NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381590 |
1j5l   |
4754 | cing | 3-converted-DOCR | STAR | entry | full | 253 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1j5l
# This DOCR archive file contains, for PDB entry <1j5l>:
#
# - 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_1j5l
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1j5l"
_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 1j5l"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1j5l
_Assembly.ID 1
_Assembly.Name 1j5l
_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 3458.8465
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_1j5l 1
2 "CADMIUM ION" 2 $CADMIUM_ION B . no . . . . . . rr_1j5l 1
3 "CADMIUM ION" 2 $CADMIUM_ION C . no . . . . . . rr_1j5l 1
4 "CADMIUM ION" 2 $CADMIUM_ION D . no . . . . . . rr_1j5l 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Sf_framecode METALLOTHIONEIN_1
_Entity.Entry_ID rr_1j5l
_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
;PCEKCTSGCKCPSKDECAKT
CSKPCSCCPT
;
_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 30
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3121.6165
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_1j5l 1
2 . CYS . rr_1j5l 1
3 . GLU . rr_1j5l 1
4 . LYS . rr_1j5l 1
5 . CYS . rr_1j5l 1
6 . THR . rr_1j5l 1
7 . SER . rr_1j5l 1
8 . GLY . rr_1j5l 1
9 . CYS . rr_1j5l 1
10 . LYS . rr_1j5l 1
11 . CYS . rr_1j5l 1
12 . PRO . rr_1j5l 1
13 . SER . rr_1j5l 1
14 . LYS . rr_1j5l 1
15 . ASP . rr_1j5l 1
16 . GLU . rr_1j5l 1
17 . CYS . rr_1j5l 1
18 . ALA . rr_1j5l 1
19 . LYS . rr_1j5l 1
20 . THR . rr_1j5l 1
21 . CYS . rr_1j5l 1
22 . SER . rr_1j5l 1
23 . LYS . rr_1j5l 1
24 . PRO . rr_1j5l 1
25 . CYS . rr_1j5l 1
26 . SER . rr_1j5l 1
27 . CYS . rr_1j5l 1
28 . CYS . rr_1j5l 1
29 . PRO . rr_1j5l 1
30 . THR . rr_1j5l 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_1j5l 1
. CYS 2 2 rr_1j5l 1
. GLU 3 3 rr_1j5l 1
. LYS 4 4 rr_1j5l 1
. CYS 5 5 rr_1j5l 1
. THR 6 6 rr_1j5l 1
. SER 7 7 rr_1j5l 1
. GLY 8 8 rr_1j5l 1
. CYS 9 9 rr_1j5l 1
. LYS 10 10 rr_1j5l 1
. CYS 11 11 rr_1j5l 1
. PRO 12 12 rr_1j5l 1
. SER 13 13 rr_1j5l 1
. LYS 14 14 rr_1j5l 1
. ASP 15 15 rr_1j5l 1
. GLU 16 16 rr_1j5l 1
. CYS 17 17 rr_1j5l 1
. ALA 18 18 rr_1j5l 1
. LYS 19 19 rr_1j5l 1
. THR 20 20 rr_1j5l 1
. CYS 21 21 rr_1j5l 1
. SER 22 22 rr_1j5l 1
. LYS 23 23 rr_1j5l 1
. PRO 24 24 rr_1j5l 1
. CYS 25 25 rr_1j5l 1
. SER 26 26 rr_1j5l 1
. CYS 27 27 rr_1j5l 1
. CYS 28 28 rr_1j5l 1
. PRO 29 29 rr_1j5l 1
. THR 30 30 rr_1j5l 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Sf_framecode CADMIUM_ION
_Entity.Entry_ID rr_1j5l
_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_1j5l 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_1j5l
_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_1j5l
_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_1j5l
_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_1j5l 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_1j5l 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 19.552 4.769 -5.568 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_1j5l 1
. 1 . 2 . 1 1 1 PRO CA C 18.831 5.512 -4.440 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_1j5l 1
. 1 . 3 . 1 1 1 PRO CB C 17.373 5.769 -4.807 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_1j5l 1
. 1 . 4 . 1 1 1 PRO CD C 18.475 7.907 -4.748 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_1j5l 1
. 1 . 5 . 1 1 1 PRO CG C 17.366 7.133 -5.409 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_1j5l 1
. 1 . 6 . 1 1 1 PRO H3 H 20.295 6.937 -4.808 . . . 1.0 . . . . . . . . . . . . A . 2 PRO H3 . . . . . . . . . rr_1j5l 1
. 1 . 7 . 1 1 1 PRO HA H 18.889 4.956 -3.519 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_1j5l 1
. 1 . 8 . 1 1 1 PRO HB2 H 17.032 5.039 -5.525 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_1j5l 1
. 1 . 9 . 1 1 1 PRO HB3 H 16.754 5.746 -3.922 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_1j5l 1
. 1 . 10 . 1 1 1 PRO HD2 H 18.963 8.552 -5.464 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_1j5l 1
. 1 . 11 . 1 1 1 PRO HD3 H 18.092 8.482 -3.919 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_1j5l 1
. 1 . 12 . 1 1 1 PRO HG2 H 17.544 7.068 -6.472 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_1j5l 1
. 1 . 13 . 1 1 1 PRO HG3 H 16.418 7.615 -5.221 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_1j5l 1
. 1 . 14 . 1 1 1 PRO N N 19.407 6.873 -4.270 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_1j5l 1
. 1 . 15 . 1 1 1 PRO O O 19.563 5.204 -6.703 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_1j5l 1
. 1 . 16 . 1 1 2 CYS C C 19.904 2.057 -7.142 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 17 . 1 1 2 CYS CA C 20.882 2.894 -6.313 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 18 . 1 1 2 CYS CB C 21.875 2.000 -5.554 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 19 . 1 1 2 CYS H H 20.148 3.324 -4.354 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 20 . 1 1 2 CYS HA H 21.419 3.574 -6.943 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 21 . 1 1 2 CYS HB2 H 22.646 1.668 -6.232 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 22 . 1 1 2 CYS HB3 H 22.325 2.568 -4.753 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 23 . 1 1 2 CYS N N 20.160 3.654 -5.265 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 24 . 1 1 2 CYS O O 18.777 2.447 -7.378 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 25 . 1 1 2 CYS SG S 21.026 0.553 -4.861 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 26 . 1 1 3 GLU C C 18.103 -0.186 -7.712 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1j5l 1
. 1 . 27 . 1 1 3 GLU CA C 19.447 0.034 -8.401 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1j5l 1
. 1 . 28 . 1 1 3 GLU CB C 20.187 -1.300 -8.472 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1j5l 1
. 1 . 29 . 1 1 3 GLU CD C 19.079 -3.240 -9.592 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1j5l 1
. 1 . 30 . 1 1 3 GLU CG C 19.905 -1.971 -9.818 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1j5l 1
. 1 . 31 . 1 1 3 GLU H H 21.247 0.623 -7.380 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1j5l 1
. 1 . 32 . 1 1 3 GLU HA H 19.312 0.436 -9.392 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1j5l 1
. 1 . 33 . 1 1 3 GLU HB2 H 21.249 -1.130 -8.369 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1j5l 1
. 1 . 34 . 1 1 3 GLU HB3 H 19.841 -1.943 -7.665 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1j5l 1
. 1 . 35 . 1 1 3 GLU HG2 H 19.353 -1.291 -10.450 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1j5l 1
. 1 . 36 . 1 1 3 GLU HG3 H 20.839 -2.229 -10.294 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1j5l 1
. 1 . 37 . 1 1 3 GLU N N 20.333 0.911 -7.584 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1j5l 1
. 1 . 38 . 1 1 3 GLU O O 17.056 0.163 -8.220 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1j5l 1
. 1 . 39 . 1 1 3 GLU OE1 O 19.585 -4.145 -8.949 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1j5l 1
. 1 . 40 . 1 1 3 GLU OE2 O 17.956 -3.284 -10.066 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1j5l 1
. 1 . 41 . 1 1 4 LYS C C 16.552 -0.089 -4.784 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1j5l 1
. 1 . 42 . 1 1 4 LYS CA C 16.897 -1.143 -5.843 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1j5l 1
. 1 . 43 . 1 1 4 LYS CB C 17.244 -2.472 -5.196 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1j5l 1
. 1 . 44 . 1 1 4 LYS CD C 16.431 -4.824 -4.991 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1j5l 1
. 1 . 45 . 1 1 4 LYS CE C 15.654 -4.496 -3.714 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1j5l 1
. 1 . 46 . 1 1 4 LYS CG C 16.473 -3.589 -5.893 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1j5l 1
. 1 . 47 . 1 1 4 LYS H H 18.999 -1.117 -6.223 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1j5l 1
. 1 . 48 . 1 1 4 LYS HA H 16.077 -1.279 -6.522 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1j5l 1
. 1 . 49 . 1 1 4 LYS HB2 H 18.309 -2.648 -5.309 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 50 . 1 1 4 LYS HB3 H 16.986 -2.445 -4.151 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 51 . 1 1 4 LYS HD2 H 15.942 -5.634 -5.512 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1j5l 1
. 1 . 52 . 1 1 4 LYS HD3 H 17.438 -5.117 -4.734 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1j5l 1
. 1 . 53 . 1 1 4 LYS HE2 H 16.253 -3.885 -3.056 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1j5l 1
. 1 . 54 . 1 1 4 LYS HE3 H 14.728 -3.995 -3.956 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1j5l 1
. 1 . 55 . 1 1 4 LYS HG2 H 15.466 -3.257 -6.099 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1j5l 1
. 1 . 56 . 1 1 4 LYS HG3 H 16.968 -3.836 -6.821 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1j5l 1
. 1 . 57 . 1 1 4 LYS HZ1 H 16.209 -6.125 -2.541 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1j5l 1
. 1 . 58 . 1 1 4 LYS HZ2 H 15.172 -6.519 -3.827 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1j5l 1
. 1 . 59 . 1 1 4 LYS HZ3 H 14.561 -5.737 -2.448 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1j5l 1
. 1 . 60 . 1 1 4 LYS N N 18.141 -0.817 -6.579 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1j5l 1
. 1 . 61 . 1 1 4 LYS NZ N 15.378 -5.819 -3.085 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1j5l 1
. 1 . 62 . 1 1 4 LYS O O 16.146 -0.418 -3.687 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1j5l 1
. 1 . 63 . 1 1 5 CYS C C 15.579 3.376 -4.745 . . . 1.0 . . . . . . . . . . . . A . 6 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 64 . 1 1 5 CYS CA C 16.333 2.218 -4.089 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 65 . 1 1 5 CYS CB C 17.661 2.694 -3.501 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 66 . 1 1 5 CYS H H 17.003 1.427 -5.989 . . . 1.0 . . . . . . . . . . . . A . 6 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 67 . 1 1 5 CYS HA H 15.723 1.784 -3.311 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 68 . 1 1 5 CYS HB2 H 18.426 2.658 -4.262 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 69 . 1 1 5 CYS HB3 H 17.555 3.707 -3.141 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 70 . 1 1 5 CYS N N 16.685 1.171 -5.098 . . . 1.0 . . . . . . . . . . . . A . 6 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 71 . 1 1 5 CYS O O 15.211 4.331 -4.091 . . . 1.0 . . . . . . . . . . . . A . 6 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 72 . 1 1 5 CYS SG S 18.117 1.608 -2.129 . . . 1.0 . . . . . . . . . . . . A . 6 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 73 . 1 1 6 THR C C 13.076 4.228 -6.373 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1j5l 1
. 1 . 74 . 1 1 6 THR CA C 14.565 4.392 -6.686 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1j5l 1
. 1 . 75 . 1 1 6 THR CB C 14.828 4.209 -8.182 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1j5l 1
. 1 . 76 . 1 1 6 THR CG2 C 16.335 4.182 -8.438 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1j5l 1
. 1 . 77 . 1 1 6 THR H H 15.606 2.512 -6.533 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1j5l 1
. 1 . 78 . 1 1 6 THR HA H 14.921 5.356 -6.358 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1j5l 1
. 1 . 79 . 1 1 6 THR HB H 14.389 5.030 -8.728 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1j5l 1
. 1 . 80 . 1 1 6 THR HG1 H 14.203 2.395 -7.861 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1j5l 1
. 1 . 81 . 1 1 6 THR HG21 H 16.679 3.158 -8.451 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1j5l 1
. 1 . 82 . 1 1 6 THR HG22 H 16.843 4.723 -7.654 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1j5l 1
. 1 . 83 . 1 1 6 THR HG23 H 16.547 4.645 -9.391 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1j5l 1
. 1 . 84 . 1 1 6 THR N N 15.322 3.296 -6.020 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1j5l 1
. 1 . 85 . 1 1 6 THR O O 12.246 4.171 -7.258 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1j5l 1
. 1 . 86 . 1 1 6 THR OG1 O 14.249 2.986 -8.616 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1j5l 1
. 1 . 87 . 1 1 7 SER C C 11.207 3.700 -3.223 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1j5l 1
. 1 . 88 . 1 1 7 SER CA C 11.313 3.947 -4.731 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1j5l 1
. 1 . 89 . 1 1 7 SER CB C 10.874 2.704 -5.501 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1j5l 1
. 1 . 90 . 1 1 7 SER H H 13.428 4.168 -4.420 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1j5l 1
. 1 . 91 . 1 1 7 SER HA H 10.721 4.799 -5.026 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1j5l 1
. 1 . 92 . 1 1 7 SER HB2 H 10.689 2.964 -6.532 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1j5l 1
. 1 . 93 . 1 1 7 SER HB3 H 11.658 1.959 -5.449 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1j5l 1
. 1 . 94 . 1 1 7 SER HG H 9.189 1.739 -5.614 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1j5l 1
. 1 . 95 . 1 1 7 SER N N 12.739 4.132 -5.114 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1j5l 1
. 1 . 96 . 1 1 7 SER O O 11.012 4.610 -2.443 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1j5l 1
. 1 . 97 . 1 1 7 SER OG O 9.686 2.183 -4.923 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1j5l 1
. 1 . 98 . 1 1 8 GLY C C 12.291 1.057 -1.042 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_1j5l 1
. 1 . 99 . 1 1 8 GLY CA C 11.260 2.141 -1.362 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_1j5l 1
. 1 . 100 . 1 1 8 GLY H H 11.504 1.752 -3.463 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_1j5l 1
. 1 . 101 . 1 1 8 GLY HA2 H 11.472 3.026 -0.779 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_1j5l 1
. 1 . 102 . 1 1 8 GLY HA3 H 10.270 1.781 -1.126 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_1j5l 1
. 1 . 103 . 1 1 8 GLY N N 11.342 2.467 -2.813 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_1j5l 1
. 1 . 104 . 1 1 8 GLY O O 12.383 0.057 -1.727 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_1j5l 1
. 1 . 105 . 1 1 9 CYS C C 13.992 -0.195 1.789 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 106 . 1 1 9 CYS CA C 14.105 0.223 0.325 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 107 . 1 1 9 CYS CB C 15.444 0.913 0.071 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 108 . 1 1 9 CYS H H 12.994 2.062 0.520 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 109 . 1 1 9 CYS HA H 14.011 -0.638 -0.316 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 110 . 1 1 9 CYS HB2 H 16.241 0.312 0.484 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 111 . 1 1 9 CYS HB3 H 15.594 1.024 -0.993 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 112 . 1 1 9 CYS N N 13.075 1.246 -0.018 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 113 . 1 1 9 CYS O O 13.711 0.607 2.658 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 114 . 1 1 9 CYS SG S 15.453 2.546 0.856 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 115 . 1 1 10 LYS C C 15.441 -1.545 4.203 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1j5l 1
. 1 . 116 . 1 1 10 LYS CA C 14.151 -1.921 3.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1j5l 1
. 1 . 117 . 1 1 10 LYS CB C 14.008 -3.440 3.380 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1j5l 1
. 1 . 118 . 1 1 10 LYS CD C 12.107 -5.049 3.579 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1j5l 1
. 1 . 119 . 1 1 10 LYS CE C 10.757 -4.761 4.239 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1j5l 1
. 1 . 120 . 1 1 10 LYS CG C 12.608 -3.789 2.871 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1j5l 1
. 1 . 121 . 1 1 10 LYS H H 14.461 -2.073 1.353 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1j5l 1
. 1 . 122 . 1 1 10 LYS HA H 13.294 -1.496 3.976 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1j5l 1
. 1 . 123 . 1 1 10 LYS HB2 H 14.747 -3.828 2.695 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 124 . 1 1 10 LYS HB3 H 14.156 -3.878 4.356 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 125 . 1 1 10 LYS HD2 H 11.994 -5.846 2.859 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1j5l 1
. 1 . 126 . 1 1 10 LYS HD3 H 12.821 -5.345 4.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1j5l 1
. 1 . 127 . 1 1 10 LYS HE2 H 10.350 -5.664 4.671 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1j5l 1
. 1 . 128 . 1 1 10 LYS HE3 H 10.863 -3.997 4.994 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1j5l 1
. 1 . 129 . 1 1 10 LYS HG2 H 11.935 -2.970 3.076 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1j5l 1
. 1 . 130 . 1 1 10 LYS HG3 H 12.646 -3.966 1.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1j5l 1
. 1 . 131 . 1 1 10 LYS HZ1 H 10.197 -4.703 2.234 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1j5l 1
. 1 . 132 . 1 1 10 LYS HZ2 H 9.952 -3.242 3.065 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1j5l 1
. 1 . 133 . 1 1 10 LYS HZ3 H 8.901 -4.552 3.318 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1j5l 1
. 1 . 134 . 1 1 10 LYS N N 14.226 -1.447 2.069 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1j5l 1
. 1 . 135 . 1 1 10 LYS NZ N 9.886 -4.278 3.130 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1j5l 1
. 1 . 136 . 1 1 10 LYS O O 15.421 -0.805 5.165 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1j5l 1
. 1 . 137 . 1 1 11 CYS C C 17.712 -1.511 5.869 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 138 . 1 1 11 CYS CA C 17.878 -1.709 4.359 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 139 . 1 1 11 CYS CB C 18.316 -0.420 3.653 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 140 . 1 1 11 CYS H H 16.534 -2.615 2.934 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 141 . 1 1 11 CYS HA H 18.595 -2.493 4.164 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 142 . 1 1 11 CYS HB2 H 17.541 0.326 3.754 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 143 . 1 1 11 CYS HB3 H 19.239 -0.046 4.079 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 144 . 1 1 11 CYS N N 16.561 -2.037 3.726 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 145 . 1 1 11 CYS O O 17.392 -0.436 6.324 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 146 . 1 1 11 CYS SG S 18.562 -0.805 1.899 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 147 . 1 1 12 PRO C C 18.951 -1.779 8.701 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . rr_1j5l 1
. 1 . 148 . 1 1 12 PRO CA C 17.781 -2.536 8.070 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . rr_1j5l 1
. 1 . 149 . 1 1 12 PRO CB C 17.808 -4.007 8.472 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . rr_1j5l 1
. 1 . 150 . 1 1 12 PRO CD C 18.304 -3.908 6.109 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . rr_1j5l 1
. 1 . 151 . 1 1 12 PRO CG C 18.549 -4.696 7.370 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . rr_1j5l 1
. 1 . 152 . 1 1 12 PRO HA H 16.841 -2.092 8.353 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . rr_1j5l 1
. 1 . 153 . 1 1 12 PRO HB2 H 18.329 -4.130 9.410 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . rr_1j5l 1
. 1 . 154 . 1 1 12 PRO HB3 H 16.802 -4.394 8.547 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . rr_1j5l 1
. 1 . 155 . 1 1 12 PRO HD2 H 19.205 -3.851 5.517 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . rr_1j5l 1
. 1 . 156 . 1 1 12 PRO HD3 H 17.500 -4.348 5.538 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . rr_1j5l 1
. 1 . 157 . 1 1 12 PRO HG2 H 19.606 -4.715 7.593 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . rr_1j5l 1
. 1 . 158 . 1 1 12 PRO HG3 H 18.180 -5.704 7.252 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . rr_1j5l 1
. 1 . 159 . 1 1 12 PRO N N 17.921 -2.576 6.593 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . rr_1j5l 1
