NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
372722 |
1dft   |
cing | 3-converted-DOCR | STAR | entry | full | 103 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1dft
# This DOCR archive file contains, for PDB entry <1dft>:
#
# - 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_1dft
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1dft"
_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 1dft"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1dft
_Assembly.ID 1
_Assembly.Name 1dft
_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 3353.7028
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_1dft 1
2 "CADMIUM ION" 2 $CADMIUM_ION B . no . . . . . . rr_1dft 1
3 "CADMIUM ION" 2 $CADMIUM_ION C . no . . . . . . rr_1dft 1
4 "CADMIUM ION" 2 $CADMIUM_ION D . no . . . . . . rr_1dft 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Sf_framecode METALLOTHIONEIN_1
_Entity.Entry_ID rr_1dft
_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
;MDPNCSCSTGGSCTCTSSCA
CKNCKCTSCK
;
_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 3016.4728
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 . MET . rr_1dft 1
2 . ASP . rr_1dft 1
3 . PRO . rr_1dft 1
4 . ASN . rr_1dft 1
5 . CYS . rr_1dft 1
6 . SER . rr_1dft 1
7 . CYS . rr_1dft 1
8 . SER . rr_1dft 1
9 . THR . rr_1dft 1
10 . GLY . rr_1dft 1
11 . GLY . rr_1dft 1
12 . SER . rr_1dft 1
13 . CYS . rr_1dft 1
14 . THR . rr_1dft 1
15 . CYS . rr_1dft 1
16 . THR . rr_1dft 1
17 . SER . rr_1dft 1
18 . SER . rr_1dft 1
19 . CYS . rr_1dft 1
20 . ALA . rr_1dft 1
21 . CYS . rr_1dft 1
22 . LYS . rr_1dft 1
23 . ASN . rr_1dft 1
24 . CYS . rr_1dft 1
25 . LYS . rr_1dft 1
26 . CYS . rr_1dft 1
27 . THR . rr_1dft 1
28 . SER . rr_1dft 1
29 . CYS . rr_1dft 1
30 . LYS . rr_1dft 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
. MET 1 1 rr_1dft 1
. ASP 2 2 rr_1dft 1
. PRO 3 3 rr_1dft 1
. ASN 4 4 rr_1dft 1
. CYS 5 5 rr_1dft 1
. SER 6 6 rr_1dft 1
. CYS 7 7 rr_1dft 1
. SER 8 8 rr_1dft 1
. THR 9 9 rr_1dft 1
. GLY 10 10 rr_1dft 1
. GLY 11 11 rr_1dft 1
. SER 12 12 rr_1dft 1
. CYS 13 13 rr_1dft 1
. THR 14 14 rr_1dft 1
. CYS 15 15 rr_1dft 1
. THR 16 16 rr_1dft 1
. SER 17 17 rr_1dft 1
. SER 18 18 rr_1dft 1
. CYS 19 19 rr_1dft 1
. ALA 20 20 rr_1dft 1
. CYS 21 21 rr_1dft 1
. LYS 22 22 rr_1dft 1
. ASN 23 23 rr_1dft 1
. CYS 24 24 rr_1dft 1
. LYS 25 25 rr_1dft 1
. CYS 26 26 rr_1dft 1
. THR 27 27 rr_1dft 1
. SER 28 28 rr_1dft 1
. CYS 29 29 rr_1dft 1
. LYS 30 30 rr_1dft 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Sf_framecode CADMIUM_ION
_Entity.Entry_ID rr_1dft
_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_1dft 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_1dft
_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_1dft
_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_1dft
_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_1dft 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_1dft 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 MET C C 12.657 1.473 4.003 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . rr_1dft 1
. 1 . 2 . 1 1 1 MET CA C 14.136 1.257 4.743 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . rr_1dft 1
. 1 . 3 . 1 1 1 MET CB C 15.436 1.453 3.641 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . rr_1dft 1
. 1 . 4 . 1 1 1 MET CE C 17.734 1.404 7.000 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . rr_1dft 1
. 1 . 5 . 1 1 1 MET CG C 16.957 1.235 4.160 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . rr_1dft 1
. 1 . 6 . 1 1 1 MET H1 H 14.194 -0.971 4.882 . . . 1.0 . . . . . . . . . . . . A . 1 MET H1 . . . . . . . . . rr_1dft 1
. 1 . 7 . 1 1 1 MET H2 H 13.505 -0.228 6.246 . . . 1.0 . . . . . . . . . . . . A . 1 MET H2 . . . . . . . . . rr_1dft 1
. 1 . 8 . 1 1 1 MET H3 H 15.168 -0.203 6.065 . . . 1.0 . . . . . . . . . . . . A . 1 MET H3 . . . . . . . . . rr_1dft 1
. 1 . 9 . 1 1 1 MET HA H 14.220 2.045 5.480 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . rr_1dft 1
. 1 . 10 . 1 1 1 MET HB2 H 15.298 0.729 2.837 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . rr_1dft 1
. 1 . 11 . 1 1 1 MET HB3 H 15.372 2.445 3.169 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . rr_1dft 1
. 1 . 12 . 1 1 1 MET HE1 H 18.270 0.477 6.785 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . rr_1dft 1
. 1 . 13 . 1 1 1 MET HE2 H 16.748 1.171 7.368 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . rr_1dft 1
. 1 . 14 . 1 1 1 MET HE3 H 18.266 1.963 7.751 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . rr_1dft 1
. 1 . 15 . 1 1 1 MET HG2 H 17.048 0.211 4.494 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . rr_1dft 1
. 1 . 16 . 1 1 1 MET HG3 H 17.605 1.330 3.288 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . rr_1dft 1
. 1 . 17 . 1 1 1 MET N N 14.266 -0.142 5.537 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . rr_1dft 1
. 1 . 18 . 1 1 1 MET O O 12.452 2.526 3.359 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . rr_1dft 1
. 1 . 19 . 1 1 1 MET SD S 17.600 2.429 5.489 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . rr_1dft 1
. 1 . 20 . 1 1 2 ASP C C 10.323 0.422 1.647 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . rr_1dft 1
. 1 . 21 . 1 1 2 ASP CA C 10.166 0.413 3.331 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . rr_1dft 1
. 1 . 22 . 1 1 2 ASP CB C 9.212 1.550 4.062 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . rr_1dft 1
. 1 . 23 . 1 1 2 ASP CG C 7.637 1.440 3.714 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . rr_1dft 1
. 1 . 24 . 1 1 2 ASP H H 11.811 -0.395 4.545 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . rr_1dft 1
. 1 . 25 . 1 1 2 ASP HA H 9.763 -0.597 3.545 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . rr_1dft 1
. 1 . 26 . 1 1 2 ASP HB2 H 9.338 1.453 5.146 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . rr_1dft 1
. 1 . 27 . 1 1 2 ASP HB3 H 9.601 2.531 3.778 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . rr_1dft 1
. 1 . 28 . 1 1 2 ASP N N 11.616 0.442 4.053 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . rr_1dft 1
. 1 . 29 . 1 1 2 ASP O O 9.686 1.282 0.984 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . rr_1dft 1
. 1 . 30 . 1 1 2 ASP OD1 O 6.943 0.633 4.342 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . rr_1dft 1
. 1 . 31 . 1 1 2 ASP OD2 O 7.180 2.137 2.809 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . rr_1dft 1
. 1 . 32 . 1 1 3 PRO C C 9.942 -1.304 -1.394 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_1dft 1
. 1 . 33 . 1 1 3 PRO CA C 11.331 -0.798 -0.595 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_1dft 1
. 1 . 34 . 1 1 3 PRO CB C 12.565 -1.820 -0.724 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_1dft 1
. 1 . 35 . 1 1 3 PRO CD C 11.989 -1.763 1.675 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_1dft 1
. 1 . 36 . 1 1 3 PRO CG C 12.602 -2.623 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_1dft 1
. 1 . 37 . 1 1 3 PRO HA H 11.635 0.167 -1.017 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_1dft 1
. 1 . 38 . 1 1 3 PRO HB2 H 12.465 -2.500 -1.580 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_1dft 1
. 1 . 39 . 1 1 3 PRO HB3 H 13.501 -1.262 -0.850 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_1dft 1
. 1 . 40 . 1 1 3 PRO HD2 H 11.337 -2.348 2.333 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_1dft 1
. 1 . 41 . 1 1 3 PRO HD3 H 12.773 -1.303 2.276 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_1dft 1
. 1 . 42 . 1 1 3 PRO HG2 H 12.026 -3.549 0.493 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_1dft 1
. 1 . 43 . 1 1 3 PRO HG3 H 13.626 -2.872 0.866 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_1dft 1
. 1 . 44 . 1 1 3 PRO N N 11.155 -0.647 0.993 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_1dft 1
. 1 . 45 . 1 1 3 PRO O O 9.888 -1.120 -2.636 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_1dft 1
. 1 . 46 . 1 1 4 ASN C C 6.542 -1.318 -1.988 . . . 1.0 . . . . . . . . . . . . A . 4 ASN C . . . . . . . . . rr_1dft 1
. 1 . 47 . 1 1 4 ASN CA C 7.446 -2.476 -1.235 . . . 1.0 . . . . . . . . . . . . A . 4 ASN CA . . . . . . . . . rr_1dft 1
. 1 . 48 . 1 1 4 ASN CB C 6.607 -3.337 -0.070 . . . 1.0 . . . . . . . . . . . . A . 4 ASN CB . . . . . . . . . rr_1dft 1
. 1 . 49 . 1 1 4 ASN CG C 6.040 -2.496 1.222 . . . 1.0 . . . . . . . . . . . . A . 4 ASN CG . . . . . . . . . rr_1dft 1
. 1 . 50 . 1 1 4 ASN H H 8.960 -2.040 0.327 . . . 1.0 . . . . . . . . . . . . A . 4 ASN H . . . . . . . . . rr_1dft 1
. 1 . 51 . 1 1 4 ASN HA H 7.717 -3.222 -1.992 . . . 1.0 . . . . . . . . . . . . A . 4 ASN HA . . . . . . . . . rr_1dft 1
. 1 . 52 . 1 1 4 ASN HB2 H 5.778 -3.847 -0.547 . . . 1.0 . . . . . . . . . . . . A . 4 ASN HB2 . . . . . . . . . rr_1dft 1
. 1 . 53 . 1 1 4 ASN HB3 H 7.268 -4.121 0.293 . . . 1.0 . . . . . . . . . . . . A . 4 ASN HB3 . . . . . . . . . rr_1dft 1
. 1 . 54 . 1 1 4 ASN HD21 H 7.753 -2.392 2.358 . . . 1.0 . . . . . . . . . . . . A . 4 ASN HD21 . . . . . . . . . rr_1dft 1
. 1 . 55 . 1 1 4 ASN HD22 H 6.390 -1.585 2.958 . . . 1.0 . . . . . . . . . . . . A . 4 ASN HD22 . . . . . . . . . rr_1dft 1
. 1 . 56 . 1 1 4 ASN N N 8.843 -1.932 -0.647 . . . 1.0 . . . . . . . . . . . . A . 4 ASN N . . . . . . . . . rr_1dft 1
. 1 . 57 . 1 1 4 ASN ND2 N 6.794 -2.147 2.271 . . . 1.0 . . . . . . . . . . . . A . 4 ASN ND2 . . . . . . . . . rr_1dft 1
. 1 . 58 . 1 1 4 ASN O O 6.158 -1.565 -3.149 . . . 1.0 . . . . . . . . . . . . A . 4 ASN O . . . . . . . . . rr_1dft 1
. 1 . 59 . 1 1 4 ASN OD1 O 4.872 -2.126 1.241 . . . 1.0 . . . . . . . . . . . . A . 4 ASN OD1 . . . . . . . . . rr_1dft 1
. 1 . 60 . 1 1 5 CYS C C 5.522 2.686 -1.697 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_1dft 1
. 1 . 61 . 1 1 5 CYS CA C 5.201 1.078 -1.963 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 62 . 1 1 5 CYS CB C 3.630 0.590 -1.652 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 63 . 1 1 5 CYS H H 6.453 0.096 -0.365 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_1dft 1
