THR OG1 . . . . . . . . . rr_1j5m 1
. 1 . 233 . 1 1 19 GLY C C 17.305 0.622 6.800 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_1j5m 1
. 1 . 234 . 1 1 19 GLY CA C 17.252 1.615 7.969 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_1j5m 1
. 1 . 235 . 1 1 19 GLY H H 17.842 3.687 7.954 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_1j5m 1
. 1 . 236 . 1 1 19 GLY HA2 H 17.582 1.124 8.871 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_1j5m 1
. 1 . 237 . 1 1 19 GLY HA3 H 16.237 1.958 8.100 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_1j5m 1
. 1 . 238 . 1 1 19 GLY N N 18.136 2.784 7.704 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_1j5m 1
. 1 . 239 . 1 1 19 GLY O O 17.020 -0.546 6.976 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_1j5m 1
. 1 . 240 . 1 1 20 CYS C C 18.074 -1.256 4.860 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 241 . 1 1 20 CYS CA C 17.720 0.167 4.424 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 242 . 1 1 20 CYS CB C 18.806 0.660 3.463 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 243 . 1 1 20 CYS H H 17.862 2.027 5.502 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 244 . 1 1 20 CYS HA H 16.767 0.163 3.917 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 245 . 1 1 20 CYS HB2 H 18.523 1.624 3.065 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 246 . 1 1 20 CYS HB3 H 19.742 0.751 3.994 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 247 . 1 1 20 CYS N N 17.653 1.078 5.614 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 248 . 1 1 20 CYS O O 19.168 -1.522 5.317 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 249 . 1 1 20 CYS SG S 18.995 -0.524 2.102 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 250 . 1 1 21 LYS C C 17.657 -4.407 3.838 . . . 1.0 . . . . . . . . . . . . A . 21 LYS C . . . . . . . . . rr_1j5m 1
. 1 . 251 . 1 1 21 LYS CA C 17.453 -3.578 5.104 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CA . . . . . . . . . rr_1j5m 1
. 1 . 252 . 1 1 21 LYS CB C 16.280 -4.145 5.907 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CB . . . . . . . . . rr_1j5m 1
. 1 . 253 . 1 1 21 LYS CD C 13.829 -4.539 5.629 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CD . . . . . . . . . rr_1j5m 1
. 1 . 254 . 1 1 21 LYS CE C 13.238 -4.977 4.288 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CE . . . . . . . . . rr_1j5m 1
. 1 . 255 . 1 1 21 LYS CG C 14.972 -3.551 5.385 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CG . . . . . . . . . rr_1j5m 1
. 1 . 256 . 1 1 21 LYS H H 16.291 -1.944 4.328 . . . 1.0 . . . . . . . . . . . . A . 21 LYS H . . . . . . . . . rr_1j5m 1
. 1 . 257 . 1 1 21 LYS HA H 18.349 -3.607 5.704 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HA . . . . . . . . . rr_1j5m 1
. 1 . 258 . 1 1 21 LYS HB2 H 16.256 -5.220 5.799 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 259 . 1 1 21 LYS HB3 H 16.401 -3.891 6.949 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 260 . 1 1 21 LYS HD2 H 14.206 -5.403 6.156 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD2 . . . . . . . . . rr_1j5m 1
. 1 . 261 . 1 1 21 LYS HD3 H 13.062 -4.062 6.222 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD3 . . . . . . . . . rr_1j5m 1
. 1 . 262 . 1 1 21 LYS HE2 H 12.370 -4.375 4.063 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE2 . . . . . . . . . rr_1j5m 1
. 1 . 263 . 1 1 21 LYS HE3 H 13.977 -4.849 3.510 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE3 . . . . . . . . . rr_1j5m 1
. 1 . 264 . 1 1 21 LYS HG2 H 14.767 -2.626 5.902 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG2 . . . . . . . . . rr_1j5m 1
. 1 . 265 . 1 1 21 LYS HG3 H 15.063 -3.359 4.327 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG3 . . . . . . . . . rr_1j5m 1
. 1 . 266 . 1 1 21 LYS HZ1 H 13.536 -6.991 3.852 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ1 . . . . . . . . . rr_1j5m 1
. 1 . 267 . 1 1 21 LYS HZ2 H 11.902 -6.534 3.934 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ2 . . . . . . . . . rr_1j5m 1
. 1 . 268 . 1 1 21 LYS HZ3 H 12.810 -6.710 5.359 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ3 . . . . . . . . . rr_1j5m 1
. 1 . 269 . 1 1 21 LYS N N 17.162 -2.175 4.711 . . . 1.0 . . . . . . . . . . . . A . 21 LYS N . . . . . . . . . rr_1j5m 1
. 1 . 270 . 1 1 21 LYS NZ N 12.842 -6.411 4.364 . . . 1.0 . . . . . . . . . . . . A . 21 LYS NZ . . . . . . . . . rr_1j5m 1
. 1 . 271 . 1 1 21 LYS O O 17.807 -5.612 3.888 . . . 1.0 . . . . . . . . . . . . A . 21 LYS O . . . . . . . . . rr_1j5m 1
. 1 . 272 . 1 1 22 CYS C C 19.290 -5.026 1.351 . . . 1.0 . . . . . . . . . . . . A . 22 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 273 . 1 1 22 CYS CA C 17.852 -4.514 1.428 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 274 . 1 1 22 CYS CB C 17.564 -3.579 0.250 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 275 . 1 1 22 CYS H H 17.535 -2.790 2.682 . . . 1.0 . . . . . . . . . . . . A . 22 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 276 . 1 1 22 CYS HA H 17.168 -5.347 1.401 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 277 . 1 1 22 CYS HB2 H 16.498 -3.429 0.174 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 278 . 1 1 22 CYS HB3 H 18.047 -2.629 0.423 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 279 . 1 1 22 CYS N N 17.661 -3.766 2.700 . . . 1.0 . . . . . . . . . . . . A . 22 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 280 . 1 1 22 CYS O O 20.222 -4.266 1.174 . . . 1.0 . . . . . . . . . . . . A . 22 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 281 . 1 1 22 CYS SG S 18.183 -4.293 -1.303 . . . 1.0 . . . . . . . . . . . . A . 22 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 282 . 1 1 23 THR C C 21.206 -7.161 -0.057 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . rr_1j5m 1
. 1 . 283 . 1 1 23 THR CA C 20.856 -6.871 1.404 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . rr_1j5m 1
. 1 . 284 . 1 1 23 THR CB C 20.924 -8.169 2.213 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . rr_1j5m 1
. 1 . 285 . 1 1 23 THR CG2 C 21.718 -7.930 3.498 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . rr_1j5m 1
. 1 . 286 . 1 1 23 THR H H 18.713 -6.907 1.614 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . rr_1j5m 1
. 1 . 287 . 1 1 23 THR HA H 21.558 -6.157 1.808 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . rr_1j5m 1
. 1 . 288 . 1 1 23 THR HB H 21.414 -8.933 1.629 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . rr_1j5m 1
. 1 . 289 . 1 1 23 THR HG1 H 19.601 -9.551 2.563 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . rr_1j5m 1
. 1 . 290 . 1 1 23 THR HG21 H 21.048 -7.951 4.345 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . rr_1j5m 1
. 1 . 291 . 1 1 23 THR HG22 H 22.203 -6.966 3.447 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . rr_1j5m 1
. 1 . 292 . 1 1 23 THR HG23 H 22.464 -8.703 3.610 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . rr_1j5m 1
. 1 . 293 . 1 1 23 THR N N 19.479 -6.311 1.476 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . rr_1j5m 1
. 1 . 294 . 1 1 23 THR O O 21.843 -8.147 -0.370 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . rr_1j5m 1
. 1 . 295 . 1 1 23 THR OG1 O 19.607 -8.591 2.539 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . rr_1j5m 1
. 1 . 296 . 1 1 24 SER C C 22.063 -5.446 -2.876 . . . 1.0 . . . . . . . . . . . . A . 24 SER C . . . . . . . . . rr_1j5m 1
. 1 . 297 . 1 1 24 SER CA C 21.098 -6.528 -2.392 . . . 1.0 . . . . . . . . . . . . A . 24 SER CA . . . . . . . . . rr_1j5m 1
. 1 . 298 . 1 1 24 SER CB C 19.804 -6.460 -3.205 . . . 1.0 . . . . . . . . . . . . A . 24 SER CB . . . . . . . . . rr_1j5m 1
. 1 . 299 . 1 1 24 SER H H 20.282 -5.519 -0.680 . . . 1.0 . . . . . . . . . . . . A . 24 SER H . . . . . . . . . rr_1j5m 1
. 1 . 300 . 1 1 24 SER HA H 21.553 -7.499 -2.518 . . . 1.0 . . . . . . . . . . . . A . 24 SER HA . . . . . . . . . rr_1j5m 1
. 1 . 301 . 1 1 24 SER HB2 H 19.421 -5.450 -3.188 . . . 1.0 . . . . . . . . . . . . A . 24 SER HB2 . . . . . . . . . rr_1j5m 1
. 1 . 302 . 1 1 24 SER HB3 H 20.005 -6.752 -4.225 . . . 1.0 . . . . . . . . . . . . A . 24 SER HB3 . . . . . . . . . rr_1j5m 1
. 1 . 303 . 1 1 24 SER HG H 18.054 -6.831 -2.444 . . . 1.0 . . . . . . . . . . . . A . 24 SER HG . . . . . . . . . rr_1j5m 1
. 1 . 304 . 1 1 24 SER N N 20.793 -6.307 -0.953 . . . 1.0 . . . . . . . . . . . . A . 24 SER N . . . . . . . . . rr_1j5m 1
. 1 . 305 . 1 1 24 SER O O 22.794 -5.636 -3.828 . . . 1.0 . . . . . . . . . . . . A . 24 SER O . . . . . . . . . rr_1j5m 1
. 1 . 306 . 1 1 24 SER OG O 18.844 -7.340 -2.640 . . . 1.0 . . . . . . . . . . . . A . 24 SER OG . . . . . . . . . rr_1j5m 1
. 1 . 307 . 1 1 25 CYS C C 24.271 -3.259 -1.820 . . . 1.0 . . . . . . . . . . . . A . 25 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 308 . 1 1 25 CYS CA C 23.007 -3.231 -2.666 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 309 . 1 1 25 CYS CB C 22.352 -1.845 -2.528 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 310 . 1 1 25 CYS H H 21.486 -4.173 -1.460 . . . 1.0 . . . . . . . . . . . . A . 25 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 311 . 1 1 25 CYS HA H 23.277 -3.393 -3.699 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 312 . 1 1 25 CYS HB2 H 23.128 -1.090 -2.523 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 313 . 1 1 25 CYS HB3 H 21.702 -1.677 -3.371 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 314 . 1 1 25 CYS N N 22.078 -4.310 -2.228 . . . 1.0 . . . . . . . . . . . . A . 25 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 315 . 1 1 25 CYS O O 24.273 -3.701 -0.688 . . . 1.0 . . . . . . . . . . . . A . 25 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 316 . 1 1 25 CYS SG S 21.388 -1.722 -0.988 . . . 1.0 . . . . . . . . . . . . A . 25 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 317 . 1 1 26 ARG C C 26.477 -1.523 -0.638 . . . 1.0 . . . . . . . . . . . . A . 26 ARG C . . . . . . . . . rr_1j5m 1
. 1 . 318 . 1 1 26 ARG CA C 26.608 -2.701 -1.590 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CA . . . . . . . . . rr_1j5m 1
. 1 . 319 . 1 1 26 ARG CB C 27.764 -2.465 -2.557 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CB . . . . . . . . . rr_1j5m 1
. 1 . 320 . 1 1 26 ARG CD C 28.799 -0.304 -3.270 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CD . . . . . . . . . rr_1j5m 1
. 1 . 321 . 1 1 26 ARG CG C 27.526 -1.152 -3.306 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CG . . . . . . . . . rr_1j5m 1
. 1 . 322 . 1 1 26 ARG CZ C 30.125 0.358 -5.185 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CZ . . . . . . . . . rr_1j5m 1
. 1 . 323 . 1 1 26 ARG H H 25.299 -2.378 -3.263 . . . 1.0 . . . . . . . . . . . . A . 26 ARG H . . . . . . . . . rr_1j5m 1
. 1 . 324 . 1 1 26 ARG HA H 26.753 -3.618 -1.039 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HA . . . . . . . . . rr_1j5m 1
. 1 . 325 . 1 1 26 ARG HB2 H 28.691 -2.407 -2.008 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HB2 . . . . . . . . . rr_1j5m 1
. 1 . 326 . 1 1 26 ARG HB3 H 27.810 -3.280 -3.264 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HB3 . . . . . . . . . rr_1j5m 1
. 1 . 327 . 1 1 26 ARG HD2 H 28.534 0.743 -3.276 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HD2 . . . . . . . . . rr_1j5m 1
. 1 . 328 . 1 1 26 ARG HD3 H 29.356 -0.530 -2.372 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HD3 . . . . . . . . . rr_1j5m 1
. 1 . 329 . 1 1 26 ARG HE H 29.818 -1.544 -4.706 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HE . . . . . . . . . rr_1j5m 1
. 1 . 330 . 1 1 26 ARG HG2 H 27.264 -1.366 -4.332 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HG2 . . . . . . . . . rr_1j5m 1
. 1 . 331 . 1 1 26 ARG HG3 H 26.717 -0.611 -2.835 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HG3 . . . . . . . . . rr_1j5m 1
. 1 . 332 . 1 1 26 ARG HH11 H 28.466 0.584 -6.282 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HH11 . . . . . . . . . rr_1j5m 1
. 1 . 333 . 1 1 26 ARG HH12 H 29.773 1.651 -6.673 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HH12 . . . . . . . . . rr_1j5m 1
. 1 . 334 . 1 1 26 ARG HH21 H 31.899 0.358 -4.257 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HH21 . . . . . . . . . rr_1j5m 1
. 1 . 335 . 1 1 26 ARG HH22 H 31.717 1.523 -5.526 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HH22 . . . . . . . . . rr_1j5m 1
. 1 . 336 . 1 1 26 ARG N N 25.340 -2.752 -2.358 . . . 1.0 . . . . . . . . . . . . A . 26 ARG N . . . . . . . . . rr_1j5m 1
. 1 . 337 . 1 1 26 ARG NE N 29.636 -0.613 -4.463 . . . 1.0 . . . . . . . . . . . . A . 26 ARG NE . . . . . . . . . rr_1j5m 1
. 1 . 338 . 1 1 26 ARG NH1 N 29.398 0.907 -6.120 . . . 1.0 . . . . . . . . . . . . A . 26 ARG NH1 . . . . . . . . . rr_1j5m 1
. 1 . 339 . 1 1 26 ARG NH2 N 31.342 0.779 -4.973 . . . 1.0 . . . . . . . . . . . . A . 26 ARG NH2 . . . . . . . . . rr_1j5m 1
. 1 . 340 . 1 1 26 ARG O O 27.185 -0.540 -0.727 . . . 1.0 . . . . . . . . . . . . A . 26 ARG O . . . . . . . . . rr_1j5m 1
. 1 . 341 . 1 1 27 CYS C C 26.243 -0.527 2.328 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . rr_1j5m 1
. 1 . 342 . 1 1 27 CYS CA C 25.247 -0.488 1.168 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . rr_1j5m 1
. 1 . 343 . 1 1 27 CYS CB C 23.834 -0.662 1.697 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . rr_1j5m 1
. 1 . 344 . 1 1 27 CYS H H 24.937 -2.394 0.245 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . rr_1j5m 1
. 1 . 345 . 1 1 27 CYS HA H 25.320 0.449 0.655 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . rr_1j5m 1
. 1 . 346 . 1 1 27 CYS HB2 H 23.267 -1.287 1.023 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . rr_1j5m 1
. 1 . 347 . 1 1 27 CYS HB3 H 23.882 -1.123 2.662 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . rr_1j5m 1
. 1 . 348 . 1 1 27 CYS N N 25.517 -1.605 0.235 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . rr_1j5m 1
. 1 . 349 . 1 1 27 CYS O O 26.925 0.439 2.605 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . rr_1j5m 1
. 1 . 350 . 1 1 27 CYS SG S 23.043 0.950 1.842 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . rr_1j5m 1
. 1 . 351 . 1 1 28 ALA C C 28.265 -2.886 3.897 . . . 1.0 . . . . . . . . . . . . A . 28 ALA C . . . . . . . . . rr_1j5m 1
. 1 . 352 . 1 1 28 ALA CA C 27.286 -1.737 4.149 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CA . . . . . . . . . rr_1j5m 1
. 1 . 353 . 1 1 28 ALA CB C 26.510 -2.002 5.440 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CB . . . . . . . . . rr_1j5m 1
. 1 . 354 . 1 1 28 ALA H H 25.775 -2.406 2.767 . . . 1.0 . . . . . . . . . . . . A . 28 ALA H . . . . . . . . . rr_1j5m 1
. 1 . 355 . 1 1 28 ALA HA H 27.834 -0.811 4.242 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HA . . . . . . . . . rr_1j5m 1
. 1 . 356 . 1 1 28 ALA HB1 H 26.230 -1.062 5.891 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB1 . . . . . . . . . rr_1j5m 1
. 1 . 357 . 1 1 28 ALA HB2 H 27.131 -2.560 6.125 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB2 . . . . . . . . . rr_1j5m 1
. 1 . 358 . 1 1 28 ALA HB3 H 25.620 -2.572 5.214 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB3 . . . . . . . . . rr_1j5m 1
. 1 . 359 . 1 1 28 ALA N N 26.334 -1.637 3.008 . . . 1.0 . . . . . . . . . . . . A . 28 ALA N . . . . . . . . . rr_1j5m 1
. 1 . 360 . 1 1 28 ALA O O 29.343 -2.855 4.468 . . . 1.0 . . . . . . . . . . . . A . 28 ALA O . . . . . . . . . rr_1j5m 1
. 1 . 361 . 1 1 28 ALA OXT O 27.920 -3.776 3.138 . . . 1.0 . . . . . . . . . . . . A . 28 ALA OXT . . . . . . . . . rr_1j5m 1
. 1 . 362 . 2 2 1 CD CD Cd 19.126 -2.084 -2.176 . . . 1.0 . . . . . . . . . . . . A . 29 CD CD . . . . . . . . . rr_1j5m 1
. 1 . 363 . 3 2 1 CD CD Cd 18.096 1.019 0.281 . . . 1.0 . . . . . . . . . . . . A . 30 CD CD . . . . . . . . . rr_1j5m 1
. 1 . 364 . 4 2 1 CD CD Cd 22.033 0.730 -0.502 . . . 1.0 . . . . . . . . . . . . A . 31 CD CD . . . . . . . . . rr_1j5m 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_1j5m
_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 1j5m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 2 distance NOE simple 251 rr_1j5m 1
1 1j5m.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 27 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 6 rr_1j5m 1
1 1j5m.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5m 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_1j5m