. 1 . 160 . 1 1 12 PRO O O 18.771 -0.954 9.576 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . rr_1j5l 1
. 1 . 161 . 1 1 13 SER C C 22.471 -1.313 7.828 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . rr_1j5l 1
. 1 . 162 . 1 1 13 SER CA C 21.329 -1.349 8.845 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . rr_1j5l 1
. 1 . 163 . 1 1 13 SER CB C 21.725 -2.177 10.068 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . rr_1j5l 1
. 1 . 164 . 1 1 13 SER H H 20.274 -2.721 7.561 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . rr_1j5l 1
. 1 . 165 . 1 1 13 SER HA H 21.061 -0.349 9.147 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . rr_1j5l 1
. 1 . 166 . 1 1 13 SER HB2 H 22.469 -2.906 9.783 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . rr_1j5l 1
. 1 . 167 . 1 1 13 SER HB3 H 22.131 -1.525 10.827 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . rr_1j5l 1
. 1 . 168 . 1 1 13 SER HG H 20.068 -2.208 11.085 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . rr_1j5l 1
. 1 . 169 . 1 1 13 SER N N 20.150 -2.053 8.267 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . rr_1j5l 1
. 1 . 170 . 1 1 13 SER O O 22.943 -0.260 7.448 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . rr_1j5l 1
. 1 . 171 . 1 1 13 SER OG O 20.580 -2.843 10.579 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . rr_1j5l 1
. 1 . 172 . 1 1 14 LYS C C 24.125 -3.850 5.716 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_1j5l 1
. 1 . 173 . 1 1 14 LYS CA C 24.029 -2.476 6.388 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_1j5l 1
. 1 . 174 . 1 1 14 LYS CB C 25.292 -2.188 7.200 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_1j5l 1
. 1 . 175 . 1 1 14 LYS CD C 26.969 -0.367 7.533 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . rr_1j5l 1
. 1 . 176 . 1 1 14 LYS CE C 27.414 0.701 6.532 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . rr_1j5l 1
. 1 . 177 . 1 1 14 LYS CG C 25.485 -0.676 7.325 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . rr_1j5l 1
. 1 . 178 . 1 1 14 LYS H H 22.525 -3.295 7.697 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_1j5l 1
. 1 . 179 . 1 1 14 LYS HA H 23.883 -1.705 5.650 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_1j5l 1
. 1 . 180 . 1 1 14 LYS HB2 H 25.193 -2.621 8.184 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 181 . 1 1 14 LYS HB3 H 26.147 -2.620 6.701 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 182 . 1 1 14 LYS HD2 H 27.124 -0.004 8.539 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . rr_1j5l 1
. 1 . 183 . 1 1 14 LYS HD3 H 27.549 -1.266 7.383 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . rr_1j5l 1
. 1 . 184 . 1 1 14 LYS HE2 H 26.999 0.496 5.556 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . rr_1j5l 1
. 1 . 185 . 1 1 14 LYS HE3 H 27.115 1.681 6.870 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . rr_1j5l 1
. 1 . 186 . 1 1 14 LYS HG2 H 25.141 -0.193 6.422 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . rr_1j5l 1
. 1 . 187 . 1 1 14 LYS HG3 H 24.919 -0.309 8.168 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . rr_1j5l 1
. 1 . 188 . 1 1 14 LYS HZ1 H 29.179 -0.163 5.842 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . rr_1j5l 1
. 1 . 189 . 1 1 14 LYS HZ2 H 29.255 0.379 7.451 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . rr_1j5l 1
. 1 . 190 . 1 1 14 LYS HZ3 H 29.304 1.496 6.171 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . rr_1j5l 1
. 1 . 191 . 1 1 14 LYS N N 22.919 -2.455 7.381 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_1j5l 1
. 1 . 192 . 1 1 14 LYS NZ N 28.900 0.595 6.496 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . rr_1j5l 1
. 1 . 193 . 1 1 14 LYS O O 24.291 -3.954 4.517 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_1j5l 1
. 1 . 194 . 1 1 15 ASP C C 23.330 -6.340 4.574 . . . 1.0 . . . . . . . . . . . . A . 16 ASP C . . . . . . . . . rr_1j5l 1
. 1 . 195 . 1 1 15 ASP CA C 24.120 -6.269 5.885 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CA . . . . . . . . . rr_1j5l 1
. 1 . 196 . 1 1 15 ASP CB C 23.504 -7.198 6.932 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CB . . . . . . . . . rr_1j5l 1
. 1 . 197 . 1 1 15 ASP CG C 23.881 -8.646 6.614 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CG . . . . . . . . . rr_1j5l 1
. 1 . 198 . 1 1 15 ASP H H 23.899 -4.798 7.445 . . . 1.0 . . . . . . . . . . . . A . 16 ASP H . . . . . . . . . rr_1j5l 1
. 1 . 199 . 1 1 15 ASP HA H 25.151 -6.537 5.718 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HA . . . . . . . . . rr_1j5l 1
. 1 . 200 . 1 1 15 ASP HB2 H 23.877 -6.935 7.911 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB2 . . . . . . . . . rr_1j5l 1
. 1 . 201 . 1 1 15 ASP HB3 H 22.429 -7.094 6.917 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB3 . . . . . . . . . rr_1j5l 1
. 1 . 202 . 1 1 15 ASP N N 24.028 -4.903 6.480 . . . 1.0 . . . . . . . . . . . . A . 16 ASP N . . . . . . . . . rr_1j5l 1
. 1 . 203 . 1 1 15 ASP O O 23.763 -6.940 3.611 . . . 1.0 . . . . . . . . . . . . A . 16 ASP O . . . . . . . . . rr_1j5l 1
. 1 . 204 . 1 1 15 ASP OD1 O 25.028 -9.001 6.835 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD1 . . . . . . . . . rr_1j5l 1
. 1 . 205 . 1 1 15 ASP OD2 O 23.018 -9.376 6.156 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD2 . . . . . . . . . rr_1j5l 1
. 1 . 206 . 1 1 16 GLU C C 21.493 -4.447 2.544 . . . 1.0 . . . . . . . . . . . . A . 17 GLU C . . . . . . . . . rr_1j5l 1
. 1 . 207 . 1 1 16 GLU CA C 21.359 -5.771 3.281 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CA . . . . . . . . . rr_1j5l 1
. 1 . 208 . 1 1 16 GLU CB C 19.909 -5.981 3.732 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CB . . . . . . . . . rr_1j5l 1
. 1 . 209 . 1 1 16 GLU CD C 20.301 -8.319 4.524 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CD . . . . . . . . . rr_1j5l 1
. 1 . 210 . 1 1 16 GLU CG C 19.869 -6.912 4.945 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CG . . . . . . . . . rr_1j5l 1
. 1 . 211 . 1 1 16 GLU H H 21.843 -5.256 5.319 . . . 1.0 . . . . . . . . . . . . A . 17 GLU H . . . . . . . . . rr_1j5l 1
. 1 . 212 . 1 1 16 GLU HA H 21.671 -6.578 2.654 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HA . . . . . . . . . rr_1j5l 1
. 1 . 213 . 1 1 16 GLU HB2 H 19.475 -5.029 3.998 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB2 . . . . . . . . . rr_1j5l 1
. 1 . 214 . 1 1 16 GLU HB3 H 19.343 -6.420 2.924 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB3 . . . . . . . . . rr_1j5l 1
. 1 . 215 . 1 1 16 GLU HG2 H 20.543 -6.539 5.701 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG2 . . . . . . . . . rr_1j5l 1
. 1 . 216 . 1 1 16 GLU HG3 H 18.865 -6.946 5.341 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG3 . . . . . . . . . rr_1j5l 1
. 1 . 217 . 1 1 16 GLU N N 22.176 -5.734 4.531 . . . 1.0 . . . . . . . . . . . . A . 17 GLU N . . . . . . . . . rr_1j5l 1
. 1 . 218 . 1 1 16 GLU O O 21.218 -4.339 1.366 . . . 1.0 . . . . . . . . . . . . A . 17 GLU O . . . . . . . . . rr_1j5l 1
. 1 . 219 . 1 1 16 GLU OE1 O 21.496 -8.551 4.443 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE1 . . . . . . . . . rr_1j5l 1
. 1 . 220 . 1 1 16 GLU OE2 O 19.429 -9.139 4.291 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE2 . . . . . . . . . rr_1j5l 1
. 1 . 221 . 1 1 17 CYS C C 23.460 -1.916 2.049 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 222 . 1 1 17 CYS CA C 22.050 -2.101 2.619 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 223 . 1 1 17 CYS CB C 21.785 -1.146 3.774 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 224 . 1 1 17 CYS H H 22.102 -3.558 4.197 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 225 . 1 1 17 CYS HA H 21.312 -1.963 1.846 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 226 . 1 1 17 CYS HB2 H 20.735 -1.176 4.018 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 227 . 1 1 17 CYS HB3 H 22.358 -1.460 4.633 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 228 . 1 1 17 CYS N N 21.902 -3.439 3.244 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 229 . 1 1 17 CYS O O 23.662 -1.962 0.851 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 230 . 1 1 17 CYS SG S 22.260 0.536 3.313 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 231 . 1 1 18 ALA C C 26.120 -2.544 1.279 . . . 1.0 . . . . . . . . . . . . A . 19 ALA C . . . . . . . . . rr_1j5l 1
. 1 . 232 . 1 1 18 ALA CA C 25.829 -1.527 2.385 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CA . . . . . . . . . rr_1j5l 1
. 1 . 233 . 1 1 18 ALA CB C 26.727 -1.779 3.596 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CB . . . . . . . . . rr_1j5l 1
. 1 . 234 . 1 1 18 ALA H H 24.256 -1.677 3.851 . . . 1.0 . . . . . . . . . . . . A . 19 ALA H . . . . . . . . . rr_1j5l 1
. 1 . 235 . 1 1 18 ALA HA H 25.970 -0.521 2.022 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HA . . . . . . . . . rr_1j5l 1
. 1 . 236 . 1 1 18 ALA HB1 H 26.588 -0.987 4.318 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB1 . . . . . . . . . rr_1j5l 1
. 1 . 237 . 1 1 18 ALA HB2 H 26.466 -2.726 4.046 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB2 . . . . . . . . . rr_1j5l 1
. 1 . 238 . 1 1 18 ALA HB3 H 27.759 -1.802 3.281 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB3 . . . . . . . . . rr_1j5l 1
. 1 . 239 . 1 1 18 ALA N N 24.437 -1.710 2.890 . . . 1.0 . . . . . . . . . . . . A . 19 ALA N . . . . . . . . . rr_1j5l 1
. 1 . 240 . 1 1 18 ALA O O 26.938 -2.319 0.409 . . . 1.0 . . . . . . . . . . . . A . 19 ALA O . . . . . . . . . rr_1j5l 1
. 1 . 241 . 1 1 19 LYS C C 25.148 -4.216 -1.087 . . . 1.0 . . . . . . . . . . . . A . 20 LYS C . . . . . . . . . rr_1j5l 1
. 1 . 242 . 1 1 19 LYS CA C 25.666 -4.702 0.270 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CA . . . . . . . . . rr_1j5l 1
. 1 . 243 . 1 1 19 LYS CB C 24.839 -5.886 0.760 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CB . . . . . . . . . rr_1j5l 1
. 1 . 244 . 1 1 19 LYS CD C 25.196 -8.339 1.068 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CD . . . . . . . . . rr_1j5l 1
. 1 . 245 . 1 1 19 LYS CE C 26.324 -9.371 1.121 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CE . . . . . . . . . rr_1j5l 1
. 1 . 246 . 1 1 19 LYS CG C 25.764 -6.948 1.357 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CG . . . . . . . . . rr_1j5l 1
. 1 . 247 . 1 1 19 LYS H H 24.793 -3.820 2.017 . . . 1.0 . . . . . . . . . . . . A . 20 LYS H . . . . . . . . . rr_1j5l 1
. 1 . 248 . 1 1 19 LYS HA H 26.707 -4.974 0.210 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HA . . . . . . . . . rr_1j5l 1
. 1 . 249 . 1 1 19 LYS HB2 H 24.141 -5.546 1.514 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 250 . 1 1 19 LYS HB3 H 24.292 -6.306 -0.067 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 251 . 1 1 19 LYS HD2 H 24.449 -8.583 1.808 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD2 . . . . . . . . . rr_1j5l 1
. 1 . 252 . 1 1 19 LYS HD3 H 24.747 -8.347 0.086 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD3 . . . . . . . . . rr_1j5l 1
. 1 . 253 . 1 1 19 LYS HE2 H 27.263 -8.890 1.350 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE2 . . . . . . . . . rr_1j5l 1
. 1 . 254 . 1 1 19 LYS HE3 H 26.102 -10.133 1.855 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE3 . . . . . . . . . rr_1j5l 1
. 1 . 255 . 1 1 19 LYS HG2 H 26.745 -6.861 0.914 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG2 . . . . . . . . . rr_1j5l 1
. 1 . 256 . 1 1 19 LYS HG3 H 25.836 -6.803 2.424 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG3 . . . . . . . . . rr_1j5l 1
. 1 . 257 . 1 1 19 LYS HZ1 H 25.395 -10.065 -0.608 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ1 . . . . . . . . . rr_1j5l 1
. 1 . 258 . 1 1 19 LYS HZ2 H 26.820 -10.898 -0.204 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ2 . . . . . . . . . rr_1j5l 1
. 1 . 259 . 1 1 19 LYS HZ3 H 26.905 -9.341 -0.878 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ3 . . . . . . . . . rr_1j5l 1
. 1 . 260 . 1 1 19 LYS N N 25.448 -3.661 1.308 . . . 1.0 . . . . . . . . . . . . A . 20 LYS N . . . . . . . . . rr_1j5l 1
. 1 . 261 . 1 1 19 LYS NZ N 26.364 -9.964 -0.245 . . . 1.0 . . . . . . . . . . . . A . 20 LYS NZ . . . . . . . . . rr_1j5l 1
. 1 . 262 . 1 1 19 LYS O O 25.813 -4.328 -2.098 . . . 1.0 . . . . . . . . . . . . A . 20 LYS O . . . . . . . . . rr_1j5l 1
. 1 . 263 . 1 1 20 THR C C 23.574 -1.685 -2.523 . . . 1.0 . . . . . . . . . . . . A . 21 THR C . . . . . . . . . rr_1j5l 1
. 1 . 264 . 1 1 20 THR CA C 23.370 -3.198 -2.391 . . . 1.0 . . . . . . . . . . . . A . 21 THR CA . . . . . . . . . rr_1j5l 1
. 1 . 265 . 1 1 20 THR CB C 21.880 -3.540 -2.270 . . . 1.0 . . . . . . . . . . . . A . 21 THR CB . . . . . . . . . rr_1j5l 1
. 1 . 266 . 1 1 20 THR CG2 C 21.041 -2.600 -3.142 . . . 1.0 . . . . . . . . . . . . A . 21 THR CG2 . . . . . . . . . rr_1j5l 1
. 1 . 267 . 1 1 20 THR H H 23.440 -3.616 -0.281 . . . 1.0 . . . . . . . . . . . . A . 21 THR H . . . . . . . . . rr_1j5l 1
. 1 . 268 . 1 1 20 THR HA H 23.803 -3.716 -3.232 . . . 1.0 . . . . . . . . . . . . A . 21 THR HA . . . . . . . . . rr_1j5l 1
. 1 . 269 . 1 1 20 THR HB H 21.577 -3.429 -1.240 . . . 1.0 . . . . . . . . . . . . A . 21 THR HB . . . . . . . . . rr_1j5l 1
. 1 . 270 . 1 1 20 THR HG1 H 20.894 -5.215 -2.229 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG1 . . . . . . . . . rr_1j5l 1
. 1 . 271 . 1 1 20 THR HG21 H 20.093 -3.068 -3.368 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG21 . . . . . . . . . rr_1j5l 1
. 1 . 272 . 1 1 20 THR HG22 H 21.569 -2.393 -4.061 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG22 . . . . . . . . . rr_1j5l 1
. 1 . 273 . 1 1 20 THR HG23 H 20.868 -1.676 -2.609 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG23 . . . . . . . . . rr_1j5l 1
. 1 . 274 . 1 1 20 THR N N 23.957 -3.687 -1.110 . . . 1.0 . . . . . . . . . . . . A . 21 THR N . . . . . . . . . rr_1j5l 1
. 1 . 275 . 1 1 20 THR O O 23.337 -1.105 -3.564 . . . 1.0 . . . . . . . . . . . . A . 21 THR O . . . . . . . . . rr_1j5l 1
. 1 . 276 . 1 1 20 THR OG1 O 21.671 -4.882 -2.683 . . . 1.0 . . . . . . . . . . . . A . 21 THR OG1 . . . . . . . . . rr_1j5l 1
. 1 . 277 . 1 1 21 CYS C C 25.590 0.817 -1.093 . . . 1.0 . . . . . . . . . . . . A . 22 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 278 . 1 1 21 CYS CA C 24.181 0.439 -1.530 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 279 . 1 1 21 CYS CB C 23.143 1.020 -0.566 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 280 . 1 1 21 CYS H H 24.155 -1.526 -0.635 . . . 1.0 . . . . . . . . . . . . A . 22 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 281 . 1 1 21 CYS HA H 23.989 0.808 -2.522 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 282 . 1 1 21 CYS HB2 H 23.501 0.936 0.449 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 283 . 1 1 21 CYS HB3 H 22.976 2.061 -0.802 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 284 . 1 1 21 CYS N N 23.988 -1.041 -1.470 . . . 1.0 . . . . . . . . . . . . A . 22 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 285 . 1 1 21 CYS O O 25.850 1.039 0.073 . . . 1.0 . . . . . . . . . . . . A . 22 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 286 . 1 1 21 CYS SG S 21.592 0.105 -0.754 . . . 1.0 . . . . . . . . . . . . A . 22 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 287 . 1 1 22 SER C C 27.921 2.831 -1.439 . . . 1.0 . . . . . . . . . . . . A . 23 SER C . . . . . . . . . rr_1j5l 1
. 1 . 288 . 1 1 22 SER CA C 27.887 1.320 -1.655 . . . 1.0 . . . . . . . . . . . . A . 23 SER CA . . . . . . . . . rr_1j5l 1
. 1 . 289 . 1 1 22 SER CB C 28.748 0.933 -2.856 . . . 1.0 . . . . . . . . . . . . A . 23 SER CB . . . . . . . . . rr_1j5l 1
. 1 . 290 . 1 1 22 SER H H 26.267 0.760 -2.959 . . . 1.0 . . . . . . . . . . . . A . 23 SER H . . . . . . . . . rr_1j5l 1
. 1 . 291 . 1 1 22 SER HA H 28.211 0.797 -0.772 . . . 1.0 . . . . . . . . . . . . A . 23 SER HA . . . . . . . . . rr_1j5l 1
. 1 . 292 . 1 1 22 SER HB2 H 28.271 0.131 -3.399 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB2 . . . . . . . . . rr_1j5l 1
. 1 . 293 . 1 1 22 SER HB3 H 28.862 1.791 -3.505 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB3 . . . . . . . . . rr_1j5l 1
. 1 . 294 . 1 1 22 SER HG H 30.453 0.038 -3.126 . . . 1.0 . . . . . . . . . . . . A . 23 SER HG . . . . . . . . . rr_1j5l 1
. 1 . 295 . 1 1 22 SER N N 26.500 0.922 -2.021 . . . 1.0 . . . . . . . . . . . . A . 23 SER N . . . . . . . . . rr_1j5l 1
. 1 . 296 . 1 1 22 SER O O 28.742 3.532 -1.993 . . . 1.0 . . . . . . . . . . . . A . 23 SER O . . . . . . . . . rr_1j5l 1
. 1 . 297 . 1 1 22 SER OG O 30.026 0.506 -2.406 . . . 1.0 . . . . . . . . . . . . A . 23 SER OG . . . . . . . . . rr_1j5l 1
. 1 . 298 . 1 1 23 LYS C C 25.732 5.097 0.456 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . rr_1j5l 1
. 1 . 299 . 1 1 23 LYS CA C 26.944 4.794 -0.417 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . rr_1j5l 1
. 1 . 300 . 1 1 23 LYS CB C 26.766 5.389 -1.804 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . rr_1j5l 1
. 1 . 301 . 1 1 23 LYS CD C 28.398 5.498 -3.695 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . rr_1j5l 1
. 1 . 302 . 1 1 23 LYS CE C 27.553 6.274 -4.707 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . rr_1j5l 1
. 1 . 303 . 1 1 23 LYS CG C 28.086 5.998 -2.281 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . rr_1j5l 1
. 1 . 304 . 1 1 23 LYS H H 26.353 2.750 -0.235 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . rr_1j5l 1
. 1 . 305 . 1 1 23 LYS HA H 27.846 5.160 0.029 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . rr_1j5l 1
. 1 . 306 . 1 1 23 LYS HB2 H 26.472 4.605 -2.475 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 307 . 1 1 23 LYS HB3 H 26.001 6.151 -1.778 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 308 . 1 1 23 LYS HD2 H 29.445 5.651 -3.908 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . rr_1j5l 1
. 1 . 309 . 1 1 23 LYS HD3 H 28.167 4.443 -3.766 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . rr_1j5l 1
. 1 . 310 . 1 1 23 LYS HE2 H 26.502 6.121 -4.515 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . rr_1j5l 1
. 1 . 311 . 1 1 23 LYS HE3 H 27.794 7.326 -4.670 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . rr_1j5l 1
. 1 . 312 . 1 1 23 LYS HG2 H 28.003 7.074 -2.290 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . rr_1j5l 1
. 1 . 313 . 1 1 23 LYS HG3 H 28.881 5.703 -1.611 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . rr_1j5l 1
. 1 . 314 . 1 1 23 LYS HZ1 H 27.845 4.668 -6.000 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . rr_1j5l 1
. 1 . 315 . 1 1 23 LYS HZ2 H 28.908 5.968 -6.259 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . rr_1j5l 1
. 1 . 316 . 1 1 23 LYS HZ3 H 27.289 6.077 -6.763 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . rr_1j5l 1
. 1 . 317 . 1 1 23 LYS N N 27.011 3.334 -0.656 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . rr_1j5l 1
. 1 . 318 . 1 1 23 LYS NZ N 27.927 5.703 -6.033 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . rr_1j5l 1
. 1 . 319 . 1 1 23 LYS O O 25.001 4.204 0.835 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . rr_1j5l 1
. 1 . 320 . 1 1 24 PRO C C 23.155 6.922 0.724 . . . 1.0 . . . . . . . . . . . . A . 25 PRO C . . . . . . . . . rr_1j5l 1
. 1 . 321 . 1 1 24 PRO CA C 24.420 6.772 1.576 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CA . . . . . . . . . rr_1j5l 1
. 1 . 322 . 1 1 24 PRO CB C 24.876 8.118 2.127 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CB . . . . . . . . . rr_1j5l 1
. 1 . 323 . 1 1 24 PRO CD C 26.394 7.471 0.329 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CD . . . . . . . . . rr_1j5l 1