. 1 . 64 . 1 1 5 CYS HA H 5.334 0.993 -3.053 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 65 . 1 1 5 CYS HB2 H 3.122 0.854 -2.494 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 66 . 1 1 5 CYS HB3 H 3.571 -0.500 -1.586 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 67 . 1 1 5 CYS HG H 1.683 1.273 -0.571 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 68 . 1 1 5 CYS N N 6.159 -0.059 -1.301 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_1dft 1
. 1 . 69 . 1 1 5 CYS O O 6.276 3.025 -0.770 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_1dft 1
. 1 . 70 . 1 1 5 CYS SG S 2.585 1.274 -0.300 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 71 . 1 1 6 SER C C 3.289 5.902 -2.606 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1dft 1
. 1 . 72 . 1 1 6 SER CA C 4.858 5.267 -2.505 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1dft 1
. 1 . 73 . 1 1 6 SER CB C 5.902 5.771 -3.657 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1dft 1
. 1 . 74 . 1 1 6 SER H H 4.209 3.268 -3.244 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1dft 1
. 1 . 75 . 1 1 6 SER HA H 5.244 5.579 -1.543 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1dft 1
. 1 . 76 . 1 1 6 SER HB2 H 5.516 5.513 -4.642 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 77 . 1 1 6 SER HB3 H 5.989 6.860 -3.592 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 78 . 1 1 6 SER HG H 7.756 5.305 -4.264 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1dft 1
. 1 . 79 . 1 1 6 SER N N 4.819 3.649 -2.558 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1dft 1
. 1 . 80 . 1 1 6 SER O O 3.000 6.810 -3.443 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1dft 1
. 1 . 81 . 1 1 6 SER OG O 7.223 5.177 -3.472 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1dft 1
. 1 . 82 . 1 1 7 CYS C C 0.488 7.427 -0.978 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_1dft 1
. 1 . 83 . 1 1 7 CYS CA C 0.698 5.862 -1.576 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 84 . 1 1 7 CYS CB C -0.135 4.752 -0.610 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 85 . 1 1 7 CYS H H 2.586 4.701 -1.036 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_1dft 1
. 1 . 86 . 1 1 7 CYS HA H 0.283 5.868 -2.593 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 87 . 1 1 7 CYS HB2 H 0.492 4.458 0.208 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 88 . 1 1 7 CYS HB3 H -0.983 5.234 -0.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 89 . 1 1 7 CYS HG H -0.670 2.462 -0.796 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 90 . 1 1 7 CYS N N 2.284 5.392 -1.683 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_1dft 1
. 1 . 91 . 1 1 7 CYS O O -0.626 7.958 -1.178 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_1dft 1
. 1 . 92 . 1 1 7 CYS SG S -0.790 3.189 -1.417 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 93 . 1 1 8 SER C C 1.759 9.465 2.149 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1dft 1
. 1 . 94 . 1 1 8 SER CA C 1.625 9.618 0.478 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1dft 1
. 1 . 95 . 1 1 8 SER CB C 0.537 10.716 -0.096 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1dft 1
. 1 . 96 . 1 1 8 SER H H 2.398 7.616 -0.125 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1dft 1
. 1 . 97 . 1 1 8 SER HA H 2.618 9.999 0.175 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1dft 1
. 1 . 98 . 1 1 8 SER HB2 H 0.424 10.582 -1.172 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 99 . 1 1 8 SER HB3 H -0.433 10.535 0.373 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 100 . 1 1 8 SER HG H 0.359 12.712 -0.250 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1dft 1
. 1 . 101 . 1 1 8 SER N N 1.550 8.123 -0.239 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1dft 1
. 1 . 102 . 1 1 8 SER O O 2.616 8.624 2.544 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1dft 1
. 1 . 103 . 1 1 8 SER OG O 0.979 12.082 0.160 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1dft 1
. 1 . 104 . 1 1 9 THR C C -0.106 10.565 5.703 . . . 1.0 . . . . . . . . . . . . A . 9 THR C . . . . . . . . . rr_1dft 1
. 1 . 105 . 1 1 9 THR CA C 1.253 10.179 4.800 . . . 1.0 . . . . . . . . . . . . A . 9 THR CA . . . . . . . . . rr_1dft 1
. 1 . 106 . 1 1 9 THR CB C 2.568 11.181 5.239 . . . 1.0 . . . . . . . . . . . . A . 9 THR CB . . . . . . . . . rr_1dft 1
. 1 . 107 . 1 1 9 THR CG2 C 3.263 10.837 6.664 . . . 1.0 . . . . . . . . . . . . A . 9 THR CG2 . . . . . . . . . rr_1dft 1
. 1 . 108 . 1 1 9 THR H H 0.419 10.987 2.840 . . . 1.0 . . . . . . . . . . . . A . 9 THR H . . . . . . . . . rr_1dft 1
. 1 . 109 . 1 1 9 THR HA H 1.516 9.135 5.033 . . . 1.0 . . . . . . . . . . . . A . 9 THR HA . . . . . . . . . rr_1dft 1
. 1 . 110 . 1 1 9 THR HB H 2.222 12.226 5.294 . . . 1.0 . . . . . . . . . . . . A . 9 THR HB . . . . . . . . . rr_1dft 1
. 1 . 111 . 1 1 9 THR HG1 H 3.559 11.805 3.575 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG1 . . . . . . . . . rr_1dft 1
. 1 . 112 . 1 1 9 THR HG21 H 2.538 10.954 7.461 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG21 . . . . . . . . . rr_1dft 1
. 1 . 113 . 1 1 9 THR HG22 H 4.090 11.514 6.859 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG22 . . . . . . . . . rr_1dft 1
. 1 . 114 . 1 1 9 THR HG23 H 3.636 9.815 6.671 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG23 . . . . . . . . . rr_1dft 1
. 1 . 115 . 1 1 9 THR N N 1.038 10.284 3.161 . . . 1.0 . . . . . . . . . . . . A . 9 THR N . . . . . . . . . rr_1dft 1
. 1 . 116 . 1 1 9 THR O O -0.293 9.899 6.732 . . . 1.0 . . . . . . . . . . . . A . 9 THR O . . . . . . . . . rr_1dft 1
. 1 . 117 . 1 1 9 THR OG1 O 3.671 11.124 4.259 . . . 1.0 . . . . . . . . . . . . A . 9 THR OG1 . . . . . . . . . rr_1dft 1
. 1 . 118 . 1 1 10 GLY C C -3.344 11.370 6.775 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_1dft 1
. 1 . 119 . 1 1 10 GLY CA C -2.196 12.331 6.112 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_1dft 1
. 1 . 120 . 1 1 10 GLY H H -0.658 12.225 4.565 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_1dft 1
. 1 . 121 . 1 1 10 GLY HA2 H -1.801 12.944 6.911 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_1dft 1
. 1 . 122 . 1 1 10 GLY HA3 H -2.679 13.018 5.415 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_1dft 1
. 1 . 123 . 1 1 10 GLY N N -0.934 11.699 5.348 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_1dft 1
. 1 . 124 . 1 1 10 GLY O O -3.001 10.632 7.721 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_1dft 1
. 1 . 125 . 1 1 11 GLY C C -6.329 9.347 6.023 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_1dft 1
. 1 . 126 . 1 1 11 GLY CA C -5.946 10.642 6.903 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_1dft 1
. 1 . 127 . 1 1 11 GLY H H -4.943 12.095 5.594 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_1dft 1
. 1 . 128 . 1 1 11 GLY HA2 H -5.776 10.358 7.950 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_1dft 1
. 1 . 129 . 1 1 11 GLY HA3 H -6.801 11.306 6.900 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_1dft 1
. 1 . 130 . 1 1 11 GLY N N -4.715 11.446 6.321 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_1dft 1
. 1 . 131 . 1 1 11 GLY O O -6.273 8.231 6.592 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_1dft 1
. 1 . 132 . 1 1 12 SER C C -6.363 8.227 2.221 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1dft 1
. 1 . 133 . 1 1 12 SER CA C -7.215 8.292 3.648 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1dft 1
. 1 . 134 . 1 1 12 SER CB C -8.831 8.495 3.409 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1dft 1
. 1 . 135 . 1 1 12 SER H H -6.774 10.436 4.263 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1dft 1
. 1 . 136 . 1 1 12 SER HA H -7.088 7.321 4.160 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1dft 1
. 1 . 137 . 1 1 12 SER HB2 H -9.333 8.590 4.373 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 138 . 1 1 12 SER HB3 H -9.021 9.423 2.842 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 139 . 1 1 12 SER HG H -10.371 7.509 2.550 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1dft 1
. 1 . 140 . 1 1 12 SER N N -6.747 9.498 4.646 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1dft 1
. 1 . 141 . 1 1 12 SER O O -6.079 9.302 1.637 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1dft 1
. 1 . 142 . 1 1 12 SER OG O -9.430 7.345 2.721 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1dft 1
. 1 . 143 . 1 1 13 CYS C C -6.329 5.859 -0.909 . . . 1.0 . . . . . . . . . . . . A . 13 CYS C . . . . . . . . . rr_1dft 1
. 1 . 144 . 1 1 13 CYS CA C -5.322 6.599 0.222 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 145 . 1 1 13 CYS CB C -3.899 5.780 0.500 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 146 . 1 1 13 CYS H H -6.365 6.123 2.153 . . . 1.0 . . . . . . . . . . . . A . 13 CYS H . . . . . . . . . rr_1dft 1
. 1 . 147 . 1 1 13 CYS HA H -5.033 7.559 -0.234 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 148 . 1 1 13 CYS HB2 H -3.342 5.772 -0.420 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 149 . 1 1 13 CYS HB3 H -3.307 6.357 1.209 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 150 . 1 1 13 CYS HG H -4.124 4.008 2.025 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 151 . 1 1 13 CYS N N -6.056 6.928 1.651 . . . 1.0 . . . . . . . . . . . . A . 13 CYS N . . . . . . . . . rr_1dft 1
. 1 . 152 . 1 1 13 CYS O O -5.940 5.829 -2.097 . . . 1.0 . . . . . . . . . . . . A . 13 CYS O . . . . . . . . . rr_1dft 1
. 1 . 153 . 1 1 13 CYS SG S -3.947 3.994 1.084 . . . 1.0 . . . . . . . . . . . . A . 13 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 154 . 1 1 14 THR C C -8.285 2.834 -1.468 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_1dft 1
. 1 . 155 . 1 1 14 THR CA C -8.700 4.430 -1.381 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_1dft 1
. 1 . 156 . 1 1 14 THR CB C -9.215 5.169 -2.860 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_1dft 1
. 1 . 157 . 1 1 14 THR CG2 C -10.804 5.263 -3.013 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_1dft 1