_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: '1j5m'" . . . . distance "general distance" . 251 rr_1j5m 1
2 "From CCPN project: '1j5m'" . . . . distance "hydrogen bond" . 6 rr_1j5m 1
3 "From CCPN project: '1j5m'" . . . . "dihedral angle" "Not applicable" . 23 rr_1j5m 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 1j5m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 2 distance NOE simple 251 rr_1j5m 1
1 1j5m.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 27 rr_1j5m 1
1 1j5m.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 6 rr_1j5m 1
1 1j5m.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5m 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1j5m
_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_1j5m 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 17 17 LYS H H . . . 1 1 16 16 CYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 17 LYS H . . A . 16 CYS HB3 . . . 17 . HN . . . . . 16 . HB1 . . rr_1j5m 1
2 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 LYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 CYS H . . A . 8 LYS HB2 . . . 9 . HN . . . . . 8 . HB2 . . rr_1j5m 1
3 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 20 CYS H . . A . 20 CYS HB2 . . . 20 . HN . . . . . 20 . HB2 . . rr_1j5m 1
4 1 . . 1 1 15 15 GLY H H . . . 1 1 15 15 GLY HA2 H . . . . . 2.7 1.8 2.7 . . . . . A . 15 GLY H . . A . 15 GLY HA2 . . . 15 . HN . . . . . 15 . HA2 . . rr_1j5m 1
5 1 . . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 22 CYS H . . A . 22 CYS HB2 . . . 22 . HN . . . . . 22 . HB2 . . rr_1j5m 1
6 1 . . 1 1 28 28 ALA H H . . . 1 1 27 27 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 28 ALA H . . A . 27 CYS HB2 . . . 28 . HN . . . . . 27 . HB2 . . rr_1j5m 1
7 1 . . 1 1 18 18 THR H H . . . 1 1 18 18 THR HA H . . . . . 2.7 1.8 2.7 . . . . . A . 18 THR H . . A . 18 THR HA . . . 18 . HN . . . . . 18 . HA . . rr_1j5m 1
8 1 . . 1 1 27 27 CYS HB2 H . . . 1 1 27 27 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 27 CYS HB2 . . A . 27 CYS HA . . . 27 . HB2 . . . . . 27 . HA . . rr_1j5m 1
9 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_1j5m 1
10 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 5 CYS H . . A . 5 CYS HA . . . 5 . HN . . . . . 5 . HA . . rr_1j5m 1
11 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 9 CYS H . . A . 9 CYS HA . . . 9 . HN . . . . . 9 . HA . . rr_1j5m 1
12 1 . . 1 1 23 23 THR MG H . . . 1 1 23 23 THR HA H . . . . . 3.2 1.6 3.2 . . . . . A . 23 THR MG . . A . 23 THR HA . . . 23 . HG2* . . . . . 23 . HA . . rr_1j5m 1
13 1 . . 1 1 13 13 GLU H H . . . 1 1 14 14 GLY H H . . . . . 2.7 1.8 2.7 . . . . . A . 13 GLU H . . A . 14 GLY H . . . 13 . HN . . . . . 14 . HN . . rr_1j5m 1
14 1 . . 1 1 18 18 THR HA H . . . 1 1 18 18 THR MG H . . . . . 3.2 1.6 3.2 . . . . . A . 18 THR MG . . A . 18 THR HA . . . 18 . HG2* . . . . . 18 . HA . . rr_1j5m 1
15 1 OR . 1 1 8 8 LYS HG3 H . . . 1 1 8 8 LYS HD2 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 LYS HD2 . . A . 8 LYS HG3 . . . 8 . HD* . . . . . 8 . HG1 . . rr_1j5m 1
15 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HG3 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 LYS HD3 . . A . 8 LYS HG3 . . . 8 . HD* . . . . . 8 . HG1 . . rr_1j5m 1
16 1 . . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA2 H . . . . . 2.7 1.8 2.7 . . . . . A . 14 GLY H . . A . 14 GLY HA2 . . . 14 . HN . . . . . 14 . HA2 . . rr_1j5m 1
17 1 . . 1 1 21 21 LYS H H . . . 1 1 20 20 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 21 LYS H . . A . 20 CYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1j5m 1
18 1 . . 1 1 17 17 LYS H H . . . 1 1 16 16 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 17 LYS H . . A . 16 CYS HA . . . 17 . HN . . . . . 16 . HA . . rr_1j5m 1
19 1 . . 1 1 19 19 GLY H H . . . 1 1 18 18 THR HB H . . . . . 2.7 1.8 2.7 . . . . . A . 19 GLY H . . A . 18 THR HB . . . 19 . HN . . . . . 18 . HB . . rr_1j5m 1
20 1 . . 1 1 23 23 THR H H . . . 1 1 22 22 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 23 THR H . . A . 22 CYS HA . . . 23 . HN . . . . . 22 . HA . . rr_1j5m 1
21 1 OR . 1 1 18 18 THR MG H . . . 1 1 17 17 LYS HG2 H . . . . . 3.2 1.6 3.2 . . . . . A . 17 LYS HG2 . . A . 18 THR MG . . . 17 . HG* . . . . . 18 . HG2* . . rr_1j5m 1
21 2 OR . 1 1 18 18 THR MG H . . . 1 1 17 17 LYS HG3 H . . . . . 3.2 1.6 3.2 . . . . . A . 17 LYS HG3 . . A . 18 THR MG . . . 17 . HG* . . . . . 18 . HG2* . . rr_1j5m 1
22 1 . . 1 1 13 13 GLU H H . . . 1 1 13 13 GLU HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 13 GLU H . . A . 13 GLU HB2 . . . 13 . HN . . . . . 13 . HB2 . . rr_1j5m 1
23 1 . . 1 1 10 10 GLU HB3 H . . . 1 1 10 10 GLU HA H . . . . . 2.7 1.8 2.7 . . . . . A . 10 GLU HB3 . . A . 10 GLU HA . . . 10 . HB1 . . . . . 10 . HA . . rr_1j5m 1
24 1 OR . 1 1 22 22 CYS HB3 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 22 CYS HB3 . . A . 5 CYS HB2 . . . 22 . HB1 . . . . . 5 . HB* . . rr_1j5m 1
24 2 OR . 1 1 22 22 CYS HB3 H . . . 1 1 5 5 CYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 22 CYS HB3 . . A . 5 CYS HB3 . . . 22 . HB1 . . . . . 5 . HB* . . rr_1j5m 1
25 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 16 CYS H . . A . 16 CYS HB2 . . . 16 . HN . . . . . 16 . HB2 . . rr_1j5m 1
26 1 . . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 27 CYS H . . A . 27 CYS HB3 . . . 27 . HN . . . . . 27 . HB1 . . rr_1j5m 1
27 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS H . . A . 4 CYS HB3 . . . 5 . HN . . . . . 4 . HB1 . . rr_1j5m 1
28 1 . . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 14 GLY H . . A . 14 GLY HA3 . . . 14 . HN . . . . . 14 . HA1 . . rr_1j5m 1
29 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 GLU H H . . . . . 3.6 1.8 3.6 . . . . . A . 11 CYS H . . A . 10 GLU H . . . 11 . HN . . . . . 10 . HN . . rr_1j5m 1
30 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ASP H H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 7 ASP H . . . 6 . HN . . . . . 7 . HN . . rr_1j5m 1
31 1 . . 1 1 13 13 GLU H H . . . 1 1 12 12 ALA H H . . . . . 3.6 1.8 3.6 . . . . . A . 12 ALA H . . A . 13 GLU H . . . 12 . HN . . . . . 13 . HN . . rr_1j5m 1
32 1 . . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS H . . A . 22 CYS HA . . . 22 . HN . . . . . 22 . HA . . rr_1j5m 1
33 1 OR . 1 1 13 13 GLU H H . . . 1 1 13 13 GLU HG2 H . . . . . 4.3 1.8 4.3 . . . . . A . 13 GLU H . . A . 13 GLU HG2 . . . 13 . HN . . . . . 13 . HG* . . rr_1j5m 1
33 2 OR . 1 1 13 13 GLU H H . . . 1 1 13 13 GLU HG3 H . . . . . 4.3 1.8 4.3 . . . . . A . 13 GLU H . . A . 13 GLU HG3 . . . 13 . HN . . . . . 13 . HG* . . rr_1j5m 1
34 1 . . 1 1 8 8 LYS HG3 H . . . 1 1 8 8 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS H . . A . 8 LYS HG3 . . . 8 . HN . . . . . 8 . HG1 . . rr_1j5m 1
35 1 . . 1 1 15 15 GLY H H . . . 1 1 13 13 GLU HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 15 GLY H . . A . 13 GLU HB3 . . . 15 . HN . . . . . 13 . HB1 . . rr_1j5m 1
36 1 . . 1 1 14 14 GLY H H . . . 1 1 13 13 GLU HA H . . . . . 3.6 1.8 3.6 . . . . . A . 14 GLY H . . A . 13 GLU HA . . . 14 . HN . . . . . 13 . HA . . rr_1j5m 1
37 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_1j5m 1
38 1 . . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 21 LYS H . . A . 21 LYS HA . . . 21 . HN . . . . . 21 . HA . . rr_1j5m 1
39 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 22 22 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS HA . . A . 22 CYS HB2 . . . 22 . HA . . . . . 22 . HB2 . . rr_1j5m 1
40 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 PRO HD3 H . . . . . 3.6 1.8 3.6 . . . . . A . 4 CYS H . . A . 3 PRO HD3 . . . 4 . HN . . . . . 3 . HD1 . . rr_1j5m 1
41 1 . . 1 1 28 28 ALA H H . . . 1 1 27 27 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 28 ALA H . . A . 27 CYS HB3 . . . 28 . HN . . . . . 27 . HB1 . . rr_1j5m 1
42 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ALA H H . . . . . 3.6 1.8 3.6 . . . . . A . 11 CYS H . . A . 12 ALA H . . . 11 . HN . . . . . 12 . HN . . rr_1j5m 1
43 1 . . 1 1 13 13 GLU H H . . . 1 1 13 13 GLU HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 13 GLU H . . A . 13 GLU HB3 . . . 13 . HN . . . . . 13 . HB1 . . rr_1j5m 1
44 1 . . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 19 GLY H . . A . 19 GLY HA3 . . . 19 . HN . . . . . 19 . HA1 . . rr_1j5m 1
45 1 . . 1 1 24 24 SER HA H . . . 1 1 24 24 SER HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 24 SER HA . . A . 24 SER HB3 . . . 24 . HA . . . . . 24 . HB1 . . rr_1j5m 1
46 1 . . 1 1 18 18 THR MG H . . . 1 1 19 19 GLY H H . . . . . 4.1 1.8 4.1 . . . . . A . 19 GLY H . . A . 18 THR MG . . . 19 . HN . . . . . 18 . HG2* . . rr_1j5m 1
47 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 17 17 LYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 3 PRO HD3 . . A . 17 LYS HB3 . . . 3 . HD1 . . . . . 17 . HB1 . . rr_1j5m 1
48 1 OR . 1 1 21 21 LYS HA H . . . 1 1 21 21 LYS HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 21 LYS HG2 . . A . 21 LYS HA . . . 21 . HG* . . . . . 21 . HA . . rr_1j5m 1
48 2 OR . 1 1 21 21 LYS HA H . . . 1 1 21 21 LYS HG3 H . . . . . 3.6 1.8 3.6 . . . . . A . 21 LYS HG3 . . A . 21 LYS HA . . . 21 . HG* . . . . . 21 . HA . . rr_1j5m 1
49 1 . . 1 1 7 7 ASP H H . . . 1 1 7 7 ASP HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 7 ASP H . . A . 7 ASP HB2 . . . 7 . HN . . . . . 7 . HB2 . . rr_1j5m 1
50 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 4 CYS H . . A . 4 CYS HA . . . 4 . HN . . . . . 4 . HA . . rr_1j5m 1
51 1 . . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS HA . . A . 6 LYS HB2 . . . 6 . HA . . . . . 6 . HB2 . . rr_1j5m 1
52 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 11 11 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 11 CYS HB3 . . A . 11 CYS HA . . . 11 . HB1 . . . . . 11 . HA . . rr_1j5m 1
53 1 . . 1 1 18 18 THR HA H . . . 1 1 18 18 THR MG H . . . . . 4.1 1.8 4.1 . . . . . A . 18 THR HA . . A . 18 THR MG . . . 18 . HA . . . . . 18 . HG2* . . rr_1j5m 1
54 1 . . 1 1 28 28 ALA H H . . . 1 1 28 28 ALA HA H . . . . . 3.6 1.8 3.6 . . . . . A . 28 ALA H . . A . 28 ALA HA . . . 28 . HN . . . . . 28 . HA . . rr_1j5m 1
55 1 . . 1 1 5 5 CYS H H . . . 1 1 6 6 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS H . . A . 6 LYS H . . . 5 . HN . . . . . 6 . HN . . rr_1j5m 1
56 1 . . 1 1 7 7 ASP HB2 H . . . 1 1 7 7 ASP HA H . . . . . 3.6 1.8 3.6 . . . . . A . 7 ASP HB2 . . A . 7 ASP HA . . . 7 . HB2 . . . . . 7 . HA . . rr_1j5m 1
57 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ASP H H . . . . . 3.6 1.8 3.6 . . . . . A . 7 ASP H . . A . 6 LYS H . . . 7 . HN . . . . . 6 . HN . . rr_1j5m 1
58 1 . . 1 1 13 13 GLU H H . . . 1 1 12 12 ALA MB H . . . . . 4.1 1.8 4.1 . . . . . A . 13 GLU H . . A . 12 ALA MB . . . 13 . HN . . . . . 12 . HB* . . rr_1j5m 1
59 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 12 ALA H . . A . 11 CYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1j5m 1
60 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLY HA2 H . . . . . 3.6 1.8 3.6 . . . . . A . 15 GLY H . . A . 14 GLY HA2 . . . 15 . HN . . . . . 14 . HA2 . . rr_1j5m 1
61 1 . . 1 1 26 26 ARG H H . . . 1 1 26 26 ARG HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 26 ARG H . . A . 26 ARG HB2 . . . 26 . HN . . . . . 26 . HB2 . . rr_1j5m 1
62 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA HA H . . . . . 3.6 1.8 3.6 . . . . . A . 12 ALA H . . A . 12 ALA HA . . . 12 . HN . . . . . 12 . HA . . rr_1j5m 1
63 1 . . 1 1 26 26 ARG H H . . . 1 1 25 25 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 26 ARG H . . A . 25 CYS HB3 . . . 26 . HN . . . . . 25 . HB1 . . rr_1j5m 1
64 1 . . 1 1 26 26 ARG HG2 H . . . 1 1 25 25 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 26 ARG HG2 . . A . 25 CYS HB2 . . . 26 . HG2 . . . . . 25 . HB2 . . rr_1j5m 1
65 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS H . . A . 8 LYS HA . . . 8 . HN . . . . . 8 . HA . . rr_1j5m 1
66 1 . . 1 1 28 28 ALA H H . . . 1 1 27 27 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 28 ALA H . . A . 27 CYS H . . . 28 . HN . . . . . 27 . HN . . rr_1j5m 1
67 1 . . 1 1 13 13 GLU H H . . . 1 1 13 13 GLU HA H . . . . . 3.6 1.8 3.6 . . . . . A . 13 GLU H . . A . 13 GLU HA . . . 13 . HN . . . . . 13 . HA . . rr_1j5m 1
68 1 . . 1 1 12 12 ALA H H . . . 1 1 15 15 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 12 ALA H . . A . 15 GLY HA3 . . . 12 . HN . . . . . 15 . HA1 . . rr_1j5m 1
69 1 . . 1 1 24 24 SER HA H . . . 1 1 24 24 SER H H . . . . . 3.6 1.8 3.6 . . . . . A . 24 SER H . . A . 24 SER HA . . . 24 . HN . . . . . 24 . HA . . rr_1j5m 1
70 1 . . 1 1 23 23 THR H H . . . 1 1 24 24 SER H H . . . . . 3.6 1.8 3.6 . . . . . A . 24 SER H . . A . 23 THR H . . . 24 . HN . . . . . 23 . HN . . rr_1j5m 1
71 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 12 ALA H . . A . 11 CYS HB2 . . . 12 . HN . . . . . 11 . HB2 . . rr_1j5m 1
72 1 . . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS HB3 . . A . 8 LYS HA . . . 8 . HB1 . . . . . 8 . HA . . rr_1j5m 1
73 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_1j5m 1
74 1 . . 1 1 27 27 CYS HB2 H . . . 1 1 27 27 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 27 CYS H . . A . 27 CYS HB2 . . . 27 . HN . . . . . 27 . HB2 . . rr_1j5m 1
75 1 . . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 . HN . . . . . 6 . HB1 . . rr_1j5m 1
76 1 . . 1 1 15 15 GLY H H . . . 1 1 15 15 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 15 GLY H . . A . 15 GLY HA3 . . . 15 . HN . . . . . 15 . HA1 . . rr_1j5m 1
77 1 . . 1 1 18 18 THR H H . . . 1 1 17 17 LYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 18 THR H . . A . 17 LYS HB3 . . . 18 . HN . . . . . 17 . HB1 . . rr_1j5m 1
78 1 . . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HA . . . 6 . HN . . . . . 6 . HA . . rr_1j5m 1
79 1 OR . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS HB2 . . A . 5 CYS HA . . . 5 . HB* . . . . . 5 . HA . . rr_1j5m 1
79 2 OR . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS HB3 . . A . 5 CYS HA . . . 5 . HB* . . . . . 5 . HA . . rr_1j5m 1
80 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLY H H . . . . . 3.6 1.8 3.6 . . . . . A . 14 GLY H . . A . 15 GLY H . . . 14 . HN . . . . . 15 . HN . . rr_1j5m 1
81 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 20 CYS H . . A . 20 CYS HA . . . 20 . HN . . . . . 20 . HA . . rr_1j5m 1
82 1 . . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 21 LYS H . . A . 22 CYS H . . . 21 . HN . . . . . 22 . HN . . rr_1j5m 1
83 1 . . 1 1 23 23 THR HA H . . . 1 1 23 23 THR H H . . . . . 3.6 1.8 3.6 . . . . . A . 23 THR H . . A . 23 THR HA . . . 23 . HN . . . . . 23 . HA . . rr_1j5m 1
84 1 . . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HG3 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 GLU HG3 . . A . 10 GLU HA . . . 10 . HG1 . . . . . 10 . HA . . rr_1j5m 1
85 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 GLY H H . . . . . 3.6 1.8 3.6 . . . . . A . 20 CYS H . . A . 19 GLY H . . . 20 . HN . . . . . 19 . HN . . rr_1j5m 1
86 1 . . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS H . . A . 22 CYS HB3 . . . 22 . HN . . . . . 22 . HB1 . . rr_1j5m 1
87 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 11 CYS H . . A . 11 CYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1j5m 1
88 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 GLU H . . A . 10 GLU HG2 . . . 10 . HN . . . . . 10 . HG2 . . rr_1j5m 1
89 1 . . 1 1 24 24 SER H H . . . 1 1 24 24 SER HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 24 SER H . . A . 24 SER HB2 . . . 24 . HN . . . . . 24 . HB2 . . rr_1j5m 1
90 1 . . 1 1 23 23 THR MG H . . . 1 1 23 23 THR H H . . . . . 4.1 1.8 4.1 . . . . . A . 23 THR H . . A . 23 THR MG . . . 23 . HN . . . . . 23 . HG2* . . rr_1j5m 1
91 1 . . 1 1 5 5 CYS HA H . . . 1 1 6 6 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 5 CYS HA . . . 6 . HN . . . . . 5 . HA . . rr_1j5m 1
92 1 . . 1 1 24 24 SER H H . . . 1 1 25 25 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 24 SER H . . A . 25 CYS H . . . 24 . HN . . . . . 25 . HN . . rr_1j5m 1
93 1 . . 1 1 15 15 GLY H H . . . 1 1 16 16 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 16 CYS H . . A . 15 GLY H . . . 16 . HN . . . . . 15 . HN . . rr_1j5m 1