. 1 . 324 . 1 1 24 PRO CG C 25.889 8.635 1.144 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CG . . . . . . . . . rr_1j5l 1
. 1 . 325 . 1 1 24 PRO HA H 24.257 6.076 2.383 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HA . . . . . . . . . rr_1j5l 1
. 1 . 326 . 1 1 24 PRO HB2 H 24.040 8.797 2.193 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HB2 . . . . . . . . . rr_1j5l 1
. 1 . 327 . 1 1 24 PRO HB3 H 25.331 7.988 3.098 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HB3 . . . . . . . . . rr_1j5l 1
. 1 . 328 . 1 1 24 PRO HD2 H 26.269 7.667 -0.725 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HD2 . . . . . . . . . rr_1j5l 1
. 1 . 329 . 1 1 24 PRO HD3 H 27.431 7.272 0.556 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HD3 . . . . . . . . . rr_1j5l 1
. 1 . 330 . 1 1 24 PRO HG2 H 25.429 9.362 0.493 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HG2 . . . . . . . . . rr_1j5l 1
. 1 . 331 . 1 1 24 PRO HG3 H 26.713 9.086 1.674 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HG3 . . . . . . . . . rr_1j5l 1
. 1 . 332 . 1 1 24 PRO N N 25.556 6.347 0.744 . . . 1.0 . . . . . . . . . . . . A . 25 PRO N . . . . . . . . . rr_1j5l 1
. 1 . 333 . 1 1 24 PRO O O 22.569 7.984 0.656 . . . 1.0 . . . . . . . . . . . . A . 25 PRO O . . . . . . . . . rr_1j5l 1
. 1 . 334 . 1 1 25 CYS C C 20.424 6.775 -0.016 . . . 1.0 . . . . . . . . . . . . A . 26 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 335 . 1 1 25 CYS CA C 21.487 5.960 -0.755 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 336 . 1 1 25 CYS CB C 21.027 4.511 -0.980 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 337 . 1 1 25 CYS H H 23.204 5.014 0.150 . . . 1.0 . . . . . . . . . . . . A . 26 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 338 . 1 1 25 CYS HA H 21.715 6.422 -1.703 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 339 . 1 1 25 CYS HB2 H 21.376 3.892 -0.168 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 340 . 1 1 25 CYS HB3 H 19.949 4.474 -1.031 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 341 . 1 1 25 CYS N N 22.722 5.865 0.079 . . . 1.0 . . . . . . . . . . . . A . 26 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 342 . 1 1 25 CYS O O 19.848 6.330 0.956 . . . 1.0 . . . . . . . . . . . . A . 26 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 343 . 1 1 25 CYS SG S 21.731 3.901 -2.528 . . . 1.0 . . . . . . . . . . . . A . 26 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 344 . 1 1 26 SER C C 17.789 8.200 0.188 . . . 1.0 . . . . . . . . . . . . A . 27 SER C . . . . . . . . . rr_1j5l 1
. 1 . 345 . 1 1 26 SER CA C 19.173 8.851 0.206 . . . 1.0 . . . . . . . . . . . . A . 27 SER CA . . . . . . . . . rr_1j5l 1
. 1 . 346 . 1 1 26 SER CB C 19.164 10.144 -0.611 . . . 1.0 . . . . . . . . . . . . A . 27 SER CB . . . . . . . . . rr_1j5l 1
. 1 . 347 . 1 1 26 SER H H 20.672 8.316 -1.244 . . . 1.0 . . . . . . . . . . . . A . 27 SER H . . . . . . . . . rr_1j5l 1
. 1 . 348 . 1 1 26 SER HA H 19.475 9.062 1.219 . . . 1.0 . . . . . . . . . . . . A . 27 SER HA . . . . . . . . . rr_1j5l 1
. 1 . 349 . 1 1 26 SER HB2 H 18.528 10.020 -1.475 . . . 1.0 . . . . . . . . . . . . A . 27 SER HB2 . . . . . . . . . rr_1j5l 1
. 1 . 350 . 1 1 26 SER HB3 H 18.790 10.952 -0.001 . . . 1.0 . . . . . . . . . . . . A . 27 SER HB3 . . . . . . . . . rr_1j5l 1
. 1 . 351 . 1 1 26 SER HG H 20.428 10.996 -1.818 . . . 1.0 . . . . . . . . . . . . A . 27 SER HG . . . . . . . . . rr_1j5l 1
. 1 . 352 . 1 1 26 SER N N 20.180 7.979 -0.467 . . . 1.0 . . . . . . . . . . . . A . 27 SER N . . . . . . . . . rr_1j5l 1
. 1 . 353 . 1 1 26 SER O O 16.902 8.620 -0.528 . . . 1.0 . . . . . . . . . . . . A . 27 SER O . . . . . . . . . rr_1j5l 1
. 1 . 354 . 1 1 26 SER OG O 20.486 10.444 -1.035 . . . 1.0 . . . . . . . . . . . . A . 27 SER OG . . . . . . . . . rr_1j5l 1
. 1 . 355 . 1 1 27 CYS C C 16.292 5.317 1.977 . . . 1.0 . . . . . . . . . . . . A . 28 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 356 . 1 1 27 CYS CA C 16.266 6.504 1.010 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 357 . 1 1 27 CYS CB C 15.983 6.030 -0.422 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 358 . 1 1 27 CYS H H 18.328 6.860 1.546 . . . 1.0 . . . . . . . . . . . . A . 28 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 359 . 1 1 27 CYS HA H 15.506 7.207 1.314 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 360 . 1 1 27 CYS HB2 H 15.318 5.181 -0.391 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 361 . 1 1 27 CYS HB3 H 15.514 6.831 -0.975 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 362 . 1 1 27 CYS N N 17.597 7.180 0.975 . . . 1.0 . . . . . . . . . . . . A . 28 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 363 . 1 1 27 CYS O O 15.273 4.931 2.515 . . . 1.0 . . . . . . . . . . . . A . 28 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 364 . 1 1 27 CYS SG S 17.522 5.552 -1.247 . . . 1.0 . . . . . . . . . . . . A . 28 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 365 . 1 1 28 CYS C C 17.280 4.193 4.601 . . . 1.0 . . . . . . . . . . . . A . 29 CYS C . . . . . . . . . rr_1j5l 1
. 1 . 366 . 1 1 28 CYS CA C 17.478 3.605 3.189 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CA . . . . . . . . . rr_1j5l 1
. 1 . 367 . 1 1 28 CYS CB C 18.855 2.932 3.061 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CB . . . . . . . . . rr_1j5l 1
. 1 . 368 . 1 1 28 CYS H H 18.257 5.075 1.809 . . . 1.0 . . . . . . . . . . . . A . 29 CYS H . . . . . . . . . rr_1j5l 1
. 1 . 369 . 1 1 28 CYS HA H 16.694 2.899 2.968 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HA . . . . . . . . . rr_1j5l 1
. 1 . 370 . 1 1 28 CYS HB2 H 19.516 3.333 3.806 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB2 . . . . . . . . . rr_1j5l 1
. 1 . 371 . 1 1 28 CYS HB3 H 18.731 1.875 3.255 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB3 . . . . . . . . . rr_1j5l 1
. 1 . 372 . 1 1 28 CYS N N 17.440 4.745 2.228 . . . 1.0 . . . . . . . . . . . . A . 29 CYS N . . . . . . . . . rr_1j5l 1
. 1 . 373 . 1 1 28 CYS O O 16.788 5.298 4.717 . . . 1.0 . . . . . . . . . . . . A . 29 CYS O . . . . . . . . . rr_1j5l 1
. 1 . 374 . 1 1 28 CYS SG S 19.630 3.133 1.424 . . . 1.0 . . . . . . . . . . . . A . 29 CYS SG . . . . . . . . . rr_1j5l 1
. 1 . 375 . 1 1 29 PRO C C 18.490 5.127 7.292 . . . 1.0 . . . . . . . . . . . . A . 30 PRO C . . . . . . . . . rr_1j5l 1
. 1 . 376 . 1 1 29 PRO CA C 17.468 4.021 7.014 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CA . . . . . . . . . rr_1j5l 1
. 1 . 377 . 1 1 29 PRO CB C 17.723 2.827 7.922 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CB . . . . . . . . . rr_1j5l 1
. 1 . 378 . 1 1 29 PRO CD C 18.250 2.127 5.673 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CD . . . . . . . . . rr_1j5l 1
. 1 . 379 . 1 1 29 PRO CG C 18.609 1.932 7.125 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CG . . . . . . . . . rr_1j5l 1
. 1 . 380 . 1 1 29 PRO HA H 16.463 4.386 7.149 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HA . . . . . . . . . rr_1j5l 1
. 1 . 381 . 1 1 29 PRO HB2 H 18.222 3.141 8.827 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HB2 . . . . . . . . . rr_1j5l 1
. 1 . 382 . 1 1 29 PRO HB3 H 16.795 2.327 8.156 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HB3 . . . . . . . . . rr_1j5l 1
. 1 . 383 . 1 1 29 PRO HD2 H 19.140 2.081 5.074 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HD2 . . . . . . . . . rr_1j5l 1
. 1 . 384 . 1 1 29 PRO HD3 H 17.534 1.386 5.353 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HD3 . . . . . . . . . rr_1j5l 1
. 1 . 385 . 1 1 29 PRO HG2 H 19.640 2.211 7.282 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HG2 . . . . . . . . . rr_1j5l 1
. 1 . 386 . 1 1 29 PRO HG3 H 18.458 0.907 7.416 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HG3 . . . . . . . . . rr_1j5l 1
. 1 . 387 . 1 1 29 PRO N N 17.651 3.473 5.642 . . . 1.0 . . . . . . . . . . . . A . 30 PRO N . . . . . . . . . rr_1j5l 1
. 1 . 388 . 1 1 29 PRO O O 19.219 5.082 8.263 . . . 1.0 . . . . . . . . . . . . A . 30 PRO O . . . . . . . . . rr_1j5l 1
. 1 . 389 . 1 1 30 THR C C 18.814 8.579 6.584 . . . 1.0 . . . . . . . . . . . . A . 31 THR C . . . . . . . . . rr_1j5l 1
. 1 . 390 . 1 1 30 THR CA C 19.525 7.225 6.665 . . . 1.0 . . . . . . . . . . . . A . 31 THR CA . . . . . . . . . rr_1j5l 1
. 1 . 391 . 1 1 30 THR CB C 20.542 7.085 5.531 . . . 1.0 . . . . . . . . . . . . A . 31 THR CB . . . . . . . . . rr_1j5l 1
. 1 . 392 . 1 1 30 THR CG2 C 21.163 5.688 5.569 . . . 1.0 . . . . . . . . . . . . A . 31 THR CG2 . . . . . . . . . rr_1j5l 1
. 1 . 393 . 1 1 30 THR H H 17.954 6.133 5.674 . . . 1.0 . . . . . . . . . . . . A . 31 THR H . . . . . . . . . rr_1j5l 1
. 1 . 394 . 1 1 30 THR HA H 20.018 7.113 7.617 . . . 1.0 . . . . . . . . . . . . A . 31 THR HA . . . . . . . . . rr_1j5l 1
. 1 . 395 . 1 1 30 THR HB H 21.320 7.823 5.651 . . . 1.0 . . . . . . . . . . . . A . 31 THR HB . . . . . . . . . rr_1j5l 1
. 1 . 396 . 1 1 30 THR HG1 H 20.410 6.849 3.604 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG1 . . . . . . . . . rr_1j5l 1
. 1 . 397 . 1 1 30 THR HG21 H 21.967 5.671 6.290 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG21 . . . . . . . . . rr_1j5l 1
. 1 . 398 . 1 1 30 THR HG22 H 21.550 5.439 4.592 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG22 . . . . . . . . . rr_1j5l 1
. 1 . 399 . 1 1 30 THR HG23 H 20.410 4.967 5.852 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG23 . . . . . . . . . rr_1j5l 1
. 1 . 400 . 1 1 30 THR N N 18.550 6.118 6.449 . . . 1.0 . . . . . . . . . . . . A . 31 THR N . . . . . . . . . rr_1j5l 1
. 1 . 401 . 1 1 30 THR O O 17.612 8.608 6.792 . . . 1.0 . . . . . . . . . . . . A . 31 THR O . . . . . . . . . rr_1j5l 1
. 1 . 402 . 1 1 30 THR OXT O 19.484 9.563 6.317 . . . 1.0 . . . . . . . . . . . . A . 31 THR OXT . . . . . . . . . rr_1j5l 1
. 1 . 403 . 1 1 30 THR OG1 O 19.888 7.281 4.284 . . . 1.0 . . . . . . . . . . . . A . 31 THR OG1 . . . . . . . . . rr_1j5l 1
. 1 . 404 . 2 2 1 CD CD Cd 20.527 0.755 1.465 . . . 1.0 . . . . . . . . . . . . A . 32 CD CD . . . . . . . . . rr_1j5l 1
. 1 . 405 . 3 2 1 CD CD Cd 17.661 3.226 -0.218 . . . 1.0 . . . . . . . . . . . . A . 33 CD CD . . . . . . . . . rr_1j5l 1
. 1 . 406 . 4 2 1 CD CD Cd 20.621 1.588 -2.569 . . . 1.0 . . . . . . . . . . . . A . 34 CD CD . . . . . . . . . rr_1j5l 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_1j5l
_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 1j5l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5l 1
1 1j5l.mr . . XPLOR/CNS 2 distance NOE simple 236 rr_1j5l 1
1 1j5l.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 rr_1j5l 1
1 1j5l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5l 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_1j5l
_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: '1j5l'" . . . . distance "general distance" . 236 rr_1j5l 1
2 "From CCPN project: '1j5l'" . . . . "dihedral angle" "Not applicable" . 17 rr_1j5l 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 1j5l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1j5l 1
1 1j5l.mr . . XPLOR/CNS 2 distance NOE simple 236 rr_1j5l 1
1 1j5l.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 rr_1j5l 1
1 1j5l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1j5l 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_1j5l
_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_1j5l 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 OR . 1 1 10 10 LYS HD2 H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HG2 . . A . 11 LYS HD2 . . . 11 . HG* . . . . . 11 . HD* . . rr_1j5l 1
1 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HG2 . . A . 11 LYS HD3 . . . 11 . HG* . . . . . 11 . HD* . . rr_1j5l 1
1 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HD2 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HG3 . . A . 11 LYS HD2 . . . 11 . HG* . . . . . 11 . HD* . . rr_1j5l 1
1 4 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HD3 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HG3 . . A . 11 LYS HD3 . . . 11 . HG* . . . . . 11 . HD* . . rr_1j5l 1
2 1 OR . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS HD3 H . . . . . 2.7 1.8 2.7 . . . . . A . 24 LYS HG3 . . A . 24 LYS HD3 . . . 24 . HG1 . . . . . 24 . HD* . . rr_1j5l 1
2 2 OR . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS HD2 H . . . . . 2.7 1.8 2.7 . . . . . A . 24 LYS HG3 . . A . 24 LYS HD2 . . . 24 . HG1 . . . . . 24 . HD* . . rr_1j5l 1
3 1 . . 1 1 23 23 LYS HD2 H . . . 1 1 22 22 SER HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 23 SER HB2 . . A . 24 LYS HD2 . . . 23 . HB2 . . . . . 24 . HD2 . . rr_1j5l 1
4 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 3 CYS H . . A . 3 CYS HA . . . 3 . HN . . . . . 3 . HA . . rr_1j5l 1
5 1 . . 1 1 4 4 LYS HB3 H . . . 1 1 4 4 LYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 5 LYS HB3 . . A . 5 LYS HA . . . 5 . HB1 . . . . . 5 . HA . . rr_1j5l 1
6 1 . . 1 1 18 18 ALA MB H . . . 1 1 18 18 ALA HA H . . . . . 3.6 1.8 3.6 . . . . . A . 19 ALA MB . . A . 19 ALA HA . . . 19 . HB* . . . . . 19 . HA . . rr_1j5l 1
7 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 PRO HA H . . . . . 2.7 1.8 2.7 . . . . . A . 26 CYS H . . A . 25 PRO HA . . . 26 . HN . . . . . 25 . HA . . rr_1j5l 1
8 1 . . 1 1 30 30 THR H H . . . 1 1 29 29 PRO HA H . . . . . 2.7 1.8 2.7 . . . . . A . 31 THR H . . A . 30 PRO HA . . . 31 . HN . . . . . 30 . HA . . rr_1j5l 1
9 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS H . . A . 10 CYS HA . . . 11 . HN . . . . . 10 . HA . . rr_1j5l 1
10 1 . . 1 1 4 4 LYS HB2 H . . . 1 1 3 3 GLU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 5 LYS HB2 . . A . 4 GLU HB3 . . . 5 . HB2 . . . . . 4 . HB1 . . rr_1j5l 1
11 1 . . 1 1 3 3 GLU HB2 H . . . 1 1 3 3 GLU HA H . . . . . 2.7 1.8 2.7 . . . . . A . 4 GLU HB2 . . A . 4 GLU HA . . . 4 . HB2 . . . . . 4 . HA . . rr_1j5l 1
12 1 . . 1 1 20 20 THR H H . . . 1 1 19 19 LYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 21 THR H . . A . 20 LYS H . . . 21 . HN . . . . . 20 . HN . . rr_1j5l 1
13 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 CYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 12 CYS H . . A . 11 LYS H . . . 12 . HN . . . . . 11 . HN . . rr_1j5l 1
14 1 . . 1 1 28 28 CYS H H . . . 1 1 28 28 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 29 CYS H . . A . 29 CYS HB3 . . . 29 . HN . . . . . 29 . HB1 . . rr_1j5l 1
15 1 . . 1 1 4 4 LYS HB3 H . . . 1 1 20 20 THR MG H . . . . . 3.7 1.8 3.7 . . . . . A . 5 LYS HB3 . . A . 21 THR MG . . . 5 . HB1 . . . . . 21 . HG2* . . rr_1j5l 1
16 1 OR . 1 1 16 16 GLU HA H . . . 1 1 16 16 GLU HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU HB2 . . A . 17 GLU HA . . . 17 . HB* . . . . . 17 . HA . . rr_1j5l 1
16 2 OR . 1 1 16 16 GLU HB3 H . . . 1 1 16 16 GLU HA H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU HB3 . . A . 17 GLU HA . . . 17 . HB* . . . . . 17 . HA . . rr_1j5l 1
17 1 . . 1 1 29 29 PRO HD2 H . . . 1 1 28 28 CYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 30 PRO HD2 . . A . 29 CYS HB2 . . . 30 . HD2 . . . . . 29 . HB2 . . rr_1j5l 1
18 1 . . 1 1 18 18 ALA MB H . . . 1 1 18 18 ALA H H . . . . . 3.7 1.8 3.7 . . . . . A . 19 ALA H . . A . 19 ALA MB . . . 19 . HN . . . . . 19 . HB* . . rr_1j5l 1
19 1 . . 1 1 20 20 THR H H . . . 1 1 21 21 CYS H H . . . . . 3.2 1.8 3.2 . . . . . A . 22 CYS H . . A . 21 THR H . . . 22 . HN . . . . . 21 . HN . . rr_1j5l 1
20 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 26 CYS H . . A . 26 CYS HB3 . . . 26 . HN . . . . . 26 . HB1 . . rr_1j5l 1
21 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR HB H . . . . . 3.2 1.8 3.2 . . . . . A . 21 THR H . . A . 21 THR HB . . . 21 . HN . . . . . 21 . HB . . rr_1j5l 1
22 1 OR . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU H . . A . 17 GLU HB2 . . . 17 . HN . . . . . 17 . HB* . . rr_1j5l 1
22 2 OR . 1 1 16 16 GLU HB3 H . . . 1 1 16 16 GLU H H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU H . . A . 17 GLU HB3 . . . 17 . HN . . . . . 17 . HB* . . rr_1j5l 1
23 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 12 CYS H . . A . 12 CYS HB3 . . . 12 . HN . . . . . 12 . HB1 . . rr_1j5l 1
24 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 18 CYS H . . A . 18 CYS HB3 . . . 18 . HN . . . . . 18 . HB1 . . rr_1j5l 1
25 1 . . 1 1 16 16 GLU HA H . . . 1 1 16 16 GLU HG2 H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU HG2 . . A . 17 GLU HA . . . 17 . HG2 . . . . . 17 . HA . . rr_1j5l 1
26 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 18 CYS H . . A . 18 CYS HB2 . . . 18 . HN . . . . . 18 . HB2 . . rr_1j5l 1
27 1 OR . 1 1 9 9 CYS HA H . . . 1 1 9 9 CYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 10 CYS HB2 . . A . 10 CYS HA . . . 10 . HB* . . . . . 10 . HA . . rr_1j5l 1
27 2 OR . 1 1 9 9 CYS HA H . . . 1 1 9 9 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 10 CYS HB3 . . A . 10 CYS HA . . . 10 . HB* . . . . . 10 . HA . . rr_1j5l 1
28 1 . . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 20 LYS HG3 . . A . 20 LYS HB3 . . . 20 . HG1 . . . . . 20 . HB1 . . rr_1j5l 1
29 1 . . 1 1 29 29 PRO HD2 H . . . 1 1 28 28 CYS HA H . . . . . 3.2 1.8 3.2 . . . . . A . 30 PRO HD2 . . A . 29 CYS HA . . . 30 . HD2 . . . . . 29 . HA . . rr_1j5l 1
30 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 3.2 1.8 3.2 . . . . . A . 6 CYS H . . A . 6 CYS HB3 . . . 6 . HN . . . . . 6 . HB1 . . rr_1j5l 1
31 1 . . 1 1 4 4 LYS HB3 H . . . 1 1 4 4 LYS H H . . . . . 3.2 1.8 3.2 . . . . . A . 5 LYS H . . A . 5 LYS HB3 . . . 5 . HN . . . . . 5 . HB1 . . rr_1j5l 1
32 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 LYS H H . . . . . 3.2 1.8 3.2 . . . . . A . 6 CYS H . . A . 5 LYS H . . . 6 . HN . . . . . 5 . HN . . rr_1j5l 1
33 1 . . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HG3 H . . . . . 3.2 1.8 3.2 . . . . . A . 20 LYS H . . A . 20 LYS HG3 . . . 20 . HN . . . . . 20 . HG1 . . rr_1j5l 1
34 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 GLY HA2 H . . . . . 3.2 1.8 3.2 . . . . . A . 10 CYS H . . A . 9 GLY HA2 . . . 10 . HN . . . . . 9 . HA2 . . rr_1j5l 1
35 1 . . 1 1 21 21 CYS H H . . . 1 1 20 20 THR HB H . . . . . 3.2 1.8 3.2 . . . . . A . 22 CYS H . . A . 21 THR HB . . . 22 . HN . . . . . 21 . HB . . rr_1j5l 1
36 1 . . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 20 LYS H . . A . 20 LYS HB2 . . . 20 . HN . . . . . 20 . HB2 . . rr_1j5l 1
37 1 . . 1 1 16 16 GLU H H . . . 1 1 17 17 CYS H H . . . . . 3.2 1.8 3.2 . . . . . A . 17 GLU H . . A . 18 CYS H . . . 17 . HN . . . . . 18 . HN . . rr_1j5l 1
38 1 OR . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 10 CYS HB2 . . . 10 . HN . . . . . 10 . HB* . . rr_1j5l 1
38 2 OR . 1 1 9 9 CYS HB3 H . . . 1 1 9 9 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 10 CYS HB3 . . . 10 . HN . . . . . 10 . HB* . . rr_1j5l 1
39 1 . . 1 1 8 8 GLY H H . . . 1 1 8 8 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 9 GLY H . . A . 9 GLY HA3 . . . 9 . HN . . . . . 9 . HA1 . . rr_1j5l 1
40 1 . . 1 1 18 18 ALA H H . . . 1 1 17 17 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 19 ALA H . . A . 18 CYS HB2 . . . 19 . HN . . . . . 18 . HB2 . . rr_1j5l 1
41 1 . . 1 1 28 28 CYS H H . . . 1 1 27 27 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 29 CYS H . . A . 28 CYS H . . . 29 . HN . . . . . 28 . HN . . rr_1j5l 1
42 1 . . 1 1 8 8 GLY HA2 H . . . 1 1 8 8 GLY H H . . . . . 3.6 1.8 3.6 . . . . . A . 9 GLY H . . A . 9 GLY HA2 . . . 9 . HN . . . . . 9 . HA2 . . rr_1j5l 1
43 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB2 . . rr_1j5l 1
44 1 . . 1 1 5 5 CYS H H . . . 1 1 6 6 THR H H . . . . . 3.6 1.8 3.6 . . . . . A . 7 THR H . . A . 6 CYS H . . . 7 . HN . . . . . 6 . HN . . rr_1j5l 1