. 1 . 158 . 1 1 14 THR H H -7.815 5.257 0.439 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_1dft 1
. 1 . 159 . 1 1 14 THR HA H -9.582 4.440 -0.700 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_1dft 1
. 1 . 160 . 1 1 14 THR HB H -8.871 4.560 -3.703 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_1dft 1
. 1 . 161 . 1 1 14 THR HG1 H -7.899 6.516 -3.567 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_1dft 1
. 1 . 162 . 1 1 14 THR HG21 H -11.210 5.970 -2.295 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_1dft 1
. 1 . 163 . 1 1 14 THR HG22 H -11.256 4.303 -2.844 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_1dft 1
. 1 . 164 . 1 1 14 THR HG23 H -11.065 5.588 -4.016 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_1dft 1
. 1 . 165 . 1 1 14 THR N N -7.591 5.234 -0.518 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_1dft 1
. 1 . 166 . 1 1 14 THR O O -8.691 2.104 -0.544 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_1dft 1
. 1 . 167 . 1 1 14 THR OG1 O -8.724 6.533 -3.062 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_1dft 1
. 1 . 168 . 1 1 15 CYS C C -8.421 -0.295 -2.892 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . rr_1dft 1
. 1 . 169 . 1 1 15 CYS CA C -7.029 0.661 -2.781 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 170 . 1 1 15 CYS CB C -5.912 0.213 -1.584 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 171 . 1 1 15 CYS H H -7.186 2.861 -3.285 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . rr_1dft 1
. 1 . 172 . 1 1 15 CYS HA H -6.559 0.596 -3.772 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 173 . 1 1 15 CYS HB2 H -6.218 0.648 -0.643 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 174 . 1 1 15 CYS HB3 H -5.936 -0.875 -1.463 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 175 . 1 1 15 CYS HG H -3.897 0.447 -2.771 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 176 . 1 1 15 CYS N N -7.481 2.247 -2.568 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . rr_1dft 1
. 1 . 177 . 1 1 15 CYS O O -8.788 -0.978 -1.899 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . rr_1dft 1
. 1 . 178 . 1 1 15 CYS SG S -4.121 0.689 -1.870 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 179 . 1 1 16 THR C C -10.613 -2.196 -5.357 . . . 1.0 . . . . . . . . . . . . A . 16 THR C . . . . . . . . . rr_1dft 1
. 1 . 180 . 1 1 16 THR CA C -10.703 -0.886 -4.347 . . . 1.0 . . . . . . . . . . . . A . 16 THR CA . . . . . . . . . rr_1dft 1
. 1 . 181 . 1 1 16 THR CB C -11.780 0.361 -4.785 . . . 1.0 . . . . . . . . . . . . A . 16 THR CB . . . . . . . . . rr_1dft 1
. 1 . 182 . 1 1 16 THR CG2 C -12.064 1.457 -3.627 . . . 1.0 . . . . . . . . . . . . A . 16 THR CG2 . . . . . . . . . rr_1dft 1
. 1 . 183 . 1 1 16 THR H H -8.929 0.442 -4.809 . . . 1.0 . . . . . . . . . . . . A . 16 THR H . . . . . . . . . rr_1dft 1
. 1 . 184 . 1 1 16 THR HA H -11.083 -1.313 -3.399 . . . 1.0 . . . . . . . . . . . . A . 16 THR HA . . . . . . . . . rr_1dft 1
. 1 . 185 . 1 1 16 THR HB H -12.744 -0.115 -5.046 . . . 1.0 . . . . . . . . . . . . A . 16 THR HB . . . . . . . . . rr_1dft 1
. 1 . 186 . 1 1 16 THR HG1 H -11.964 1.289 -6.627 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG1 . . . . . . . . . rr_1dft 1
. 1 . 187 . 1 1 16 THR HG21 H -12.656 1.012 -2.843 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG21 . . . . . . . . . rr_1dft 1
. 1 . 188 . 1 1 16 THR HG22 H -12.603 2.304 -4.033 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG22 . . . . . . . . . rr_1dft 1
. 1 . 189 . 1 1 16 THR HG23 H -11.130 1.822 -3.203 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG23 . . . . . . . . . rr_1dft 1
. 1 . 190 . 1 1 16 THR N N -9.237 -0.189 -4.086 . . . 1.0 . . . . . . . . . . . . A . 16 THR N . . . . . . . . . rr_1dft 1
. 1 . 191 . 1 1 16 THR O O -10.032 -3.205 -4.897 . . . 1.0 . . . . . . . . . . . . A . 16 THR O . . . . . . . . . rr_1dft 1
. 1 . 192 . 1 1 16 THR OG1 O -11.254 1.066 -5.988 . . . 1.0 . . . . . . . . . . . . A . 16 THR OG1 . . . . . . . . . rr_1dft 1
. 1 . 193 . 1 1 17 SER C C -9.686 -3.875 -8.344 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_1dft 1
. 1 . 194 . 1 1 17 SER CA C -11.179 -3.506 -7.737 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_1dft 1
. 1 . 195 . 1 1 17 SER CB C -12.248 -3.201 -8.950 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_1dft 1
. 1 . 196 . 1 1 17 SER H H -11.635 -1.413 -7.038 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_1dft 1
. 1 . 197 . 1 1 17 SER HA H -11.563 -4.383 -7.190 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_1dft 1
. 1 . 198 . 1 1 17 SER HB2 H -11.957 -2.306 -9.501 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 199 . 1 1 17 SER HB3 H -12.255 -4.037 -9.654 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 200 . 1 1 17 SER HG H -13.775 -2.093 -8.173 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_1dft 1
. 1 . 201 . 1 1 17 SER N N -11.186 -2.228 -6.709 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_1dft 1
. 1 . 202 . 1 1 17 SER O O -9.427 -5.087 -8.535 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_1dft 1
. 1 . 203 . 1 1 17 SER OG O -13.619 -3.019 -8.448 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_1dft 1
. 1 . 204 . 1 1 18 SER C C -6.128 -2.008 -8.591 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . rr_1dft 1
. 1 . 205 . 1 1 18 SER CA C -7.257 -3.005 -9.313 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . rr_1dft 1
. 1 . 206 . 1 1 18 SER CB C -7.419 -2.779 -10.925 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . rr_1dft 1
. 1 . 207 . 1 1 18 SER H H -9.013 -1.884 -8.519 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . rr_1dft 1
. 1 . 208 . 1 1 18 SER HA H -6.941 -4.033 -9.149 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . rr_1dft 1
. 1 . 209 . 1 1 18 SER HB2 H -8.258 -3.387 -11.285 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 210 . 1 1 18 SER HB3 H -7.651 -1.728 -11.134 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 211 . 1 1 18 SER HG H -6.363 -3.143 -12.607 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . rr_1dft 1
. 1 . 212 . 1 1 18 SER N N -8.736 -2.820 -8.676 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . rr_1dft 1
. 1 . 213 . 1 1 18 SER O O -6.409 -0.783 -8.464 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . rr_1dft 1
. 1 . 214 . 1 1 18 SER OG O -6.218 -3.200 -11.648 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . rr_1dft 1
. 1 . 215 . 1 1 19 CYS C C -2.398 -1.547 -8.509 . . . 1.0 . . . . . . . . . . . . A . 19 CYS C . . . . . . . . . rr_1dft 1
. 1 . 216 . 1 1 19 CYS CA C -3.654 -1.721 -7.436 . . . 1.0 . . . . . . . . . . . . A . 19 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 217 . 1 1 19 CYS CB C -3.259 -2.547 -6.021 . . . 1.0 . . . . . . . . . . . . A . 19 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 218 . 1 1 19 CYS H H -4.710 -3.524 -8.316 . . . 1.0 . . . . . . . . . . . . A . 19 CYS H . . . . . . . . . rr_1dft 1
. 1 . 219 . 1 1 19 CYS HA H -4.015 -0.711 -7.167 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 220 . 1 1 19 CYS HB2 H -4.171 -2.841 -5.508 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 221 . 1 1 19 CYS HB3 H -2.730 -3.470 -6.276 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 222 . 1 1 19 CYS HG H -1.505 -2.193 -4.495 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 223 . 1 1 19 CYS N N -4.870 -2.546 -8.151 . . . 1.0 . . . . . . . . . . . . A . 19 CYS N . . . . . . . . . rr_1dft 1
. 1 . 224 . 1 1 19 CYS O O -2.069 -2.546 -9.204 . . . 1.0 . . . . . . . . . . . . A . 19 CYS O . . . . . . . . . rr_1dft 1
. 1 . 225 . 1 1 19 CYS SG S -2.235 -1.625 -4.744 . . . 1.0 . . . . . . . . . . . . A . 19 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 226 . 1 1 20 ALA C C 0.985 0.228 -8.530 . . . 1.0 . . . . . . . . . . . . A . 20 ALA C . . . . . . . . . rr_1dft 1
. 1 . 227 . 1 1 20 ALA CA C -0.359 -0.007 -9.477 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CA . . . . . . . . . rr_1dft 1
. 1 . 228 . 1 1 20 ALA CB C -0.762 1.154 -10.527 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CB . . . . . . . . . rr_1dft 1
. 1 . 229 . 1 1 20 ALA H H -1.920 0.417 -7.914 . . . 1.0 . . . . . . . . . . . . A . 20 ALA H . . . . . . . . . rr_1dft 1
. 1 . 230 . 1 1 20 ALA HA H -0.125 -0.887 -10.065 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HA . . . . . . . . . rr_1dft 1
. 1 . 231 . 1 1 20 ALA HB1 H -1.019 2.076 -10.011 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB1 . . . . . . . . . rr_1dft 1
. 1 . 232 . 1 1 20 ALA HB2 H -1.607 0.835 -11.126 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB2 . . . . . . . . . rr_1dft 1
. 1 . 233 . 1 1 20 ALA HB3 H 0.071 1.341 -11.198 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB3 . . . . . . . . . rr_1dft 1
. 1 . 234 . 1 1 20 ALA N N -1.662 -0.306 -8.554 . . . 1.0 . . . . . . . . . . . . A . 20 ALA N . . . . . . . . . rr_1dft 1
. 1 . 235 . 1 1 20 ALA O O 1.768 1.206 -8.726 . . . 1.0 . . . . . . . . . . . . A . 20 ALA O . . . . . . . . . rr_1dft 1
. 1 . 236 . 1 1 21 CYS C C 3.265 -2.259 -6.581 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_1dft 1
. 1 . 237 . 1 1 21 CYS CA C 2.460 -0.762 -6.428 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 238 . 1 1 21 CYS CB C 1.798 -0.470 -4.933 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 239 . 1 1 21 CYS H H 0.555 -1.487 -7.378 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_1dft 1
. 1 . 240 . 1 1 21 CYS HA H 3.193 0.013 -6.658 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 241 . 1 1 21 CYS HB2 H 1.089 -1.256 -4.712 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 242 . 1 1 21 CYS HB3 H 2.602 -0.594 -4.238 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 243 . 1 1 21 CYS HG H 0.042 0.989 -4.303 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 244 . 1 1 21 CYS N N 1.227 -0.740 -7.484 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_1dft 1
. 1 . 245 . 1 1 21 CYS O O 3.638 -2.580 -7.730 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_1dft 1