94 1 OR . 1 1 8 8 LYS HD2 H . . . 1 1 8 8 LYS HE2 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS HD2 . . A . 8 LYS HE2 . . . 8 . HD* . . . . . 8 . HE* . . rr_1j5m 1
94 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE2 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE2 . . . 8 . HD* . . . . . 8 . HE* . . rr_1j5m 1
94 3 OR . 1 1 8 8 LYS HE3 H . . . 1 1 8 8 LYS HD2 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS HD2 . . A . 8 LYS HE3 . . . 8 . HD* . . . . . 8 . HE* . . rr_1j5m 1
94 4 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE3 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE3 . . . 8 . HD* . . . . . 8 . HE* . . rr_1j5m 1
95 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA MB H . . . . . 4.1 1.8 4.1 . . . . . A . 12 ALA H . . A . 12 ALA MB . . . 12 . HN . . . . . 12 . HB* . . rr_1j5m 1
96 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 20 CYS H . . A . 20 CYS HB3 . . . 20 . HN . . . . . 20 . HB1 . . rr_1j5m 1
97 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . HB2 . . rr_1j5m 1
98 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . HB1 . . rr_1j5m 1
99 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 5 CYS H . . A . 4 CYS HA . . . 5 . HN . . . . . 4 . HA . . rr_1j5m 1
100 1 . . 1 1 28 28 ALA H H . . . 1 1 28 28 ALA MB H . . . . . 4.1 1.8 4.1 . . . . . A . 28 ALA H . . A . 28 ALA MB . . . 28 . HN . . . . . 28 . HB* . . rr_1j5m 1
101 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 . HN . . . . . 6 . HG* . . rr_1j5m 1
101 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 . HN . . . . . 6 . HG* . . rr_1j5m 1
102 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 16 16 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 16 CYS HB3 . . A . 16 CYS HA . . . 16 . HB1 . . . . . 16 . HA . . rr_1j5m 1
103 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG2 H . . . . . 4.3 1.8 4.3 . . . . . A . 21 LYS H . . A . 21 LYS HG2 . . . 21 . HN . . . . . 21 . HG* . . rr_1j5m 1
103 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG3 H . . . . . 4.3 1.8 4.3 . . . . . A . 21 LYS H . . A . 21 LYS HG3 . . . 21 . HN . . . . . 21 . HG* . . rr_1j5m 1
104 1 . . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HB2 H . . . . . 3.6 1.1 3.6 . . . . . A . 17 LYS H . . A . 17 LYS HB2 . . . 17 . HN . . . . . 17 . HB2 . . rr_1j5m 1
105 1 . . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 . HN . . . . . 6 . HB2 . . rr_1j5m 1
106 1 . . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA2 H . . . . . 3.6 1.8 3.6 . . . . . A . 19 GLY H . . A . 19 GLY HA2 . . . 19 . HN . . . . . 19 . HA2 . . rr_1j5m 1
107 1 . . 1 1 7 7 ASP H H . . . 1 1 8 8 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 8 LYS H . . A . 7 ASP H . . . 8 . HN . . . . . 7 . HN . . rr_1j5m 1
108 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 16 16 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 16 CYS H . . A . 16 CYS HB3 . . . 16 . HN . . . . . 16 . HB1 . . rr_1j5m 1
109 1 . . 1 1 17 17 LYS H H . . . 1 1 16 16 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 17 LYS H . . A . 16 CYS HB2 . . . 17 . HN . . . . . 16 . HB2 . . rr_1j5m 1
110 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLY HA3 H . . . . . 4.5 1.8 4.5 . . . . . A . 15 GLY H . . A . 14 GLY HA3 . . . 15 . HN . . . . . 14 . HA1 . . rr_1j5m 1
111 1 . . 1 1 24 24 SER HB3 H . . . 1 1 25 25 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 25 CYS H . . A . 24 SER HB3 . . . 25 . HN . . . . . 24 . HB1 . . rr_1j5m 1
112 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 24 24 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER H . . A . 22 CYS HB2 . . . 24 . HN . . . . . 22 . HB2 . . rr_1j5m 1
113 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 25 25 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 25 CYS H . . A . 25 CYS HB3 . . . 25 . HN . . . . . 25 . HB1 . . rr_1j5m 1
114 1 OR . 1 1 22 22 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 4.5 1.0 4.5 . . . . . A . 22 CYS H . . A . 5 CYS HB2 . . . 22 . HN . . . . . 5 . HB* . . rr_1j5m 1
114 2 OR . 1 1 22 22 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 4.5 1.0 4.5 . . . . . A . 22 CYS H . . A . 5 CYS HB3 . . . 22 . HN . . . . . 5 . HB* . . rr_1j5m 1
115 1 . . 1 1 10 10 GLU H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 10 GLU H . . A . 11 CYS HB2 . . . 10 . HN . . . . . 11 . HB2 . . rr_1j5m 1
116 1 . . 1 1 23 23 THR H H . . . 1 1 22 22 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 23 THR H . . A . 22 CYS HB3 . . . 23 . HN . . . . . 22 . HB1 . . rr_1j5m 1
117 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 21 21 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 22 CYS HB2 . . . 21 . HN . . . . . 22 . HB2 . . rr_1j5m 1
118 1 . . 1 1 20 20 CYS H H . . . 1 1 17 17 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 20 CYS H . . A . 17 LYS HB3 . . . 20 . HN . . . . . 17 . HB1 . . rr_1j5m 1
119 1 . . 1 1 22 22 CYS HB3 H . . . 1 1 24 24 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER H . . A . 22 CYS HB3 . . . 24 . HN . . . . . 22 . HB1 . . rr_1j5m 1
120 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 4 4 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_1j5m 1
121 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 23 23 THR H H . . . . . 4.5 1.8 4.5 . . . . . A . 23 THR H . . A . 22 CYS HB2 . . . 23 . HN . . . . . 22 . HB2 . . rr_1j5m 1
122 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 GLY HA3 H . . . . . 4.5 1.8 4.5 . . . . . A . 20 CYS H . . A . 19 GLY HA3 . . . 20 . HN . . . . . 19 . HA1 . . rr_1j5m 1
123 1 OR . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 4.5 1.0 4.5 . . . . . A . 5 CYS H . . A . 5 CYS HB2 . . . 5 . HN . . . . . 5 . HB* . . rr_1j5m 1
123 2 OR . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 4.5 1.0 4.5 . . . . . A . 5 CYS H . . A . 5 CYS HB3 . . . 5 . HN . . . . . 5 . HB* . . rr_1j5m 1
124 1 . . 1 1 18 18 THR H H . . . 1 1 18 18 THR MG H . . . . . 5.0 1.8 5.0 . . . . . A . 18 THR H . . A . 18 THR MG . . . 18 . HN . . . . . 18 . HG2* . . rr_1j5m 1
125 1 . . 1 1 21 21 LYS H H . . . 1 1 22 22 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 22 CYS HA . . . 21 . HN . . . . . 22 . HA . . rr_1j5m 1
126 1 . . 1 1 15 15 GLY HA2 H . . . 1 1 16 16 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 16 CYS H . . A . 15 GLY HA2 . . . 16 . HN . . . . . 15 . HA2 . . rr_1j5m 1
127 1 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 21 LYS HG2 . . . 22 . HN . . . . . 21 . HG* . . rr_1j5m 1
127 2 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 21 LYS HG3 . . . 22 . HN . . . . . 21 . HG* . . rr_1j5m 1
128 1 OR . 1 1 15 15 GLY H H . . . 1 1 13 13 GLU HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 15 GLY H . . A . 13 GLU HG2 . . . 15 . HN . . . . . 13 . HG* . . rr_1j5m 1
128 2 OR . 1 1 15 15 GLY H H . . . 1 1 13 13 GLU HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 15 GLY H . . A . 13 GLU HG3 . . . 15 . HN . . . . . 13 . HG* . . rr_1j5m 1
129 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 1.8 4.5 . . . . . A . 4 CYS H . . A . 3 PRO HD2 . . . 4 . HN . . . . . 3 . HD2 . . rr_1j5m 1
130 1 . . 1 1 5 5 CYS HA H . . . 1 1 8 8 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 5 CYS HA . . . 8 . HN . . . . . 5 . HA . . rr_1j5m 1
131 1 . . 1 1 17 17 LYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 17 LYS H . . A . 20 CYS HB3 . . . 17 . HN . . . . . 20 . HB1 . . rr_1j5m 1
132 1 . . 1 1 18 18 THR H H . . . 1 1 17 17 LYS HB2 H . . . . . 4.5 1.0 4.5 . . . . . A . 18 THR H . . A . 17 LYS HB2 . . . 18 . HN . . . . . 17 . HB2 . . rr_1j5m 1
133 1 . . 1 1 4 4 CYS HB2 H . . . 1 1 4 4 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_1j5m 1
134 1 . . 1 1 14 14 GLY H H . . . 1 1 13 13 GLU HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 GLY H . . A . 13 GLU HB2 . . . 14 . HN . . . . . 13 . HB2 . . rr_1j5m 1
135 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HE2 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS HG2 . . A . 8 LYS HE2 . . . 8 . HG2 . . . . . 8 . HE* . . rr_1j5m 1
135 2 OR . 1 1 8 8 LYS HE3 H . . . 1 1 8 8 LYS HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS HG2 . . A . 8 LYS HE3 . . . 8 . HG2 . . . . . 8 . HE* . . rr_1j5m 1
136 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 8 LYS HG2 . . . 8 . HN . . . . . 8 . HG2 . . rr_1j5m 1
137 1 . . 1 1 22 22 CYS HA H . . . 1 1 24 24 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER H . . A . 22 CYS HA . . . 24 . HN . . . . . 22 . HA . . rr_1j5m 1
138 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 21 21 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 22 CYS HB2 . . . 21 . HN . . . . . 22 . HB2 . . rr_1j5m 1
139 1 . . 1 1 7 7 ASP H H . . . 1 1 7 7 ASP HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 7 ASP H . . A . 7 ASP HB3 . . . 7 . HN . . . . . 7 . HB1 . . rr_1j5m 1
140 1 . . 1 1 24 24 SER HB2 H . . . 1 1 25 25 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 25 CYS H . . A . 24 SER HB2 . . . 25 . HN . . . . . 24 . HB2 . . rr_1j5m 1
141 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 8 LYS HB3 . . . 8 . HN . . . . . 8 . HB1 . . rr_1j5m 1
142 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 12 12 ALA H H . . . . . 4.5 1.8 4.5 . . . . . A . 12 ALA H . . A . 11 CYS HB3 . . . 12 . HN . . . . . 11 . HB1 . . rr_1j5m 1
143 1 . . 1 1 6 6 LYS H H . . . 1 1 8 8 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 6 LYS H . . . 8 . HN . . . . . 6 . HN . . rr_1j5m 1
144 1 . . 1 1 13 13 GLU H H . . . 1 1 10 10 GLU HA H . . . . . 4.5 1.8 4.5 . . . . . A . 13 GLU H . . A . 10 GLU HA . . . 13 . HN . . . . . 10 . HA . . rr_1j5m 1
145 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 22 22 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS HB2 . . A . 22 CYS HA . . . 22 . HB2 . . . . . 22 . HA . . rr_1j5m 1
146 1 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HD2 H . . . . . 4.5 1.8 4.5 . . . . . A . 17 LYS H . . A . 17 LYS HD2 . . . 17 . HN . . . . . 17 . HD* . . rr_1j5m 1
146 2 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HD3 H . . . . . 4.5 1.8 4.5 . . . . . A . 17 LYS H . . A . 17 LYS HD3 . . . 17 . HN . . . . . 17 . HD* . . rr_1j5m 1
147 1 . . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 21 LYS HB3 . . . 21 . HN . . . . . 21 . HB1 . . rr_1j5m 1
148 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ASP HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 7 ASP HB3 . . . 8 . HN . . . . . 7 . HB1 . . rr_1j5m 1
149 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ASP HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 7 ASP HB2 . . . 8 . HN . . . . . 7 . HB2 . . rr_1j5m 1
150 1 . . 1 1 15 15 GLY H H . . . 1 1 11 11 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 15 GLY H . . A . 11 CYS HA . . . 15 . HN . . . . . 11 . HA . . rr_1j5m 1
151 1 . . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 17 LYS H . . A . 17 LYS HB3 . . . 17 . HN . . . . . 17 . HB1 . . rr_1j5m 1
152 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 GLY HA2 H . . . . . 4.5 1.8 4.5 . . . . . A . 20 CYS H . . A . 19 GLY HA2 . . . 20 . HN . . . . . 19 . HA2 . . rr_1j5m 1
153 1 . . 1 1 25 25 CYS HB2 H . . . 1 1 25 25 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 25 CYS H . . A . 25 CYS HB2 . . . 25 . HN . . . . . 25 . HB2 . . rr_1j5m 1
154 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ASP HA H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 7 ASP HA . . . 8 . HN . . . . . 7 . HA . . rr_1j5m 1
155 1 . . 1 1 5 5 CYS H H . . . 1 1 10 10 GLU HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS H . . A . 10 GLU HG3 . . . 5 . HN . . . . . 10 . HG1 . . rr_1j5m 1
156 1 . . 1 1 26 26 ARG H H . . . 1 1 25 25 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 26 ARG H . . A . 25 CYS HB2 . . . 26 . HN . . . . . 25 . HB2 . . rr_1j5m 1
157 1 . . 1 1 14 14 GLY HA2 H . . . 1 1 16 16 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 16 CYS H . . A . 14 GLY HA2 . . . 16 . HN . . . . . 14 . HA2 . . rr_1j5m 1
158 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 9 CYS H . . A . 8 LYS HB3 . . . 9 . HN . . . . . 8 . HB1 . . rr_1j5m 1
159 1 . . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 21 LYS HA . . . 22 . HN . . . . . 21 . HA . . rr_1j5m 1
160 1 . . 1 1 23 23 THR H H . . . 1 1 22 22 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS HA . . A . 23 THR H . . . 22 . HA . . . . . 23 . HN . . rr_1j5m 1
161 1 . . 1 1 12 12 ALA MB H . . . 1 1 12 12 ALA HA H . . . . . 5.0 2.3 5.0 . . . . . A . 12 ALA MB . . A . 12 ALA HA . . . 12 . HB* . . . . . 12 . HA . . rr_1j5m 1
162 1 . . 1 1 24 24 SER HA H . . . 1 1 24 24 SER HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER HB2 . . A . 24 SER HA . . . 24 . HB2 . . . . . 24 . HA . . rr_1j5m 1
163 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 10 GLU H . . A . 10 GLU HG3 . . . 10 . HN . . . . . 10 . HG1 . . rr_1j5m 1
164 1 . . 1 1 8 8 LYS HB2 H . . . 1 1 8 8 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 8 LYS H . . A . 8 LYS HB2 . . . 8 . HN . . . . . 8 . HB2 . . rr_1j5m 1
165 1 . . 1 1 22 22 CYS HA H . . . 1 1 22 22 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS HA . . A . 22 CYS HB3 . . . 22 . HA . . . . . 22 . HB1 . . rr_1j5m 1
166 1 . . 1 1 7 7 ASP HB2 H . . . 1 1 7 7 ASP HA H . . . . . 4.5 1.8 4.5 . . . . . A . 7 ASP HA . . A . 7 ASP HB2 . . . 7 . HA . . . . . 7 . HB2 . . rr_1j5m 1
167 1 . . 1 1 14 14 GLY H H . . . 1 1 16 16 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 14 GLY H . . A . 16 CYS H . . . 14 . HN . . . . . 16 . HN . . rr_1j5m 1
168 1 . . 1 1 24 24 SER HB3 H . . . 1 1 24 24 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER H . . A . 24 SER HB3 . . . 24 . HN . . . . . 24 . HB1 . . rr_1j5m 1
169 1 . . 1 1 15 15 GLY H H . . . 1 1 13 13 GLU HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 15 GLY H . . A . 13 GLU HB2 . . . 15 . HN . . . . . 13 . HB2 . . rr_1j5m 1
170 1 . . 1 1 24 24 SER HA H . . . 1 1 24 24 SER HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 24 SER HB3 . . A . 24 SER HA . . . 24 . HB1 . . . . . 24 . HA . . rr_1j5m 1
171 1 . . 1 1 13 13 GLU H H . . . 1 1 12 12 ALA HA H . . . . . 4.5 1.8 4.5 . . . . . A . 13 GLU H . . A . 12 ALA HA . . . 13 . HN . . . . . 12 . HA . . rr_1j5m 1
172 1 . . 1 1 22 22 CYS H H . . . 1 1 20 20 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 20 CYS HA . . . 22 . HN . . . . . 20 . HA . . rr_1j5m 1
173 1 . . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 6 LYS HB3 . . A . 6 LYS HA . . . 6 . HB1 . . . . . 6 . HA . . rr_1j5m 1
174 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 PRO HA H . . . . . 4.5 1.8 4.5 . . . . . A . 4 CYS H . . A . 3 PRO HA . . . 4 . HN . . . . . 3 . HA . . rr_1j5m 1
175 1 . . 1 1 25 25 CYS HB2 H . . . 1 1 26 26 ARG HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 26 ARG HG3 . . A . 25 CYS HB2 . . . 26 . HG1 . . . . . 25 . HB2 . . rr_1j5m 1
176 1 . . 1 1 24 24 SER HA H . . . 1 1 25 25 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 25 CYS H . . A . 24 SER HA . . . 25 . HN . . . . . 24 . HA . . rr_1j5m 1
177 1 . . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 6 LYS HA . . A . 6 LYS HB3 . . . 6 . HA . . . . . 6 . HB1 . . rr_1j5m 1
178 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HD2 H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 21 LYS HD2 . . . 21 . HN . . . . . 21 . HD* . . rr_1j5m 1
178 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HD3 H . . . . . 4.5 1.8 4.5 . . . . . A . 21 LYS H . . A . 21 LYS HD3 . . . 21 . HN . . . . . 21 . HD* . . rr_1j5m 1
179 1 OR . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS HA . . A . 5 CYS HB2 . . . 5 . HA . . . . . 5 . HB* . . rr_1j5m 1
179 2 OR . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS HA . . A . 5 CYS HB3 . . . 5 . HA . . . . . 5 . HB* . . rr_1j5m 1
180 1 . . 1 1 5 5 CYS H H . . . 1 1 10 10 GLU HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS H . . A . 10 GLU HG2 . . . 5 . HN . . . . . 10 . HG2 . . rr_1j5m 1
181 1 . . 1 1 26 26 ARG H H . . . 1 1 26 26 ARG HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 26 ARG H . . A . 26 ARG HB3 . . . 26 . HN . . . . . 26 . HB1 . . rr_1j5m 1
182 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 18 18 THR H H . . . . . 4.5 1.8 4.5 . . . . . A . 18 THR H . . A . 16 CYS HB3 . . . 18 . HN . . . . . 16 . HB1 . . rr_1j5m 1