45 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS H . . A . 22 CYS HB3 . . . 22 . HN . . . . . 22 . HB1 . . rr_1j5l 1
46 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 24 LYS H . . A . 24 LYS HA . . . 24 . HN . . . . . 24 . HA . . rr_1j5l 1
47 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR HB H . . . . . 3.6 1.8 3.6 . . . . . A . 7 THR H . . A . 7 THR HB . . . 7 . HN . . . . . 7 . HB . . rr_1j5l 1
48 1 . . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 17 GLU H . . A . 17 GLU HG2 . . . 17 . HN . . . . . 17 . HG2 . . rr_1j5l 1
49 1 . . 1 1 19 19 LYS H H . . . 1 1 18 18 ALA H H . . . . . 3.6 1.8 3.6 . . . . . A . 20 LYS H . . A . 19 ALA H . . . 20 . HN . . . . . 19 . HN . . rr_1j5l 1
50 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 21 21 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS HB3 . . A . 22 CYS HA . . . 22 . HB1 . . . . . 22 . HA . . rr_1j5l 1
51 1 . . 1 1 18 18 ALA HA H . . . 1 1 18 18 ALA H H . . . . . 3.6 1.8 3.6 . . . . . A . 19 ALA H . . A . 19 ALA HA . . . 19 . HN . . . . . 19 . HA . . rr_1j5l 1
52 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_1j5l 1
53 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HA H . . . . . 3.6 1.8 3.6 . . . . . A . 14 SER H . . A . 14 SER HA . . . 14 . HN . . . . . 14 . HA . . rr_1j5l 1
54 1 OR . 1 1 16 16 GLU H H . . . 1 1 15 15 ASP HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 17 GLU H . . A . 16 ASP HB2 . . . 17 . HN . . . . . 16 . HB* . . rr_1j5l 1
54 2 OR . 1 1 16 16 GLU H H . . . 1 1 15 15 ASP HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 17 GLU H . . A . 16 ASP HB3 . . . 17 . HN . . . . . 16 . HB* . . rr_1j5l 1
55 1 . . 1 1 18 18 ALA HA H . . . 1 1 19 19 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 20 LYS H . . A . 19 ALA HA . . . 20 . HN . . . . . 19 . HA . . rr_1j5l 1
56 1 OR . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB2 H . . . . . 4.1 1.8 4.1 . . . . . A . 28 CYS H . . A . 28 CYS HB2 . . . 28 . HN . . . . . 28 . HB* . . rr_1j5l 1
56 2 OR . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 4.1 1.8 4.1 . . . . . A . 28 CYS H . . A . 28 CYS HB3 . . . 28 . HN . . . . . 28 . HB* . . rr_1j5l 1
57 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 12 CYS H . . A . 12 CYS HA . . . 12 . HN . . . . . 12 . HA . . rr_1j5l 1
58 1 . . 1 1 6 6 THR HB H . . . 1 1 6 6 THR HA H . . . . . 3.6 1.8 3.6 . . . . . A . 7 THR HA . . A . 7 THR HB . . . 7 . HA . . . . . 7 . HB . . rr_1j5l 1
59 1 OR . 1 1 5 5 CYS HB3 H . . . 1 1 1 1 PRO HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 CYS HB3 . . A . 2 PRO HB2 . . . 6 . HB1 . . . . . 2 . HB* . . rr_1j5l 1
59 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 1 1 PRO HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 6 CYS HB3 . . A . 2 PRO HB3 . . . 6 . HB1 . . . . . 2 . HB* . . rr_1j5l 1
60 1 . . 1 1 18 18 ALA H H . . . 1 1 17 17 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 19 ALA H . . A . 18 CYS H . . . 19 . HN . . . . . 18 . HN . . rr_1j5l 1
61 1 . . 1 1 28 28 CYS HB2 H . . . 1 1 28 28 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 29 CYS HB2 . . A . 29 CYS HA . . . 29 . HB2 . . . . . 29 . HA . . rr_1j5l 1
62 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 11 LYS H . . A . 11 LYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1j5l 1
63 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS H . . A . 18 CYS HA . . . 18 . HN . . . . . 18 . HA . . rr_1j5l 1
64 1 OR . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 14 SER H . . A . 13 PRO HB2 . . . 14 . HN . . . . . 13 . HB* . . rr_1j5l 1
64 2 OR . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 14 SER H . . A . 13 PRO HB3 . . . 14 . HN . . . . . 13 . HB* . . rr_1j5l 1
65 1 . . 1 1 26 26 SER H H . . . 1 1 26 26 SER HA H . . . . . 3.6 1.8 3.6 . . . . . A . 27 SER H . . A . 27 SER HA . . . 27 . HN . . . . . 27 . HA . . rr_1j5l 1
66 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR HA H . . . . . 3.6 1.8 3.6 . . . . . A . 7 THR H . . A . 7 THR HA . . . 7 . HN . . . . . 7 . HA . . rr_1j5l 1
67 1 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 16 ASP H . . A . 16 ASP HB2 . . . 16 . HN . . . . . 16 . HB* . . rr_1j5l 1
67 2 OR . 1 1 15 15 ASP HB3 H . . . 1 1 15 15 ASP H H . . . . . 3.6 1.8 3.6 . . . . . A . 16 ASP H . . A . 16 ASP HB3 . . . 16 . HN . . . . . 16 . HB* . . rr_1j5l 1
68 1 . . 1 1 16 16 GLU HA H . . . 1 1 16 16 GLU H H . . . . . 3.6 1.8 3.6 . . . . . A . 17 GLU H . . A . 17 GLU HA . . . 17 . HN . . . . . 17 . HA . . rr_1j5l 1
69 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR HA H . . . . . 3.6 1.8 3.6 . . . . . A . 31 THR H . . A . 31 THR HA . . . 31 . HN . . . . . 31 . HA . . rr_1j5l 1
70 1 . . 1 1 6 6 THR HA H . . . 1 1 6 6 THR MG H . . . . . 4.1 1.8 4.1 . . . . . A . 7 THR MG . . A . 7 THR HA . . . 7 . HG2* . . . . . 7 . HA . . rr_1j5l 1
71 1 OR . 1 1 17 17 CYS H H . . . 1 1 16 16 GLU HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS H . . A . 17 GLU HB2 . . . 18 . HN . . . . . 17 . HB* . . rr_1j5l 1
71 2 OR . 1 1 16 16 GLU HB3 H . . . 1 1 17 17 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS H . . A . 17 GLU HB3 . . . 18 . HN . . . . . 17 . HB* . . rr_1j5l 1
72 1 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 LYS H . . A . 5 LYS HG2 . . . 5 . HN . . . . . 5 . HG* . . rr_1j5l 1
72 2 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HG3 H . . . . . 3.6 1.8 3.6 . . . . . A . 5 LYS H . . A . 5 LYS HG3 . . . 5 . HN . . . . . 5 . HG* . . rr_1j5l 1
73 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR MG H . . . . . 4.1 1.8 4.1 . . . . . A . 31 THR H . . A . 31 THR MG . . . 31 . HN . . . . . 31 . HG2* . . rr_1j5l 1
74 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 15 LYS H . . A . 15 LYS HB2 . . . 15 . HN . . . . . 15 . HB* . . rr_1j5l 1
74 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 15 LYS H . . A . 15 LYS HB3 . . . 15 . HN . . . . . 15 . HB* . . rr_1j5l 1
75 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 GLU H H . . . . . 3.6 1.8 3.6 . . . . . A . 4 GLU H . . A . 3 CYS HA . . . 4 . HN . . . . . 3 . HA . . rr_1j5l 1
76 1 . . 1 1 23 23 LYS H H . . . 1 1 21 21 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 24 LYS H . . A . 22 CYS HB2 . . . 24 . HN . . . . . 22 . HB2 . . rr_1j5l 1
77 1 . . 1 1 30 30 THR MG H . . . 1 1 30 30 THR HB H . . . . . 4.1 1.8 4.1 . . . . . A . 31 THR HB . . A . 31 THR MG . . . 31 . HB . . . . . 31 . HG2* . . rr_1j5l 1
78 1 . . 1 1 16 16 GLU HA H . . . 1 1 17 17 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS H . . A . 17 GLU HA . . . 18 . HN . . . . . 17 . HA . . rr_1j5l 1
79 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HA H . . . . . 3.6 1.8 3.6 . . . . . A . 14 SER H . . A . 13 PRO HA . . . 14 . HN . . . . . 13 . HA . . rr_1j5l 1
80 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 22 CYS H . . A . 22 CYS HA . . . 22 . HN . . . . . 22 . HA . . rr_1j5l 1
81 1 . . 1 1 4 4 LYS HA H . . . 1 1 4 4 LYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 5 LYS H . . A . 5 LYS HA . . . 5 . HN . . . . . 5 . HA . . rr_1j5l 1
82 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 26 CYS H . . A . 26 CYS HB2 . . . 26 . HN . . . . . 26 . HB2 . . rr_1j5l 1
83 1 . . 1 1 3 3 GLU H H . . . 1 1 2 2 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 4 GLU H . . A . 3 CYS HB3 . . . 4 . HN . . . . . 3 . HB1 . . rr_1j5l 1
84 1 . . 1 1 9 9 CYS HA H . . . 1 1 9 9 CYS H H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 10 CYS HA . . . 10 . HN . . . . . 10 . HA . . rr_1j5l 1
85 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR MG H . . . . . 4.1 1.8 4.1 . . . . . A . 7 THR H . . A . 7 THR MG . . . 7 . HN . . . . . 7 . HG2* . . rr_1j5l 1
86 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 GLY HA3 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 9 GLY HA3 . . . 10 . HN . . . . . 9 . HA1 . . rr_1j5l 1
87 1 . . 1 1 3 3 GLU HB2 H . . . 1 1 3 3 GLU H H . . . . . 3.6 1.8 3.6 . . . . . A . 4 GLU H . . A . 4 GLU HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_1j5l 1
88 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB1 . . rr_1j5l 1
89 1 . . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 28 CYS H . . A . 28 CYS HA . . . 28 . HN . . . . . 28 . HA . . rr_1j5l 1
90 1 . . 1 1 17 17 CYS H H . . . 1 1 16 16 GLU HG2 H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS H . . A . 17 GLU HG2 . . . 18 . HN . . . . . 17 . HG2 . . rr_1j5l 1
91 1 . . 1 1 17 17 CYS HB3 H . . . 1 1 11 11 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS HB3 . . A . 12 CYS HB2 . . . 18 . HB1 . . . . . 12 . HB2 . . rr_1j5l 1
92 1 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LYS H . . A . 5 LYS HD2 . . . 5 . HN . . . . . 5 . HD* . . rr_1j5l 1
92 2 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LYS H . . A . 5 LYS HD3 . . . 5 . HN . . . . . 5 . HD* . . rr_1j5l 1
93 1 . . 1 1 3 3 GLU HB2 H . . . 1 1 4 4 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 5 LYS H . . A . 4 GLU HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_1j5l 1
94 1 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 PRO HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 CYS H . . A . 2 PRO HB2 . . . 3 . HN . . . . . 2 . HB* . . rr_1j5l 1
94 2 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 PRO HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 CYS H . . A . 2 PRO HB3 . . . 3 . HN . . . . . 2 . HB* . . rr_1j5l 1
95 1 . . 1 1 2 2 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 3 CYS H . . A . 6 CYS HB3 . . . 3 . HN . . . . . 6 . HB1 . . rr_1j5l 1
96 1 . . 1 1 3 3 GLU HA H . . . 1 1 4 4 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 5 LYS H . . A . 4 GLU HA . . . 5 . HN . . . . . 4 . HA . . rr_1j5l 1
97 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_1j5l 1
98 1 . . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 15 LYS H . . A . 15 LYS HA . . . 15 . HN . . . . . 15 . HA . . rr_1j5l 1
99 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 12 CYS H . . A . 12 CYS HB2 . . . 12 . HN . . . . . 12 . HB2 . . rr_1j5l 1
100 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 22 CYS HB2 . . . 22 . HN . . . . . 22 . HB2 . . rr_1j5l 1
101 1 . . 1 1 20 20 THR MG H . . . 1 1 21 21 CYS H H . . . . . 5.0 1.8 5.0 . . . . . A . 22 CYS H . . A . 21 THR MG . . . 22 . HN . . . . . 21 . HG2* . . rr_1j5l 1
102 1 . . 1 1 17 17 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 18 CYS H . . A . 12 CYS HB2 . . . 18 . HN . . . . . 12 . HB2 . . rr_1j5l 1
103 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 PRO HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 26 CYS H . . A . 25 PRO HB3 . . . 26 . HN . . . . . 25 . HB1 . . rr_1j5l 1
104 1 . . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HA H . . . . . 4.5 1.8 4.5 . . . . . A . 16 ASP H . . A . 16 ASP HA . . . 16 . HN . . . . . 16 . HA . . rr_1j5l 1
105 1 . . 1 1 4 4 LYS HB3 H . . . 1 1 5 5 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 6 CYS H . . A . 5 LYS HB3 . . . 6 . HN . . . . . 5 . HB1 . . rr_1j5l 1
106 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 6 CYS H . . A . 6 CYS HB2 . . . 6 . HN . . . . . 6 . HB2 . . rr_1j5l 1
107 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 6 CYS H . . A . 6 CYS HA . . . 6 . HN . . . . . 6 . HA . . rr_1j5l 1
108 1 . . 1 1 27 27 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 28 CYS H . . A . 26 CYS HB2 . . . 28 . HN . . . . . 26 . HB2 . . rr_1j5l 1
109 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 27 27 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 28 CYS H . . A . 26 CYS HB3 . . . 28 . HN . . . . . 26 . HB1 . . rr_1j5l 1
110 1 . . 1 1 20 20 THR H H . . . 1 1 19 19 LYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 21 THR H . . A . 20 LYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1j5l 1
111 1 . . 1 1 30 30 THR H H . . . 1 1 29 29 PRO HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 31 THR H . . A . 30 PRO HG3 . . . 31 . HN . . . . . 30 . HG1 . . rr_1j5l 1
112 1 . . 1 1 30 30 THR H H . . . 1 1 29 29 PRO HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 31 THR H . . A . 30 PRO HB3 . . . 31 . HN . . . . . 30 . HB1 . . rr_1j5l 1
113 1 . . 1 1 30 30 THR H H . . . 1 1 28 28 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 31 THR H . . A . 29 CYS HA . . . 31 . HN . . . . . 29 . HA . . rr_1j5l 1
114 1 . . 1 1 18 18 ALA H H . . . 1 1 17 17 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 19 ALA H . . A . 18 CYS HA . . . 19 . HN . . . . . 18 . HA . . rr_1j5l 1
115 1 . . 1 1 18 18 ALA H H . . . 1 1 17 17 CYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 19 ALA H . . A . 18 CYS HB3 . . . 19 . HN . . . . . 18 . HB1 . . rr_1j5l 1
116 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 23 23 LYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 24 LYS H . . A . 22 CYS HB3 . . . 24 . HN . . . . . 22 . HB1 . . rr_1j5l 1
117 1 . . 1 1 28 28 CYS H H . . . 1 1 28 28 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS H . . A . 29 CYS HB2 . . . 29 . HN . . . . . 29 . HB2 . . rr_1j5l 1
118 1 . . 1 1 28 28 CYS H H . . . 1 1 27 27 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS H . . A . 28 CYS HA . . . 29 . HN . . . . . 28 . HA . . rr_1j5l 1
119 1 . . 1 1 8 8 GLY H H . . . 1 1 7 7 SER HA H . . . . . 4.5 1.8 4.5 . . . . . A . 9 GLY H . . A . 8 SER HA . . . 9 . HN . . . . . 8 . HA . . rr_1j5l 1
120 1 . . 1 1 19 19 LYS H H . . . 1 1 16 16 GLU HA H . . . . . 4.5 1.8 4.5 . . . . . A . 20 LYS H . . A . 17 GLU HA . . . 20 . HN . . . . . 17 . HA . . rr_1j5l 1
121 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 SER H . . A . 14 SER HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1j5l 1
122 1 . . 1 1 13 13 SER H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 SER H . . A . 12 CYS HB2 . . . 14 . HN . . . . . 12 . HB2 . . rr_1j5l 1
123 1 . . 1 1 16 16 GLU HG2 H . . . 1 1 13 13 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 14 SER H . . A . 17 GLU HG2 . . . 14 . HN . . . . . 17 . HG2 . . rr_1j5l 1
124 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 14 SER H . . A . 13 PRO HG2 . . . 14 . HN . . . . . 13 . HG2 . . rr_1j5l 1
125 1 . . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 20 LYS H . . A . 20 LYS HB3 . . . 20 . HN . . . . . 20 . HB1 . . rr_1j5l 1
126 1 . . 1 1 18 18 ALA MB H . . . 1 1 15 15 ASP HA H . . . . . 5.0 1.8 5.0 . . . . . A . 16 ASP HA . . A . 19 ALA MB . . . 16 . HA . . . . . 19 . HB* . . rr_1j5l 1
127 1 . . 1 1 23 23 LYS HA H . . . 1 1 24 24 PRO HD2 H . . . . . 4.5 1.8 4.5 . . . . . A . 25 PRO HD2 . . A . 24 LYS HA . . . 25 . HD2 . . . . . 24 . HA . . rr_1j5l 1
128 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 23 23 LYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 22 CYS HB3 . . A . 24 LYS HB3 . . . 22 . HB1 . . . . . 24 . HB1 . . rr_1j5l 1
129 1 OR . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 16 ASP HB2 . . A . 16 ASP HA . . . 16 . HB* . . . . . 16 . HA . . rr_1j5l 1
129 2 OR . 1 1 15 15 ASP HB3 H . . . 1 1 15 15 ASP HA H . . . . . 5.0 1.8 5.0 . . . . . A . 16 ASP HB3 . . A . 16 ASP HA . . . 16 . HB* . . . . . 16 . HA . . rr_1j5l 1
130 1 . . 1 1 20 20 THR HB H . . . 1 1 19 19 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 20 LYS HB3 . . A . 21 THR HB . . . 20 . HB1 . . . . . 21 . HB . . rr_1j5l 1
131 1 . . 1 1 28 28 CYS HB3 H . . . 1 1 29 29 PRO HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 30 PRO HG2 . . A . 29 CYS HB3 . . . 30 . HG2 . . . . . 29 . HB1 . . rr_1j5l 1
132 1 . . 1 1 2 2 CYS H H . . . 1 1 5 5 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 3 CYS H . . A . 6 CYS H . . . 3 . HN . . . . . 6 . HN . . rr_1j5l 1
133 1 . . 1 1 16 16 GLU H H . . . 1 1 15 15 ASP H H . . . . . 4.5 1.8 4.5 . . . . . A . 16 ASP H . . A . 17 GLU H . . . 16 . HN . . . . . 17 . HN . . rr_1j5l 1
134 1 . . 1 1 16 16 GLU H H . . . 1 1 13 13 SER H H . . . . . 4.5 1.8 4.5 . . . . . A . 17 GLU H . . A . 14 SER H . . . 17 . HN . . . . . 14 . HN . . rr_1j5l 1
135 1 . . 1 1 9 9 CYS HA H . . . 1 1 11 11 CYS H H . . . . . 4.5 1.8 4.5 . . . . . A . 12 CYS H . . A . 10 CYS HA . . . 12 . HN . . . . . 10 . HA . . rr_1j5l 1
136 1 . . 1 1 22 22 SER HB2 H . . . 1 1 22 22 SER H H . . . . . 5.5 1.8 5.5 . . . . . A . 23 SER H . . A . 23 SER HB2 . . . 23 . HN . . . . . 23 . HB2 . . rr_1j5l 1
137 1 . . 1 1 2 2 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 3 CYS H . . A . 26 CYS HB2 . . . 3 . HN . . . . . 26 . HB2 . . rr_1j5l 1
138 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU H H . . . . . 5.5 1.8 5.5 . . . . . A . 4 GLU H . . A . 4 GLU HA . . . 4 . HN . . . . . 4 . HA . . rr_1j5l 1
139 1 . . 1 1 2 2 CYS HB2 H . . . 1 1 3 3 GLU H H . . . . . 5.5 1.8 5.5 . . . . . A . 4 GLU H . . A . 3 CYS HB2 . . . 4 . HN . . . . . 3 . HB2 . . rr_1j5l 1
140 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 6.0 1.8 6.0 . . . . . A . 11 LYS H . . A . 10 CYS HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1j5l 1
140 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 6.0 1.8 6.0 . . . . . A . 11 LYS H . . A . 10 CYS HB3 . . . 11 . HN . . . . . 10 . HB* . . rr_1j5l 1
141 1 . . 1 1 21 21 CYS H H . . . 1 1 17 17 CYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 22 CYS H . . A . 18 CYS HA . . . 22 . HN . . . . . 18 . HA . . rr_1j5l 1
142 1 . . 1 1 17 17 CYS H H . . . 1 1 15 15 ASP HA H . . . . . 5.5 1.8 5.5 . . . . . A . 18 CYS H . . A . 16 ASP HA . . . 18 . HN . . . . . 16 . HA . . rr_1j5l 1
143 1 . . 1 1 18 18 ALA MB H . . . 1 1 17 17 CYS H H . . . . . 6.0 1.8 6.0 . . . . . A . 18 CYS H . . A . 19 ALA MB . . . 18 . HN . . . . . 19 . HB* . . rr_1j5l 1
144 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 PRO HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 26 CYS H . . A . 25 PRO HB2 . . . 26 . HN . . . . . 25 . HB2 . . rr_1j5l 1
145 1 . . 1 1 25 25 CYS H H . . . 1 1 23 23 LYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 26 CYS H . . A . 24 LYS HB3 . . . 26 . HN . . . . . 24 . HB1 . . rr_1j5l 1
146 1 . . 1 1 15 15 ASP H H . . . 1 1 13 13 SER HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 16 ASP H . . A . 14 SER HB3 . . . 16 . HN . . . . . 14 . HB1 . . rr_1j5l 1
147 1 OR . 1 1 15 15 ASP H H . . . 1 1 16 16 GLU HB2 H . . . . . 6.0 1.8 6.0 . . . . . A . 16 ASP H . . A . 17 GLU HB2 . . . 16 . HN . . . . . 17 . HB* . . rr_1j5l 1
147 2 OR . 1 1 16 16 GLU HB3 H . . . 1 1 15 15 ASP H H . . . . . 6.0 1.8 6.0 . . . . . A . 16 ASP H . . A . 17 GLU HB3 . . . 16 . HN . . . . . 17 . HB* . . rr_1j5l 1
148 1 . . 1 1 27 27 CYS H H . . . 1 1 26 26 SER HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 28 CYS H . . A . 27 SER HB3 . . . 28 . HN . . . . . 27 . HB1 . . rr_1j5l 1
149 1 . . 1 1 20 20 THR H H . . . 1 1 17 17 CYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 21 THR H . . A . 18 CYS HA . . . 21 . HN . . . . . 18 . HA . . rr_1j5l 1
150 1 . . 1 1 20 20 THR H H . . . 1 1 19 19 LYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 21 THR H . . A . 20 LYS HB2 . . . 21 . HN . . . . . 20 . HB2 . . rr_1j5l 1
151 1 . . 1 1 4 4 LYS HA H . . . 1 1 5 5 CYS H H . . . . . 5.5 1.8 5.5 . . . . . A . 6 CYS H . . A . 5 LYS HA . . . 6 . HN . . . . . 5 . HA . . rr_1j5l 1
152 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR HB H . . . . . 5.5 1.8 5.5 . . . . . A . 31 THR H . . A . 31 THR HB . . . 31 . HN . . . . . 31 . HB . . rr_1j5l 1
153 1 . . 1 1 6 6 THR H H . . . 1 1 5 5 CYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 7 THR H . . A . 6 CYS HA . . . 7 . HN . . . . . 6 . HA . . rr_1j5l 1
154 1 . . 1 1 3 3 GLU HA H . . . 1 1 6 6 THR H H . . . . . 5.5 1.8 5.5 . . . . . A . 7 THR H . . A . 4 GLU HA . . . 7 . HN . . . . . 4 . HA . . rr_1j5l 1
155 1 . . 1 1 5 5 CYS HB3 H . . . 1 1 6 6 THR H H . . . . . 5.5 1.8 5.5 . . . . . A . 7 THR H . . A . 6 CYS HB3 . . . 7 . HN . . . . . 6 . HB1 . . rr_1j5l 1