. 1 . 246 . 1 1 21 CYS SG S 0.959 1.163 -4.529 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 247 . 1 1 22 LYS C C 3.196 -5.597 -4.511 . . . 1.0 . . . . . . . . . . . . A . 22 LYS C . . . . . . . . . rr_1dft 1
. 1 . 248 . 1 1 22 LYS CA C 4.194 -4.612 -5.447 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CA . . . . . . . . . rr_1dft 1
. 1 . 249 . 1 1 22 LYS CB C 5.756 -4.426 -4.901 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CB . . . . . . . . . rr_1dft 1
. 1 . 250 . 1 1 22 LYS CD C 8.092 -5.840 -4.304 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CD . . . . . . . . . rr_1dft 1
. 1 . 251 . 1 1 22 LYS CE C 9.134 -7.049 -4.694 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CE . . . . . . . . . rr_1dft 1
. 1 . 252 . 1 1 22 LYS CG C 6.755 -5.691 -5.235 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CG . . . . . . . . . rr_1dft 1
. 1 . 253 . 1 1 22 LYS H H 3.236 -2.857 -4.565 . . . 1.0 . . . . . . . . . . . . A . 22 LYS H . . . . . . . . . rr_1dft 1
. 1 . 254 . 1 1 22 LYS HA H 4.197 -5.001 -6.468 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HA . . . . . . . . . rr_1dft 1
. 1 . 255 . 1 1 22 LYS HB2 H 6.185 -3.534 -5.380 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 256 . 1 1 22 LYS HB3 H 5.721 -4.221 -3.828 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 257 . 1 1 22 LYS HD2 H 8.658 -4.920 -4.320 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD2 . . . . . . . . . rr_1dft 1
. 1 . 258 . 1 1 22 LYS HD3 H 7.771 -6.021 -3.278 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD3 . . . . . . . . . rr_1dft 1
. 1 . 259 . 1 1 22 LYS HE2 H 9.933 -7.029 -3.965 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE2 . . . . . . . . . rr_1dft 1
. 1 . 260 . 1 1 22 LYS HE3 H 8.631 -8.010 -4.616 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE3 . . . . . . . . . rr_1dft 1
. 1 . 261 . 1 1 22 LYS HG2 H 6.194 -6.621 -5.155 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG2 . . . . . . . . . rr_1dft 1
. 1 . 262 . 1 1 22 LYS HG3 H 7.061 -5.570 -6.273 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG3 . . . . . . . . . rr_1dft 1
. 1 . 263 . 1 1 22 LYS HZ1 H 9.063 -6.921 -6.877 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ1 . . . . . . . . . rr_1dft 1
. 1 . 264 . 1 1 22 LYS HZ2 H 10.420 -7.725 -6.269 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ2 . . . . . . . . . rr_1dft 1
. 1 . 265 . 1 1 22 LYS HZ3 H 10.360 -6.034 -6.189 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ3 . . . . . . . . . rr_1dft 1
. 1 . 266 . 1 1 22 LYS N N 3.516 -3.154 -5.446 . . . 1.0 . . . . . . . . . . . . A . 22 LYS N . . . . . . . . . rr_1dft 1
. 1 . 267 . 1 1 22 LYS NZ N 9.786 -6.911 -6.116 . . . 1.0 . . . . . . . . . . . . A . 22 LYS NZ . . . . . . . . . rr_1dft 1
. 1 . 268 . 1 1 22 LYS O O 2.595 -6.537 -5.072 . . . 1.0 . . . . . . . . . . . . A . 22 LYS O . . . . . . . . . rr_1dft 1
. 1 . 269 . 1 1 23 ASN C C 1.162 -4.893 -1.156 . . . 1.0 . . . . . . . . . . . . A . 23 ASN C . . . . . . . . . rr_1dft 1
. 1 . 270 . 1 1 23 ASN CA C 2.032 -6.037 -2.040 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CA . . . . . . . . . rr_1dft 1
. 1 . 271 . 1 1 23 ASN CB C 2.978 -7.056 -1.129 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CB . . . . . . . . . rr_1dft 1
. 1 . 272 . 1 1 23 ASN CG C 2.185 -8.335 -0.494 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CG . . . . . . . . . rr_1dft 1
. 1 . 273 . 1 1 23 ASN H H 3.503 -4.498 -2.732 . . . 1.0 . . . . . . . . . . . . A . 23 ASN H . . . . . . . . . rr_1dft 1
. 1 . 274 . 1 1 23 ASN HA H 1.306 -6.625 -2.623 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HA . . . . . . . . . rr_1dft 1
. 1 . 275 . 1 1 23 ASN HB2 H 3.786 -7.446 -1.753 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB2 . . . . . . . . . rr_1dft 1
. 1 . 276 . 1 1 23 ASN HB3 H 3.455 -6.496 -0.326 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB3 . . . . . . . . . rr_1dft 1
. 1 . 277 . 1 1 23 ASN HD21 H 1.541 -7.528 1.299 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD21 . . . . . . . . . rr_1dft 1
. 1 . 278 . 1 1 23 ASN HD22 H 1.154 -9.163 1.031 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD22 . . . . . . . . . rr_1dft 1
. 1 . 279 . 1 1 23 ASN N N 3.002 -5.284 -3.089 . . . 1.0 . . . . . . . . . . . . A . 23 ASN N . . . . . . . . . rr_1dft 1
. 1 . 280 . 1 1 23 ASN ND2 N 1.570 -8.331 0.712 . . . 1.0 . . . . . . . . . . . . A . 23 ASN ND2 . . . . . . . . . rr_1dft 1
. 1 . 281 . 1 1 23 ASN O O -0.054 -4.878 -1.289 . . . 1.0 . . . . . . . . . . . . A . 23 ASN O . . . . . . . . . rr_1dft 1
. 1 . 282 . 1 1 23 ASN OD1 O 2.089 -9.364 -1.148 . . . 1.0 . . . . . . . . . . . . A . 23 ASN OD1 . . . . . . . . . rr_1dft 1
. 1 . 283 . 1 1 24 CYS C C 0.768 -3.259 2.158 . . . 1.0 . . . . . . . . . . . . A . 24 CYS C . . . . . . . . . rr_1dft 1
. 1 . 284 . 1 1 24 CYS CA C 1.250 -2.713 0.662 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 285 . 1 1 24 CYS CB C -0.010 -1.728 0.093 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 286 . 1 1 24 CYS H H 2.839 -3.999 -0.273 . . . 1.0 . . . . . . . . . . . . A . 24 CYS H . . . . . . . . . rr_1dft 1
. 1 . 287 . 1 1 24 CYS HA H 2.108 -2.048 0.830 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 288 . 1 1 24 CYS HB2 H -0.952 -2.146 0.328 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 289 . 1 1 24 CYS HB3 H 0.055 -0.801 0.654 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 290 . 1 1 24 CYS HG H -0.959 -0.739 -1.753 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 291 . 1 1 24 CYS N N 1.847 -3.924 -0.300 . . . 1.0 . . . . . . . . . . . . A . 24 CYS N . . . . . . . . . rr_1dft 1
. 1 . 292 . 1 1 24 CYS O O 0.223 -4.381 2.219 . . . 1.0 . . . . . . . . . . . . A . 24 CYS O . . . . . . . . . rr_1dft 1
. 1 . 293 . 1 1 24 CYS SG S -0.143 -1.237 -1.644 . . . 1.0 . . . . . . . . . . . . A . 24 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 294 . 1 1 25 LYS C C -1.173 -1.684 4.903 . . . 1.0 . . . . . . . . . . . . A . 25 LYS C . . . . . . . . . rr_1dft 1
. 1 . 295 . 1 1 25 LYS CA C 0.214 -2.643 4.794 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CA . . . . . . . . . rr_1dft 1
. 1 . 296 . 1 1 25 LYS CB C 1.430 -2.353 5.925 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CB . . . . . . . . . rr_1dft 1
. 1 . 297 . 1 1 25 LYS CD C 2.167 -2.421 8.646 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CD . . . . . . . . . rr_1dft 1
. 1 . 298 . 1 1 25 LYS CE C 2.391 -3.562 9.809 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CE . . . . . . . . . rr_1dft 1
. 1 . 299 . 1 1 25 LYS CG C 1.068 -2.807 7.461 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CG . . . . . . . . . rr_1dft 1
. 1 . 300 . 1 1 25 LYS H H 1.173 -1.422 3.148 . . . 1.0 . . . . . . . . . . . . A . 25 LYS H . . . . . . . . . rr_1dft 1
. 1 . 301 . 1 1 25 LYS HA H -0.101 -3.698 4.873 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HA . . . . . . . . . rr_1dft 1
. 1 . 302 . 1 1 25 LYS HB2 H 2.319 -2.900 5.625 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 303 . 1 1 25 LYS HB3 H 1.670 -1.291 5.908 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 304 . 1 1 25 LYS HD2 H 3.149 -2.167 8.230 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HD2 . . . . . . . . . rr_1dft 1
. 1 . 305 . 1 1 25 LYS HD3 H 1.803 -1.527 9.145 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HD3 . . . . . . . . . rr_1dft 1
. 1 . 306 . 1 1 25 LYS HE2 H 2.949 -3.116 10.624 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HE2 . . . . . . . . . rr_1dft 1
. 1 . 307 . 1 1 25 LYS HE3 H 1.429 -3.892 10.206 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HE3 . . . . . . . . . rr_1dft 1
. 1 . 308 . 1 1 25 LYS HG2 H 0.123 -2.335 7.738 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HG2 . . . . . . . . . rr_1dft 1
. 1 . 309 . 1 1 25 LYS HG3 H 0.899 -3.884 7.446 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HG3 . . . . . . . . . rr_1dft 1
. 1 . 310 . 1 1 25 LYS HZ1 H 2.707 -5.275 8.489 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ1 . . . . . . . . . rr_1dft 1
. 1 . 311 . 1 1 25 LYS HZ2 H 3.268 -5.505 10.073 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ2 . . . . . . . . . rr_1dft 1
. 1 . 312 . 1 1 25 LYS HZ3 H 4.170 -4.539 9.012 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ3 . . . . . . . . . rr_1dft 1
. 1 . 313 . 1 1 25 LYS N N 0.823 -2.354 3.315 . . . 1.0 . . . . . . . . . . . . A . 25 LYS N . . . . . . . . . rr_1dft 1
. 1 . 314 . 1 1 25 LYS NZ N 3.194 -4.807 9.297 . . . 1.0 . . . . . . . . . . . . A . 25 LYS NZ . . . . . . . . . rr_1dft 1
. 1 . 315 . 1 1 25 LYS O O -1.173 -0.671 5.655 . . . 1.0 . . . . . . . . . . . . A . 25 LYS O . . . . . . . . . rr_1dft 1
. 1 . 316 . 1 1 26 CYS C C -5.020 -1.985 4.449 . . . 1.0 . . . . . . . . . . . . A . 26 CYS C . . . . . . . . . rr_1dft 1
. 1 . 317 . 1 1 26 CYS CA C -3.688 -1.106 3.926 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 318 . 1 1 26 CYS CB C -3.728 -0.505 2.354 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 319 . 1 1 26 CYS H H -2.240 -2.765 3.426 . . . 1.0 . . . . . . . . . . . . A . 26 CYS H . . . . . . . . . rr_1dft 1
. 1 . 320 . 1 1 26 CYS HA H -3.656 -0.243 4.625 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 321 . 1 1 26 CYS HB2 H -3.569 -1.325 1.667 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 322 . 1 1 26 CYS HB3 H -4.718 -0.110 2.165 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 323 . 1 1 26 CYS HG H -2.430 1.447 2.640 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 324 . 1 1 26 CYS N N -2.312 -1.986 4.049 . . . 1.0 . . . . . . . . . . . . A . 26 CYS N . . . . . . . . . rr_1dft 1
. 1 . 325 . 1 1 26 CYS O O -4.985 -2.331 5.654 . . . 1.0 . . . . . . . . . . . . A . 26 CYS O . . . . . . . . . rr_1dft 1
. 1 . 326 . 1 1 26 CYS SG S -2.498 0.844 1.898 . . . 1.0 . . . . . . . . . . . . A . 26 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 327 . 1 1 27 THR C C -7.474 -4.668 3.570 . . . 1.0 . . . . . . . . . . . . A . 27 THR C . . . . . . . . . rr_1dft 1
. 1 . 328 . 1 1 27 THR CA C -7.541 -3.115 4.125 . . . 1.0 . . . . . . . . . . . . A . 27 THR CA . . . . . . . . . rr_1dft 1