183 1 OR . 1 1 22 22 CYS HA H . . . 1 1 5 5 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS HB2 . . A . 22 CYS HA . . . 5 . HB* . . . . . 22 . HA . . rr_1j5m 1
183 2 OR . 1 1 22 22 CYS HA H . . . 1 1 5 5 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 CYS HB3 . . A . 22 CYS HA . . . 5 . HB* . . . . . 22 . HA . . rr_1j5m 1
184 1 . . 1 1 26 26 ARG HB3 H . . . 1 1 25 25 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 26 ARG HB3 . . A . 25 CYS HA . . . 26 . HB1 . . . . . 25 . HA . . rr_1j5m 1
185 1 . . 1 1 27 27 CYS HA H . . . 1 1 27 27 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 27 CYS HB3 . . A . 27 CYS HA . . . 27 . HB1 . . . . . 27 . HA . . rr_1j5m 1
186 1 . . 1 1 20 20 CYS H H . . . 1 1 18 18 THR MG H . . . . . 6.3 1.8 6.3 . . . . . A . 20 CYS H . . A . 18 THR MG . . . 20 . HN . . . . . 18 . HG2* . . rr_1j5m 1
187 1 . . 1 1 23 23 THR MG H . . . 1 1 24 24 SER H H . . . . . 6.3 1.8 6.3 . . . . . A . 24 SER H . . A . 23 THR MG . . . 24 . HN . . . . . 23 . HG2* . . rr_1j5m 1
188 1 OR . 1 1 5 5 CYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 5 CYS H . . A . 6 LYS HG2 . . . 5 . HN . . . . . 6 . HG* . . rr_1j5m 1
188 2 OR . 1 1 5 5 CYS H H . . . 1 1 6 6 LYS HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 5 CYS H . . A . 6 LYS HG3 . . . 5 . HN . . . . . 6 . HG* . . rr_1j5m 1
189 1 . . 1 1 5 5 CYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 5 CYS H . . A . 6 LYS HB2 . . . 5 . HN . . . . . 6 . HB2 . . rr_1j5m 1
190 1 . . 1 1 5 5 CYS H H . . . 1 1 6 6 LYS HA H . . . . . 5.8 1.8 5.8 . . . . . A . 5 CYS H . . A . 6 LYS HA . . . 5 . HN . . . . . 6 . HA . . rr_1j5m 1
191 1 . . 1 1 5 5 CYS H H . . . 1 1 16 16 CYS HA H . . . . . 5.8 1.8 5.8 . . . . . A . 5 CYS H . . A . 16 CYS HA . . . 5 . HN . . . . . 16 . HA . . rr_1j5m 1
192 1 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HD2 H . . . . . 5.8 1.8 5.8 . . . . . A . 22 CYS H . . A . 21 LYS HD2 . . . 22 . HN . . . . . 21 . HD* . . rr_1j5m 1
192 2 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HD3 H . . . . . 5.8 1.8 5.8 . . . . . A . 22 CYS H . . A . 21 LYS HD3 . . . 22 . HN . . . . . 21 . HD* . . rr_1j5m 1
193 1 . . 1 1 22 22 CYS H H . . . 1 1 21 21 LYS HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 22 CYS H . . A . 21 LYS HB3 . . . 22 . HN . . . . . 21 . HB1 . . rr_1j5m 1
194 1 . . 1 1 22 22 CYS H H . . . 1 1 3 3 PRO HD3 H . . . . . 5.8 1.8 5.8 . . . . . A . 22 CYS H . . A . 3 PRO HD3 . . . 22 . HN . . . . . 3 . HD1 . . rr_1j5m 1
195 1 . . 1 1 23 23 THR H H . . . 1 1 24 24 SER HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 23 THR H . . A . 24 SER HB2 . . . 23 . HN . . . . . 24 . HB2 . . rr_1j5m 1
196 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 GLU HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 12 ALA H . . A . 13 GLU HB3 . . . 12 . HN . . . . . 13 . HB1 . . rr_1j5m 1
197 1 . . 1 1 12 12 ALA H H . . . 1 1 10 10 GLU HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 12 ALA H . . A . 10 GLU HG3 . . . 12 . HN . . . . . 10 . HG1 . . rr_1j5m 1
198 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 LYS HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 9 CYS H . . A . 8 LYS HG2 . . . 9 . HN . . . . . 8 . HG2 . . rr_1j5m 1
199 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 LYS HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 9 CYS H . . A . 8 LYS HG3 . . . 9 . HN . . . . . 8 . HG1 . . rr_1j5m 1
200 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 10 10 GLU H H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU H . . A . 11 CYS HB3 . . . 10 . HN . . . . . 11 . HB1 . . rr_1j5m 1
201 1 OR . 1 1 10 10 GLU H H . . . 1 1 5 5 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU H . . A . 5 CYS HB2 . . . 10 . HN . . . . . 5 . HB* . . rr_1j5m 1
201 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 10 10 GLU H H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU H . . A . 5 CYS HB3 . . . 10 . HN . . . . . 5 . HB* . . rr_1j5m 1
202 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ASP HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 6 LYS H . . A . 7 ASP HB2 . . . 6 . HN . . . . . 7 . HB2 . . rr_1j5m 1
203 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 6 6 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 6 LYS H . . A . 4 CYS HB3 . . . 6 . HN . . . . . 4 . HB1 . . rr_1j5m 1
204 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 6 LYS H . . A . 5 CYS HB2 . . . 6 . HN . . . . . 5 . HB* . . rr_1j5m 1
204 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 6 6 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 6 LYS H . . A . 5 CYS HB3 . . . 6 . HN . . . . . 5 . HB* . . rr_1j5m 1
205 1 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 ARG HD2 H . . . . . 5.8 1.8 5.8 . . . . . A . 27 CYS H . . A . 26 ARG HD2 . . . 27 . HN . . . . . 26 . HD* . . rr_1j5m 1
205 2 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 ARG HD3 H . . . . . 5.8 1.8 5.8 . . . . . A . 27 CYS H . . A . 26 ARG HD3 . . . 27 . HN . . . . . 26 . HD* . . rr_1j5m 1
206 1 . . 1 1 27 27 CYS H H . . . 1 1 26 26 ARG HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 27 CYS H . . A . 26 ARG HB3 . . . 27 . HN . . . . . 26 . HB1 . . rr_1j5m 1
207 1 . . 1 1 27 27 CYS H H . . . 1 1 26 26 ARG HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 27 CYS H . . A . 26 ARG HG2 . . . 27 . HN . . . . . 26 . HG2 . . rr_1j5m 1
208 1 . . 1 1 11 11 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 11 CYS H . . A . 25 CYS HB2 . . . 11 . HN . . . . . 25 . HB2 . . rr_1j5m 1
209 1 . . 1 1 11 11 CYS H H . . . 1 1 25 25 CYS HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 11 CYS H . . A . 25 CYS HB3 . . . 11 . HN . . . . . 25 . HB1 . . rr_1j5m 1
210 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ALA MB H . . . . . 6.3 1.8 6.3 . . . . . A . 11 CYS H . . A . 12 ALA MB . . . 11 . HN . . . . . 12 . HB* . . rr_1j5m 1
211 1 . . 1 1 14 14 GLY H H . . . 1 1 12 12 ALA MB H . . . . . 6.3 1.8 6.3 . . . . . A . 14 GLY H . . A . 12 ALA MB . . . 14 . HN . . . . . 12 . HB* . . rr_1j5m 1
212 1 . . 1 1 14 14 GLY H H . . . 1 1 13 13 GLU HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 13 GLU HB3 . . . 14 . HN . . . . . 13 . HB1 . . rr_1j5m 1
213 1 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 GLU HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 13 GLU HG2 . . . 14 . HN . . . . . 13 . HG* . . rr_1j5m 1
213 2 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 GLU HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 13 GLU HG3 . . . 14 . HN . . . . . 13 . HG* . . rr_1j5m 1
214 1 . . 1 1 15 15 GLY HA2 H . . . 1 1 14 14 GLY H H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 15 GLY HA2 . . . 14 . HN . . . . . 15 . HA2 . . rr_1j5m 1
215 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HD2 H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 8 LYS HD2 . . . 8 . HN . . . . . 8 . HD* . . rr_1j5m 1
215 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 8 LYS HD3 . . . 8 . HN . . . . . 8 . HD* . . rr_1j5m 1
216 1 . . 1 1 8 8 LYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 9 CYS HB2 . . . 8 . HN . . . . . 9 . HB2 . . rr_1j5m 1
217 1 OR . 1 1 8 8 LYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 5 CYS HB2 . . . 8 . HN . . . . . 5 . HB* . . rr_1j5m 1
217 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 8 8 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 5 CYS HB3 . . . 8 . HN . . . . . 5 . HB* . . rr_1j5m 1
218 1 . . 1 1 13 13 GLU H H . . . 1 1 11 11 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 13 GLU H . . A . 11 CYS HB2 . . . 13 . HN . . . . . 11 . HB2 . . rr_1j5m 1
219 1 . . 1 1 8 8 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 6 LYS HA . . . 8 . HN . . . . . 6 . HA . . rr_1j5m 1
220 1 OR . 1 1 4 4 CYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 6 LYS HG2 . . . 4 . HN . . . . . 6 . HG* . . rr_1j5m 1
220 2 OR . 1 1 4 4 CYS H H . . . 1 1 6 6 LYS HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 6 LYS HG3 . . . 4 . HN . . . . . 6 . HG* . . rr_1j5m 1
221 1 . . 1 1 4 4 CYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 6 LYS HB2 . . . 4 . HN . . . . . 6 . HB2 . . rr_1j5m 1
222 1 . . 1 1 20 20 CYS HA H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 20 CYS HA . . . 4 . HN . . . . . 20 . HA . . rr_1j5m 1
223 1 . . 1 1 23 23 THR MG H . . . 1 1 25 25 CYS H H . . . . . 6.3 1.8 6.3 . . . . . A . 25 CYS H . . A . 23 THR MG . . . 25 . HN . . . . . 23 . HG2* . . rr_1j5m 1
224 1 . . 1 1 22 22 CYS HB3 H . . . 1 1 25 25 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 25 CYS H . . A . 22 CYS HB3 . . . 25 . HN . . . . . 22 . HB1 . . rr_1j5m 1
225 1 . . 1 1 22 22 CYS HA H . . . 1 1 25 25 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 25 CYS H . . A . 22 CYS HA . . . 25 . HN . . . . . 22 . HA . . rr_1j5m 1
226 1 . . 1 1 20 20 CYS H H . . . 1 1 17 17 LYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 20 CYS H . . A . 17 LYS HB2 . . . 20 . HN . . . . . 17 . HB2 . . rr_1j5m 1
227 1 . . 1 1 20 20 CYS H H . . . 1 1 3 3 PRO HD3 H . . . . . 5.8 1.8 5.8 . . . . . A . 20 CYS H . . A . 3 PRO HD3 . . . 20 . HN . . . . . 3 . HD1 . . rr_1j5m 1
228 1 . . 1 1 20 20 CYS H H . . . 1 1 21 21 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 20 CYS H . . A . 21 LYS H . . . 20 . HN . . . . . 21 . HN . . rr_1j5m 1
229 1 . . 1 1 23 23 THR H H . . . 1 1 25 25 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 25 CYS H . . A . 23 THR H . . . 25 . HN . . . . . 23 . HN . . rr_1j5m 1
230 1 . . 1 1 26 26 ARG H H . . . 1 1 25 25 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 25 CYS H . . A . 26 ARG H . . . 25 . HN . . . . . 26 . HN . . rr_1j5m 1
231 1 . . 1 1 6 6 LYS H H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 6 LYS H . . . 4 . HN . . . . . 6 . HN . . rr_1j5m 1
232 1 . . 1 1 17 17 LYS H H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 17 LYS H . . . 4 . HN . . . . . 17 . HN . . rr_1j5m 1
233 1 . . 1 1 21 21 LYS H H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 21 LYS H . . . 4 . HN . . . . . 21 . HN . . rr_1j5m 1
234 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 5 CYS H . . . 4 . HN . . . . . 5 . HN . . rr_1j5m 1
235 1 . . 1 1 5 5 CYS H H . . . 1 1 8 8 LYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 8 LYS H . . A . 5 CYS H . . . 8 . HN . . . . . 5 . HN . . rr_1j5m 1
236 1 . . 1 1 15 15 GLY H H . . . 1 1 13 13 GLU H H . . . . . 5.8 1.8 5.8 . . . . . A . 13 GLU H . . A . 15 GLY H . . . 13 . HN . . . . . 15 . HN . . rr_1j5m 1
237 1 . . 1 1 14 14 GLY H H . . . 1 1 12 12 ALA H H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 12 ALA H . . . 14 . HN . . . . . 12 . HN . . rr_1j5m 1
238 1 . . 1 1 14 14 GLY H H . . . 1 1 16 16 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 16 CYS H . . A . 14 GLY H . . . 16 . HN . . . . . 14 . HN . . rr_1j5m 1
239 1 . . 1 1 18 18 THR H H . . . 1 1 19 19 GLY H H . . . . . 5.8 1.8 5.8 . . . . . A . 18 THR H . . A . 19 GLY H . . . 18 . HN . . . . . 19 . HN . . rr_1j5m 1
240 1 . . 1 1 17 17 LYS H H . . . 1 1 16 16 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 16 CYS H . . A . 17 LYS H . . . 16 . HN . . . . . 17 . HN . . rr_1j5m 1
241 1 . . 1 1 5 5 CYS H H . . . 1 1 10 10 GLU H H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU H . . A . 5 CYS H . . . 10 . HN . . . . . 5 . HN . . rr_1j5m 1
242 1 . . 1 1 22 22 CYS H H . . . 1 1 23 23 THR H H . . . . . 5.8 1.8 5.8 . . . . . A . 23 THR H . . A . 22 CYS H . . . 23 . HN . . . . . 22 . HN . . rr_1j5m 1
243 1 OR . 1 1 21 21 LYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 5.8 1.8 5.8 . . . . . A . 21 LYS H . . A . 5 CYS HB2 . . . 21 . HN . . . . . 5 . HB* . . rr_1j5m 1
243 2 OR . 1 1 21 21 LYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 21 LYS H . . A . 5 CYS HB3 . . . 21 . HN . . . . . 5 . HB* . . rr_1j5m 1
244 1 . . 1 1 14 14 GLY H H . . . 1 1 11 11 CYS HA H . . . . . 5.8 1.8 5.8 . . . . . A . 14 GLY H . . A . 11 CYS HA . . . 14 . HN . . . . . 11 . HA . . rr_1j5m 1
245 1 . . 1 1 22 22 CYS HB2 H . . . 1 1 25 25 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 25 CYS H . . A . 22 CYS HB2 . . . 25 . HN . . . . . 22 . HB2 . . rr_1j5m 1
246 1 . . 1 1 20 20 CYS H H . . . 1 1 17 17 LYS HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 20 CYS H . . A . 17 LYS HB3 . . . 20 . HN . . . . . 17 . HB1 . . rr_1j5m 1
247 1 . . 1 1 10 10 GLU HG3 H . . . 1 1 8 8 LYS HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU HG3 . . A . 8 LYS HG2 . . . 10 . HG1 . . . . . 8 . HG2 . . rr_1j5m 1
248 1 . . 1 1 15 15 GLY HA2 H . . . 1 1 10 10 GLU HG3 H . . . . . 5.8 1.8 5.8 . . . . . A . 10 GLU HG3 . . A . 15 GLY HA2 . . . 10 . HG1 . . . . . 15 . HA2 . . rr_1j5m 1
249 1 . . 1 1 18 18 THR MG H . . . 1 1 19 19 GLY HA2 H . . . . . 6.3 1.8 6.3 . . . . . A . 18 THR MG . . A . 19 GLY HA2 . . . 18 . HG2* . . . . . 19 . HA2 . . rr_1j5m 1
250 1 . . 1 1 20 20 CYS H H . . . 1 1 22 22 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 20 CYS H . . A . 22 CYS H . . . 20 . HN . . . . . 22 . HN . . rr_1j5m 1
251 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 ASP HB3 H . . . . . 5.8 1.8 5.8 . . . . . A . 6 LYS HA . . A . 7 ASP HB3 . . . 6 . HA . . . . . 7 . HB1 . . rr_1j5m 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 "strong NOE's <=2.7A int > 5200000" 1 1 1 37 rr_1j5m 1
2 "changed from medium to strong" 23 73 23 104 rr_1j5m 1
3 "changed from medium to strong" 24 73 24 104 rr_1j5m 1
4 "changed back to strong" 25 73 25 96 rr_1j5m 1
5 "medium NOE's ,<3.5A Int >1,000,000 <5,200,000" 31 1 31 49 rr_1j5m 1
6 "added 05/22/2000" 34 75 34 93 rr_1j5m 1
7 "changed from strong to medium" 35 75 35 106 rr_1j5m 1
8 "weak NOE's <=4.5A Int < 1000000" 117 1 117 36 rr_1j5m 1
9 "added May 23 2000" 118 75 118 94 rr_1j5m 1
10 "retintroduced 5/23 2000" 165 75 165 100 rr_1j5m 1
11 "removed NOE's to 3 HG* due to ambiguity" 195 1 195 42 rr_1j5m 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_1j5m
_Gen_dist_constraint_list.ID 2
_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 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_1j5m 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 10 10 GLU H H . . . 1 1 5 5 CYS SG S . . . . . 2.7 0.0 3.0 . . . . . A . 10 GLU H . . A . 5 CYS SG . . . 10 . HN . . . . . 5 . SG . . rr_1j5m 2
2 1 . . 1 1 5 5 CYS SG S . . . 1 1 10 10 GLU N N . . . . . 3.6 0.0 3.9 . . . . . A . 10 GLU N . . A . 5 CYS SG . . . 10 . N . . . . . 5 . SG . . rr_1j5m 2
3 1 . . 1 1 24 24 SER H H . . . 1 1 22 22 CYS SG S . . . . . 2.7 0.0 3.0 . . . . . A . 24 SER H . . A . 22 CYS SG . . . 24 . HN . . . . . 22 . SG . . rr_1j5m 2
4 1 . . 1 1 22 22 CYS SG S . . . 1 1 24 24 SER N N . . . . . 3.6 0.0 3.9 . . . . . A . 24 SER N . . A . 22 CYS SG . . . 24 . N . . . . . 22 . SG . . rr_1j5m 2
5 1 . . 1 1 22 22 CYS H H . . . 1 1 20 20 CYS SG S . . . . . 2.7 0.0 3.0 . . . . . A . 22 CYS H . . A . 20 CYS SG . . . 22 . HN . . . . . 20 . SG . . rr_1j5m 2
6 1 . . 1 1 20 20 CYS SG S . . . 1 1 22 22 CYS N N . . . . . 3.6 0.0 3.9 . . . . . A . 22 CYS N . . A . 20 CYS SG . . . 22 . N . . . . . 20 . SG . . rr_1j5m 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 START_OF_Hydrogen_bond__DATA 1 1 1 30 rr_1j5m 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1j5m
_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_1j5m 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_1j5m 1
2 1 . . . rr_1j5m 1
3 1 . . . rr_1j5m 1
4 1 . . . rr_1j5m 1
5 1 . . . rr_1j5m 1
6 1 . . . rr_1j5m 1
7 1 . . . rr_1j5m 1
8 1 . . . rr_1j5m 1
9 1 . . . rr_1j5m 1
10 1 . . . rr_1j5m 1
11 1 . . . rr_1j5m 1
12 1 . . . rr_1j5m 1
13 1 . . . rr_1j5m 1
14 1 . . . rr_1j5m 1
15 1 2 . OR rr_1j5m 1
15 2 . 3 . rr_1j5m 1
15 3 . . . rr_1j5m 1
16 1 . . . rr_1j5m 1
17 1 . . . rr_1j5m 1
18 1 . . . rr_1j5m 1
19 1 . . . rr_1j5m 1
20 1 . . . rr_1j5m 1
21 1 2 . OR rr_1j5m 1
21 2 . 3 . rr_1j5m 1
21 3 . . . rr_1j5m 1
22 1 . . . rr_1j5m 1
23 1 . . . rr_1j5m 1
24 1 2 . OR rr_1j5m 1
24 2 . 3 . rr_1j5m 1
24 3 . . . rr_1j5m 1
25 1 . . . rr_1j5m 1
26 1 . . . rr_1j5m 1
27 1 . . . rr_1j5m 1
28 1 . . . rr_1j5m 1
29 1 . . . rr_1j5m 1
30 1 . . . rr_1j5m 1
31 1 . . . rr_1j5m 1
32 1 . . . rr_1j5m 1
33 1 2 . OR rr_1j5m 1
33 2 . 3 . rr_1j5m 1
33 3 . . . rr_1j5m 1
34 1 . . . rr_1j5m 1
35 1 . . . rr_1j5m 1
36 1 . . . rr_1j5m 1
37 1 . . . rr_1j5m 1
38 1 . . . rr_1j5m 1
39 1 . . . rr_1j5m 1
40 1 . . . rr_1j5m 1
41 1 . . . rr_1j5m 1
42 1 . . . rr_1j5m 1