156 1 . . 1 1 16 16 GLU H H . . . 1 1 15 15 ASP HA H . . . . . 5.5 1.8 5.5 . . . . . A . 17 GLU H . . A . 16 ASP HA . . . 17 . HN . . . . . 16 . HA . . rr_1j5l 1
157 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 23 23 LYS H H . . . . . 5.5 1.8 5.5 . . . . . A . 24 LYS H . . A . 26 CYS HB3 . . . 24 . HN . . . . . 26 . HB1 . . rr_1j5l 1
158 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS H H . . . . . 5.5 1.8 5.5 . . . . . A . 24 LYS H . . A . 24 LYS HG3 . . . 24 . HN . . . . . 24 . HG1 . . rr_1j5l 1
159 1 . . 1 1 28 28 CYS H H . . . 1 1 29 29 PRO HD3 H . . . . . 5.5 1.8 5.5 . . . . . A . 29 CYS H . . A . 30 PRO HD3 . . . 29 . HN . . . . . 30 . HD1 . . rr_1j5l 1
160 1 . . 1 1 28 28 CYS H H . . . 1 1 25 25 CYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 29 CYS H . . A . 26 CYS HB3 . . . 29 . HN . . . . . 26 . HB1 . . rr_1j5l 1
161 1 . . 1 1 9 9 CYS HA H . . . 1 1 8 8 GLY H H . . . . . 5.5 1.8 5.5 . . . . . A . 9 GLY H . . A . 10 CYS HA . . . 9 . HN . . . . . 10 . HA . . rr_1j5l 1
162 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 14 SER H . . A . 13 PRO HG3 . . . 14 . HN . . . . . 13 . HG1 . . rr_1j5l 1
163 1 . . 1 1 13 13 SER H H . . . 1 1 14 14 LYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 14 SER H . . A . 15 LYS HA . . . 14 . HN . . . . . 15 . HA . . rr_1j5l 1
164 1 . . 1 1 16 16 GLU HA H . . . 1 1 17 17 CYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 17 GLU HA . . A . 18 CYS HB3 . . . 17 . HA . . . . . 18 . HB1 . . rr_1j5l 1
165 1 OR . 1 1 6 6 THR HA H . . . 1 1 1 1 PRO HG2 H . . . . . 6.0 1.8 6.0 . . . . . A . 7 THR HA . . A . 2 PRO HG2 . . . 7 . HA . . . . . 2 . HG* . . rr_1j5l 1
165 2 OR . 1 1 6 6 THR HA H . . . 1 1 1 1 PRO HG3 H . . . . . 6.0 1.8 6.0 . . . . . A . 7 THR HA . . A . 2 PRO HG3 . . . 7 . HA . . . . . 2 . HG* . . rr_1j5l 1
166 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 29 29 PRO HD3 H . . . . . 5.5 1.8 5.5 . . . . . A . 30 PRO HD3 . . A . 12 CYS HB3 . . . 30 . HD1 . . . . . 12 . HB1 . . rr_1j5l 1
167 1 OR . 1 1 17 17 CYS HB3 H . . . 1 1 12 12 PRO HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 18 CYS HB3 . . A . 13 PRO HG3 . . . 18 . HB1 . . . . . 13 . HG* . . rr_1j5l 1
167 2 OR . 1 1 17 17 CYS HB3 H . . . 1 1 12 12 PRO HG2 H . . . . . 5.5 1.8 5.5 . . . . . A . 18 CYS HB3 . . A . 13 PRO HG2 . . . 18 . HB1 . . . . . 13 . HG* . . rr_1j5l 1
168 1 . . 1 1 24 24 PRO HA H . . . 1 1 21 21 CYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 22 CYS HB3 . . A . 25 PRO HA . . . 22 . HB1 . . . . . 25 . HA . . rr_1j5l 1
169 1 . . 1 1 16 16 GLU HA H . . . 1 1 16 16 GLU HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 17 GLU HG3 . . A . 17 GLU HA . . . 17 . HG1 . . . . . 17 . HA . . rr_1j5l 1
170 1 . . 1 1 3 3 GLU HB3 H . . . 1 1 3 3 GLU HA H . . . . . 5.5 1.8 5.5 . . . . . A . 4 GLU HB3 . . A . 4 GLU HA . . . 4 . HB1 . . . . . 4 . HA . . rr_1j5l 1
171 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 29 29 PRO HD3 H . . . . . 5.5 1.8 5.5 . . . . . A . 12 CYS HB2 . . A . 30 PRO HD3 . . . 12 . HB2 . . . . . 30 . HD1 . . rr_1j5l 1
172 1 . . 1 1 4 4 LYS HA H . . . 1 1 4 4 LYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 5 LYS HB2 . . A . 5 LYS HA . . . 5 . HB2 . . . . . 5 . HA . . rr_1j5l 1
173 1 . . 1 1 30 30 THR HA H . . . 1 1 29 29 PRO HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 30 PRO HG3 . . A . 31 THR HA . . . 30 . HG1 . . . . . 31 . HA . . rr_1j5l 1
174 1 . . 1 1 16 16 GLU HA H . . . 1 1 19 19 LYS HD3 H . . . . . 5.5 1.8 5.5 . . . . . A . 20 LYS HD3 . . A . 17 GLU HA . . . 20 . HD1 . . . . . 17 . HA . . rr_1j5l 1
175 1 . . 1 1 20 20 THR MG H . . . 1 1 17 17 CYS HA H . . . . . 6.0 1.8 6.0 . . . . . A . 21 THR MG . . A . 18 CYS HA . . . 21 . HG2* . . . . . 18 . HA . . rr_1j5l 1
176 1 . . 1 1 17 17 CYS H H . . . 1 1 13 13 SER H H . . . . . 5.5 1.8 5.5 . . . . . A . 14 SER H . . A . 18 CYS H . . . 14 . HN . . . . . 18 . HN . . rr_1j5l 1
177 1 . . 1 1 16 16 GLU HA H . . . 1 1 17 17 CYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 17 GLU HA . . A . 18 CYS HB2 . . . 17 . HA . . . . . 18 . HB2 . . rr_1j5l 1
178 1 . . 1 1 3 3 GLU HB3 H . . . 1 1 2 2 CYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 3 CYS HB3 . . A . 4 GLU HB3 . . . 3 . HB1 . . . . . 4 . HB1 . . rr_1j5l 1
179 1 . . 1 1 4 4 LYS HB2 H . . . 1 1 5 5 CYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 5 LYS HB2 . . A . 6 CYS HA . . . 5 . HB2 . . . . . 6 . HA . . rr_1j5l 1
180 1 . . 1 1 13 13 SER HA H . . . 1 1 29 29 PRO HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 30 PRO HG3 . . A . 14 SER HA . . . 30 . HG1 . . . . . 14 . HA . . rr_1j5l 1
181 1 OR . 1 1 22 22 SER HA H . . . 1 1 23 23 LYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 24 LYS HB3 . . A . 23 SER HA . . . 24 . HB* . . . . . 23 . HA . . rr_1j5l 1
181 2 OR . 1 1 23 23 LYS HB2 H . . . 1 1 22 22 SER HA H . . . . . 5.5 1.8 5.5 . . . . . A . 24 LYS HB2 . . A . 23 SER HA . . . 24 . HB* . . . . . 23 . HA . . rr_1j5l 1
182 1 . . 1 1 20 20 THR MG H . . . 1 1 21 21 CYS HA H . . . . . 6.0 1.8 6.0 . . . . . A . 21 THR MG . . A . 22 CYS HA . . . 21 . HG2* . . . . . 22 . HA . . rr_1j5l 1
183 1 . . 1 1 19 19 LYS H H . . . 1 1 21 21 CYS H H . . . . . 5.5 1.8 5.5 . . . . . A . 20 LYS H . . A . 22 CYS H . . . 20 . HN . . . . . 22 . HN . . rr_1j5l 1
184 1 . . 1 1 28 28 CYS H H . . . 1 1 26 26 SER H H . . . . . 5.5 1.8 5.5 . . . . . A . 29 CYS H . . A . 27 SER H . . . 29 . HN . . . . . 27 . HN . . rr_1j5l 1
185 1 . . 1 1 4 4 LYS H H . . . 1 1 3 3 GLU H H . . . . . 5.5 1.8 5.5 . . . . . A . 4 GLU H . . A . 5 LYS H . . . 4 . HN . . . . . 5 . HN . . rr_1j5l 1
186 1 . . 1 1 17 17 CYS HB2 H . . . 1 1 11 11 CYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 18 CYS HB2 . . A . 12 CYS HB2 . . . 18 . HB2 . . . . . 12 . HB2 . . rr_1j5l 1
187 1 . . 1 1 21 21 CYS HA H . . . 1 1 21 21 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 22 CYS HA . . A . 22 CYS HB2 . . . 22 . HA . . . . . 22 . HB2 . . rr_1j5l 1
188 1 . . 1 1 23 23 LYS HA H . . . 1 1 24 24 PRO HD3 H . . . . . 2.7 1.8 2.7 . . . . . A . 24 LYS HA . . A . 25 PRO HD3 . . . 24 . HA . . . . . 25 . HD1 . . rr_1j5l 1
189 1 . . 1 1 17 17 CYS HB3 H . . . 1 1 17 17 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 18 CYS HA . . A . 18 CYS HB3 . . . 18 . HA . . . . . 18 . HB1 . . rr_1j5l 1
190 1 . . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 3 CYS HA . . A . 3 CYS HB3 . . . 3 . HA . . . . . 3 . HB1 . . rr_1j5l 1
191 1 . . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 3 CYS HA . . A . 3 CYS HB2 . . . 3 . HA . . . . . 3 . HB2 . . rr_1j5l 1
192 1 . . 1 1 11 11 CYS HA H . . . 1 1 12 12 PRO HD3 H . . . . . 2.7 1.8 2.7 . . . . . A . 12 CYS HA . . A . 13 PRO HD3 . . . 12 . HA . . . . . 13 . HD1 . . rr_1j5l 1
193 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 12 CYS HA . . A . 12 CYS HB2 . . . 12 . HA . . . . . 12 . HB2 . . rr_1j5l 1
194 1 . . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HA . . A . 11 LYS HB3 . . . 11 . HA . . . . . 11 . HB1 . . rr_1j5l 1
195 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 14 SER HA . . A . 14 SER HB2 . . . 14 . HA . . . . . 14 . HB2 . . rr_1j5l 1
196 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 6 CYS HA . . A . 6 CYS HB2 . . . 6 . HA . . . . . 6 . HB2 . . rr_1j5l 1
197 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 24 LYS HA . . A . 24 LYS HB3 . . . 24 . HA . . . . . 24 . HB1 . . rr_1j5l 1
198 1 OR . 1 1 27 27 CYS HA H . . . 1 1 27 27 CYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 28 CYS HA . . A . 28 CYS HB2 . . . 28 . HA . . . . . 28 . HB* . . rr_1j5l 1
198 2 OR . 1 1 27 27 CYS HB3 H . . . 1 1 27 27 CYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 28 CYS HA . . A . 28 CYS HB3 . . . 28 . HA . . . . . 28 . HB* . . rr_1j5l 1
199 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 24 LYS HA . . A . 24 LYS HB2 . . . 24 . HA . . . . . 24 . HB2 . . rr_1j5l 1
200 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HA . . A . 11 LYS HG2 . . . 11 . HA . . . . . 11 . HG* . . rr_1j5l 1
200 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HA H . . . . . 2.7 1.8 2.7 . . . . . A . 11 LYS HA . . A . 11 LYS HG3 . . . 11 . HA . . . . . 11 . HG* . . rr_1j5l 1
201 1 OR . 1 1 20 20 THR MG H . . . 1 1 20 20 THR HB H . . . . . 3.2 1.8 3.2 . . . . . A . 21 THR HB . . A . 21 THR MG . . . 21 . HB . . . . . 21 . HG* . . rr_1j5l 1
201 2 OR . 1 1 20 20 THR HB H . . . 1 1 20 20 THR HG1 H . . . . . 3.2 1.8 3.2 . . . . . A . 21 THR HB . . A . 21 THR HG1 . . . 21 . HB . . . . . 21 . HG* . . rr_1j5l 1
202 1 . . 1 1 13 13 SER HA H . . . 1 1 29 29 PRO HG3 H . . . . . 3.6 2.7 4.5 . . . . . A . 14 SER HA . . A . 30 PRO HG3 . . . 14 . HA . . . . . 30 . HG1 . . rr_1j5l 1
203 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HA H . . . . . 3.2 1.8 3.2 . . . . . A . 11 LYS HA . . A . 11 LYS HB2 . . . 11 . HA . . . . . 11 . HB2 . . rr_1j5l 1
204 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 11 11 CYS HA H . . . . . 3.2 1.8 3.2 . . . . . A . 12 CYS HA . . A . 12 CYS HB3 . . . 12 . HA . . . . . 12 . HB1 . . rr_1j5l 1
205 1 . . 1 1 20 20 THR HB H . . . 1 1 17 17 CYS HA H . . . . . 3.6 1.8 3.6 . . . . . A . 18 CYS HA . . A . 21 THR HB . . . 18 . HA . . . . . 21 . HB . . rr_1j5l 1
206 1 . . 1 1 28 28 CYS HA H . . . 1 1 29 29 PRO HD3 H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS HA . . A . 30 PRO HD3 . . . 29 . HA . . . . . 30 . HD1 . . rr_1j5l 1
207 1 . . 1 1 19 19 LYS HB3 H . . . 1 1 17 17 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 18 CYS HA . . A . 20 LYS HB3 . . . 18 . HA . . . . . 20 . HB1 . . rr_1j5l 1
208 1 . . 1 1 17 17 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 18 CYS HA . . A . 12 CYS HB2 . . . 18 . HA . . . . . 12 . HB2 . . rr_1j5l 1
209 1 . . 1 1 17 17 CYS HB2 H . . . 1 1 17 17 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 18 CYS HA . . A . 18 CYS HB2 . . . 18 . HA . . . . . 18 . HB2 . . rr_1j5l 1
210 1 . . 1 1 29 29 PRO HD2 H . . . 1 1 28 28 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS HA . . A . 30 PRO HD2 . . . 29 . HA . . . . . 30 . HD2 . . rr_1j5l 1
211 1 . . 1 1 28 28 CYS HB2 H . . . 1 1 28 28 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS HA . . A . 29 CYS HB2 . . . 29 . HA . . . . . 29 . HB2 . . rr_1j5l 1
212 1 . . 1 1 25 25 CYS HB2 H . . . 1 1 1 1 PRO HA H . . . . . 4.5 1.8 4.5 . . . . . A . 2 PRO HA . . A . 26 CYS HB2 . . . 2 . HA . . . . . 26 . HB2 . . rr_1j5l 1
213 1 . . 1 1 22 22 SER HA H . . . 1 1 22 22 SER HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 23 SER HA . . A . 23 SER HB3 . . . 23 . HA . . . . . 23 . HB1 . . rr_1j5l 1
214 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 SER HA . . A . 14 SER HB3 . . . 14 . HA . . . . . 14 . HB1 . . rr_1j5l 1
215 1 . . 1 1 11 11 CYS HA H . . . 1 1 14 14 LYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 12 CYS HA . . A . 15 LYS HA . . . 12 . HA . . . . . 15 . HA . . rr_1j5l 1
216 1 . . 1 1 13 13 SER HA H . . . 1 1 14 14 LYS HA H . . . . . 5.5 1.8 5.5 . . . . . A . 15 LYS HA . . A . 14 SER HA . . . 15 . HA . . . . . 14 . HA . . rr_1j5l 1
217 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 21 21 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS HA . . A . 26 CYS HB3 . . . 22 . HA . . . . . 26 . HB1 . . rr_1j5l 1
218 1 . . 1 1 26 26 SER HA H . . . 1 1 26 26 SER HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 27 SER HA . . A . 27 SER HB3 . . . 27 . HA . . . . . 27 . HB1 . . rr_1j5l 1
219 1 . . 1 1 13 13 SER HA H . . . 1 1 29 29 PRO HG2 H . . . . . 5.5 1.8 5.5 . . . . . A . 14 SER HA . . A . 30 PRO HG2 . . . 14 . HA . . . . . 30 . HG2 . . rr_1j5l 1
220 1 . . 1 1 29 29 PRO HA H . . . 1 1 29 29 PRO HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 30 PRO HA . . A . 30 PRO HB3 . . . 30 . HA . . . . . 30 . HB1 . . rr_1j5l 1
221 1 . . 1 1 29 29 PRO HA H . . . 1 1 29 29 PRO HD3 H . . . . . 4.5 1.8 4.5 . . . . . A . 30 PRO HA . . A . 30 PRO HD3 . . . 30 . HA . . . . . 30 . HD1 . . rr_1j5l 1
222 1 . . 1 1 5 5 CYS HA H . . . 1 1 7 7 SER HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 6 CYS HA . . A . 8 SER HB2 . . . 6 . HA . . . . . 8 . HB2 . . rr_1j5l 1
223 1 . . 1 1 24 24 PRO HA H . . . 1 1 23 23 LYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 24 LYS HA . . A . 25 PRO HA . . . 24 . HA . . . . . 25 . HA . . rr_1j5l 1
224 1 OR . 1 1 23 23 LYS HA H . . . 1 1 24 24 PRO HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 24 LYS HA . . A . 25 PRO HG2 . . . 24 . HA . . . . . 25 . HG* . . rr_1j5l 1
224 2 OR . 1 1 23 23 LYS HA H . . . 1 1 24 24 PRO HG3 H . . . . . 4.5 1.8 4.5 . . . . . A . 24 LYS HA . . A . 25 PRO HG3 . . . 24 . HA . . . . . 25 . HG* . . rr_1j5l 1
225 1 . . 1 1 22 22 SER HB2 H . . . 1 1 22 22 SER HA H . . . . . 4.5 1.8 4.5 . . . . . A . 23 SER HA . . A . 23 SER HB2 . . . 23 . HA . . . . . 23 . HB2 . . rr_1j5l 1
226 1 . . 1 1 13 13 SER HA H . . . 1 1 29 29 PRO HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 SER HA . . A . 30 PRO HB3 . . . 14 . HA . . . . . 30 . HB1 . . rr_1j5l 1
227 1 . . 1 1 28 28 CYS HB3 H . . . 1 1 28 28 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 29 CYS HA . . A . 29 CYS HB3 . . . 29 . HA . . . . . 29 . HB1 . . rr_1j5l 1
228 1 . . 1 1 20 20 THR MG H . . . 1 1 21 21 CYS HA H . . . . . 5.5 2.3 5.5 . . . . . A . 22 CYS HA . . A . 21 THR MG . . . 22 . HA . . . . . 21 . HG2* . . rr_1j5l 1
229 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HG2 H . . . . . 4.5 1.8 4.5 . . . . . A . 24 LYS HA . . A . 24 LYS HG2 . . . 24 . HA . . . . . 24 . HG2 . . rr_1j5l 1
230 1 . . 1 1 20 20 THR MG H . . . 1 1 17 17 CYS HA H . . . . . 5.0 1.8 5.0 . . . . . A . 18 CYS HA . . A . 21 THR MG . . . 18 . HA . . . . . 21 . HG2* . . rr_1j5l 1
231 1 . . 1 1 21 21 CYS HA H . . . 1 1 22 22 SER HA H . . . . . 4.5 1.8 4.5 . . . . . A . 22 CYS HA . . A . 23 SER HA . . . 22 . HA . . . . . 23 . HA . . rr_1j5l 1
232 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . 4.5 1.8 4.5 . . . . . A . 11 LYS HA . . A . 11 LYS HD2 . . . 11 . HA . . . . . 11 . HD* . . rr_1j5l 1
232 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 11 LYS HA . . A . 11 LYS HD3 . . . 11 . HA . . . . . 11 . HD* . . rr_1j5l 1
233 1 . . 1 1 22 22 SER HA H . . . 1 1 23 23 LYS HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 23 SER HA . . A . 24 LYS HB3 . . . 23 . HA . . . . . 24 . HB1 . . rr_1j5l 1
234 1 . . 1 1 18 18 ALA MB H . . . 1 1 15 15 ASP HA H . . . . . 5.0 1.8 5.0 . . . . . A . 16 ASP HA . . A . 19 ALA MB . . . 16 . HA . . . . . 19 . HB* . . rr_1j5l 1
235 1 . . 1 1 4 4 LYS HB3 H . . . 1 1 5 5 CYS HA H . . . . . 4.5 1.8 4.5 . . . . . A . 6 CYS HA . . A . 5 LYS HB3 . . . 6 . HA . . . . . 5 . HB1 . . rr_1j5l 1
236 1 . . 1 1 28 28 CYS HB3 H . . . 1 1 11 11 CYS HB2 H . . . . . 3.2 1.8 3.2 . . . . . A . 12 CYS HB2 . . A . 29 CYS HB3 . . . 12 . HB2 . . . . . 29 . HB1 . . rr_1j5l 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
;NOE distant restraints
very strong NOE 2.7 0.9 0.0
strong NOE 3.2 1.4 0.0
medium NOE 3.6 1.8 0.0
weak NOE 4.5 2.7 0.0
very weak NOE 5.5 3.7 0.0
;
1 1 7 30 rr_1j5l 1
2 "added 0.5 A pseudoatom correction 09/15/2000" 66 71 66 117 rr_1j5l 1
3 "!!assign ( resid 24 and name HN )(resid 25 and name HA ) 4.500 2.7 0.000" 104 1 104 74 rr_1j5l 1
4 "!! changed from 4.5 A" 142 74 142 96 rr_1j5l 1
5 !strong:noed2o_10 203 83 203 101 rr_1j5l 1
6 !strong:noed2o_10 204 83 204 101 rr_1j5l 1
7 !strong:noed2o_10 205 83 205 101 rr_1j5l 1
8 !strong:noed2o_10 206 83 206 101 rr_1j5l 1
9 !strong:noed2o_10 207 83 207 101 rr_1j5l 1
10 !strong:noed2o_10 208 83 208 101 rr_1j5l 1
11 !strong:noed2o_10 209 83 209 101 rr_1j5l 1
12 !strong:noed2o_10 210 83 210 101 rr_1j5l 1
13 !strong:noed2o_10 211 83 211 101 rr_1j5l 1
14 !strong:noed2o_10 212 83 212 101 rr_1j5l 1
15 !strong:noed2o_10 213 83 213 101 rr_1j5l 1
16 !strong:noed2o_10 214 83 214 101 rr_1j5l 1
17 !strong:noed2o_10 215 83 215 101 rr_1j5l 1
18 !strong:noed2o_10 216 83 216 101 rr_1j5l 1
19 !medium:noed2o_10 218 83 218 102 rr_1j5l 1
20 !medium:noed2o_10 219 83 219 101 rr_1j5l 1
21 !medium:noed2o_10 220 83 220 101 rr_1j5l 1
22 !strong:noed2o_20 221 82 221 100 rr_1j5l 1
23 !strong:noed2o_20 222 83 222 101 rr_1j5l 1
24 !strong:noed2o_20 223 83 223 101 rr_1j5l 1
25 !strong:noed2o_20 224 83 224 101 rr_1j5l 1
26 !strong:noed2o_20 225 83 225 101 rr_1j5l 1
27 !strong:noed2o_20 226 83 226 101 rr_1j5l 1
28 !strong:noed2o_2O 227 83 227 101 rr_1j5l 1
29 "!strong:noed2o_20 ! changed from 23 HA 22 HB2" 228 82 228 128 rr_1j5l 1
30 !strong:noed2o_20 229 83 229 101 rr_1j5l 1
31 !strong:noed2o_20 230 83 230 101 rr_1j5l 1
32 "!strong:noed2o_20 ! increased limits" 231 82 231 119 rr_1j5l 1
33 "!strong:noed2o_20 ! increased limits" 232 82 232 119 rr_1j5l 1
34 !strong:noed2o_20 233 83 233 101 rr_1j5l 1
35 !strong:noed2o_20 234 83 234 101 rr_1j5l 1
36 "!strong:noed2o_20 increased due to mobility" 235 83 235 127 rr_1j5l 1
37 "!strong:noed2o_20 ambiguity ?" 236 83 236 113 rr_1j5l 1
38 !strong:noed2o_20 237 83 237 101 rr_1j5l 1
39 !strong:noed2o_20 238 83 238 101 rr_1j5l 1
40 !strong:noed2o_20 239 82 239 100 rr_1j5l 1
41 "!strong:noed2o_20 ambiguity ?" 240 83 240 113 rr_1j5l 1
42 !strong:noed2o_20 241 83 241 101 rr_1j5l 1
43 "!strong:noed2o_20 ambiguity ?" 242 83 242 113 rr_1j5l 1
44 !strong:noed2o_20 243 83 243 101 rr_1j5l 1
45 !strong:noed2o_20 244 84 244 102 rr_1j5l 1
46 !strong:noed2o_20 245 83 245 101 rr_1j5l 1
47 weak 246 83 246 88 rr_1j5l 1
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_1j5l
_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_1j5l 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 2 . OR rr_1j5l 1
1 2 . 3 . rr_1j5l 1
1 3 . 4 . rr_1j5l 1
1 4 . 5 . rr_1j5l 1
1 5 . . . rr_1j5l 1
2 1 2 . OR rr_1j5l 1
2 2 . 3 . rr_1j5l 1
2 3 . . . rr_1j5l 1
3 1 . . . rr_1j5l 1
4 1 . . . rr_1j5l 1
5 1 . . . rr_1j5l 1
6 1 . . . rr_1j5l 1
7 1 . . . rr_1j5l 1
8 1 . . . rr_1j5l 1
9 1 . . . rr_1j5l 1
10 1 . . . rr_1j5l 1
11 1 . . . rr_1j5l 1
12 1 . . . rr_1j5l 1
13 1 . . . rr_1j5l 1
14 1 . . . rr_1j5l 1
15 1 . . . rr_1j5l 1
16 1 2 . OR rr_1j5l 1
16 2 . 3 . rr_1j5l 1
16 3 . . . rr_1j5l 1
17 1 . . . rr_1j5l 1
18 1 . . . rr_1j5l 1
19 1 . . . rr_1j5l 1
20 1 . . . rr_1j5l 1
21 1 . . . rr_1j5l 1
22 1 2 . OR rr_1j5l 1
22 2 . 3 . rr_1j5l 1
22 3 . . . rr_1j5l 1
23 1 . . . rr_1j5l 1
24 1 . . . rr_1j5l 1
25 1 . . . rr_1j5l 1
26 1 . . . rr_1j5l 1
27 1 2 . OR rr_1j5l 1
27 2 . 3 . rr_1j5l 1
27 3 . . . rr_1j5l 1
28 1 . . . rr_1j5l 1
29 1 . . . rr_1j5l 1
30 1 . . . rr_1j5l 1
31 1 . . . rr_1j5l 1
32 1 . . . rr_1j5l 1
33 1 . . . rr_1j5l 1
34 1 . . . rr_1j5l 1
35 1 . . . rr_1j5l 1
36 1 . . . rr_1j5l 1
37 1 . . . rr_1j5l 1
38 1 2 . OR rr_1j5l 1
38 2 . 3 . rr_1j5l 1
38 3 . . . rr_1j5l 1
39 1 . . . rr_1j5l 1
40 1 . . . rr_1j5l 1
41 1 . . . rr_1j5l 1
42 1 . . . rr_1j5l 1
43 1 . . . rr_1j5l 1
44 1 . . . rr_1j5l 1
45 1 . . . rr_1j5l 1
46 1 . . . rr_1j5l 1
47 1 . . . rr_1j5l 1
48 1 . . . rr_1j5l 1
49 1 . . . rr_1j5l 1
50 1 . . . rr_1j5l 1
51 1 . . . rr_1j5l 1
52 1 . . . rr_1j5l 1
53 1 . . . rr_1j5l 1
54 1 2 . OR rr_1j5l 1
54 2 . 3 . rr_1j5l 1
54 3 . . . rr_1j5l 1
55 1 . . . rr_1j5l 1
56 1 2 . OR rr_1j5l 1
56 2 . 3 . rr_1j5l 1
56 3 . . . rr_1j5l 1
57 1 . . . rr_1j5l 1
58 1 . . . rr_1j5l 1
59 1 2 . OR rr_1j5l 1
59 2 . 3 . rr_1j5l 1
59 3 . . . rr_1j5l 1
60 1 . . . rr_1j5l 1
61 1 . . . rr_1j5l 1
62 1 . . . rr_1j5l 1
63 1 . . . rr_1j5l 1
64 1 2 . OR rr_1j5l 1
64 2 . 3 . rr_1j5l 1
64 3 . . . rr_1j5l 1
65 1 . . . rr_1j5l 1
66 1 . . . rr_1j5l 1
67 1 2 . OR rr_1j5l 1
67 2 . 3 . rr_1j5l 1
67 3 . . . rr_1j5l 1
68 1 . . . rr_1j5l 1
69 1 . . . rr_1j5l 1
70 1 . . . rr_1j5l 1
71 1 2 . OR rr_1j5l 1
71 2 . 3 . rr_1j5l 1
71 3 . . . rr_1j5l 1
72 1 2 . OR rr_1j5l 1
72 2 . 3 . rr_1j5l 1
72 3 . . . rr_1j5l 1
73 1 . . . rr_1j5l 1
74 1 2 . OR rr_1j5l 1
74 2 . 3 . rr_1j5l 1
74 3 . . . rr_1j5l 1
75 1 . . . rr_1j5l 1
76 1 . . . rr_1j5l 1