. 1 . 329 . 1 1 27 THR CB C -8.935 -2.226 3.726 . . . 1.0 . . . . . . . . . . . . A . 27 THR CB . . . . . . . . . rr_1dft 1
. 1 . 330 . 1 1 27 THR CG2 C -9.034 -0.749 4.393 . . . 1.0 . . . . . . . . . . . . A . 27 THR CG2 . . . . . . . . . rr_1dft 1
. 1 . 331 . 1 1 27 THR H H -6.209 -2.005 2.678 . . . 1.0 . . . . . . . . . . . . A . 27 THR H . . . . . . . . . rr_1dft 1
. 1 . 332 . 1 1 27 THR HA H -7.523 -3.194 5.220 . . . 1.0 . . . . . . . . . . . . A . 27 THR HA . . . . . . . . . rr_1dft 1
. 1 . 333 . 1 1 27 THR HB H -9.770 -2.789 4.136 . . . 1.0 . . . . . . . . . . . . A . 27 THR HB . . . . . . . . . rr_1dft 1
. 1 . 334 . 1 1 27 THR HG1 H -8.441 -1.885 1.730 . . . 1.0 . . . . . . . . . . . . A . 27 THR HG1 . . . . . . . . . rr_1dft 1
. 1 . 335 . 1 1 27 THR HG21 H -8.940 -0.809 5.478 . . . 1.0 . . . . . . . . . . . . A . 27 THR HG21 . . . . . . . . . rr_1dft 1
. 1 . 336 . 1 1 27 THR HG22 H -9.989 -0.300 4.159 . . . 1.0 . . . . . . . . . . . . A . 27 THR HG22 . . . . . . . . . rr_1dft 1
. 1 . 337 . 1 1 27 THR HG23 H -8.246 -0.121 4.001 . . . 1.0 . . . . . . . . . . . . A . 27 THR HG23 . . . . . . . . . rr_1dft 1
. 1 . 338 . 1 1 27 THR N N -6.201 -2.311 3.621 . . . 1.0 . . . . . . . . . . . . A . 27 THR N . . . . . . . . . rr_1dft 1
. 1 . 339 . 1 1 27 THR O O -6.959 -5.511 4.341 . . . 1.0 . . . . . . . . . . . . A . 27 THR O . . . . . . . . . rr_1dft 1
. 1 . 340 . 1 1 27 THR OG1 O -9.218 -2.130 2.272 . . . 1.0 . . . . . . . . . . . . A . 27 THR OG1 . . . . . . . . . rr_1dft 1
. 1 . 341 . 1 1 28 SER C C -6.183 -6.843 0.976 . . . 1.0 . . . . . . . . . . . . A . 28 SER C . . . . . . . . . rr_1dft 1
. 1 . 342 . 1 1 28 SER CA C -7.722 -6.571 1.586 . . . 1.0 . . . . . . . . . . . . A . 28 SER CA . . . . . . . . . rr_1dft 1
. 1 . 343 . 1 1 28 SER CB C -8.937 -6.814 0.505 . . . 1.0 . . . . . . . . . . . . A . 28 SER CB . . . . . . . . . rr_1dft 1
. 1 . 344 . 1 1 28 SER H H -8.202 -4.338 1.598 . . . 1.0 . . . . . . . . . . . . A . 28 SER H . . . . . . . . . rr_1dft 1
. 1 . 345 . 1 1 28 SER HA H -7.858 -7.303 2.397 . . . 1.0 . . . . . . . . . . . . A . 28 SER HA . . . . . . . . . rr_1dft 1
. 1 . 346 . 1 1 28 SER HB2 H -9.882 -6.578 0.977 . . . 1.0 . . . . . . . . . . . . A . 28 SER HB2 . . . . . . . . . rr_1dft 1
. 1 . 347 . 1 1 28 SER HB3 H -8.814 -6.150 -0.355 . . . 1.0 . . . . . . . . . . . . A . 28 SER HB3 . . . . . . . . . rr_1dft 1
. 1 . 348 . 1 1 28 SER HG H -8.583 -8.346 -0.780 . . . 1.0 . . . . . . . . . . . . A . 28 SER HG . . . . . . . . . rr_1dft 1
. 1 . 349 . 1 1 28 SER N N -7.882 -5.057 2.215 . . . 1.0 . . . . . . . . . . . . A . 28 SER N . . . . . . . . . rr_1dft 1
. 1 . 350 . 1 1 28 SER O O -5.923 -7.991 0.530 . . . 1.0 . . . . . . . . . . . . A . 28 SER O . . . . . . . . . rr_1dft 1
. 1 . 351 . 1 1 28 SER OG O -9.026 -8.219 0.078 . . . 1.0 . . . . . . . . . . . . A . 28 SER OG . . . . . . . . . rr_1dft 1
. 1 . 352 . 1 1 29 CYS C C -2.813 -6.893 1.742 . . . 1.0 . . . . . . . . . . . . A . 29 CYS C . . . . . . . . . rr_1dft 1
. 1 . 353 . 1 1 29 CYS CA C -3.570 -5.949 0.582 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CA . . . . . . . . . rr_1dft 1
. 1 . 354 . 1 1 29 CYS CB C -2.964 -4.388 0.383 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CB . . . . . . . . . rr_1dft 1
. 1 . 355 . 1 1 29 CYS H H -5.346 -4.964 1.488 . . . 1.0 . . . . . . . . . . . . A . 29 CYS H . . . . . . . . . rr_1dft 1
. 1 . 356 . 1 1 29 CYS HA H -3.531 -6.491 -0.379 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HA . . . . . . . . . rr_1dft 1
. 1 . 357 . 1 1 29 CYS HB2 H -3.263 -3.775 1.235 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 358 . 1 1 29 CYS HB3 H -1.899 -4.417 0.392 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 359 . 1 1 29 CYS HG H -4.480 -3.325 -1.104 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HG . . . . . . . . . rr_1dft 1
. 1 . 360 . 1 1 29 CYS N N -5.126 -5.820 1.053 . . . 1.0 . . . . . . . . . . . . A . 29 CYS N . . . . . . . . . rr_1dft 1
. 1 . 361 . 1 1 29 CYS O O -2.501 -8.065 1.422 . . . 1.0 . . . . . . . . . . . . A . 29 CYS O . . . . . . . . . rr_1dft 1
. 1 . 362 . 1 1 29 CYS SG S -3.534 -3.477 -1.182 . . . 1.0 . . . . . . . . . . . . A . 29 CYS SG . . . . . . . . . rr_1dft 1
. 1 . 363 . 1 1 30 LYS C C -2.640 -6.564 5.842 . . . 1.0 . . . . . . . . . . . . A . 30 LYS C . . . . . . . . . rr_1dft 1
. 1 . 364 . 1 1 30 LYS CA C -2.172 -7.274 4.432 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CA . . . . . . . . . rr_1dft 1
. 1 . 365 . 1 1 30 LYS CB C -0.536 -7.637 4.380 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CB . . . . . . . . . rr_1dft 1
. 1 . 366 . 1 1 30 LYS CD C 1.373 -9.577 5.186 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CD . . . . . . . . . rr_1dft 1
. 1 . 367 . 1 1 30 LYS CE C 1.338 -11.192 5.539 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CE . . . . . . . . . rr_1dft 1
. 1 . 368 . 1 1 30 LYS CG C -0.058 -8.808 5.459 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CG . . . . . . . . . rr_1dft 1
. 1 . 369 . 1 1 30 LYS H H -3.071 -5.513 3.301 . . . 1.0 . . . . . . . . . . . . A . 30 LYS H . . . . . . . . . rr_1dft 1
. 1 . 370 . 1 1 30 LYS HA H -2.717 -8.231 4.373 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HA . . . . . . . . . rr_1dft 1
. 1 . 371 . 1 1 30 LYS HB2 H -0.323 -7.987 3.372 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB2 . . . . . . . . . rr_1dft 1
. 1 . 372 . 1 1 30 LYS HB3 H 0.055 -6.740 4.544 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB3 . . . . . . . . . rr_1dft 1
. 1 . 373 . 1 1 30 LYS HD2 H 1.686 -9.472 4.148 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD2 . . . . . . . . . rr_1dft 1
. 1 . 374 . 1 1 30 LYS HD3 H 2.133 -9.112 5.806 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD3 . . . . . . . . . rr_1dft 1
. 1 . 375 . 1 1 30 LYS HE2 H 1.025 -11.335 6.573 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE2 . . . . . . . . . rr_1dft 1
. 1 . 376 . 1 1 30 LYS HE3 H 0.616 -11.693 4.885 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE3 . . . . . . . . . rr_1dft 1
. 1 . 377 . 1 1 30 LYS HG2 H -0.003 -8.333 6.433 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG2 . . . . . . . . . rr_1dft 1
. 1 . 378 . 1 1 30 LYS HG3 H -0.858 -9.554 5.517 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG3 . . . . . . . . . rr_1dft 1
. 1 . 379 . 1 1 30 LYS HZ1 H 2.620 -12.902 5.584 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ1 . . . . . . . . . rr_1dft 1
. 1 . 380 . 1 1 30 LYS HZ2 H 3.426 -11.487 6.049 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ2 . . . . . . . . . rr_1dft 1
. 1 . 381 . 1 1 30 LYS HZ3 H 3.098 -11.792 4.390 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ3 . . . . . . . . . rr_1dft 1
. 1 . 382 . 1 1 30 LYS N N -2.694 -6.423 3.120 . . . 1.0 . . . . . . . . . . . . A . 30 LYS N . . . . . . . . . rr_1dft 1
. 1 . 383 . 1 1 30 LYS NZ N 2.727 -11.880 5.371 . . . 1.0 . . . . . . . . . . . . A . 30 LYS NZ . . . . . . . . . rr_1dft 1
. 1 . 384 . 1 1 30 LYS O O -2.462 -5.355 5.988 . . . 1.0 . . . . . . . . . . . . A . 30 LYS O . . . . . . . . . rr_1dft 1
. 1 . 385 . 1 1 30 LYS OXT O -3.136 -7.272 6.732 . . . 1.0 . . . . . . . . . . . . A . 30 LYS OXT . . . . . . . . . rr_1dft 1
. 1 . 386 . 2 2 1 CD CD Cd -2.609 -1.347 -2.247 . . . 1.0 . . . . . . . . . . . . A . 31 CD CD . . . . . . . . . rr_1dft 1
. 1 . 387 . 3 2 1 CD CD Cd 0.642 1.159 -1.972 . . . 1.0 . . . . . . . . . . . . A . 32 CD CD . . . . . . . . . rr_1dft 1
. 1 . 388 . 4 2 1 CD CD Cd -2.806 2.152 -0.247 . . . 1.0 . . . . . . . . . . . . A . 33 CD CD . . . . . . . . . rr_1dft 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_1dft
_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 1dft.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . XPLOR/CNS 3 distance NOE simple 103 rr_1dft 1
1 1dft.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1dft 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_1dft
_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: '1dft'" . . . . distance "general distance" . 103 rr_1dft 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 1dft.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . XPLOR/CNS 3 distance NOE simple 103 rr_1dft 1
1 1dft.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1dft 1
1 1dft.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1dft 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1dft
_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 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1dft 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 25 25 LYS H H . . . 1 1 26 26 CYS H H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS H . . A . 26 CYS H . . . 25 . HN . . . . . 26 . HN . . rr_1dft 1
2 1 . . 1 1 20 20 ALA H H . . . 1 1 21 21 CYS H H . . . . . 1.8 1.8 2.8 . . . . . A . 20 ALA H . . A . 21 CYS H . . . 20 . HN . . . . . 21 . HN . . rr_1dft 1
3 1 . . 1 1 22 22 LYS H H . . . 1 1 23 23 ASN H H . . . . . 1.8 1.8 4.4 . . . . . A . 22 LYS H . . A . 23 ASN H . . . 22 . HN . . . . . 23 . HN . . rr_1dft 1
4 1 . . 1 1 27 27 THR H H . . . 1 1 28 28 SER H H . . . . . 1.8 1.8 4.4 . . . . . A . 27 THR H . . A . 28 SER H . . . 27 . HN . . . . . 28 . HN . . rr_1dft 1
5 1 . . 1 1 26 26 CYS H H . . . 1 1 27 27 THR H H . . . . . 1.8 1.8 4.4 . . . . . A . 26 CYS H . . A . 27 THR H . . . 26 . HN . . . . . 27 . HN . . rr_1dft 1
6 1 . . 1 1 22 22 LYS H H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 4.4 . . . . . A . 22 LYS H . . A . 24 CYS H . . . 22 . HN . . . . . 24 . HN . . rr_1dft 1
7 1 . . 1 1 23 23 ASN H H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 24 CYS H . . . 23 . HN . . . . . 24 . HN . . rr_1dft 1
8 1 . . 1 1 16 16 THR H H . . . 1 1 17 17 SER H H . . . . . 1.8 1.8 4.4 . . . . . A . 16 THR H . . A . 17 SER H . . . 16 . HN . . . . . 17 . HN . . rr_1dft 1
9 1 . . 1 1 17 17 SER H H . . . 1 1 18 18 SER H H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 18 SER H . . . 17 . HN . . . . . 18 . HN . . rr_1dft 1