43 1 . . . rr_1j5m 1
44 1 . . . rr_1j5m 1
45 1 . . . rr_1j5m 1
46 1 . . . rr_1j5m 1
47 1 . . . rr_1j5m 1
48 1 2 . OR rr_1j5m 1
48 2 . 3 . rr_1j5m 1
48 3 . . . rr_1j5m 1
49 1 . . . rr_1j5m 1
50 1 . . . rr_1j5m 1
51 1 . . . rr_1j5m 1
52 1 . . . rr_1j5m 1
53 1 . . . rr_1j5m 1
54 1 . . . rr_1j5m 1
55 1 . . . rr_1j5m 1
56 1 . . . rr_1j5m 1
57 1 . . . rr_1j5m 1
58 1 . . . rr_1j5m 1
59 1 . . . rr_1j5m 1
60 1 . . . rr_1j5m 1
61 1 . . . rr_1j5m 1
62 1 . . . rr_1j5m 1
63 1 . . . rr_1j5m 1
64 1 . . . rr_1j5m 1
65 1 . . . rr_1j5m 1
66 1 . . . rr_1j5m 1
67 1 . . . rr_1j5m 1
68 1 . . . rr_1j5m 1
69 1 . . . rr_1j5m 1
70 1 . . . rr_1j5m 1
71 1 . . . rr_1j5m 1
72 1 . . . rr_1j5m 1
73 1 . . . rr_1j5m 1
74 1 . . . rr_1j5m 1
75 1 . . . rr_1j5m 1
76 1 . . . rr_1j5m 1
77 1 . . . rr_1j5m 1
78 1 . . . rr_1j5m 1
79 1 2 . OR rr_1j5m 1
79 2 . 3 . rr_1j5m 1
79 3 . . . rr_1j5m 1
80 1 . . . rr_1j5m 1
81 1 . . . rr_1j5m 1
82 1 . . . rr_1j5m 1
83 1 . . . rr_1j5m 1
84 1 . . . rr_1j5m 1
85 1 . . . rr_1j5m 1
86 1 . . . rr_1j5m 1
87 1 . . . rr_1j5m 1
88 1 . . . rr_1j5m 1
89 1 . . . rr_1j5m 1
90 1 . . . rr_1j5m 1
91 1 . . . rr_1j5m 1
92 1 . . . rr_1j5m 1
93 1 . . . rr_1j5m 1
94 1 2 . OR rr_1j5m 1
94 2 . 3 . rr_1j5m 1
94 3 . 4 . rr_1j5m 1
94 4 . 5 . rr_1j5m 1
94 5 . . . rr_1j5m 1
95 1 . . . rr_1j5m 1
96 1 . . . rr_1j5m 1
97 1 . . . rr_1j5m 1
98 1 . . . rr_1j5m 1
99 1 . . . rr_1j5m 1
100 1 . . . rr_1j5m 1
101 1 2 . OR rr_1j5m 1
101 2 . 3 . rr_1j5m 1
101 3 . . . rr_1j5m 1
102 1 . . . rr_1j5m 1
103 1 2 . OR rr_1j5m 1
103 2 . 3 . rr_1j5m 1
103 3 . . . rr_1j5m 1
104 1 . . . rr_1j5m 1
105 1 . . . rr_1j5m 1
106 1 . . . rr_1j5m 1
107 1 . . . rr_1j5m 1
108 1 . . . rr_1j5m 1
109 1 . . . rr_1j5m 1
110 1 . . . rr_1j5m 1
111 1 . . . rr_1j5m 1
112 1 . . . rr_1j5m 1
113 1 . . . rr_1j5m 1
114 1 2 . OR rr_1j5m 1
114 2 . 3 . rr_1j5m 1
114 3 . . . rr_1j5m 1
115 1 . . . rr_1j5m 1
116 1 . . . rr_1j5m 1
117 1 . . . rr_1j5m 1
118 1 . . . rr_1j5m 1
119 1 . . . rr_1j5m 1
120 1 . . . rr_1j5m 1
121 1 . . . rr_1j5m 1
122 1 . . . rr_1j5m 1
123 1 2 . OR rr_1j5m 1
123 2 . 3 . rr_1j5m 1
123 3 . . . rr_1j5m 1
124 1 . . . rr_1j5m 1
125 1 . . . rr_1j5m 1
126 1 . . . rr_1j5m 1
127 1 2 . OR rr_1j5m 1
127 2 . 3 . rr_1j5m 1
127 3 . . . rr_1j5m 1
128 1 2 . OR rr_1j5m 1
128 2 . 3 . rr_1j5m 1
128 3 . . . rr_1j5m 1
129 1 . . . rr_1j5m 1
130 1 . . . rr_1j5m 1
131 1 . . . rr_1j5m 1
132 1 . . . rr_1j5m 1
133 1 . . . rr_1j5m 1
134 1 . . . rr_1j5m 1
135 1 2 . OR rr_1j5m 1
135 2 . 3 . rr_1j5m 1
135 3 . . . rr_1j5m 1
136 1 . . . rr_1j5m 1
137 1 . . . rr_1j5m 1
138 1 . . . rr_1j5m 1
139 1 . . . rr_1j5m 1
140 1 . . . rr_1j5m 1
141 1 . . . rr_1j5m 1
142 1 . . . rr_1j5m 1
143 1 . . . rr_1j5m 1
144 1 . . . rr_1j5m 1
145 1 . . . rr_1j5m 1
146 1 2 . OR rr_1j5m 1
146 2 . 3 . rr_1j5m 1
146 3 . . . rr_1j5m 1
147 1 . . . rr_1j5m 1
148 1 . . . rr_1j5m 1
149 1 . . . rr_1j5m 1
150 1 . . . rr_1j5m 1
151 1 . . . rr_1j5m 1
152 1 . . . rr_1j5m 1
153 1 . . . rr_1j5m 1
154 1 . . . rr_1j5m 1
155 1 . . . rr_1j5m 1
156 1 . . . rr_1j5m 1
157 1 . . . rr_1j5m 1
158 1 . . . rr_1j5m 1
159 1 . . . rr_1j5m 1
160 1 . . . rr_1j5m 1
161 1 . . . rr_1j5m 1
162 1 . . . rr_1j5m 1
163 1 . . . rr_1j5m 1
164 1 . . . rr_1j5m 1
165 1 . . . rr_1j5m 1
166 1 . . . rr_1j5m 1
167 1 . . . rr_1j5m 1
168 1 . . . rr_1j5m 1
169 1 . . . rr_1j5m 1
170 1 . . . rr_1j5m 1
171 1 . . . rr_1j5m 1
172 1 . . . rr_1j5m 1
173 1 . . . rr_1j5m 1
174 1 . . . rr_1j5m 1
175 1 . . . rr_1j5m 1
176 1 . . . rr_1j5m 1
177 1 . . . rr_1j5m 1
178 1 2 . OR rr_1j5m 1
178 2 . 3 . rr_1j5m 1
178 3 . . . rr_1j5m 1
179 1 2 . OR rr_1j5m 1
179 2 . 3 . rr_1j5m 1
179 3 . . . rr_1j5m 1
180 1 . . . rr_1j5m 1
181 1 . . . rr_1j5m 1
182 1 . . . rr_1j5m 1
183 1 2 . OR rr_1j5m 1
183 2 . 3 . rr_1j5m 1
183 3 . . . rr_1j5m 1
184 1 . . . rr_1j5m 1
185 1 . . . rr_1j5m 1
186 1 . . . rr_1j5m 1
187 1 . . . rr_1j5m 1
188 1 2 . OR rr_1j5m 1
188 2 . 3 . rr_1j5m 1
188 3 . . . rr_1j5m 1
189 1 . . . rr_1j5m 1
190 1 . . . rr_1j5m 1
191 1 . . . rr_1j5m 1
192 1 2 . OR rr_1j5m 1
192 2 . 3 . rr_1j5m 1
192 3 . . . rr_1j5m 1
193 1 . . . rr_1j5m 1
194 1 . . . rr_1j5m 1
195 1 . . . rr_1j5m 1
196 1 . . . rr_1j5m 1
197 1 . . . rr_1j5m 1
198 1 . . . rr_1j5m 1
199 1 . . . rr_1j5m 1
200 1 . . . rr_1j5m 1
201 1 2 . OR rr_1j5m 1
201 2 . 3 . rr_1j5m 1
201 3 . . . rr_1j5m 1
202 1 . . . rr_1j5m 1
203 1 . . . rr_1j5m 1
204 1 2 . OR rr_1j5m 1
204 2 . 3 . rr_1j5m 1
204 3 . . . rr_1j5m 1
205 1 2 . OR rr_1j5m 1
205 2 . 3 . rr_1j5m 1
205 3 . . . rr_1j5m 1
206 1 . . . rr_1j5m 1
207 1 . . . rr_1j5m 1
208 1 . . . rr_1j5m 1
209 1 . . . rr_1j5m 1
210 1 . . . rr_1j5m 1
211 1 . . . rr_1j5m 1
212 1 . . . rr_1j5m 1
213 1 2 . OR rr_1j5m 1
213 2 . 3 . rr_1j5m 1
213 3 . . . rr_1j5m 1
214 1 . . . rr_1j5m 1
215 1 2 . OR rr_1j5m 1
215 2 . 3 . rr_1j5m 1
215 3 . . . rr_1j5m 1
216 1 . . . rr_1j5m 1
217 1 2 . OR rr_1j5m 1
217 2 . 3 . rr_1j5m 1
217 3 . . . rr_1j5m 1
218 1 . . . rr_1j5m 1
219 1 . . . rr_1j5m 1
220 1 2 . OR rr_1j5m 1
220 2 . 3 . rr_1j5m 1
220 3 . . . rr_1j5m 1
221 1 . . . rr_1j5m 1
222 1 . . . rr_1j5m 1
223 1 . . . rr_1j5m 1
224 1 . . . rr_1j5m 1
225 1 . . . rr_1j5m 1
226 1 . . . rr_1j5m 1
227 1 . . . rr_1j5m 1
228 1 . . . rr_1j5m 1
229 1 . . . rr_1j5m 1
230 1 . . . rr_1j5m 1
231 1 . . . rr_1j5m 1
232 1 . . . rr_1j5m 1
233 1 . . . rr_1j5m 1
234 1 . . . rr_1j5m 1
235 1 . . . rr_1j5m 1
236 1 . . . rr_1j5m 1
237 1 . . . rr_1j5m 1
238 1 . . . rr_1j5m 1
239 1 . . . rr_1j5m 1
240 1 . . . rr_1j5m 1
241 1 . . . rr_1j5m 1
242 1 . . . rr_1j5m 1
243 1 2 . OR rr_1j5m 1
243 2 . 3 . rr_1j5m 1
243 3 . . . rr_1j5m 1
244 1 . . . rr_1j5m 1
245 1 . . . rr_1j5m 1
246 1 . . . rr_1j5m 1
247 1 . . . rr_1j5m 1
248 1 . . . rr_1j5m 1
249 1 . . . rr_1j5m 1
250 1 . . . rr_1j5m 1
251 1 . . . rr_1j5m 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 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
1 1 . 2 . 1 1 16 16 CYS HB3 H . . . . 16 . HB1 rr_1j5m 1
2 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
2 1 . 2 . 1 1 8 8 LYS HB2 H . . . . 8 . HB2 rr_1j5m 1
3 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
3 1 . 2 . 1 1 20 20 CYS HB2 H . . . . 20 . HB2 rr_1j5m 1
4 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
4 1 . 2 . 1 1 15 15 GLY HA2 H . . . . 15 . HA2 rr_1j5m 1
5 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
5 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
6 1 . 1 . 1 1 28 28 ALA H H . . . . 28 . HN rr_1j5m 1
6 1 . 2 . 1 1 27 27 CYS HB2 H . . . . 27 . HB2 rr_1j5m 1
7 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
7 1 . 2 . 1 1 18 18 THR HA H . . . . 18 . HA rr_1j5m 1
8 1 . 1 . 1 1 27 27 CYS HB2 H . . . . 27 . HB2 rr_1j5m 1
8 1 . 2 . 1 1 27 27 CYS HA H . . . . 27 . HA rr_1j5m 1
9 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
9 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1j5m 1
10 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
10 1 . 2 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
11 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
11 1 . 2 . 1 1 9 9 CYS HA H . . . . 9 . HA rr_1j5m 1
12 1 . 1 . 1 1 23 23 THR MG H . . . . 23 . HG2* rr_1j5m 1
12 1 . 2 . 1 1 23 23 THR HA H . . . . 23 . HA rr_1j5m 1
13 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
13 1 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
14 1 . 1 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
14 1 . 2 . 1 1 18 18 THR HA H . . . . 18 . HA rr_1j5m 1
15 2 . 1 . 1 1 8 8 LYS HD2 H . . . . 8 . HD* rr_1j5m 1
15 2 . 2 . 1 1 8 8 LYS HG3 H . . . . 8 . HG1 rr_1j5m 1
15 3 . 1 . 1 1 8 8 LYS HD3 H . . . . 8 . HD* rr_1j5m 1
15 3 . 2 . 1 1 8 8 LYS HG3 H . . . . 8 . HG1 rr_1j5m 1
16 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
16 1 . 2 . 1 1 14 14 GLY HA2 H . . . . 14 . HA2 rr_1j5m 1
17 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
17 1 . 2 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1j5m 1
18 1 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
18 1 . 2 . 1 1 16 16 CYS HA H . . . . 16 . HA rr_1j5m 1
19 1 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
19 1 . 2 . 1 1 18 18 THR HB H . . . . 18 . HB rr_1j5m 1
20 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
20 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
21 2 . 1 . 1 1 17 17 LYS HG2 H . . . . 17 . HG* rr_1j5m 1
21 2 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
21 3 . 1 . 1 1 17 17 LYS HG3 H . . . . 17 . HG* rr_1j5m 1
21 3 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
22 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
22 1 . 2 . 1 1 13 13 GLU HB2 H . . . . 13 . HB2 rr_1j5m 1
23 1 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB1 rr_1j5m 1
23 1 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1j5m 1
24 2 . 1 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
24 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
24 3 . 1 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
24 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
25 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
25 1 . 2 . 1 1 16 16 CYS HB2 H . . . . 16 . HB2 rr_1j5m 1
26 1 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
26 1 . 2 . 1 1 27 27 CYS HB3 H . . . . 27 . HB1 rr_1j5m 1
27 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
27 1 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB1 rr_1j5m 1
28 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
28 1 . 2 . 1 1 14 14 GLY HA3 H . . . . 14 . HA1 rr_1j5m 1
29 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
29 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
30 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
30 1 . 2 . 1 1 7 7 ASP H H . . . . 7 . HN rr_1j5m 1
31 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
31 1 . 2 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
32 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
32 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
33 2 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
33 2 . 2 . 1 1 13 13 GLU HG2 H . . . . 13 . HG* rr_1j5m 1
33 3 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
33 3 . 2 . 1 1 13 13 GLU HG3 H . . . . 13 . HG* rr_1j5m 1
34 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
34 1 . 2 . 1 1 8 8 LYS HG3 H . . . . 8 . HG1 rr_1j5m 1
35 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
35 1 . 2 . 1 1 13 13 GLU HB3 H . . . . 13 . HB1 rr_1j5m 1
36 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
36 1 . 2 . 1 1 13 13 GLU HA H . . . . 13 . HA rr_1j5m 1
37 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
37 1 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 . HB2 rr_1j5m 1
38 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
38 1 . 2 . 1 1 21 21 LYS HA H . . . . 21 . HA rr_1j5m 1
39 1 . 1 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
39 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
40 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
40 1 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD1 rr_1j5m 1
41 1 . 1 . 1 1 28 28 ALA H H . . . . 28 . HN rr_1j5m 1
41 1 . 2 . 1 1 27 27 CYS HB3 H . . . . 27 . HB1 rr_1j5m 1
42 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
42 1 . 2 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
43 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
43 1 . 2 . 1 1 13 13 GLU HB3 H . . . . 13 . HB1 rr_1j5m 1
44 1 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
44 1 . 2 . 1 1 19 19 GLY HA3 H . . . . 19 . HA1 rr_1j5m 1
45 1 . 1 . 1 1 24 24 SER HA H . . . . 24 . HA rr_1j5m 1
45 1 . 2 . 1 1 24 24 SER HB3 H . . . . 24 . HB1 rr_1j5m 1
46 1 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
46 1 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
47 1 . 1 . 1 1 3 3 PRO HD3 H . . . . 3 . HD1 rr_1j5m 1
47 1 . 2 . 1 1 17 17 LYS HB3 H . . . . 17 . HB1 rr_1j5m 1
48 2 . 1 . 1 1 21 21 LYS HG2 H . . . . 21 . HG* rr_1j5m 1
48 2 . 2 . 1 1 21 21 LYS HA H . . . . 21 . HA rr_1j5m 1
48 3 . 1 . 1 1 21 21 LYS HG3 H . . . . 21 . HG* rr_1j5m 1
48 3 . 2 . 1 1 21 21 LYS HA H . . . . 21 . HA rr_1j5m 1
49 1 . 1 . 1 1 7 7 ASP H H . . . . 7 . HN rr_1j5m 1
49 1 . 2 . 1 1 7 7 ASP HB2 H . . . . 7 . HB2 rr_1j5m 1
50 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
50 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_1j5m 1
51 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
51 1 . 2 . 1 1 6 6 LYS HB2 H . . . . 6 . HB2 rr_1j5m 1
52 1 . 1 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1j5m 1
52 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1j5m 1
53 1 . 1 . 1 1 18 18 THR HA H . . . . 18 . HA rr_1j5m 1
53 1 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
54 1 . 1 . 1 1 28 28 ALA H H . . . . 28 . HN rr_1j5m 1
54 1 . 2 . 1 1 28 28 ALA HA H . . . . 28 . HA rr_1j5m 1
55 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
55 1 . 2 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
56 1 . 1 . 1 1 7 7 ASP HB2 H . . . . 7 . HB2 rr_1j5m 1
56 1 . 2 . 1 1 7 7 ASP HA H . . . . 7 . HA rr_1j5m 1
57 1 . 1 . 1 1 7 7 ASP H H . . . . 7 . HN rr_1j5m 1
57 1 . 2 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
58 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
58 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 . HB* rr_1j5m 1
59 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
59 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1j5m 1
60 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
60 1 . 2 . 1 1 14 14 GLY HA2 H . . . . 14 . HA2 rr_1j5m 1
61 1 . 1 . 1 1 26 26 ARG H H . . . . 26 . HN rr_1j5m 1
61 1 . 2 . 1 1 26 26 ARG HB2 H . . . . 26 . HB2 rr_1j5m 1
62 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
62 1 . 2 . 1 1 12 12 ALA HA H . . . . 12 . HA rr_1j5m 1
63 1 . 1 . 1 1 26 26 ARG H H . . . . 26 . HN rr_1j5m 1
63 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 25 . HB1 rr_1j5m 1
64 1 . 1 . 1 1 26 26 ARG HG2 H . . . . 26 . HG2 rr_1j5m 1
64 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 25 . HB2 rr_1j5m 1
65 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
65 1 . 2 . 1 1 8 8 LYS HA H . . . . 8 . HA rr_1j5m 1
66 1 . 1 . 1 1 28 28 ALA H H . . . . 28 . HN rr_1j5m 1
66 1 . 2 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
67 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
67 1 . 2 . 1 1 13 13 GLU HA H . . . . 13 . HA rr_1j5m 1
68 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
68 1 . 2 . 1 1 15 15 GLY HA3 H . . . . 15 . HA1 rr_1j5m 1
69 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
69 1 . 2 . 1 1 24 24 SER HA H . . . . 24 . HA rr_1j5m 1
70 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
70 1 . 2 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
71 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
71 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1j5m 1
72 1 . 1 . 1 1 8 8 LYS HB3 H . . . . 8 . HB1 rr_1j5m 1
72 1 . 2 . 1 1 8 8 LYS HA H . . . . 8 . HA rr_1j5m 1
73 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
73 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1j5m 1
74 1 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
74 1 . 2 . 1 1 27 27 CYS HB2 H . . . . 27 . HB2 rr_1j5m 1
75 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
75 1 . 2 . 1 1 6 6 LYS HB3 H . . . . 6 . HB1 rr_1j5m 1
76 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
76 1 . 2 . 1 1 15 15 GLY HA3 H . . . . 15 . HA1 rr_1j5m 1
77 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
77 1 . 2 . 1 1 17 17 LYS HB3 H . . . . 17 . HB1 rr_1j5m 1
78 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
78 1 . 2 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
79 2 . 1 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
79 2 . 2 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
79 3 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
79 3 . 2 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
80 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
80 1 . 2 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
81 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
81 1 . 2 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1j5m 1
82 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
82 1 . 2 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
83 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
83 1 . 2 . 1 1 23 23 THR HA H . . . . 23 . HA rr_1j5m 1
84 1 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
84 1 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1j5m 1
85 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