77 1 . . . rr_1j5l 1
78 1 . . . rr_1j5l 1
79 1 . . . rr_1j5l 1
80 1 . . . rr_1j5l 1
81 1 . . . rr_1j5l 1
82 1 . . . rr_1j5l 1
83 1 . . . rr_1j5l 1
84 1 . . . rr_1j5l 1
85 1 . . . rr_1j5l 1
86 1 . . . rr_1j5l 1
87 1 . . . rr_1j5l 1
88 1 . . . rr_1j5l 1
89 1 . . . rr_1j5l 1
90 1 . . . rr_1j5l 1
91 1 . . . rr_1j5l 1
92 1 2 . OR rr_1j5l 1
92 2 . 3 . rr_1j5l 1
92 3 . . . rr_1j5l 1
93 1 . . . rr_1j5l 1
94 1 2 . OR rr_1j5l 1
94 2 . 3 . rr_1j5l 1
94 3 . . . rr_1j5l 1
95 1 . . . rr_1j5l 1
96 1 . . . rr_1j5l 1
97 1 . . . rr_1j5l 1
98 1 . . . rr_1j5l 1
99 1 . . . rr_1j5l 1
100 1 . . . rr_1j5l 1
101 1 . . . rr_1j5l 1
102 1 . . . rr_1j5l 1
103 1 . . . rr_1j5l 1
104 1 . . . rr_1j5l 1
105 1 . . . rr_1j5l 1
106 1 . . . rr_1j5l 1
107 1 . . . rr_1j5l 1
108 1 . . . rr_1j5l 1
109 1 . . . rr_1j5l 1
110 1 . . . rr_1j5l 1
111 1 . . . rr_1j5l 1
112 1 . . . rr_1j5l 1
113 1 . . . rr_1j5l 1
114 1 . . . rr_1j5l 1
115 1 . . . rr_1j5l 1
116 1 . . . rr_1j5l 1
117 1 . . . rr_1j5l 1
118 1 . . . rr_1j5l 1
119 1 . . . rr_1j5l 1
120 1 . . . rr_1j5l 1
121 1 . . . rr_1j5l 1
122 1 . . . rr_1j5l 1
123 1 . . . rr_1j5l 1
124 1 . . . rr_1j5l 1
125 1 . . . rr_1j5l 1
126 1 . . . rr_1j5l 1
127 1 . . . rr_1j5l 1
128 1 . . . rr_1j5l 1
129 1 2 . OR rr_1j5l 1
129 2 . 3 . rr_1j5l 1
129 3 . . . rr_1j5l 1
130 1 . . . rr_1j5l 1
131 1 . . . rr_1j5l 1
132 1 . . . rr_1j5l 1
133 1 . . . rr_1j5l 1
134 1 . . . rr_1j5l 1
135 1 . . . rr_1j5l 1
136 1 . . . rr_1j5l 1
137 1 . . . rr_1j5l 1
138 1 . . . rr_1j5l 1
139 1 . . . rr_1j5l 1
140 1 2 . OR rr_1j5l 1
140 2 . 3 . rr_1j5l 1
140 3 . . . rr_1j5l 1
141 1 . . . rr_1j5l 1
142 1 . . . rr_1j5l 1
143 1 . . . rr_1j5l 1
144 1 . . . rr_1j5l 1
145 1 . . . rr_1j5l 1
146 1 . . . rr_1j5l 1
147 1 2 . OR rr_1j5l 1
147 2 . 3 . rr_1j5l 1
147 3 . . . rr_1j5l 1
148 1 . . . rr_1j5l 1
149 1 . . . rr_1j5l 1
150 1 . . . rr_1j5l 1
151 1 . . . rr_1j5l 1
152 1 . . . rr_1j5l 1
153 1 . . . rr_1j5l 1
154 1 . . . rr_1j5l 1
155 1 . . . rr_1j5l 1
156 1 . . . rr_1j5l 1
157 1 . . . rr_1j5l 1
158 1 . . . rr_1j5l 1
159 1 . . . rr_1j5l 1
160 1 . . . rr_1j5l 1
161 1 . . . rr_1j5l 1
162 1 . . . rr_1j5l 1
163 1 . . . rr_1j5l 1
164 1 . . . rr_1j5l 1
165 1 2 . OR rr_1j5l 1
165 2 . 3 . rr_1j5l 1
165 3 . . . rr_1j5l 1
166 1 . . . rr_1j5l 1
167 1 2 . OR rr_1j5l 1
167 2 . 3 . rr_1j5l 1
167 3 . . . rr_1j5l 1
168 1 . . . rr_1j5l 1
169 1 . . . rr_1j5l 1
170 1 . . . rr_1j5l 1
171 1 . . . rr_1j5l 1
172 1 . . . rr_1j5l 1
173 1 . . . rr_1j5l 1
174 1 . . . rr_1j5l 1
175 1 . . . rr_1j5l 1
176 1 . . . rr_1j5l 1
177 1 . . . rr_1j5l 1
178 1 . . . rr_1j5l 1
179 1 . . . rr_1j5l 1
180 1 . . . rr_1j5l 1
181 1 2 . OR rr_1j5l 1
181 2 . 3 . rr_1j5l 1
181 3 . . . rr_1j5l 1
182 1 . . . rr_1j5l 1
183 1 . . . rr_1j5l 1
184 1 . . . rr_1j5l 1
185 1 . . . rr_1j5l 1
186 1 . . . rr_1j5l 1
187 1 . . . rr_1j5l 1
188 1 . . . rr_1j5l 1
189 1 . . . rr_1j5l 1
190 1 . . . rr_1j5l 1
191 1 . . . rr_1j5l 1
192 1 . . . rr_1j5l 1
193 1 . . . rr_1j5l 1
194 1 . . . rr_1j5l 1
195 1 . . . rr_1j5l 1
196 1 . . . rr_1j5l 1
197 1 . . . rr_1j5l 1
198 1 2 . OR rr_1j5l 1
198 2 . 3 . rr_1j5l 1
198 3 . . . rr_1j5l 1
199 1 . . . rr_1j5l 1
200 1 2 . OR rr_1j5l 1
200 2 . 3 . rr_1j5l 1
200 3 . . . rr_1j5l 1
201 1 2 . OR rr_1j5l 1
201 2 . 3 . rr_1j5l 1
201 3 . . . rr_1j5l 1
202 1 . . . rr_1j5l 1
203 1 . . . rr_1j5l 1
204 1 . . . rr_1j5l 1
205 1 . . . rr_1j5l 1
206 1 . . . rr_1j5l 1
207 1 . . . rr_1j5l 1
208 1 . . . rr_1j5l 1
209 1 . . . rr_1j5l 1
210 1 . . . rr_1j5l 1
211 1 . . . rr_1j5l 1
212 1 . . . rr_1j5l 1
213 1 . . . rr_1j5l 1
214 1 . . . rr_1j5l 1
215 1 . . . rr_1j5l 1
216 1 . . . rr_1j5l 1
217 1 . . . rr_1j5l 1
218 1 . . . rr_1j5l 1
219 1 . . . rr_1j5l 1
220 1 . . . rr_1j5l 1
221 1 . . . rr_1j5l 1
222 1 . . . rr_1j5l 1
223 1 . . . rr_1j5l 1
224 1 2 . OR rr_1j5l 1
224 2 . 3 . rr_1j5l 1
224 3 . . . rr_1j5l 1
225 1 . . . rr_1j5l 1
226 1 . . . rr_1j5l 1
227 1 . . . rr_1j5l 1
228 1 . . . rr_1j5l 1
229 1 . . . rr_1j5l 1
230 1 . . . rr_1j5l 1
231 1 . . . rr_1j5l 1
232 1 2 . OR rr_1j5l 1
232 2 . 3 . rr_1j5l 1
232 3 . . . rr_1j5l 1
233 1 . . . rr_1j5l 1
234 1 . . . rr_1j5l 1
235 1 . . . rr_1j5l 1
236 1 . . . rr_1j5l 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 2 . 1 . 1 1 10 10 LYS HG2 H . . . . 11 . HG* rr_1j5l 1
1 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 11 . HD* rr_1j5l 1
1 3 . 1 . 1 1 10 10 LYS HG2 H . . . . 11 . HG* rr_1j5l 1
1 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 11 . HD* rr_1j5l 1
1 4 . 1 . 1 1 10 10 LYS HG3 H . . . . 11 . HG* rr_1j5l 1
1 4 . 2 . 1 1 10 10 LYS HD2 H . . . . 11 . HD* rr_1j5l 1
1 5 . 1 . 1 1 10 10 LYS HG3 H . . . . 11 . HG* rr_1j5l 1
1 5 . 2 . 1 1 10 10 LYS HD3 H . . . . 11 . HD* rr_1j5l 1
2 2 . 1 . 1 1 23 23 LYS HG3 H . . . . 24 . HG1 rr_1j5l 1
2 2 . 2 . 1 1 23 23 LYS HD3 H . . . . 24 . HD* rr_1j5l 1
2 3 . 1 . 1 1 23 23 LYS HG3 H . . . . 24 . HG1 rr_1j5l 1
2 3 . 2 . 1 1 23 23 LYS HD2 H . . . . 24 . HD* rr_1j5l 1
3 1 . 1 . 1 1 22 22 SER HB2 H . . . . 23 . HB2 rr_1j5l 1
3 1 . 2 . 1 1 23 23 LYS HD2 H . . . . 24 . HD2 rr_1j5l 1
4 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
4 1 . 2 . 1 1 2 2 CYS HA H . . . . 3 . HA rr_1j5l 1
5 1 . 1 . 1 1 4 4 LYS HB3 H . . . . 5 . HB1 rr_1j5l 1
5 1 . 2 . 1 1 4 4 LYS HA H . . . . 5 . HA rr_1j5l 1
6 1 . 1 . 1 1 18 18 ALA MB H . . . . 19 . HB* rr_1j5l 1
6 1 . 2 . 1 1 18 18 ALA HA H . . . . 19 . HA rr_1j5l 1
7 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
7 1 . 2 . 1 1 24 24 PRO HA H . . . . 25 . HA rr_1j5l 1
8 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
8 1 . 2 . 1 1 29 29 PRO HA H . . . . 30 . HA rr_1j5l 1
9 1 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
9 1 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
10 1 . 1 . 1 1 4 4 LYS HB2 H . . . . 5 . HB2 rr_1j5l 1
10 1 . 2 . 1 1 3 3 GLU HB3 H . . . . 4 . HB1 rr_1j5l 1
11 1 . 1 . 1 1 3 3 GLU HB2 H . . . . 4 . HB2 rr_1j5l 1
11 1 . 2 . 1 1 3 3 GLU HA H . . . . 4 . HA rr_1j5l 1
12 1 . 1 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
12 1 . 2 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
13 1 . 1 . 1 1 11 11 CYS H H . . . . 12 . HN rr_1j5l 1
13 1 . 2 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
14 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
14 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 29 . HB1 rr_1j5l 1
15 1 . 1 . 1 1 4 4 LYS HB3 H . . . . 5 . HB1 rr_1j5l 1
15 1 . 2 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
16 2 . 1 . 1 1 16 16 GLU HB2 H . . . . 17 . HB* rr_1j5l 1
16 2 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
16 3 . 1 . 1 1 16 16 GLU HB3 H . . . . 17 . HB* rr_1j5l 1
16 3 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
17 1 . 1 . 1 1 29 29 PRO HD2 H . . . . 30 . HD2 rr_1j5l 1
17 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 29 . HB2 rr_1j5l 1
18 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
18 1 . 2 . 1 1 18 18 ALA MB H . . . . 19 . HB* rr_1j5l 1
19 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
19 1 . 2 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
20 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
20 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 26 . HB1 rr_1j5l 1
21 1 . 1 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
21 1 . 2 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
22 2 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
22 2 . 2 . 1 1 16 16 GLU HB2 H . . . . 17 . HB* rr_1j5l 1
22 3 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
22 3 . 2 . 1 1 16 16 GLU HB3 H . . . . 17 . HB* rr_1j5l 1
23 1 . 1 . 1 1 11 11 CYS H H . . . . 12 . HN rr_1j5l 1
23 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 12 . HB1 rr_1j5l 1
24 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
24 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
25 1 . 1 . 1 1 16 16 GLU HG2 H . . . . 17 . HG2 rr_1j5l 1
25 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
26 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
26 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 18 . HB2 rr_1j5l 1
27 2 . 1 . 1 1 9 9 CYS HB2 H . . . . 10 . HB* rr_1j5l 1
27 2 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
27 3 . 1 . 1 1 9 9 CYS HB3 H . . . . 10 . HB* rr_1j5l 1
27 3 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
28 1 . 1 . 1 1 19 19 LYS HG3 H . . . . 20 . HG1 rr_1j5l 1
28 1 . 2 . 1 1 19 19 LYS HB3 H . . . . 20 . HB1 rr_1j5l 1
29 1 . 1 . 1 1 29 29 PRO HD2 H . . . . 30 . HD2 rr_1j5l 1
29 1 . 2 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
30 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
30 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 6 . HB1 rr_1j5l 1
31 1 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
31 1 . 2 . 1 1 4 4 LYS HB3 H . . . . 5 . HB1 rr_1j5l 1
32 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
32 1 . 2 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
33 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
33 1 . 2 . 1 1 19 19 LYS HG3 H . . . . 20 . HG1 rr_1j5l 1
34 1 . 1 . 1 1 9 9 CYS H H . . . . 10 . HN rr_1j5l 1
34 1 . 2 . 1 1 8 8 GLY HA2 H . . . . 9 . HA2 rr_1j5l 1
35 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
35 1 . 2 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
36 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
36 1 . 2 . 1 1 19 19 LYS HB2 H . . . . 20 . HB2 rr_1j5l 1
37 1 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
37 1 . 2 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
38 2 . 1 . 1 1 9 9 CYS H H . . . . 10 . HN rr_1j5l 1
38 2 . 2 . 1 1 9 9 CYS HB2 H . . . . 10 . HB* rr_1j5l 1
38 3 . 1 . 1 1 9 9 CYS H H . . . . 10 . HN rr_1j5l 1
38 3 . 2 . 1 1 9 9 CYS HB3 H . . . . 10 . HB* rr_1j5l 1
39 1 . 1 . 1 1 8 8 GLY H H . . . . 9 . HN rr_1j5l 1
39 1 . 2 . 1 1 8 8 GLY HA3 H . . . . 9 . HA1 rr_1j5l 1
40 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
40 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 18 . HB2 rr_1j5l 1
41 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
41 1 . 2 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
42 1 . 1 . 1 1 8 8 GLY H H . . . . 9 . HN rr_1j5l 1
42 1 . 2 . 1 1 8 8 GLY HA2 H . . . . 9 . HA2 rr_1j5l 1
43 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
43 1 . 2 . 1 1 2 2 CYS HB2 H . . . . 3 . HB2 rr_1j5l 1
44 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
44 1 . 2 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
45 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
45 1 . 2 . 1 1 21 21 CYS HB3 H . . . . 22 . HB1 rr_1j5l 1
46 1 . 1 . 1 1 23 23 LYS H H . . . . 24 . HN rr_1j5l 1
46 1 . 2 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
47 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
47 1 . 2 . 1 1 6 6 THR HB H . . . . 7 . HB rr_1j5l 1
48 1 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
48 1 . 2 . 1 1 16 16 GLU HG2 H . . . . 17 . HG2 rr_1j5l 1
49 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
49 1 . 2 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
50 1 . 1 . 1 1 21 21 CYS HB3 H . . . . 22 . HB1 rr_1j5l 1
50 1 . 2 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
51 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
51 1 . 2 . 1 1 18 18 ALA HA H . . . . 19 . HA rr_1j5l 1
52 1 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
52 1 . 2 . 1 1 10 10 LYS HB2 H . . . . 11 . HB2 rr_1j5l 1
53 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
53 1 . 2 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
54 2 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
54 2 . 2 . 1 1 15 15 ASP HB2 H . . . . 16 . HB* rr_1j5l 1
54 3 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
54 3 . 2 . 1 1 15 15 ASP HB3 H . . . . 16 . HB* rr_1j5l 1
55 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
55 1 . 2 . 1 1 18 18 ALA HA H . . . . 19 . HA rr_1j5l 1
56 2 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
56 2 . 2 . 1 1 27 27 CYS HB2 H . . . . 28 . HB* rr_1j5l 1
56 3 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
56 3 . 2 . 1 1 27 27 CYS HB3 H . . . . 28 . HB* rr_1j5l 1
57 1 . 1 . 1 1 11 11 CYS H H . . . . 12 . HN rr_1j5l 1
57 1 . 2 . 1 1 11 11 CYS HA H . . . . 12 . HA rr_1j5l 1
58 1 . 1 . 1 1 6 6 THR HA H . . . . 7 . HA rr_1j5l 1
58 1 . 2 . 1 1 6 6 THR HB H . . . . 7 . HB rr_1j5l 1
59 2 . 1 . 1 1 5 5 CYS HB3 H . . . . 6 . HB1 rr_1j5l 1
59 2 . 2 . 1 1 1 1 PRO HB2 H . . . . 2 . HB* rr_1j5l 1
59 3 . 1 . 1 1 5 5 CYS HB3 H . . . . 6 . HB1 rr_1j5l 1
59 3 . 2 . 1 1 1 1 PRO HB3 H . . . . 2 . HB* rr_1j5l 1
60 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
60 1 . 2 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
61 1 . 1 . 1 1 28 28 CYS HB2 H . . . . 29 . HB2 rr_1j5l 1
61 1 . 2 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
62 1 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
62 1 . 2 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
63 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
63 1 . 2 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
64 2 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
64 2 . 2 . 1 1 12 12 PRO HB2 H . . . . 13 . HB* rr_1j5l 1
64 3 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
64 3 . 2 . 1 1 12 12 PRO HB3 H . . . . 13 . HB* rr_1j5l 1
65 1 . 1 . 1 1 26 26 SER H H . . . . 27 . HN rr_1j5l 1
65 1 . 2 . 1 1 26 26 SER HA H . . . . 27 . HA rr_1j5l 1
66 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
66 1 . 2 . 1 1 6 6 THR HA H . . . . 7 . HA rr_1j5l 1
67 2 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
67 2 . 2 . 1 1 15 15 ASP HB2 H . . . . 16 . HB* rr_1j5l 1
67 3 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
67 3 . 2 . 1 1 15 15 ASP HB3 H . . . . 16 . HB* rr_1j5l 1
68 1 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
68 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
69 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
69 1 . 2 . 1 1 30 30 THR HA H . . . . 31 . HA rr_1j5l 1
70 1 . 1 . 1 1 6 6 THR MG H . . . . 7 . HG2* rr_1j5l 1
70 1 . 2 . 1 1 6 6 THR HA H . . . . 7 . HA rr_1j5l 1
71 2 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
71 2 . 2 . 1 1 16 16 GLU HB2 H . . . . 17 . HB* rr_1j5l 1
71 3 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
71 3 . 2 . 1 1 16 16 GLU HB3 H . . . . 17 . HB* rr_1j5l 1
72 2 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
72 2 . 2 . 1 1 4 4 LYS HG2 H . . . . 5 . HG* rr_1j5l 1
72 3 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
72 3 . 2 . 1 1 4 4 LYS HG3 H . . . . 5 . HG* rr_1j5l 1
73 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
73 1 . 2 . 1 1 30 30 THR MG H . . . . 31 . HG2* rr_1j5l 1
74 2 . 1 . 1 1 14 14 LYS H H . . . . 15 . HN rr_1j5l 1
74 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 15 . HB* rr_1j5l 1
74 3 . 1 . 1 1 14 14 LYS H H . . . . 15 . HN rr_1j5l 1
74 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 15 . HB* rr_1j5l 1
75 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
75 1 . 2 . 1 1 2 2 CYS HA H . . . . 3 . HA rr_1j5l 1
76 1 . 1 . 1 1 23 23 LYS H H . . . . 24 . HN rr_1j5l 1
76 1 . 2 . 1 1 21 21 CYS HB2 H . . . . 22 . HB2 rr_1j5l 1
77 1 . 1 . 1 1 30 30 THR HB H . . . . 31 . HB rr_1j5l 1
77 1 . 2 . 1 1 30 30 THR MG H . . . . 31 . HG2* rr_1j5l 1
78 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
78 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
79 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
79 1 . 2 . 1 1 12 12 PRO HA H . . . . 13 . HA rr_1j5l 1
80 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
80 1 . 2 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
81 1 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
81 1 . 2 . 1 1 4 4 LYS HA H . . . . 5 . HA rr_1j5l 1
82 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
82 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 26 . HB2 rr_1j5l 1
83 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
83 1 . 2 . 1 1 2 2 CYS HB3 H . . . . 3 . HB1 rr_1j5l 1
84 1 . 1 . 1 1 9 9 CYS H H . . . . 10 . HN rr_1j5l 1
84 1 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
85 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
85 1 . 2 . 1 1 6 6 THR MG H . . . . 7 . HG2* rr_1j5l 1
86 1 . 1 . 1 1 9 9 CYS H H . . . . 10 . HN rr_1j5l 1
86 1 . 2 . 1 1 8 8 GLY HA3 H . . . . 9 . HA1 rr_1j5l 1
87 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
87 1 . 2 . 1 1 3 3 GLU HB2 H . . . . 4 . HB2 rr_1j5l 1
88 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
88 1 . 2 . 1 1 2 2 CYS HB3 H . . . . 3 . HB1 rr_1j5l 1
89 1 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
89 1 . 2 . 1 1 27 27 CYS HA H . . . . 28 . HA rr_1j5l 1
90 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
90 1 . 2 . 1 1 16 16 GLU HG2 H . . . . 17 . HG2 rr_1j5l 1
91 1 . 1 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
91 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
92 2 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
92 2 . 2 . 1 1 4 4 LYS HD2 H . . . . 5 . HD* rr_1j5l 1
92 3 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
92 3 . 2 . 1 1 4 4 LYS HD3 H . . . . 5 . HD* rr_1j5l 1
93 1 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
93 1 . 2 . 1 1 3 3 GLU HB2 H . . . . 4 . HB2 rr_1j5l 1
94 2 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
94 2 . 2 . 1 1 1 1 PRO HB2 H . . . . 2 . HB* rr_1j5l 1
94 3 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
94 3 . 2 . 1 1 1 1 PRO HB3 H . . . . 2 . HB* rr_1j5l 1
95 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
95 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 6 . HB1 rr_1j5l 1
96 1 . 1 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
96 1 . 2 . 1 1 3 3 GLU HA H . . . . 4 . HA rr_1j5l 1
97 1 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
97 1 . 2 . 1 1 10 10 LYS HB3 H . . . . 11 . HB1 rr_1j5l 1
98 1 . 1 . 1 1 14 14 LYS H H . . . . 15 . HN rr_1j5l 1
98 1 . 2 . 1 1 14 14 LYS HA H . . . . 15 . HA rr_1j5l 1
99 1 . 1 . 1 1 11 11 CYS H H . . . . 12 . HN rr_1j5l 1
99 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
100 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
100 1 . 2 . 1 1 21 21 CYS HB2 H . . . . 22 . HB2 rr_1j5l 1
101 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
101 1 . 2 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
102 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
102 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
103 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
103 1 . 2 . 1 1 24 24 PRO HB3 H . . . . 25 . HB1 rr_1j5l 1
104 1 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
104 1 . 2 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
105 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
105 1 . 2 . 1 1 4 4 LYS HB3 H . . . . 5 . HB1 rr_1j5l 1
106 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
106 1 . 2 . 1 1 5 5 CYS HB2 H . . . . 6 . HB2 rr_1j5l 1
107 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
107 1 . 2 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
108 1 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
108 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 26 . HB2 rr_1j5l 1
109 1 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
109 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 26 . HB1 rr_1j5l 1
110 1 . 1 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
110 1 . 2 . 1 1 19 19 LYS HA H . . . . 20 . HA rr_1j5l 1
111 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
111 1 . 2 . 1 1 29 29 PRO HG3 H . . . . 30 . HG1 rr_1j5l 1
112 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
112 1 . 2 . 1 1 29 29 PRO HB3 H . . . . 30 . HB1 rr_1j5l 1
113 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
113 1 . 2 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
114 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
114 1 . 2 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
115 1 . 1 . 1 1 18 18 ALA H H . . . . 19 . HN rr_1j5l 1
115 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