10 1 . . 1 1 18 18 SER H H . . . 1 1 19 19 CYS H H . . . . . 1.8 1.8 4.4 . . . . . A . 19 CYS H . . A . 18 SER H . . . 19 . HN . . . . . 18 . HN . . rr_1dft 1
11 1 . . 1 1 29 29 CYS H H . . . 1 1 30 30 LYS H H . . . . . 1.8 1.8 2.8 . . . . . A . 29 CYS H . . A . 30 LYS H . . . 29 . HN . . . . . 30 . HN . . rr_1dft 1
12 1 OR . 1 1 1 1 MET N N . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 4.9 . . . . . A . 1 MET N . . A . 2 ASP HB2 . . . 1 . N . . . . . 2 . HB# . . rr_1dft 1
12 2 OR . 1 1 1 1 MET N N . . . 1 1 2 2 ASP HB3 H . . . . . 1.8 1.8 4.9 . . . . . A . 1 MET N . . A . 2 ASP HB3 . . . 1 . N . . . . . 2 . HB# . . rr_1dft 1
13 1 OR . 1 1 1 1 MET N N . . . 1 1 3 3 PRO HG2 H . . . . . 1.8 1.8 4.9 . . . . . A . 1 MET N . . A . 3 PRO HG2 . . . 1 . N . . . . . 3 . HG# . . rr_1dft 1
13 2 OR . 1 1 1 1 MET N N . . . 1 1 3 3 PRO HG3 H . . . . . 1.8 1.8 4.9 . . . . . A . 1 MET N . . A . 3 PRO HG3 . . . 1 . N . . . . . 3 . HG# . . rr_1dft 1
14 1 OR . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1dft 1
14 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP H H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1dft 1
15 1 . . 1 1 4 4 ASN H H . . . 1 1 4 4 ASN HA H . . . . . 1.8 1.8 2.8 . . . . . A . 4 ASN H . . A . 4 ASN HA . . . 4 . HN . . . . . 4 . HA . . rr_1dft 1
16 1 . . 1 1 4 4 ASN H H . . . 1 1 3 3 PRO HA H . . . . . 1.8 1.8 4.4 . . . . . A . 4 ASN H . . A . 3 PRO HA . . . 4 . HN . . . . . 3 . HA . . rr_1dft 1
17 1 OR . 1 1 4 4 ASN H H . . . 1 1 3 3 PRO HD2 H . . . . . 1.8 1.8 4.4 . . . . . A . 4 ASN H . . A . 3 PRO HD2 . . . 4 . HN . . . . . 3 . HD# . . rr_1dft 1
17 2 OR . 1 1 4 4 ASN H H . . . 1 1 3 3 PRO HD3 H . . . . . 1.8 1.8 4.4 . . . . . A . 4 ASN H . . A . 3 PRO HD3 . . . 4 . HN . . . . . 3 . HD# . . rr_1dft 1
18 1 OR . 1 1 4 4 ASN H H . . . 1 1 4 4 ASN HD22 H . . . . . 1.8 1.8 2.8 . . . . . A . 4 ASN H . . A . 4 ASN HD22 . . . 4 . HN . . . . . 4 . HD2# . . rr_1dft 1
18 2 OR . 1 1 4 4 ASN H H . . . 1 1 4 4 ASN HD21 H . . . . . 1.8 1.8 2.8 . . . . . A . 4 ASN H . . A . 4 ASN HD21 . . . 4 . HN . . . . . 4 . HD2# . . rr_1dft 1
19 1 OR . 1 1 4 4 ASN H H . . . 1 1 4 4 ASN HB2 H . . . . . 1.8 1.8 2.4 . . . . . A . 4 ASN H . . A . 4 ASN HB2 . . . 4 . HN . . . . . 4 . HB# . . rr_1dft 1
19 2 OR . 1 1 4 4 ASN H H . . . 1 1 4 4 ASN HB3 H . . . . . 1.8 1.8 2.4 . . . . . A . 4 ASN H . . A . 4 ASN HB3 . . . 4 . HN . . . . . 4 . HB# . . rr_1dft 1
20 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HA H . . . . . 1.8 1.8 2.8 . . . . . A . 6 SER H . . A . 6 SER HA . . . 6 . HN . . . . . 6 . HA . . rr_1dft 1
21 1 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 8 SER H . . A . 8 SER HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1dft 1
21 2 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 8 SER H . . A . 8 SER HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_1dft 1
22 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HA H . . . . . 1.8 1.8 4.4 . . . . . A . 8 SER H . . A . 8 SER HA . . . 8 . HN . . . . . 8 . HA . . rr_1dft 1
23 1 . . 1 1 6 6 SER HA H . . . 1 1 8 8 SER H H . . . . . 1.8 1.8 4.4 . . . . . A . 8 SER H . . A . 6 SER HA . . . 8 . HN . . . . . 6 . HA . . rr_1dft 1
24 1 . . 1 1 8 8 SER HA H . . . 1 1 9 9 THR H H . . . . . 1.8 1.8 4.4 . . . . . A . 9 THR H . . A . 8 SER HA . . . 9 . HN . . . . . 8 . HA . . rr_1dft 1
25 1 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR MG H . . . . . 1.8 1.8 4.9 . . . . . A . 9 THR H . . A . 9 THR MG . . . 9 . HN . . . . . 9 . HG# . . rr_1dft 1
25 2 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR HG1 H . . . . . 1.8 1.8 4.9 . . . . . A . 9 THR H . . A . 9 THR HG1 . . . 9 . HN . . . . . 9 . HG# . . rr_1dft 1
26 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 9 THR H . . A . 9 THR HA . . . 9 . HN . . . . . 9 . HA . . rr_1dft 1
27 1 OR . 1 1 12 12 SER H H . . . 1 1 11 11 GLY HA2 H . . . . . 1.8 1.8 4.4 . . . . . A . 12 SER H . . A . 11 GLY HA2 . . . 12 . HN . . . . . 11 . HA# . . rr_1dft 1
27 2 OR . 1 1 12 12 SER H H . . . 1 1 11 11 GLY HA3 H . . . . . 1.8 1.8 4.4 . . . . . A . 12 SER H . . A . 11 GLY HA3 . . . 12 . HN . . . . . 11 . HA# . . rr_1dft 1
28 1 OR . 1 1 15 15 CYS H H . . . 1 1 16 16 THR MG H . . . . . 1.8 1.8 4.9 . . . . . A . 15 CYS H . . A . 16 THR MG . . . 15 . HN . . . . . 16 . HG# . . rr_1dft 1
28 2 OR . 1 1 15 15 CYS H H . . . 1 1 16 16 THR HG1 H . . . . . 1.8 1.8 4.9 . . . . . A . 15 CYS H . . A . 16 THR HG1 . . . 15 . HN . . . . . 16 . HG# . . rr_1dft 1
29 1 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1dft 1
29 2 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . . . 15 . HN . . . . . 15 . HB# . . rr_1dft 1
30 1 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR MG H . . . . . 1.8 1.8 3.3 . . . . . A . 16 THR H . . A . 16 THR MG . . . 16 . HN . . . . . 16 . HG# . . rr_1dft 1
30 2 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR HG1 H . . . . . 1.8 1.8 3.3 . . . . . A . 16 THR H . . A . 16 THR HG1 . . . 16 . HN . . . . . 16 . HG# . . rr_1dft 1
31 1 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 17 SER HB2 . . . 17 . HN . . . . . 17 . HB# . . rr_1dft 1
31 2 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 17 SER HB3 . . . 17 . HN . . . . . 17 . HB# . . rr_1dft 1
32 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 16 THR HA . . . 17 . HN . . . . . 16 . HA . . rr_1dft 1
33 1 OR . 1 1 17 17 SER H H . . . 1 1 16 16 THR MG H . . . . . 1.8 1.8 4.9 . . . . . A . 17 SER H . . A . 16 THR MG . . . 17 . HN . . . . . 16 . HG# . . rr_1dft 1
33 2 OR . 1 1 17 17 SER H H . . . 1 1 16 16 THR HG1 H . . . . . 1.8 1.8 4.9 . . . . . A . 17 SER H . . A . 16 THR HG1 . . . 17 . HN . . . . . 16 . HG# . . rr_1dft 1
34 1 OR . 1 1 17 17 SER H H . . . 1 1 18 18 SER HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 18 SER HB2 . . . 17 . HN . . . . . 18 . HB# . . rr_1dft 1
34 2 OR . 1 1 17 17 SER H H . . . 1 1 18 18 SER HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 17 SER H . . A . 18 SER HB3 . . . 17 . HN . . . . . 18 . HB# . . rr_1dft 1
35 1 . . 1 1 18 18 SER H H . . . 1 1 18 18 SER HA H . . . . . 1.8 1.8 2.4 . . . . . A . 18 SER H . . A . 18 SER HA . . . 18 . HN . . . . . 18 . HA . . rr_1dft 1
36 1 OR . 1 1 18 18 SER H H . . . 1 1 18 18 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 18 SER H . . A . 18 SER HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1dft 1
36 2 OR . 1 1 18 18 SER H H . . . 1 1 18 18 SER HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 18 SER H . . A . 18 SER HB3 . . . 18 . HN . . . . . 18 . HB# . . rr_1dft 1
37 1 OR . 1 1 18 18 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 18 SER H . . A . 17 SER HB2 . . . 18 . HN . . . . . 17 . HB# . . rr_1dft 1
37 2 OR . 1 1 18 18 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 18 SER H . . A . 17 SER HB3 . . . 18 . HN . . . . . 17 . HB# . . rr_1dft 1
38 1 OR . 1 1 18 18 SER H H . . . 1 1 16 16 THR MG H . . . . . 1.8 1.8 4.9 . . . . . A . 18 SER H . . A . 16 THR MG . . . 18 . HN . . . . . 16 . HG# . . rr_1dft 1
38 2 OR . 1 1 18 18 SER H H . . . 1 1 16 16 THR HG1 H . . . . . 1.8 1.8 4.9 . . . . . A . 18 SER H . . A . 16 THR HG1 . . . 18 . HN . . . . . 16 . HG# . . rr_1dft 1
39 1 . . 1 1 18 18 SER H H . . . 1 1 16 16 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 18 SER H . . A . 16 THR HA . . . 18 . HN . . . . . 16 . HA . . rr_1dft 1
40 1 . . 1 1 19 19 CYS H H . . . 1 1 19 19 CYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 19 CYS H . . A . 19 CYS HA . . . 19 . HN . . . . . 19 . HA . . rr_1dft 1
41 1 OR . 1 1 19 19 CYS H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 19 CYS H . . A . 19 CYS HB2 . . . 19 . HN . . . . . 19 . HB# . . rr_1dft 1
41 2 OR . 1 1 19 19 CYS H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 19 CYS H . . A . 19 CYS HB3 . . . 19 . HN . . . . . 19 . HB# . . rr_1dft 1
42 1 OR . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 19 CYS H . . A . 18 SER HB2 . . . 19 . HN . . . . . 18 . HB# . . rr_1dft 1
42 2 OR . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 19 CYS H . . A . 18 SER HB3 . . . 19 . HN . . . . . 18 . HB# . . rr_1dft 1
43 1 . . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HA H . . . . . 1.8 1.8 2.8 . . . . . A . 19 CYS H . . A . 18 SER HA . . . 19 . HN . . . . . 18 . HA . . rr_1dft 1
44 1 . . 1 1 20 20 ALA H H . . . 1 1 20 20 ALA HA H . . . . . 1.8 1.8 2.8 . . . . . A . 20 ALA H . . A . 20 ALA HA . . . 20 . HN . . . . . 20 . HA . . rr_1dft 1
45 1 . . 1 1 20 20 ALA H H . . . 1 1 19 19 CYS HA H . . . . . 1.8 1.8 2.8 . . . . . A . 20 ALA H . . A . 19 CYS HA . . . 20 . HN . . . . . 19 . HA . . rr_1dft 1
46 1 OR . 1 1 20 20 ALA H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 20 ALA H . . A . 19 CYS HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1dft 1
46 2 OR . 1 1 20 20 ALA H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 20 ALA H . . A . 19 CYS HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1dft 1
47 1 . . 1 1 20 20 ALA H H . . . 1 1 20 20 ALA MB H . . . . . 1.8 1.8 3.3 . . . . . A . 20 ALA H . . A . 20 ALA MB . . . 20 . HN . . . . . 20 . HB# . . rr_1dft 1
48 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS H . . A . 21 CYS HA . . . 21 . HN . . . . . 21 . HA . . rr_1dft 1
49 1 OR . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 2.4 . . . . . A . 21 CYS H . . A . 21 CYS HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1dft 1
49 2 OR . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB3 H . . . . . 1.8 1.8 2.4 . . . . . A . 21 CYS H . . A . 21 CYS HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1dft 1
50 1 . . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HA H . . . . . 1.8 1.8 2.8 . . . . . A . 22 LYS H . . A . 22 LYS HA . . . 22 . HN . . . . . 22 . HA . . rr_1dft 1
51 1 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 22 LYS H . . A . 22 LYS HB2 . . . 22 . HN . . . . . 22 . HB# . . rr_1dft 1
51 2 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 22 LYS H . . A . 22 LYS HB3 . . . 22 . HN . . . . . 22 . HB# . . rr_1dft 1
52 1 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HG2 H . . . . . 1.8 1.8 4.4 . . . . . A . 22 LYS H . . A . 22 LYS HG2 . . . 22 . HN . . . . . 22 . HG# . . rr_1dft 1