85 1 . 2 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
86 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
86 1 . 2 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
87 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
87 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1j5m 1
88 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
88 1 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1j5m 1
89 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
89 1 . 2 . 1 1 24 24 SER HB2 H . . . . 24 . HB2 rr_1j5m 1
90 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
90 1 . 2 . 1 1 23 23 THR MG H . . . . 23 . HG2* rr_1j5m 1
91 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
91 1 . 2 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
92 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
92 1 . 2 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
93 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
93 1 . 2 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
94 2 . 1 . 1 1 8 8 LYS HD2 H . . . . 8 . HD* rr_1j5m 1
94 2 . 2 . 1 1 8 8 LYS HE2 H . . . . 8 . HE* rr_1j5m 1
94 3 . 1 . 1 1 8 8 LYS HD3 H . . . . 8 . HD* rr_1j5m 1
94 3 . 2 . 1 1 8 8 LYS HE2 H . . . . 8 . HE* rr_1j5m 1
94 4 . 1 . 1 1 8 8 LYS HD2 H . . . . 8 . HD* rr_1j5m 1
94 4 . 2 . 1 1 8 8 LYS HE3 H . . . . 8 . HE* rr_1j5m 1
94 5 . 1 . 1 1 8 8 LYS HD3 H . . . . 8 . HD* rr_1j5m 1
94 5 . 2 . 1 1 8 8 LYS HE3 H . . . . 8 . HE* rr_1j5m 1
95 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
95 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 . HB* rr_1j5m 1
96 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
96 1 . 2 . 1 1 20 20 CYS HB3 H . . . . 20 . HB1 rr_1j5m 1
97 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
97 1 . 2 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1j5m 1
98 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
98 1 . 2 . 1 1 9 9 CYS HB3 H . . . . 9 . HB1 rr_1j5m 1
99 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
99 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_1j5m 1
100 1 . 1 . 1 1 28 28 ALA H H . . . . 28 . HN rr_1j5m 1
100 1 . 2 . 1 1 28 28 ALA MB H . . . . 28 . HB* rr_1j5m 1
101 2 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
101 2 . 2 . 1 1 6 6 LYS HG2 H . . . . 6 . HG* rr_1j5m 1
101 3 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
101 3 . 2 . 1 1 6 6 LYS HG3 H . . . . 6 . HG* rr_1j5m 1
102 1 . 1 . 1 1 16 16 CYS HB3 H . . . . 16 . HB1 rr_1j5m 1
102 1 . 2 . 1 1 16 16 CYS HA H . . . . 16 . HA rr_1j5m 1
103 2 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
103 2 . 2 . 1 1 21 21 LYS HG2 H . . . . 21 . HG* rr_1j5m 1
103 3 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
103 3 . 2 . 1 1 21 21 LYS HG3 H . . . . 21 . HG* rr_1j5m 1
104 1 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
104 1 . 2 . 1 1 17 17 LYS HB2 H . . . . 17 . HB2 rr_1j5m 1
105 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
105 1 . 2 . 1 1 6 6 LYS HB2 H . . . . 6 . HB2 rr_1j5m 1
106 1 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
106 1 . 2 . 1 1 19 19 GLY HA2 H . . . . 19 . HA2 rr_1j5m 1
107 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
107 1 . 2 . 1 1 7 7 ASP H H . . . . 7 . HN rr_1j5m 1
108 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
108 1 . 2 . 1 1 16 16 CYS HB3 H . . . . 16 . HB1 rr_1j5m 1
109 1 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
109 1 . 2 . 1 1 16 16 CYS HB2 H . . . . 16 . HB2 rr_1j5m 1
110 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
110 1 . 2 . 1 1 14 14 GLY HA3 H . . . . 14 . HA1 rr_1j5m 1
111 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
111 1 . 2 . 1 1 24 24 SER HB3 H . . . . 24 . HB1 rr_1j5m 1
112 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
112 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
113 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
113 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 25 . HB1 rr_1j5m 1
114 2 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
114 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
114 3 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
114 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
115 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
115 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1j5m 1
116 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
116 1 . 2 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
117 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
117 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
118 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
118 1 . 2 . 1 1 17 17 LYS HB3 H . . . . 17 . HB1 rr_1j5m 1
119 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
119 1 . 2 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
120 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
120 1 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB1 rr_1j5m 1
121 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
121 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
122 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
122 1 . 2 . 1 1 19 19 GLY HA3 H . . . . 19 . HA1 rr_1j5m 1
123 2 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
123 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
123 3 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
123 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
124 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
124 1 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
125 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
125 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
126 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
126 1 . 2 . 1 1 15 15 GLY HA2 H . . . . 15 . HA2 rr_1j5m 1
127 2 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
127 2 . 2 . 1 1 21 21 LYS HG2 H . . . . 21 . HG* rr_1j5m 1
127 3 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
127 3 . 2 . 1 1 21 21 LYS HG3 H . . . . 21 . HG* rr_1j5m 1
128 2 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
128 2 . 2 . 1 1 13 13 GLU HG2 H . . . . 13 . HG* rr_1j5m 1
128 3 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
128 3 . 2 . 1 1 13 13 GLU HG3 H . . . . 13 . HG* rr_1j5m 1
129 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
129 1 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD2 rr_1j5m 1
130 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
130 1 . 2 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
131 1 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
131 1 . 2 . 1 1 20 20 CYS HB3 H . . . . 20 . HB1 rr_1j5m 1
132 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
132 1 . 2 . 1 1 17 17 LYS HB2 H . . . . 17 . HB2 rr_1j5m 1
133 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
133 1 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 . HB2 rr_1j5m 1
134 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
134 1 . 2 . 1 1 13 13 GLU HB2 H . . . . 13 . HB2 rr_1j5m 1
135 2 . 1 . 1 1 8 8 LYS HG2 H . . . . 8 . HG2 rr_1j5m 1
135 2 . 2 . 1 1 8 8 LYS HE2 H . . . . 8 . HE* rr_1j5m 1
135 3 . 1 . 1 1 8 8 LYS HG2 H . . . . 8 . HG2 rr_1j5m 1
135 3 . 2 . 1 1 8 8 LYS HE3 H . . . . 8 . HE* rr_1j5m 1
136 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
136 1 . 2 . 1 1 8 8 LYS HG2 H . . . . 8 . HG2 rr_1j5m 1
137 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
137 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
138 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
138 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
139 1 . 1 . 1 1 7 7 ASP H H . . . . 7 . HN rr_1j5m 1
139 1 . 2 . 1 1 7 7 ASP HB3 H . . . . 7 . HB1 rr_1j5m 1
140 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
140 1 . 2 . 1 1 24 24 SER HB2 H . . . . 24 . HB2 rr_1j5m 1
141 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
141 1 . 2 . 1 1 8 8 LYS HB3 H . . . . 8 . HB1 rr_1j5m 1
142 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
142 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1j5m 1
143 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
143 1 . 2 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
144 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
144 1 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1j5m 1
145 1 . 1 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
145 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
146 2 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
146 2 . 2 . 1 1 17 17 LYS HD2 H . . . . 17 . HD* rr_1j5m 1
146 3 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
146 3 . 2 . 1 1 17 17 LYS HD3 H . . . . 17 . HD* rr_1j5m 1
147 1 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
147 1 . 2 . 1 1 21 21 LYS HB3 H . . . . 21 . HB1 rr_1j5m 1
148 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
148 1 . 2 . 1 1 7 7 ASP HB3 H . . . . 7 . HB1 rr_1j5m 1
149 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
149 1 . 2 . 1 1 7 7 ASP HB2 H . . . . 7 . HB2 rr_1j5m 1
150 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
150 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1j5m 1
151 1 . 1 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
151 1 . 2 . 1 1 17 17 LYS HB3 H . . . . 17 . HB1 rr_1j5m 1
152 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
152 1 . 2 . 1 1 19 19 GLY HA2 H . . . . 19 . HA2 rr_1j5m 1
153 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
153 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 25 . HB2 rr_1j5m 1
154 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
154 1 . 2 . 1 1 7 7 ASP HA H . . . . 7 . HA rr_1j5m 1
155 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
155 1 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
156 1 . 1 . 1 1 26 26 ARG H H . . . . 26 . HN rr_1j5m 1
156 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 25 . HB2 rr_1j5m 1
157 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
157 1 . 2 . 1 1 14 14 GLY HA2 H . . . . 14 . HA2 rr_1j5m 1
158 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
158 1 . 2 . 1 1 8 8 LYS HB3 H . . . . 8 . HB1 rr_1j5m 1
159 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
159 1 . 2 . 1 1 21 21 LYS HA H . . . . 21 . HA rr_1j5m 1
160 1 . 1 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
160 1 . 2 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
161 1 . 1 . 1 1 12 12 ALA MB H . . . . 12 . HB* rr_1j5m 1
161 1 . 2 . 1 1 12 12 ALA HA H . . . . 12 . HA rr_1j5m 1
162 1 . 1 . 1 1 24 24 SER HB2 H . . . . 24 . HB2 rr_1j5m 1
162 1 . 2 . 1 1 24 24 SER HA H . . . . 24 . HA rr_1j5m 1
163 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
163 1 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
164 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
164 1 . 2 . 1 1 8 8 LYS HB2 H . . . . 8 . HB2 rr_1j5m 1
165 1 . 1 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
165 1 . 2 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
166 1 . 1 . 1 1 7 7 ASP HA H . . . . 7 . HA rr_1j5m 1
166 1 . 2 . 1 1 7 7 ASP HB2 H . . . . 7 . HB2 rr_1j5m 1
167 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
167 1 . 2 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
168 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
168 1 . 2 . 1 1 24 24 SER HB3 H . . . . 24 . HB1 rr_1j5m 1
169 1 . 1 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
169 1 . 2 . 1 1 13 13 GLU HB2 H . . . . 13 . HB2 rr_1j5m 1
170 1 . 1 . 1 1 24 24 SER HB3 H . . . . 24 . HB1 rr_1j5m 1
170 1 . 2 . 1 1 24 24 SER HA H . . . . 24 . HA rr_1j5m 1
171 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
171 1 . 2 . 1 1 12 12 ALA HA H . . . . 12 . HA rr_1j5m 1
172 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
172 1 . 2 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1j5m 1
173 1 . 1 . 1 1 6 6 LYS HB3 H . . . . 6 . HB1 rr_1j5m 1
173 1 . 2 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
174 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
174 1 . 2 . 1 1 3 3 PRO HA H . . . . 3 . HA rr_1j5m 1
175 1 . 1 . 1 1 26 26 ARG HG3 H . . . . 26 . HG1 rr_1j5m 1
175 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 25 . HB2 rr_1j5m 1
176 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
176 1 . 2 . 1 1 24 24 SER HA H . . . . 24 . HA rr_1j5m 1
177 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
177 1 . 2 . 1 1 6 6 LYS HB3 H . . . . 6 . HB1 rr_1j5m 1
178 2 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
178 2 . 2 . 1 1 21 21 LYS HD2 H . . . . 21 . HD* rr_1j5m 1
178 3 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
178 3 . 2 . 1 1 21 21 LYS HD3 H . . . . 21 . HD* rr_1j5m 1
179 2 . 1 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
179 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
179 3 . 1 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1j5m 1
179 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
180 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
180 1 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1j5m 1
181 1 . 1 . 1 1 26 26 ARG H H . . . . 26 . HN rr_1j5m 1
181 1 . 2 . 1 1 26 26 ARG HB3 H . . . . 26 . HB1 rr_1j5m 1
182 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
182 1 . 2 . 1 1 16 16 CYS HB3 H . . . . 16 . HB1 rr_1j5m 1
183 2 . 1 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
183 2 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
183 3 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
183 3 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
184 1 . 1 . 1 1 26 26 ARG HB3 H . . . . 26 . HB1 rr_1j5m 1
184 1 . 2 . 1 1 25 25 CYS HA H . . . . 25 . HA rr_1j5m 1
185 1 . 1 . 1 1 27 27 CYS HB3 H . . . . 27 . HB1 rr_1j5m 1
185 1 . 2 . 1 1 27 27 CYS HA H . . . . 27 . HA rr_1j5m 1
186 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
186 1 . 2 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
187 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 1
187 1 . 2 . 1 1 23 23 THR MG H . . . . 23 . HG2* rr_1j5m 1
188 2 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
188 2 . 2 . 1 1 6 6 LYS HG2 H . . . . 6 . HG* rr_1j5m 1
188 3 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
188 3 . 2 . 1 1 6 6 LYS HG3 H . . . . 6 . HG* rr_1j5m 1
189 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
189 1 . 2 . 1 1 6 6 LYS HB2 H . . . . 6 . HB2 rr_1j5m 1
190 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
190 1 . 2 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
191 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
191 1 . 2 . 1 1 16 16 CYS HA H . . . . 16 . HA rr_1j5m 1
192 2 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
192 2 . 2 . 1 1 21 21 LYS HD2 H . . . . 21 . HD* rr_1j5m 1
192 3 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
192 3 . 2 . 1 1 21 21 LYS HD3 H . . . . 21 . HD* rr_1j5m 1
193 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
193 1 . 2 . 1 1 21 21 LYS HB3 H . . . . 21 . HB1 rr_1j5m 1
194 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
194 1 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD1 rr_1j5m 1
195 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
195 1 . 2 . 1 1 24 24 SER HB2 H . . . . 24 . HB2 rr_1j5m 1
196 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
196 1 . 2 . 1 1 13 13 GLU HB3 H . . . . 13 . HB1 rr_1j5m 1
197 1 . 1 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
197 1 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
198 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
198 1 . 2 . 1 1 8 8 LYS HG2 H . . . . 8 . HG2 rr_1j5m 1
199 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1j5m 1
199 1 . 2 . 1 1 8 8 LYS HG3 H . . . . 8 . HG1 rr_1j5m 1
200 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
200 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1j5m 1
201 2 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
201 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
201 3 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
201 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
202 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
202 1 . 2 . 1 1 7 7 ASP HB2 H . . . . 7 . HB2 rr_1j5m 1
203 1 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
203 1 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB1 rr_1j5m 1
204 2 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
204 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
204 3 . 1 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
204 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