116 1 . 1 . 1 1 23 23 LYS H H . . . . 24 . HN rr_1j5l 1
116 1 . 2 . 1 1 21 21 CYS HB3 H . . . . 22 . HB1 rr_1j5l 1
117 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
117 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 29 . HB2 rr_1j5l 1
118 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
118 1 . 2 . 1 1 27 27 CYS HA H . . . . 28 . HA rr_1j5l 1
119 1 . 1 . 1 1 8 8 GLY H H . . . . 9 . HN rr_1j5l 1
119 1 . 2 . 1 1 7 7 SER HA H . . . . 8 . HA rr_1j5l 1
120 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
120 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
121 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
121 1 . 2 . 1 1 13 13 SER HB2 H . . . . 14 . HB2 rr_1j5l 1
122 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
122 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
123 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
123 1 . 2 . 1 1 16 16 GLU HG2 H . . . . 17 . HG2 rr_1j5l 1
124 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
124 1 . 2 . 1 1 12 12 PRO HG2 H . . . . 13 . HG2 rr_1j5l 1
125 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
125 1 . 2 . 1 1 19 19 LYS HB3 H . . . . 20 . HB1 rr_1j5l 1
126 1 . 1 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
126 1 . 2 . 1 1 18 18 ALA MB H . . . . 19 . HB* rr_1j5l 1
127 1 . 1 . 1 1 24 24 PRO HD2 H . . . . 25 . HD2 rr_1j5l 1
127 1 . 2 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
128 1 . 1 . 1 1 21 21 CYS HB3 H . . . . 22 . HB1 rr_1j5l 1
128 1 . 2 . 1 1 23 23 LYS HB3 H . . . . 24 . HB1 rr_1j5l 1
129 2 . 1 . 1 1 15 15 ASP HB2 H . . . . 16 . HB* rr_1j5l 1
129 2 . 2 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
129 3 . 1 . 1 1 15 15 ASP HB3 H . . . . 16 . HB* rr_1j5l 1
129 3 . 2 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
130 1 . 1 . 1 1 19 19 LYS HB3 H . . . . 20 . HB1 rr_1j5l 1
130 1 . 2 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
131 1 . 1 . 1 1 29 29 PRO HG2 H . . . . 30 . HG2 rr_1j5l 1
131 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 29 . HB1 rr_1j5l 1
132 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
132 1 . 2 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
133 1 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
133 1 . 2 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
134 1 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
134 1 . 2 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
135 1 . 1 . 1 1 11 11 CYS H H . . . . 12 . HN rr_1j5l 1
135 1 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
136 1 . 1 . 1 1 22 22 SER H H . . . . 23 . HN rr_1j5l 1
136 1 . 2 . 1 1 22 22 SER HB2 H . . . . 23 . HB2 rr_1j5l 1
137 1 . 1 . 1 1 2 2 CYS H H . . . . 3 . HN rr_1j5l 1
137 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 26 . HB2 rr_1j5l 1
138 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
138 1 . 2 . 1 1 3 3 GLU HA H . . . . 4 . HA rr_1j5l 1
139 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
139 1 . 2 . 1 1 2 2 CYS HB2 H . . . . 3 . HB2 rr_1j5l 1
140 2 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
140 2 . 2 . 1 1 9 9 CYS HB2 H . . . . 10 . HB* rr_1j5l 1
140 3 . 1 . 1 1 10 10 LYS H H . . . . 11 . HN rr_1j5l 1
140 3 . 2 . 1 1 9 9 CYS HB3 H . . . . 10 . HB* rr_1j5l 1
141 1 . 1 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
141 1 . 2 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
142 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
142 1 . 2 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
143 1 . 1 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
143 1 . 2 . 1 1 18 18 ALA MB H . . . . 19 . HB* rr_1j5l 1
144 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
144 1 . 2 . 1 1 24 24 PRO HB2 H . . . . 25 . HB2 rr_1j5l 1
145 1 . 1 . 1 1 25 25 CYS H H . . . . 26 . HN rr_1j5l 1
145 1 . 2 . 1 1 23 23 LYS HB3 H . . . . 24 . HB1 rr_1j5l 1
146 1 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
146 1 . 2 . 1 1 13 13 SER HB3 H . . . . 14 . HB1 rr_1j5l 1
147 2 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
147 2 . 2 . 1 1 16 16 GLU HB2 H . . . . 17 . HB* rr_1j5l 1
147 3 . 1 . 1 1 15 15 ASP H H . . . . 16 . HN rr_1j5l 1
147 3 . 2 . 1 1 16 16 GLU HB3 H . . . . 17 . HB* rr_1j5l 1
148 1 . 1 . 1 1 27 27 CYS H H . . . . 28 . HN rr_1j5l 1
148 1 . 2 . 1 1 26 26 SER HB3 H . . . . 27 . HB1 rr_1j5l 1
149 1 . 1 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
149 1 . 2 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
150 1 . 1 . 1 1 20 20 THR H H . . . . 21 . HN rr_1j5l 1
150 1 . 2 . 1 1 19 19 LYS HB2 H . . . . 20 . HB2 rr_1j5l 1
151 1 . 1 . 1 1 5 5 CYS H H . . . . 6 . HN rr_1j5l 1
151 1 . 2 . 1 1 4 4 LYS HA H . . . . 5 . HA rr_1j5l 1
152 1 . 1 . 1 1 30 30 THR H H . . . . 31 . HN rr_1j5l 1
152 1 . 2 . 1 1 30 30 THR HB H . . . . 31 . HB rr_1j5l 1
153 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
153 1 . 2 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
154 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
154 1 . 2 . 1 1 3 3 GLU HA H . . . . 4 . HA rr_1j5l 1
155 1 . 1 . 1 1 6 6 THR H H . . . . 7 . HN rr_1j5l 1
155 1 . 2 . 1 1 5 5 CYS HB3 H . . . . 6 . HB1 rr_1j5l 1
156 1 . 1 . 1 1 16 16 GLU H H . . . . 17 . HN rr_1j5l 1
156 1 . 2 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
157 1 . 1 . 1 1 23 23 LYS H H . . . . 24 . HN rr_1j5l 1
157 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 26 . HB1 rr_1j5l 1
158 1 . 1 . 1 1 23 23 LYS H H . . . . 24 . HN rr_1j5l 1
158 1 . 2 . 1 1 23 23 LYS HG3 H . . . . 24 . HG1 rr_1j5l 1
159 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
159 1 . 2 . 1 1 29 29 PRO HD3 H . . . . 30 . HD1 rr_1j5l 1
160 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
160 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 26 . HB1 rr_1j5l 1
161 1 . 1 . 1 1 8 8 GLY H H . . . . 9 . HN rr_1j5l 1
161 1 . 2 . 1 1 9 9 CYS HA H . . . . 10 . HA rr_1j5l 1
162 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
162 1 . 2 . 1 1 12 12 PRO HG3 H . . . . 13 . HG1 rr_1j5l 1
163 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
163 1 . 2 . 1 1 14 14 LYS HA H . . . . 15 . HA rr_1j5l 1
164 1 . 1 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
164 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
165 2 . 1 . 1 1 6 6 THR HA H . . . . 7 . HA rr_1j5l 1
165 2 . 2 . 1 1 1 1 PRO HG2 H . . . . 2 . HG* rr_1j5l 1
165 3 . 1 . 1 1 6 6 THR HA H . . . . 7 . HA rr_1j5l 1
165 3 . 2 . 1 1 1 1 PRO HG3 H . . . . 2 . HG* rr_1j5l 1
166 1 . 1 . 1 1 29 29 PRO HD3 H . . . . 30 . HD1 rr_1j5l 1
166 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 12 . HB1 rr_1j5l 1
167 2 . 1 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
167 2 . 2 . 1 1 12 12 PRO HG3 H . . . . 13 . HG* rr_1j5l 1
167 3 . 1 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
167 3 . 2 . 1 1 12 12 PRO HG2 H . . . . 13 . HG* rr_1j5l 1
168 1 . 1 . 1 1 21 21 CYS HB3 H . . . . 22 . HB1 rr_1j5l 1
168 1 . 2 . 1 1 24 24 PRO HA H . . . . 25 . HA rr_1j5l 1
169 1 . 1 . 1 1 16 16 GLU HG3 H . . . . 17 . HG1 rr_1j5l 1
169 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
170 1 . 1 . 1 1 3 3 GLU HB3 H . . . . 4 . HB1 rr_1j5l 1
170 1 . 2 . 1 1 3 3 GLU HA H . . . . 4 . HA rr_1j5l 1
171 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
171 1 . 2 . 1 1 29 29 PRO HD3 H . . . . 30 . HD1 rr_1j5l 1
172 1 . 1 . 1 1 4 4 LYS HB2 H . . . . 5 . HB2 rr_1j5l 1
172 1 . 2 . 1 1 4 4 LYS HA H . . . . 5 . HA rr_1j5l 1
173 1 . 1 . 1 1 29 29 PRO HG3 H . . . . 30 . HG1 rr_1j5l 1
173 1 . 2 . 1 1 30 30 THR HA H . . . . 31 . HA rr_1j5l 1
174 1 . 1 . 1 1 19 19 LYS HD3 H . . . . 20 . HD1 rr_1j5l 1
174 1 . 2 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
175 1 . 1 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
175 1 . 2 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
176 1 . 1 . 1 1 13 13 SER H H . . . . 14 . HN rr_1j5l 1
176 1 . 2 . 1 1 17 17 CYS H H . . . . 18 . HN rr_1j5l 1
177 1 . 1 . 1 1 16 16 GLU HA H . . . . 17 . HA rr_1j5l 1
177 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 18 . HB2 rr_1j5l 1
178 1 . 1 . 1 1 2 2 CYS HB3 H . . . . 3 . HB1 rr_1j5l 1
178 1 . 2 . 1 1 3 3 GLU HB3 H . . . . 4 . HB1 rr_1j5l 1
179 1 . 1 . 1 1 4 4 LYS HB2 H . . . . 5 . HB2 rr_1j5l 1
179 1 . 2 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
180 1 . 1 . 1 1 29 29 PRO HG3 H . . . . 30 . HG1 rr_1j5l 1
180 1 . 2 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
181 2 . 1 . 1 1 23 23 LYS HB3 H . . . . 24 . HB* rr_1j5l 1
181 2 . 2 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
181 3 . 1 . 1 1 23 23 LYS HB2 H . . . . 24 . HB* rr_1j5l 1
181 3 . 2 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
182 1 . 1 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
182 1 . 2 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
183 1 . 1 . 1 1 19 19 LYS H H . . . . 20 . HN rr_1j5l 1
183 1 . 2 . 1 1 21 21 CYS H H . . . . 22 . HN rr_1j5l 1
184 1 . 1 . 1 1 28 28 CYS H H . . . . 29 . HN rr_1j5l 1
184 1 . 2 . 1 1 26 26 SER H H . . . . 27 . HN rr_1j5l 1
185 1 . 1 . 1 1 3 3 GLU H H . . . . 4 . HN rr_1j5l 1
185 1 . 2 . 1 1 4 4 LYS H H . . . . 5 . HN rr_1j5l 1
186 1 . 1 . 1 1 17 17 CYS HB2 H . . . . 18 . HB2 rr_1j5l 1
186 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
187 1 . 1 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
187 1 . 2 . 1 1 21 21 CYS HB2 H . . . . 22 . HB2 rr_1j5l 1
188 1 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
188 1 . 2 . 1 1 24 24 PRO HD3 H . . . . 25 . HD1 rr_1j5l 1
189 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
189 1 . 2 . 1 1 17 17 CYS HB3 H . . . . 18 . HB1 rr_1j5l 1
190 1 . 1 . 1 1 2 2 CYS HA H . . . . 3 . HA rr_1j5l 1
190 1 . 2 . 1 1 2 2 CYS HB3 H . . . . 3 . HB1 rr_1j5l 1
191 1 . 1 . 1 1 2 2 CYS HA H . . . . 3 . HA rr_1j5l 1
191 1 . 2 . 1 1 2 2 CYS HB2 H . . . . 3 . HB2 rr_1j5l 1
192 1 . 1 . 1 1 11 11 CYS HA H . . . . 12 . HA rr_1j5l 1
192 1 . 2 . 1 1 12 12 PRO HD3 H . . . . 13 . HD1 rr_1j5l 1
193 1 . 1 . 1 1 11 11 CYS HA H . . . . 12 . HA rr_1j5l 1
193 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
194 1 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
194 1 . 2 . 1 1 10 10 LYS HB3 H . . . . 11 . HB1 rr_1j5l 1
195 1 . 1 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
195 1 . 2 . 1 1 13 13 SER HB2 H . . . . 14 . HB2 rr_1j5l 1
196 1 . 1 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
196 1 . 2 . 1 1 5 5 CYS HB2 H . . . . 6 . HB2 rr_1j5l 1
197 1 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
197 1 . 2 . 1 1 23 23 LYS HB3 H . . . . 24 . HB1 rr_1j5l 1
198 2 . 1 . 1 1 27 27 CYS HA H . . . . 28 . HA rr_1j5l 1
198 2 . 2 . 1 1 27 27 CYS HB2 H . . . . 28 . HB* rr_1j5l 1
198 3 . 1 . 1 1 27 27 CYS HA H . . . . 28 . HA rr_1j5l 1
198 3 . 2 . 1 1 27 27 CYS HB3 H . . . . 28 . HB* rr_1j5l 1
199 1 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
199 1 . 2 . 1 1 23 23 LYS HB2 H . . . . 24 . HB2 rr_1j5l 1
200 2 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
200 2 . 2 . 1 1 10 10 LYS HG2 H . . . . 11 . HG* rr_1j5l 1
200 3 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
200 3 . 2 . 1 1 10 10 LYS HG3 H . . . . 11 . HG* rr_1j5l 1
201 2 . 1 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
201 2 . 2 . 1 1 20 20 THR MG H . . . . 21 . HG* rr_1j5l 1
201 3 . 1 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
201 3 . 2 . 1 1 20 20 THR HG1 H . . . . 21 . HG* rr_1j5l 1
202 1 . 1 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
202 1 . 2 . 1 1 29 29 PRO HG3 H . . . . 30 . HG1 rr_1j5l 1
203 1 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
203 1 . 2 . 1 1 10 10 LYS HB2 H . . . . 11 . HB2 rr_1j5l 1
204 1 . 1 . 1 1 11 11 CYS HA H . . . . 12 . HA rr_1j5l 1
204 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 12 . HB1 rr_1j5l 1
205 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
205 1 . 2 . 1 1 20 20 THR HB H . . . . 21 . HB rr_1j5l 1
206 1 . 1 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
206 1 . 2 . 1 1 29 29 PRO HD3 H . . . . 30 . HD1 rr_1j5l 1
207 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
207 1 . 2 . 1 1 19 19 LYS HB3 H . . . . 20 . HB1 rr_1j5l 1
208 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
208 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
209 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
209 1 . 2 . 1 1 17 17 CYS HB2 H . . . . 18 . HB2 rr_1j5l 1
210 1 . 1 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
210 1 . 2 . 1 1 29 29 PRO HD2 H . . . . 30 . HD2 rr_1j5l 1
211 1 . 1 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
211 1 . 2 . 1 1 28 28 CYS HB2 H . . . . 29 . HB2 rr_1j5l 1
212 1 . 1 . 1 1 1 1 PRO HA H . . . . 2 . HA rr_1j5l 1
212 1 . 2 . 1 1 25 25 CYS HB2 H . . . . 26 . HB2 rr_1j5l 1
213 1 . 1 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
213 1 . 2 . 1 1 22 22 SER HB3 H . . . . 23 . HB1 rr_1j5l 1
214 1 . 1 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
214 1 . 2 . 1 1 13 13 SER HB3 H . . . . 14 . HB1 rr_1j5l 1
215 1 . 1 . 1 1 11 11 CYS HA H . . . . 12 . HA rr_1j5l 1
215 1 . 2 . 1 1 14 14 LYS HA H . . . . 15 . HA rr_1j5l 1
216 1 . 1 . 1 1 14 14 LYS HA H . . . . 15 . HA rr_1j5l 1
216 1 . 2 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
217 1 . 1 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
217 1 . 2 . 1 1 25 25 CYS HB3 H . . . . 26 . HB1 rr_1j5l 1
218 1 . 1 . 1 1 26 26 SER HA H . . . . 27 . HA rr_1j5l 1
218 1 . 2 . 1 1 26 26 SER HB3 H . . . . 27 . HB1 rr_1j5l 1
219 1 . 1 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
219 1 . 2 . 1 1 29 29 PRO HG2 H . . . . 30 . HG2 rr_1j5l 1
220 1 . 1 . 1 1 29 29 PRO HA H . . . . 30 . HA rr_1j5l 1
220 1 . 2 . 1 1 29 29 PRO HB3 H . . . . 30 . HB1 rr_1j5l 1
221 1 . 1 . 1 1 29 29 PRO HA H . . . . 30 . HA rr_1j5l 1
221 1 . 2 . 1 1 29 29 PRO HD3 H . . . . 30 . HD1 rr_1j5l 1
222 1 . 1 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
222 1 . 2 . 1 1 7 7 SER HB2 H . . . . 8 . HB2 rr_1j5l 1
223 1 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
223 1 . 2 . 1 1 24 24 PRO HA H . . . . 25 . HA rr_1j5l 1
224 2 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
224 2 . 2 . 1 1 24 24 PRO HG2 H . . . . 25 . HG* rr_1j5l 1
224 3 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
224 3 . 2 . 1 1 24 24 PRO HG3 H . . . . 25 . HG* rr_1j5l 1
225 1 . 1 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
225 1 . 2 . 1 1 22 22 SER HB2 H . . . . 23 . HB2 rr_1j5l 1
226 1 . 1 . 1 1 13 13 SER HA H . . . . 14 . HA rr_1j5l 1
226 1 . 2 . 1 1 29 29 PRO HB3 H . . . . 30 . HB1 rr_1j5l 1
227 1 . 1 . 1 1 28 28 CYS HA H . . . . 29 . HA rr_1j5l 1
227 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 29 . HB1 rr_1j5l 1
228 1 . 1 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
228 1 . 2 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
229 1 . 1 . 1 1 23 23 LYS HA H . . . . 24 . HA rr_1j5l 1
229 1 . 2 . 1 1 23 23 LYS HG2 H . . . . 24 . HG2 rr_1j5l 1
230 1 . 1 . 1 1 17 17 CYS HA H . . . . 18 . HA rr_1j5l 1
230 1 . 2 . 1 1 20 20 THR MG H . . . . 21 . HG2* rr_1j5l 1
231 1 . 1 . 1 1 21 21 CYS HA H . . . . 22 . HA rr_1j5l 1
231 1 . 2 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
232 2 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
232 2 . 2 . 1 1 10 10 LYS HD2 H . . . . 11 . HD* rr_1j5l 1
232 3 . 1 . 1 1 10 10 LYS HA H . . . . 11 . HA rr_1j5l 1
232 3 . 2 . 1 1 10 10 LYS HD3 H . . . . 11 . HD* rr_1j5l 1
233 1 . 1 . 1 1 22 22 SER HA H . . . . 23 . HA rr_1j5l 1
233 1 . 2 . 1 1 23 23 LYS HB3 H . . . . 24 . HB1 rr_1j5l 1
234 1 . 1 . 1 1 15 15 ASP HA H . . . . 16 . HA rr_1j5l 1
234 1 . 2 . 1 1 18 18 ALA MB H . . . . 19 . HB* rr_1j5l 1
235 1 . 1 . 1 1 5 5 CYS HA H . . . . 6 . HA rr_1j5l 1
235 1 . 2 . 1 1 4 4 LYS HB3 H . . . . 5 . HB1 rr_1j5l 1
236 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 12 . HB2 rr_1j5l 1
236 1 . 2 . 1 1 28 28 CYS HB3 H . . . . 29 . HB1 rr_1j5l 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 2 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
1 3 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
1 4 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
1 5 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
2 2 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
2 3 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
3 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
4 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
5 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
6 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
7 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
8 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
9 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
10 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
11 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
12 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
13 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
14 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
15 1 . . . . . . 3.7 1.8 3.7 rr_1j5l 1
16 2 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
16 3 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
17 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
18 1 . . . . . . 3.7 1.8 3.7 rr_1j5l 1
19 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
20 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
21 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
22 2 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
22 3 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
23 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
24 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
25 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
26 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
27 2 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
27 3 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
28 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
29 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
30 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
31 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
32 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
33 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
34 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
35 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
36 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
37 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
38 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
38 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
39 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
40 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
41 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
42 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
43 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
44 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
45 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
46 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
47 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
48 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
49 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
50 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
51 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
52 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
53 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
54 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
54 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
55 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
56 2 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
56 3 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
57 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
58 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
59 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