52 2 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HG3 H . . . . . 1.8 1.8 4.4 . . . . . A . 22 LYS H . . A . 22 LYS HG3 . . . 22 . HN . . . . . 22 . HG# . . rr_1dft 1
53 1 . . 1 1 23 23 ASN H H . . . 1 1 4 4 ASN HA H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 4 ASN HA . . . 23 . HN . . . . . 4 . HA . . rr_1dft 1
54 1 OR . 1 1 23 23 ASN H H . . . 1 1 4 4 ASN HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 4 ASN HB2 . . . 23 . HN . . . . . 4 . HB# . . rr_1dft 1
54 2 OR . 1 1 23 23 ASN H H . . . 1 1 4 4 ASN HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 4 ASN HB3 . . . 23 . HN . . . . . 4 . HB# . . rr_1dft 1
55 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HA H . . . . . 1.8 1.8 2.8 . . . . . A . 23 ASN H . . A . 23 ASN HA . . . 23 . HN . . . . . 23 . HA . . rr_1dft 1
56 1 . . 1 1 23 23 ASN H H . . . 1 1 22 22 LYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 22 LYS HA . . . 23 . HN . . . . . 22 . HA . . rr_1dft 1
57 1 OR . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 23 ASN HB2 . . . 23 . HN . . . . . 23 . HB# . . rr_1dft 1
57 2 OR . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 23 ASN HB3 . . . 23 . HN . . . . . 23 . HB# . . rr_1dft 1
58 1 OR . 1 1 23 23 ASN H H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 22 LYS HB2 . . . 23 . HN . . . . . 22 . HB# . . rr_1dft 1
58 2 OR . 1 1 23 23 ASN H H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN H . . A . 22 LYS HB3 . . . 23 . HN . . . . . 22 . HB# . . rr_1dft 1
59 1 . . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS H . . A . 25 LYS HA . . . 25 . HN . . . . . 25 . HA . . rr_1dft 1
60 1 . . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 26 CYS H . . A . 26 CYS HA . . . 26 . HN . . . . . 26 . HA . . rr_1dft 1
61 1 . . 1 1 26 26 CYS H H . . . 1 1 25 25 LYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 26 CYS H . . A . 25 LYS HA . . . 26 . HN . . . . . 25 . HA . . rr_1dft 1
62 1 OR . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 26 CYS H . . A . 26 CYS HB2 . . . 26 . HN . . . . . 26 . HB# . . rr_1dft 1
62 2 OR . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 26 CYS H . . A . 26 CYS HB3 . . . 26 . HN . . . . . 26 . HB# . . rr_1dft 1
63 1 . . 1 1 27 27 THR H H . . . 1 1 27 27 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 27 THR H . . A . 27 THR HA . . . 27 . HN . . . . . 27 . HA . . rr_1dft 1
64 1 OR . 1 1 27 27 THR H H . . . 1 1 26 26 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 27 THR H . . A . 26 CYS HB2 . . . 27 . HN . . . . . 26 . HB# . . rr_1dft 1
64 2 OR . 1 1 27 27 THR H H . . . 1 1 26 26 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 27 THR H . . A . 26 CYS HB3 . . . 27 . HN . . . . . 26 . HB# . . rr_1dft 1
65 1 OR . 1 1 27 27 THR H H . . . 1 1 27 27 THR MG H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR H . . A . 27 THR MG . . . 27 . HN . . . . . 27 . HG# . . rr_1dft 1
65 2 OR . 1 1 27 27 THR H H . . . 1 1 27 27 THR HG1 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR H . . A . 27 THR HG1 . . . 27 . HN . . . . . 27 . HG# . . rr_1dft 1
66 1 OR . 1 1 28 28 SER H H . . . 1 1 28 28 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 28 SER H . . A . 28 SER HB2 . . . 28 . HN . . . . . 28 . HB# . . rr_1dft 1
66 2 OR . 1 1 28 28 SER H H . . . 1 1 28 28 SER HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 28 SER H . . A . 28 SER HB3 . . . 28 . HN . . . . . 28 . HB# . . rr_1dft 1
67 1 . . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 2.8 . . . . . A . 29 CYS H . . A . 29 CYS HA . . . 29 . HN . . . . . 29 . HA . . rr_1dft 1
68 1 . . 1 1 29 29 CYS H H . . . 1 1 27 27 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS H . . A . 27 THR HA . . . 29 . HN . . . . . 27 . HA . . rr_1dft 1
69 1 . . 1 1 29 29 CYS H H . . . 1 1 27 27 THR HB H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS H . . A . 27 THR HB . . . 29 . HN . . . . . 27 . HB . . rr_1dft 1
70 1 OR . 1 1 29 29 CYS H H . . . 1 1 26 26 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS H . . A . 26 CYS HB2 . . . 29 . HN . . . . . 26 . HB# . . rr_1dft 1
70 2 OR . 1 1 29 29 CYS H H . . . 1 1 26 26 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS H . . A . 26 CYS HB3 . . . 29 . HN . . . . . 26 . HB# . . rr_1dft 1
71 1 OR . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 29 CYS H . . A . 29 CYS HB2 . . . 29 . HN . . . . . 29 . HB# . . rr_1dft 1
71 2 OR . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 29 CYS H . . A . 29 CYS HB3 . . . 29 . HN . . . . . 29 . HB# . . rr_1dft 1
72 1 . . 1 1 30 30 LYS H H . . . 1 1 30 30 LYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 30 LYS H . . A . 30 LYS HA . . . 30 . HN . . . . . 30 . HA . . rr_1dft 1
73 1 OR . 1 1 30 30 LYS H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 30 LYS H . . A . 29 CYS HB2 . . . 30 . HN . . . . . 29 . HB# . . rr_1dft 1
73 2 OR . 1 1 30 30 LYS H H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 30 LYS H . . A . 29 CYS HB3 . . . 30 . HN . . . . . 29 . HB# . . rr_1dft 1
74 1 OR . 1 1 1 1 MET HA H . . . 1 1 1 1 MET HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 1 MET HA . . A . 1 MET HB2 . . . 1 . HA . . . . . 1 . HB# . . rr_1dft 1
74 2 OR . 1 1 1 1 MET HA H . . . 1 1 1 1 MET HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 1 MET HA . . A . 1 MET HB3 . . . 1 . HA . . . . . 1 . HB# . . rr_1dft 1
75 1 OR . 1 1 2 2 ASP HA H . . . 1 1 3 3 PRO HD2 H . . . . . 1.8 1.8 2.8 . . . . . A . 2 ASP HA . . A . 3 PRO HD2 . . . 2 . HA . . . . . 3 . HD# . . rr_1dft 1
75 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 2.8 . . . . . A . 2 ASP HA . . A . 3 PRO HD3 . . . 2 . HA . . . . . 3 . HD# . . rr_1dft 1
76 1 OR . 1 1 2 2 ASP HA H . . . 1 1 3 3 PRO HG2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HA . . A . 3 PRO HG2 . . . 2 . HA . . . . . 3 . HG# . . rr_1dft 1
76 2 OR . 1 1 3 3 PRO HG3 H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HA . . A . 3 PRO HG3 . . . 2 . HA . . . . . 3 . HG# . . rr_1dft 1
77 1 OR . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . . . 2 . HA . . . . . 2 . HB# . . rr_1dft 1
77 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . . . 2 . HA . . . . . 2 . HB# . . rr_1dft 1
78 1 OR . 1 1 4 4 ASN HA H . . . 1 1 4 4 ASN HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 4 ASN HA . . A . 4 ASN HB2 . . . 4 . HA . . . . . 4 . HB# . . rr_1dft 1
78 2 OR . 1 1 4 4 ASN HA H . . . 1 1 4 4 ASN HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 4 ASN HA . . A . 4 ASN HB3 . . . 4 . HA . . . . . 4 . HB# . . rr_1dft 1
79 1 OR . 1 1 4 4 ASN HA H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 4 ASN HA . . A . 22 LYS HB2 . . . 4 . HA . . . . . 22 . HB# . . rr_1dft 1
79 2 OR . 1 1 4 4 ASN HA H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 4 ASN HA . . A . 22 LYS HB3 . . . 4 . HA . . . . . 22 . HB# . . rr_1dft 1
80 1 OR . 1 1 5 5 CYS HA H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HA . . A . 21 CYS HB2 . . . 5 . HA . . . . . 21 . HB# . . rr_1dft 1
80 2 OR . 1 1 21 21 CYS HB3 H . . . 1 1 5 5 CYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HA . . A . 21 CYS HB3 . . . 5 . HA . . . . . 21 . HB# . . rr_1dft 1
81 1 OR . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 6 SER HA . . A . 6 SER HB2 . . . 6 . HA . . . . . 6 . HB# . . rr_1dft 1
81 2 OR . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 6 SER HA . . A . 6 SER HB3 . . . 6 . HA . . . . . 6 . HB# . . rr_1dft 1
82 1 OR . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 7 CYS HA . . A . 7 CYS HB2 . . . 7 . HA . . . . . 7 . HB# . . rr_1dft 1
82 2 OR . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 7 CYS HA . . A . 7 CYS HB3 . . . 7 . HA . . . . . 7 . HB# . . rr_1dft 1
83 1 OR . 1 1 8 8 SER HA H . . . 1 1 8 8 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 8 SER HA . . A . 8 SER HB2 . . . 8 . HA . . . . . 8 . HB# . . rr_1dft 1
83 2 OR . 1 1 8 8 SER HB3 H . . . 1 1 8 8 SER HA H . . . . . 1.8 1.8 2.8 . . . . . A . 8 SER HA . . A . 8 SER HB3 . . . 8 . HA . . . . . 8 . HB# . . rr_1dft 1
84 1 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 12 SER HA . . A . 12 SER HB2 . . . 12 . HA . . . . . 12 . HB# . . rr_1dft 1
84 2 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . 1.8 1.8 2.8 . . . . . A . 12 SER HA . . A . 12 SER HB3 . . . 12 . HA . . . . . 12 . HB# . . rr_1dft 1
85 1 OR . 1 1 14 14 THR HA H . . . 1 1 15 15 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 14 THR HA . . A . 15 CYS HB2 . . . 14 . HA . . . . . 15 . HB# . . rr_1dft 1
85 2 OR . 1 1 15 15 CYS HB3 H . . . 1 1 14 14 THR HA H . . . . . 1.8 1.8 4.4 . . . . . A . 14 THR HA . . A . 15 CYS HB3 . . . 14 . HA . . . . . 15 . HB# . . rr_1dft 1
86 1 OR . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB2 H . . . . . 1.8 1.8 2.8 . . . . . A . 17 SER HA . . A . 17 SER HB2 . . . 17 . HA . . . . . 17 . HB# . . rr_1dft 1
86 2 OR . 1 1 17 17 SER HB3 H . . . 1 1 17 17 SER HA H . . . . . 1.8 1.8 2.8 . . . . . A . 17 SER HA . . A . 17 SER HB3 . . . 17 . HA . . . . . 17 . HB# . . rr_1dft 1
87 1 . . 1 1 20 20 ALA HA H . . . 1 1 20 20 ALA MB H . . . . . 1.8 1.8 3.3 . . . . . A . 20 ALA HA . . A . 20 ALA MB . . . 20 . HA . . . . . 20 . HB# . . rr_1dft 1
88 1 OR . 1 1 21 21 CYS HA H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HA . . A . 21 CYS HB2 . . . 21 . HA . . . . . 21 . HB# . . rr_1dft 1
88 2 OR . 1 1 21 21 CYS HA H . . . 1 1 21 21 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HA . . A . 21 CYS HB3 . . . 21 . HA . . . . . 21 . HB# . . rr_1dft 1
89 1 OR . 1 1 23 23 ASN HA H . . . 1 1 23 23 ASN HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN HA . . A . 23 ASN HB2 . . . 23 . HA . . . . . 23 . HB# . . rr_1dft 1
89 2 OR . 1 1 23 23 ASN HA H . . . 1 1 23 23 ASN HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 23 ASN HA . . A . 23 ASN HB3 . . . 23 . HA . . . . . 23 . HB# . . rr_1dft 1
90 1 OR . 1 1 24 24 CYS HA H . . . 1 1 24 24 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 24 CYS HA . . A . 24 CYS HB2 . . . 24 . HA . . . . . 24 . HB# . . rr_1dft 1