205 2 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
205 2 . 2 . 1 1 26 26 ARG HD2 H . . . . 26 . HD* rr_1j5m 1
205 3 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
205 3 . 2 . 1 1 26 26 ARG HD3 H . . . . 26 . HD* rr_1j5m 1
206 1 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
206 1 . 2 . 1 1 26 26 ARG HB3 H . . . . 26 . HB1 rr_1j5m 1
207 1 . 1 . 1 1 27 27 CYS H H . . . . 27 . HN rr_1j5m 1
207 1 . 2 . 1 1 26 26 ARG HG2 H . . . . 26 . HG2 rr_1j5m 1
208 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
208 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 25 . HB2 rr_1j5m 1
209 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
209 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 25 . HB1 rr_1j5m 1
210 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1j5m 1
210 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 . HB* rr_1j5m 1
211 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
211 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 . HB* rr_1j5m 1
212 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
212 1 . 2 . 1 1 13 13 GLU HB3 H . . . . 13 . HB1 rr_1j5m 1
213 2 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
213 2 . 2 . 1 1 13 13 GLU HG2 H . . . . 13 . HG* rr_1j5m 1
213 3 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
213 3 . 2 . 1 1 13 13 GLU HG3 H . . . . 13 . HG* rr_1j5m 1
214 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
214 1 . 2 . 1 1 15 15 GLY HA2 H . . . . 15 . HA2 rr_1j5m 1
215 2 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
215 2 . 2 . 1 1 8 8 LYS HD2 H . . . . 8 . HD* rr_1j5m 1
215 3 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
215 3 . 2 . 1 1 8 8 LYS HD3 H . . . . 8 . HD* rr_1j5m 1
216 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
216 1 . 2 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1j5m 1
217 2 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
217 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
217 3 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
217 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
218 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
218 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1j5m 1
219 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
219 1 . 2 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
220 2 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
220 2 . 2 . 1 1 6 6 LYS HG2 H . . . . 6 . HG* rr_1j5m 1
220 3 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
220 3 . 2 . 1 1 6 6 LYS HG3 H . . . . 6 . HG* rr_1j5m 1
221 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
221 1 . 2 . 1 1 6 6 LYS HB2 H . . . . 6 . HB2 rr_1j5m 1
222 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
222 1 . 2 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1j5m 1
223 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
223 1 . 2 . 1 1 23 23 THR MG H . . . . 23 . HG2* rr_1j5m 1
224 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
224 1 . 2 . 1 1 22 22 CYS HB3 H . . . . 22 . HB1 rr_1j5m 1
225 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
225 1 . 2 . 1 1 22 22 CYS HA H . . . . 22 . HA rr_1j5m 1
226 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
226 1 . 2 . 1 1 17 17 LYS HB2 H . . . . 17 . HB2 rr_1j5m 1
227 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
227 1 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD1 rr_1j5m 1
228 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
228 1 . 2 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
229 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
229 1 . 2 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
230 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
230 1 . 2 . 1 1 26 26 ARG H H . . . . 26 . HN rr_1j5m 1
231 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
231 1 . 2 . 1 1 6 6 LYS H H . . . . 6 . HN rr_1j5m 1
232 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
232 1 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
233 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
233 1 . 2 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
234 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_1j5m 1
234 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
235 1 . 1 . 1 1 8 8 LYS H H . . . . 8 . HN rr_1j5m 1
235 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
236 1 . 1 . 1 1 13 13 GLU H H . . . . 13 . HN rr_1j5m 1
236 1 . 2 . 1 1 15 15 GLY H H . . . . 15 . HN rr_1j5m 1
237 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
237 1 . 2 . 1 1 12 12 ALA H H . . . . 12 . HN rr_1j5m 1
238 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
238 1 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
239 1 . 1 . 1 1 18 18 THR H H . . . . 18 . HN rr_1j5m 1
239 1 . 2 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1j5m 1
240 1 . 1 . 1 1 16 16 CYS H H . . . . 16 . HN rr_1j5m 1
240 1 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1j5m 1
241 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1j5m 1
241 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_1j5m 1
242 1 . 1 . 1 1 23 23 THR H H . . . . 23 . HN rr_1j5m 1
242 1 . 2 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
243 2 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
243 2 . 2 . 1 1 5 5 CYS HB2 H . . . . 5 . HB* rr_1j5m 1
243 3 . 1 . 1 1 21 21 LYS H H . . . . 21 . HN rr_1j5m 1
243 3 . 2 . 1 1 5 5 CYS HB3 H . . . . 5 . HB* rr_1j5m 1
244 1 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1j5m 1
244 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1j5m 1
245 1 . 1 . 1 1 25 25 CYS H H . . . . 25 . HN rr_1j5m 1
245 1 . 2 . 1 1 22 22 CYS HB2 H . . . . 22 . HB2 rr_1j5m 1
246 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
246 1 . 2 . 1 1 17 17 LYS HB3 H . . . . 17 . HB1 rr_1j5m 1
247 1 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
247 1 . 2 . 1 1 8 8 LYS HG2 H . . . . 8 . HG2 rr_1j5m 1
248 1 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1j5m 1
248 1 . 2 . 1 1 15 15 GLY HA2 H . . . . 15 . HA2 rr_1j5m 1
249 1 . 1 . 1 1 18 18 THR MG H . . . . 18 . HG2* rr_1j5m 1
249 1 . 2 . 1 1 19 19 GLY HA2 H . . . . 19 . HA2 rr_1j5m 1
250 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1j5m 1
250 1 . 2 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 1
251 1 . 1 . 1 1 6 6 LYS HA H . . . . 6 . HA rr_1j5m 1
251 1 . 2 . 1 1 7 7 ASP HB3 H . . . . 7 . HB1 rr_1j5m 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
2 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
3 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
4 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
5 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
6 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
7 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
8 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
9 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
10 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
11 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
12 1 . . . . . . 3.2 1.6 3.2 rr_1j5m 1
13 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
14 1 . . . . . . 3.2 1.6 3.2 rr_1j5m 1
15 2 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
15 3 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
16 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
17 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
18 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
19 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
20 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
21 2 . . . . . . 3.2 1.6 3.2 rr_1j5m 1
21 3 . . . . . . 3.2 1.6 3.2 rr_1j5m 1
22 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
23 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
24 2 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
24 3 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
25 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
26 1 . . . . . . 2.7 1.8 2.7 rr_1j5m 1
27 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
28 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
29 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
30 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
31 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
32 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
33 2 . . . . . . 4.3 1.8 4.3 rr_1j5m 1
33 3 . . . . . . 4.3 1.8 4.3 rr_1j5m 1
34 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
35 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
36 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
37 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
38 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
39 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
40 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
41 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
42 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
43 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
44 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
45 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
46 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
47 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
48 2 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
48 3 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
49 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
50 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
51 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
52 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
53 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
54 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
55 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
56 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
57 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
58 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
59 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
60 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
61 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
62 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
63 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
64 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
65 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
66 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
67 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
68 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
69 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
70 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
71 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
72 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
73 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
74 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
75 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
76 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
77 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
78 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
79 2 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
79 3 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
80 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
81 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
82 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
83 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
84 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
85 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
86 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
87 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
88 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
89 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
90 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
91 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
92 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
93 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
94 2 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
94 3 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
94 4 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
94 5 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
95 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
96 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
97 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
98 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
99 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
100 1 . . . . . . 4.1 1.8 4.1 rr_1j5m 1
101 2 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
101 3 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
102 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
103 2 . . . . . . 4.3 1.8 4.3 rr_1j5m 1
103 3 . . . . . . 4.3 1.8 4.3 rr_1j5m 1
104 1 . . . . . . 3.6 1.1 3.6 rr_1j5m 1
105 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
106 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
107 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
108 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
109 1 . . . . . . 3.6 1.8 3.6 rr_1j5m 1
110 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
111 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
112 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
113 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
114 2 . . . . . . 4.5 1.0 4.5 rr_1j5m 1
114 3 . . . . . . 4.5 1.0 4.5 rr_1j5m 1
115 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
116 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
117 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
118 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
119 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
120 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
121 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
122 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
123 2 . . . . . . 4.5 1.0 4.5 rr_1j5m 1
123 3 . . . . . . 4.5 1.0 4.5 rr_1j5m 1
124 1 . . . . . . 5.0 1.8 5.0 rr_1j5m 1
125 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
126 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
127 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
127 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
128 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
128 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
129 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
130 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
131 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
132 1 . . . . . . 4.5 1.0 4.5 rr_1j5m 1
133 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
134 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
135 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
135 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
136 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
137 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
138 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
139 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
140 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
141 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
142 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
143 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
144 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
145 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
146 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
146 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
147 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
148 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
149 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
150 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
151 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
152 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
153 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
154 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
155 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
156 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
157 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
158 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
159 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
160 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
161 1 . . . . . . 5.0 2.3 5.0 rr_1j5m 1