59 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
60 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
61 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
62 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
63 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
64 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
64 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
65 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
66 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
67 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
67 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
68 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
69 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
70 1 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
71 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
71 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
72 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
72 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
73 1 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
74 2 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
74 3 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
75 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
76 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
77 1 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
78 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
79 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
80 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
81 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
82 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
83 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
84 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
85 1 . . . . . . 4.1 1.8 4.1 rr_1j5l 1
86 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
87 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
88 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
89 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
90 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
91 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
92 2 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
92 3 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
93 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
94 2 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
94 3 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
95 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
96 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
97 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
98 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
99 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
100 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
101 1 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
102 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
103 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
104 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
105 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
106 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
107 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
108 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
109 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
110 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
111 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
112 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
113 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
114 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
115 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
116 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
117 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
118 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
119 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
120 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
121 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
122 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
123 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
124 1 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
125 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
126 1 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
127 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
128 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
129 2 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
129 3 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
130 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
131 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
132 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
133 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
134 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
135 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
136 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
137 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
138 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
139 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
140 2 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
140 3 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
141 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
142 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
143 1 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
144 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
145 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
146 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
147 2 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
147 3 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
148 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
149 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
150 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
151 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
152 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
153 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
154 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
155 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
156 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
157 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
158 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
159 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
160 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
161 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
162 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
163 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
164 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
165 2 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
165 3 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
166 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
167 2 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
167 3 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
168 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
169 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
170 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
171 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
172 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
173 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
174 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
175 1 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
176 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
177 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
178 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
179 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
180 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
181 2 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
181 3 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
182 1 . . . . . . 6.0 1.8 6.0 rr_1j5l 1
183 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
184 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
185 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
186 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
187 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
188 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
189 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
190 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
191 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
192 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
193 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
194 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
195 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
196 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
197 1 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
198 2 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
198 3 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
199 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
200 2 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
200 3 . . . . . . 2.7 1.8 2.7 rr_1j5l 1
201 2 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
201 3 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
202 1 . . . . . . 3.6 2.7 4.5 rr_1j5l 1
203 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
204 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 1
205 1 . . . . . . 3.6 1.8 3.6 rr_1j5l 1
206 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
207 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
208 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
209 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
210 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
211 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
212 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
213 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
214 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
215 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
216 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
217 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
218 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
219 1 . . . . . . 5.5 1.8 5.5 rr_1j5l 1
220 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
221 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
222 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
223 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
224 2 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
224 3 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
225 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
226 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
227 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
228 1 . . . . . . 5.5 2.3 5.5 rr_1j5l 1
229 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
230 1 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
231 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
232 2 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
232 3 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
233 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
234 1 . . . . . . 5.0 1.8 5.0 rr_1j5l 1
235 1 . . . . . . 4.5 1.8 4.5 rr_1j5l 1
236 1 . . . . . . 3.2 1.8 3.2 rr_1j5l 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
;NOE distant restraints
very strong NOE 2.7 0.9 0.0
strong NOE 3.2 1.4 0.0
medium NOE 3.6 1.8 0.0
weak NOE 4.5 2.7 0.0
very weak NOE 5.5 3.7 0.0
;
1 1 7 30 rr_1j5l 1
2 "added 0.5 A pseudoatom correction 09/15/2000" 66 71 66 117 rr_1j5l 1
3 "!!assign ( resid 24 and name HN )(resid 25 and name HA ) 4.500 2.7 0.000" 104 1 104 74 rr_1j5l 1
4 "!! changed from 4.5 A" 142 74 142 96 rr_1j5l 1
5 !strong:noed2o_10 203 83 203 101 rr_1j5l 1
6 !strong:noed2o_10 204 83 204 101 rr_1j5l 1
7 !strong:noed2o_10 205 83 205 101 rr_1j5l 1
8 !strong:noed2o_10 206 83 206 101 rr_1j5l 1
9 !strong:noed2o_10 207 83 207 101 rr_1j5l 1
10 !strong:noed2o_10 208 83 208 101 rr_1j5l 1
11 !strong:noed2o_10 209 83 209 101 rr_1j5l 1
12 !strong:noed2o_10 210 83 210 101 rr_1j5l 1
13 !strong:noed2o_10 211 83 211 101 rr_1j5l 1
14 !strong:noed2o_10 212 83 212 101 rr_1j5l 1
15 !strong:noed2o_10 213 83 213 101 rr_1j5l 1
16 !strong:noed2o_10 214 83 214 101 rr_1j5l 1
17 !strong:noed2o_10 215 83 215 101 rr_1j5l 1
18 !strong:noed2o_10 216 83 216 101 rr_1j5l 1
19 !medium:noed2o_10 218 83 218 102 rr_1j5l 1
20 !medium:noed2o_10 219 83 219 101 rr_1j5l 1
21 !medium:noed2o_10 220 83 220 101 rr_1j5l 1
22 !strong:noed2o_20 221 82 221 100 rr_1j5l 1
23 !strong:noed2o_20 222 83 222 101 rr_1j5l 1
24 !strong:noed2o_20 223 83 223 101 rr_1j5l 1
25 !strong:noed2o_20 224 83 224 101 rr_1j5l 1
26 !strong:noed2o_20 225 83 225 101 rr_1j5l 1
27 !strong:noed2o_20 226 83 226 101 rr_1j5l 1
28 !strong:noed2o_2O 227 83 227 101 rr_1j5l 1
29 "!strong:noed2o_20 ! changed from 23 HA 22 HB2" 228 82 228 128 rr_1j5l 1
30 !strong:noed2o_20 229 83 229 101 rr_1j5l 1
31 !strong:noed2o_20 230 83 230 101 rr_1j5l 1
32 "!strong:noed2o_20 ! increased limits" 231 82 231 119 rr_1j5l 1
33 "!strong:noed2o_20 ! increased limits" 232 82 232 119 rr_1j5l 1
34 !strong:noed2o_20 233 83 233 101 rr_1j5l 1
35 !strong:noed2o_20 234 83 234 101 rr_1j5l 1
36 "!strong:noed2o_20 increased due to mobility" 235 83 235 127 rr_1j5l 1
37 "!strong:noed2o_20 ambiguity ?" 236 83 236 113 rr_1j5l 1
38 !strong:noed2o_20 237 83 237 101 rr_1j5l 1
39 !strong:noed2o_20 238 83 238 101 rr_1j5l 1
40 !strong:noed2o_20 239 82 239 100 rr_1j5l 1
41 "!strong:noed2o_20 ambiguity ?" 240 83 240 113 rr_1j5l 1
42 !strong:noed2o_20 241 83 241 101 rr_1j5l 1
43 "!strong:noed2o_20 ambiguity ?" 242 83 242 113 rr_1j5l 1
44 !strong:noed2o_20 243 83 243 101 rr_1j5l 1
45 !strong:noed2o_20 244 84 244 102 rr_1j5l 1
46 !strong:noed2o_20 245 83 245 101 rr_1j5l 1
47 weak 246 83 246 88 rr_1j5l 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_1j5l
_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 3
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_1j5l 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 1 1 PRO C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -90.0 -30.0 . . . A . 2 PRO C . . A . 3 CYS N . . A . 3 CYS CA . . A . 3 CYS C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_1j5l 1
2 . . 1 1 4 4 LYS C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -150.0 -90.0 . . . A . 5 LYS C . . A . 6 CYS N . . A . 6 CYS CA . . A . 6 CYS C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1j5l 1
3 . . 1 1 21 21 CYS C C . . 1 1 22 22 SER N N . . 1 1 22 22 SER CA C . . 1 1 22 22 SER C C . -90.0 -30.0 . . . A . 22 CYS C . . A . 23 SER N . . A . 23 SER CA . . A . 23 SER C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1j5l 1
4 . . 1 1 14 14 LYS C C . . 1 1 15 15 ASP N N . . 1 1 15 15 ASP CA C . . 1 1 15 15 ASP C C . -90.0 -30.0 . . . A . 15 LYS C . . A . 16 ASP N . . A . 16 ASP CA . . A . 16 ASP C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1j5l 1
5 . . 1 1 16 16 GLU C C . . 1 1 17 17 CYS N N . . 1 1 17 17 CYS CA C . . 1 1 17 17 CYS C C . -90.0 -30.0 . . . A . 17 GLU C . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1j5l 1
6 . . 1 1 17 17 CYS C C . . 1 1 18 18 ALA N N . . 1 1 18 18 ALA CA C . . 1 1 18 18 ALA C C . -90.0 -30.0 . . . A . 18 CYS C . . A . 19 ALA N . . A . 19 ALA CA . . A . 19 ALA C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1j5l 1
7 . . 1 1 19 19 LYS C C . . 1 1 20 20 THR N N . . 1 1 20 20 THR CA C . . 1 1 20 20 THR C C . -160.0 -80.0 . . . A . 20 LYS C . . A . 21 THR N . . A . 21 THR CA . . A . 21 THR C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1j5l 1
8 . . 1 1 20 20 THR C C . . 1 1 21 21 CYS N N . . 1 1 21 21 CYS CA C . . 1 1 21 21 CYS C C . -160.0 -80.0 . . . A . 21 THR C . . A . 22 CYS N . . A . 22 CYS CA . . A . 22 CYS C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1j5l 1
9 . . 1 1 27 27 CYS C C . . 1 1 28 28 CYS N N . . 1 1 28 28 CYS CA C . . 1 1 28 28 CYS C C . -90.0 -30.0 . . . A . 28 CYS C . . A . 29 CYS N . . A . 29 CYS CA . . A . 29 CYS C . . . 28 . C . . . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . rr_1j5l 1
10 . . 1 1 29 29 PRO C C . . 1 1 30 30 THR N N . . 1 1 30 30 THR CA C . . 1 1 30 30 THR C C . -160.0 -80.0 . . . A . 30 PRO C . . A . 31 THR N . . A . 31 THR CA . . A . 31 THR C . . . 30 . C . . . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . rr_1j5l 1
11 . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS CB C . . 1 1 2 2 CYS SG S . 30.0 90.0 . . . A . 3 CYS N . . A . 3 CYS CA . . A . 3 CYS CB . . A . 3 CYS SG . . . 3 . N . . . . . 3 . CA . . . . . 3 . CB . . . . . 3 . SG . . rr_1j5l 1
12 . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS CB C . . 1 1 5 5 CYS SG S . -90.0 -30.0 . . . A . 6 CYS N . . A . 6 CYS CA . . A . 6 CYS CB . . A . 6 CYS SG . . . 6 . N . . . . . 6 . CA . . . . . 6 . CB . . . . . 6 . SG . . rr_1j5l 1
13 . . 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 . -90.0 -30.0 . . . A . 12 CYS N . . A . 12 CYS CA . . A . 12 CYS CB . . A . 12 CYS SG . . . 12 . N . . . . . 12 . CA . . . . . 12 . CB . . . . . 12 . SG . . rr_1j5l 1
14 . . 1 1 17 17 CYS N N . . 1 1 17 17 CYS CA C . . 1 1 17 17 CYS CB C . . 1 1 17 17 CYS SG S . 150.0 210.0 . . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS CB . . A . 18 CYS SG . . . 18 . N . . . . . 18 . CA . . . . . 18 . CB . . . . . 18 . SG . . rr_1j5l 1
15 . . 1 1 21 21 CYS N N . . 1 1 21 21 CYS CA C . . 1 1 21 21 CYS CB C . . 1 1 21 21 CYS SG S . -90.0 -30.0 . . . 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_1j5l 1
16 . . 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 . -90.0 -30.0 . . . A . 26 CYS N . . A . 26 CYS CA . . A . 26 CYS CB . . A . 26 CYS SG . . . 26 . N . . . . . 26 . CA . . . . . 26 . CB . . . . . 26 . SG . . rr_1j5l 1
17 . . 1 1 28 28 CYS N N . . 1 1 28 28 CYS CA C . . 1 1 28 28 CYS CB C . . 1 1 28 28 CYS SG S . -90.0 -30.0 . . . A . 29 CYS N . . A . 29 CYS CA . . A . 29 CYS CB . . A . 29 CYS SG . . . 29 . N . . . . . 29 . CA . . . . . 29 . CB . . . . . 29 . SG . . rr_1j5l 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
;dihedral angle restraints
!
! Phi restraints: minimum deviation = 30 degrees
betac domain
! 3
;
1 1 6 10 rr_1j5l 1
2
;changed
! 6
;
8 78 9 12 rr_1j5l 1
3 "! 23 exchanged from 8" 12 3 12 30 rr_1j5l 1
4
;changed from -120
! 16
;
14 81 15 11 rr_1j5l 1
5
;changed from -105
! 18
;
17 79 18 11 rr_1j5l 1
6
;changed from -105
! 19
;
20 79 21 11 rr_1j5l 1
7 "! 21" 24 3 24 11 rr_1j5l 1
8 "! 22" 27 3 27 12 rr_1j5l 1
9 "! 29" 30 3 30 11 rr_1j5l 1
10 "! 31" 33 3 33 11 rr_1j5l 1
11
;!
! Chi1 restraints: minimum deviation = 30 degrees
!3
;
36 1 39 6 rr_1j5l 1
12 !6 42 3 42 8 rr_1j5l 1
13 !12 45 3 45 7 rr_1j5l 1
14 !18 48 3 48 7 rr_1j5l 1
15 !22 51 3 51 7 rr_1j5l 1
16 !26 54 3 54 7 rr_1j5l 1
17 !29 57 3 57 7 rr_1j5l 1
18
;!
!metal cluster chi2 restraints
!12
;
61 1 63 7 rr_1j5l 1
19 !18 66 3 66 7 rr_1j5l 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 3 18 1 "Not handling restraint 18, resonance(s) ' .32.KR1' (nmrStar names) not linked" rr_1j5l 1
2 3 19 1 "Not handling restraint 19, resonance(s) ' .32.KR1' (nmrStar names) not linked" rr_1j5l 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_1j5l
_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 1J5L *TITLE NMR STRUCTURE OF THE ISOLATED BETA_C DOMAIN OF LOBSTER *TITLE 2 METALLOTHIONEIN-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: METALLOTHIONEIN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: BETA_C DOMAIN (RESIDUES 29-58); *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 BETA-DOMAIN, METALLOPROTEIN, CADMIUM-SULFUR-CLUSTER *EXPDTA NMR, MINIMIZED AVERAGE STUCTURE *AUTHOR A.MUNOZ, F.H.FORSTERLING, C.F.SHAW III, D.H.PETERING *REVDAT 1 22-MAY-02 1J5L 0"
save_
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