162 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
163 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
164 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
165 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
166 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
167 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
168 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
169 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
170 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
171 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
172 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
173 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
174 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
175 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
176 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
177 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
178 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
178 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
179 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
179 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
180 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
181 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
182 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
183 2 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
183 3 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
184 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
185 1 . . . . . . 4.5 1.8 4.5 rr_1j5m 1
186 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
187 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
188 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
188 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
189 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
190 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
191 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
192 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
192 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
193 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
194 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
195 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
196 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
197 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
198 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
199 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
200 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
201 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
201 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
202 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
203 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
204 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
204 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
205 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
205 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
206 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
207 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
208 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
209 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
210 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
211 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
212 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
213 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
213 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
214 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
215 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
215 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
216 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
217 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
217 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
218 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
219 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
220 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
220 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
221 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
222 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
223 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
224 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
225 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
226 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
227 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
228 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
229 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
230 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
231 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
232 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
233 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
234 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
235 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
236 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
237 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
238 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
239 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
240 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
241 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
242 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
243 2 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
243 3 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
244 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
245 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
246 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
247 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
248 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
249 1 . . . . . . 6.3 1.8 6.3 rr_1j5m 1
250 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 1
251 1 . . . . . . 5.8 1.8 5.8 rr_1j5m 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 "strong NOE's <=2.7A int > 5200000" 1 1 1 37 rr_1j5m 1
2 "changed from medium to strong" 23 73 23 104 rr_1j5m 1
3 "changed from medium to strong" 24 73 24 104 rr_1j5m 1
4 "changed back to strong" 25 73 25 96 rr_1j5m 1
5 "medium NOE's ,<3.5A Int >1,000,000 <5,200,000" 31 1 31 49 rr_1j5m 1
6 "added 05/22/2000" 34 75 34 93 rr_1j5m 1
7 "changed from strong to medium" 35 75 35 106 rr_1j5m 1
8 "weak NOE's <=4.5A Int < 1000000" 117 1 117 36 rr_1j5m 1
9 "added May 23 2000" 118 75 118 94 rr_1j5m 1
10 "retintroduced 5/23 2000" 165 75 165 100 rr_1j5m 1
11 "removed NOE's to 3 HG* due to ambiguity" 195 1 195 42 rr_1j5m 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_1j5m
_Distance_constraint_list.ID 2
_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 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_1j5m 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_1j5m 2
2 1 . . . rr_1j5m 2
3 1 . . . rr_1j5m 2
4 1 . . . rr_1j5m 2
5 1 . . . rr_1j5m 2
6 1 . . . rr_1j5m 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 10 10 GLU H H . . . . 10 . HN rr_1j5m 2
1 1 . 2 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1j5m 2
2 1 . 1 . 1 1 10 10 GLU N N . . . . 10 . N rr_1j5m 2
2 1 . 2 . 1 1 5 5 CYS SG S . . . . 5 . SG rr_1j5m 2
3 1 . 1 . 1 1 24 24 SER H H . . . . 24 . HN rr_1j5m 2
3 1 . 2 . 1 1 22 22 CYS SG S . . . . 22 . SG rr_1j5m 2
4 1 . 1 . 1 1 24 24 SER N N . . . . 24 . N rr_1j5m 2
4 1 . 2 . 1 1 22 22 CYS SG S . . . . 22 . SG rr_1j5m 2
5 1 . 1 . 1 1 22 22 CYS H H . . . . 22 . HN rr_1j5m 2
5 1 . 2 . 1 1 20 20 CYS SG S . . . . 20 . SG rr_1j5m 2
6 1 . 1 . 1 1 22 22 CYS N N . . . . 22 . N rr_1j5m 2
6 1 . 2 . 1 1 20 20 CYS SG S . . . . 20 . SG rr_1j5m 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.7 0.0 3.0 rr_1j5m 2
2 1 . . . . . . 3.6 0.0 3.9 rr_1j5m 2
3 1 . . . . . . 2.7 0.0 3.0 rr_1j5m 2
4 1 . . . . . . 3.6 0.0 3.9 rr_1j5m 2
5 1 . . . . . . 2.7 0.0 3.0 rr_1j5m 2
6 1 . . . . . . 3.6 0.0 3.9 rr_1j5m 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 START_OF_Hydrogen_bond__DATA 1 1 1 30 rr_1j5m 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_1j5m
_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 4
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_1j5m 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 . . 1 1 6 6 LYS C C . . 1 1 7 7 ASP N N . . 1 1 7 7 ASP CA C . . 1 1 7 7 ASP C C . -150.0 -90.0 . . . A . 6 LYS C . . A . 7 ASP N . . A . 7 ASP CA . . A . 7 ASP C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1j5m 1
2 . . 1 1 7 7 ASP C C . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . -160.0 -80.0 . . . A . 7 ASP C . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1j5m 1
3 . . 1 1 9 9 CYS C C . . 1 1 10 10 GLU N N . . 1 1 10 10 GLU CA C . . 1 1 10 10 GLU C C . -150.0 -90.0 . . . A . 9 CYS C . . A . 10 GLU N . . A . 10 GLU CA . . A . 10 GLU C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1j5m 1
4 . . 1 1 11 11 CYS C C . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . -160.0 -80.0 . . . A . 11 CYS C . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1j5m 1
5 . . 1 1 12 12 ALA C C . . 1 1 13 13 GLU N N . . 1 1 13 13 GLU CA C . . 1 1 13 13 GLU C C . -160.0 -80.0 . . . A . 12 ALA C . . A . 13 GLU N . . A . 13 GLU CA . . A . 13 GLU C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1j5m 1
6 . . 1 1 16 16 CYS C C . . 1 1 17 17 LYS N N . . 1 1 17 17 LYS CA C . . 1 1 17 17 LYS C C . -160.0 -80.0 . . . A . 16 CYS C . . A . 17 LYS N . . A . 17 LYS CA . . A . 17 LYS C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1j5m 1
7 . . 1 1 19 19 GLY C C . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS C C . -90.0 -30.0 . . . A . 19 GLY C . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1j5m 1
8 . . 1 1 20 20 CYS C C . . 1 1 21 21 LYS N N . . 1 1 21 21 LYS CA C . . 1 1 21 21 LYS C C . -150.0 -90.0 . . . A . 20 CYS C . . A . 21 LYS N . . A . 21 LYS CA . . A . 21 LYS C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1j5m 1
9 . . 1 1 22 22 CYS C C . . 1 1 23 23 THR N N . . 1 1 23 23 THR CA C . . 1 1 23 23 THR C C . -160.0 -80.0 . . . A . 22 CYS C . . A . 23 THR N . . A . 23 THR CA . . A . 23 THR C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1j5m 1
10 . . 1 1 23 23 THR C C . . 1 1 24 24 SER N N . . 1 1 24 24 SER CA C . . 1 1 24 24 SER C C . -160.0 -80.0 . . . A . 23 THR C . . A . 24 SER N . . A . 24 SER CA . . A . 24 SER C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . rr_1j5m 1
11 . . 1 1 24 24 SER C C . . 1 1 25 25 CYS N N . . 1 1 25 25 CYS CA C . . 1 1 25 25 CYS C C . -160.0 -80.0 . . . A . 24 SER C . . A . 25 CYS N . . A . 25 CYS CA . . A . 25 CYS C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . rr_1j5m 1
12 . . 1 1 25 25 CYS C C . . 1 1 26 26 ARG N N . . 1 1 26 26 ARG CA C . . 1 1 26 26 ARG C C . -160.0 -80.0 . . . A . 25 CYS C . . A . 26 ARG N . . A . 26 ARG CA . . A . 26 ARG C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . rr_1j5m 1
13 . . 1 1 26 26 ARG C C . . 1 1 27 27 CYS N N . . 1 1 27 27 CYS CA C . . 1 1 27 27 CYS C C . -160.0 -80.0 . . . A . 26 ARG C . . A . 27 CYS N . . A . 27 CYS CA . . A . 27 CYS C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1j5m 1
14 . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS CB C . . 1 1 4 4 CYS SG S . 30.0 90.0 . . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS CB . . A . 4 CYS SG . . . 4 . N . . . . . 4 . CA . . . . . 4 . CB . . . . . 4 . SG . . rr_1j5m 1
15 . . 1 1 7 7 ASP N N . . 1 1 7 7 ASP CA C . . 1 1 7 7 ASP CB C . . 1 1 7 7 ASP CG C . -90.0 -30.0 . . . A . 7 ASP N . . A . 7 ASP CA . . A . 7 ASP CB . . A . 7 ASP CG . . . 7 . N . . . . . 7 . CA . . . . . 7 . CB . . . . . 7 . CG . . rr_1j5m 1
16 . . 1 1 9 9 CYS N N . . 1 1 9 9 CYS CA C . . 1 1 9 9 CYS CB C . . 1 1 9 9 CYS SG S . 150.0 210.0 . . . A . 9 CYS N . . A . 9 CYS CA . . A . 9 CYS CB . . A . 9 CYS SG . . . 9 . N . . . . . 9 . CA . . . . . 9 . CB . . . . . 9 . SG . . rr_1j5m 1
17 . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS CB C . . 1 1 11 11 CYS SG S . 150.0 210.0 . . . A . 11 CYS N . . A . 11 CYS CA . . A . 11 CYS CB . . A . 11 CYS SG . . . 11 . N . . . . . 11 . CA . . . . . 11 . CB . . . . . 11 . SG . . rr_1j5m 1
18 . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS CB C . . 1 1 16 16 CYS SG S . -90.0 -30.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS CB . . A . 16 CYS SG . . . 16 . N . . . . . 16 . CA . . . . . 16 . CB . . . . . 16 . SG . . rr_1j5m 1
19 . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS CB C . . 1 1 20 20 CYS SG S . 150.0 210.0 . . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS CB . . A . 20 CYS SG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . SG . . rr_1j5m 1
20 . . 1 1 22 22 CYS N N . . 1 1 22 22 CYS CA C . . 1 1 22 22 CYS CB C . . 1 1 22 22 CYS SG S . 150.0 210.0 . . . A . 22 CYS N . . A . 22 CYS CA . . A . 22 CYS CB . . A . 22 CYS SG . . . 22 . N . . . . . 22 . CA . . . . . 22 . CB . . . . . 22 . SG . . rr_1j5m 1
21 . . 1 1 24 24 SER N N . . 1 1 24 24 SER CA C . . 1 1 24 24 SER CB C . . 1 1 24 24 SER OG O . -90.0 -30.0 . . . A . 24 SER N . . A . 24 SER CA . . A . 24 SER CB . . A . 24 SER OG . . . 24 . N . . . . . 24 . CA . . . . . 24 . CB . . . . . 24 . OG . . rr_1j5m 1
22 . . 1 1 25 25 CYS N N . . 1 1 25 25 CYS CA C . . 1 1 25 25 CYS CB C . . 1 1 25 25 CYS SG S . 30.0 90.0 . . . A . 25 CYS N . . A . 25 CYS CA . . A . 25 CYS CB . . A . 25 CYS SG . . . 25 . N . . . . . 25 . CA . . . . . 25 . CB . . . . . 25 . SG . . rr_1j5m 1
23 . . 1 1 27 27 CYS N N . . 1 1 27 27 CYS CA C . . 1 1 27 27 CYS CB C . . 1 1 27 27 CYS SG S . 150.0 210.0 . . . A . 27 CYS N . . A . 27 CYS CA . . A . 27 CYS CB . . A . 27 CYS SG . . . 27 . N . . . . . 27 . CA . . . . . 27 . CB . . . . . 27 . SG . . rr_1j5m 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 end 94 1 94 3 rr_1j5m 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
;!
! Phi restraints: minimum deviation = 30 degrees
! Only residues with JHNA > 9 Hz or JHNA <5.5 Hz are restrained
betan domain
! 7
;
1 1 6 10 rr_1j5m 1
2 "! 8" 9 3 9 10 rr_1j5m 1
3 "! 10" 12 3 12 12 rr_1j5m 1
4 "! 12" 15 3 15 11 rr_1j5m 1
5 "! 13" 18 3 18 11 rr_1j5m 1
6 "! 17" 21 3 21 11 rr_1j5m 1
7 "! 20" 24 3 24 11 rr_1j5m 1
8 "! 21" 27 3 27 11 rr_1j5m 1
9 "! 23" 30 3 30 12 rr_1j5m 1
10 "! 24" 33 3 33 12 rr_1j5m 1
11 "! 25" 36 3 36 12 rr_1j5m 1
12 "! 26" 39 3 39 12 rr_1j5m 1
13 "! 27" 42 3 42 12 rr_1j5m 1
14
;!chi restraints: minimum deviation = 30 degrees
!4
;
47 1 48 6 rr_1j5m 1
15 !7 51 3 51 6 rr_1j5m 1
16 !9 54 3 54 6 rr_1j5m 1
17 !11 57 3 57 7 rr_1j5m 1
18 !16 60 3 60 9 rr_1j5m 1
19 "!20 careful (60 deg ?)!!!" 63 3 63 29 rr_1j5m 1
20 !22 66 3 66 7 rr_1j5m 1
21 !24 69 3 69 7 rr_1j5m 1
22 !25 72 3 72 7 rr_1j5m 1
23 !27 75 3 75 7 rr_1j5m 1
24
;!metal chi2 cluster restraints
!9
;
80 1 82 6 rr_1j5m 1
25 !20 85 3 85 7 rr_1j5m 1
26 !22 88 3 88 7 rr_1j5m 1
27 !27 91 3 91 7 rr_1j5m 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 4 24 1 "Not handling restraint 24, resonance(s) ' .29.KR1' (nmrStar names) not linked" rr_1j5m 1
2 4 25 1 "Not handling restraint 25, resonance(s) ' .30.KR2' (nmrStar names) not linked" rr_1j5m 1
3 4 26 1 "Not handling restraint 26, resonance(s) ' .29.KR1' (nmrStar names) not linked" rr_1j5m 1
4 4 27 1 "Not handling restraint 27, resonance(s) ' .31.KR3' (nmrStar names) not linked" rr_1j5m 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_1j5m
_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 METAL BINDING PROTEIN 16-MAY-02 1J5M *TITLE SOLUTION STRUCTURE OF THE SYNTHETIC 113CD_3 BETA_N DOMAIN *TITLE 2 OF LOBSTER METALLOTHIONEIN-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: METALLOTHIONEIN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: BETA_N DOMAIN (RESIDUES 1-28); *COMPND 5 SYNONYM: CUMT-1; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE *SOURCE 4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMARUS *SOURCE 5 AMERICANUS (AMERICAN LOBSTER). *KEYWDS METALLOTHIONEIN, BETA-DOMAIN, METAL-SULFUR-CLUSTER, 2D-NMR, *KEYWDS 2 113CD-NMR, CONFORMATIONAL CHANGES, HN-S-HYDROGEN BONDS *EXPDTA NMR, MINIMIZED AVERAGE STUCTURE *AUTHOR A.MUNOZ, F.H.FORSTERLING, C.F.SHAW III, D.H.PETERING *REVDAT 1 22-MAY-02 1J5M 0 START_OF_NOE_DATA"
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1j5m
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment START_OF_TOR_DATA
save_
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