90 2 OR . 1 1 24 24 CYS HA H . . . 1 1 24 24 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 24 CYS HA . . A . 24 CYS HB3 . . . 24 . HA . . . . . 24 . HB# . . rr_1dft 1
91 1 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS HA . . A . 25 LYS HB2 . . . 25 . HA . . . . . 25 . HB# . . rr_1dft 1
91 2 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS HA . . A . 25 LYS HB3 . . . 25 . HA . . . . . 25 . HB# . . rr_1dft 1
92 1 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HG2 H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS HA . . A . 25 LYS HG2 . . . 25 . HA . . . . . 25 . HG# . . rr_1dft 1
92 2 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HG3 H . . . . . 1.8 1.8 4.4 . . . . . A . 25 LYS HA . . A . 25 LYS HG3 . . . 25 . HA . . . . . 25 . HG# . . rr_1dft 1
93 1 OR . 1 1 26 26 CYS HA H . . . 1 1 26 26 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 26 CYS HA . . A . 26 CYS HB2 . . . 26 . HA . . . . . 26 . HB# . . rr_1dft 1
93 2 OR . 1 1 26 26 CYS HA H . . . 1 1 26 26 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 26 CYS HA . . A . 26 CYS HB3 . . . 26 . HA . . . . . 26 . HB# . . rr_1dft 1
94 1 . . 1 1 27 27 THR HA H . . . 1 1 27 27 THR HB H . . . . . 1.8 1.8 2.8 . . . . . A . 27 THR HA . . A . 27 THR HB . . . 27 . HA . . . . . 27 . HB# . . rr_1dft 1
95 1 OR . 1 1 27 27 THR HA H . . . 1 1 27 27 THR MG H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR HA . . A . 27 THR MG . . . 27 . HA . . . . . 27 . HG# . . rr_1dft 1
95 2 OR . 1 1 27 27 THR HA H . . . 1 1 27 27 THR HG1 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR HA . . A . 27 THR HG1 . . . 27 . HA . . . . . 27 . HG# . . rr_1dft 1
96 1 OR . 1 1 29 29 CYS HA H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS HA . . A . 29 CYS HB2 . . . 29 . HA . . . . . 29 . HB# . . rr_1dft 1
96 2 OR . 1 1 29 29 CYS HA H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS HA . . A . 29 CYS HB3 . . . 29 . HA . . . . . 29 . HB# . . rr_1dft 1
97 1 OR . 1 1 29 29 CYS HA H . . . 1 1 23 23 ASN HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS HA . . A . 23 ASN HB2 . . . 29 . HA . . . . . 23 . HB# . . rr_1dft 1
97 2 OR . 1 1 23 23 ASN HB3 H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 4.4 . . . . . A . 29 CYS HA . . A . 23 ASN HB3 . . . 29 . HA . . . . . 23 . HB# . . rr_1dft 1
98 1 OR . 1 1 2 2 ASP HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HB2 . . A . 3 PRO HD2 . . . 2 . HB# . . . . . 3 . HD# . . rr_1dft 1
98 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HB3 . . A . 3 PRO HD2 . . . 2 . HB# . . . . . 3 . HD# . . rr_1dft 1
98 3 OR . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HB2 . . A . 3 PRO HD3 . . . 2 . HB# . . . . . 3 . HD# . . rr_1dft 1
98 4 OR . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 PRO HD3 H . . . . . 1.8 1.8 4.4 . . . . . A . 2 ASP HB3 . . A . 3 PRO HD3 . . . 2 . HB# . . . . . 3 . HD# . . rr_1dft 1
99 1 OR . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HG2 H . . . . . 1.8 1.8 2.8 . . . . . A . 3 PRO HG2 . . A . 3 PRO HD2 . . . 3 . HG# . . . . . 3 . HD# . . rr_1dft 1
99 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HG2 H . . . . . 1.8 1.8 2.8 . . . . . A . 3 PRO HG2 . . A . 3 PRO HD3 . . . 3 . HG# . . . . . 3 . HD# . . rr_1dft 1
99 3 OR . 1 1 3 3 PRO HG3 H . . . 1 1 3 3 PRO HD2 H . . . . . 1.8 1.8 2.8 . . . . . A . 3 PRO HG3 . . A . 3 PRO HD2 . . . 3 . HG# . . . . . 3 . HD# . . rr_1dft 1
99 4 OR . 1 1 3 3 PRO HG3 H . . . 1 1 3 3 PRO HD3 H . . . . . 1.8 1.8 2.8 . . . . . A . 3 PRO HG3 . . A . 3 PRO HD3 . . . 3 . HG# . . . . . 3 . HD# . . rr_1dft 1
100 1 OR . 1 1 5 5 CYS HB3 H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HB3 . . A . 21 CYS HB2 . . . 5 . HB# . . . . . 21 . HB# . . rr_1dft 1
100 2 OR . 1 1 5 5 CYS HB2 H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HB2 . . A . 21 CYS HB2 . . . 5 . HB# . . . . . 21 . HB# . . rr_1dft 1
100 3 OR . 1 1 21 21 CYS HB3 H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HB2 . . A . 21 CYS HB3 . . . 5 . HB# . . . . . 21 . HB# . . rr_1dft 1
100 4 OR . 1 1 21 21 CYS HB3 H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 5 CYS HB3 . . A . 21 CYS HB3 . . . 5 . HB# . . . . . 21 . HB# . . rr_1dft 1
101 1 OR . 1 1 27 27 THR HG1 H . . . 1 1 27 27 THR HB H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR HB . . A . 27 THR HG1 . . . 27 . HB# . . . . . 27 . HG# . . rr_1dft 1
101 2 OR . 1 1 27 27 THR HB H . . . 1 1 27 27 THR MG H . . . . . 1.8 1.8 3.3 . . . . . A . 27 THR HB . . A . 27 THR MG . . . 27 . HB# . . . . . 27 . HG# . . rr_1dft 1
102 1 OR . 1 1 21 21 CYS HB3 H . . . 1 1 23 23 ASN HB2 H . . . . . 1.8 1.8 4.9 . . . . . A . 21 CYS HB3 . . A . 23 ASN HB2 . . . 21 . HB# . . . . . 23 . HB# . . rr_1dft 1
102 2 OR . 1 1 21 21 CYS HB2 H . . . 1 1 23 23 ASN HB2 H . . . . . 1.8 1.8 4.9 . . . . . A . 21 CYS HB2 . . A . 23 ASN HB2 . . . 21 . HB# . . . . . 23 . HB# . . rr_1dft 1
102 3 OR . 1 1 23 23 ASN HB3 H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.9 . . . . . A . 21 CYS HB2 . . A . 23 ASN HB3 . . . 21 . HB# . . . . . 23 . HB# . . rr_1dft 1
102 4 OR . 1 1 21 21 CYS HB3 H . . . 1 1 23 23 ASN HB3 H . . . . . 1.8 1.8 4.9 . . . . . A . 21 CYS HB3 . . A . 23 ASN HB3 . . . 21 . HB# . . . . . 23 . HB# . . rr_1dft 1
103 1 OR . 1 1 21 21 CYS HB3 H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HB3 . . A . 22 LYS HB2 . . . 21 . HB# . . . . . 22 . HB# . . rr_1dft 1
103 2 OR . 1 1 21 21 CYS HB2 H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HB2 . . A . 22 LYS HB2 . . . 21 . HB# . . . . . 22 . HB# . . rr_1dft 1
103 3 OR . 1 1 22 22 LYS HB3 H . . . 1 1 21 21 CYS HB2 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HB2 . . A . 22 LYS HB3 . . . 21 . HB# . . . . . 22 . HB# . . rr_1dft 1
103 4 OR . 1 1 21 21 CYS HB3 H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 4.4 . . . . . A . 21 CYS HB3 . . A . 22 LYS HB3 . . . 21 . HB# . . . . . 22 . HB# . . rr_1dft 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 NH(i)-NH(j) 1 1 1 14 rr_1dft 1
2 NH(i)-any(j) 13 1 13 15 rr_1dft 1
3 aH(i)-any(j) 76 1 76 15 rr_1dft 1
4 sidechain(i)-sidechain(j) 101 1 101 28 rr_1dft 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1dft
_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 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1dft 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1dft 1
2 1 . . . rr_1dft 1
3 1 . . . rr_1dft 1
4 1 . . . rr_1dft 1
5 1 . . . rr_1dft 1
6 1 . . . rr_1dft 1
7 1 . . . rr_1dft 1
8 1 . . . rr_1dft 1
9 1 . . . rr_1dft 1
10 1 . . . rr_1dft 1
11 1 . . . rr_1dft 1
12 1 2 . OR rr_1dft 1
12 2 . 3 . rr_1dft 1
12 3 . . . rr_1dft 1
13 1 2 . OR rr_1dft 1
13 2 . 3 . rr_1dft 1
13 3 . . . rr_1dft 1
14 1 2 . OR rr_1dft 1
14 2 . 3 . rr_1dft 1
14 3 . . . rr_1dft 1
15 1 . . . rr_1dft 1
16 1 . . . rr_1dft 1
17 1 2 . OR rr_1dft 1
17 2 . 3 . rr_1dft 1
17 3 . . . rr_1dft 1
18 1 2 . OR rr_1dft 1
18 2 . 3 . rr_1dft 1
18 3 . . . rr_1dft 1
19 1 2 . OR rr_1dft 1
19 2 . 3 . rr_1dft 1
19 3 . . . rr_1dft 1
20 1 . . . rr_1dft 1
21 1 2 . OR rr_1dft 1
21 2 . 3 . rr_1dft 1
21 3 . . . rr_1dft 1
22 1 . . . rr_1dft 1
23 1 . . . rr_1dft 1
24 1 . . . rr_1dft 1
25 1 2 . OR rr_1dft 1
25 2 . 3 . rr_1dft 1
25 3 . . . rr_1dft 1
26 1 . . . rr_1dft 1
27 1 2 . OR rr_1dft 1
27 2 . 3 . rr_1dft 1
27 3 . . . rr_1dft 1
28 1 2 . OR rr_1dft 1
28 2 . 3 . rr_1dft 1
28 3 . . . rr_1dft 1
29 1 2 . OR rr_1dft 1
29 2 . 3 . rr_1dft 1
29 3 . . . rr_1dft 1
30 1 2 . OR rr_1dft 1
30 2 . 3 . rr_1dft 1
30 3 . . . rr_1dft 1
31 1 2 . OR rr_1dft 1
31 2 . 3 . rr_1dft 1
31 3 . . . rr_1dft 1
32 1 . . . rr_1dft 1
33 1 2 . OR rr_1dft 1
33 2 . 3 . rr_1dft 1
33 3 . . . rr_1dft 1
34 1 2 . OR rr_1dft 1
34 2 . 3 . rr_1dft 1
34 3 . . . rr_1dft 1
35 1 . . . rr_1dft 1
36 1 2 . OR rr_1dft 1
36 2 . 3 . rr_1dft 1
36 3 . . . rr_1dft 1
37 1 2 . OR rr_1dft 1
37 2 . 3 . rr_1dft 1
37 3 . . . rr_1dft 1
38 1 2 . OR rr_1dft 1
38 2 . 3 . rr_1dft 1
38 3 . . . rr_1dft 1
39 1 . . . rr_1dft 1
40 1 . . . rr_1dft 1
41 1 2 . OR rr_1dft 1
41 2 . 3 . rr_1dft 1
41 3 . . . rr_1dft 1
42 1 2 . OR rr_1dft 1
42 2 . 3 . rr_1dft 1
42 3 . . . rr_1dft 1
43 1 . . . rr_1dft 1
44 1 . . . rr_1dft 1
45 1 . . . rr_1dft 1
46 1 2 . OR rr_1dft 1
46 2 . 3 . rr_1dft 1
46 3 . . . rr_1dft 1
47 1 . . . rr_1dft 1
48 1 . . . rr_1dft 1
49 1 2 . OR rr_1dft 1
49 2 . 3 . rr_1dft 1
49 3 . . . rr_1dft 1
50 1 . . . rr_1dft 1
51 1 2 . OR rr_1dft 1
51 2 . 3 . rr_1dft 1
51 3 . . . rr_1dft 1
52 1 2 . OR rr_1dft 1
52 2 . 3 . rr_1dft 1
52 3 . . . rr_1dft 1
53 1 . . . rr_1dft 1
54 1 2 . OR rr_1dft 1
54 2 . 3 . rr_1dft 1
54 3 . . . rr_1dft 1
55 1 . . . rr_1dft 1
56 1 . . . rr_1dft 1
57 1 2 . OR rr_1dft 1
57 2 . 3 . rr_1dft 1
57 3 . . . rr_1dft 1
58 1 2 . OR rr_1dft 1
58 2 . 3 . rr_1dft 1
58 3 . . . rr_1dft 1
59 1 . . . rr_1dft 1
60 1 . . . rr_1dft 1
61 1 . . . rr_1dft 1
62 1 2 . OR rr_1dft 1
62 2 . 3 . rr_1dft 1
62 3 . . . rr_1dft 1
63 1 . . . rr_1dft 1
64 1 2 . OR rr_1dft 1
64 2 . 3 . rr_1dft 1
64 3 . . . rr_1dft 1
65 1 2 . OR rr_1dft 1
65 2 . 3 . rr_1dft 1
65 3 . . . rr_1dft 1
66 1 2 . OR rr_1dft 1
66 2 . 3 . rr_1dft 1
66 3 . . . rr_1dft 1
67 1 . . . rr_1dft 1
68 1 . . . rr_1dft 1
69 1 . . . rr_1dft 1
70 1 2 . OR rr_1dft 1
70 2 . 3 . rr_1dft 1
70 3 . . . rr_1dft 1
71 1 2 . OR rr_1dft 1
71 2 . 3 . rr_1dft 1
71 3 . . . rr_1dft 1
72 1 . . . rr_1dft 1
73 1 2 . OR rr_1dft 1
73 2 . 3 . rr_1dft 1
73 3 . . . rr_1dft 1
74 1 2 . OR rr_1dft 1
74 2 . 3 . rr_1dft 1
74 3 . . . rr_1dft 1
75 1 2 . OR rr_1dft 1
75 2 . 3 . rr_1dft 1
75 3 . . . rr_1dft 1
76 1 2 . OR rr_1dft 1
76 2 . 3 . rr_1dft 1
76 3 . . . rr_1dft 1
77 1 2 . OR rr_1dft 1
77 2 . 3 . rr_1dft 1
77 3 . . . rr_1dft 1
78 1 2 . OR rr_1dft 1
78 2 . 3 . rr_1dft 1
78 3 . . . rr_1dft 1
79 1 2 . OR rr_1dft 1
79 2 . 3 . rr_1dft 1
79 3 . . . rr_1dft 1
80 1 2 . OR rr_1dft 1
80 2 . 3 . rr_1dft 1
80 3 . . . rr_1dft 1
81 1 2 . OR rr_1dft 1
81 2 . 3 . rr_1dft 1
81 3 . . . rr_1dft 1
82 1 2 . OR rr_1dft 1
82 2 . 3 . rr_1dft 1
82 3 . . . rr_1dft 1
83 1 2 . OR rr_1dft 1
83 2 . 3 . rr_1dft 1
83 3 . . . rr_1dft 1
84 1 2 . OR rr_1dft 1
84 2 . 3 . rr_1dft 1
84 3 . . . rr_1dft 1
85 1 2 . OR rr_1dft 1
85 2 . 3 . rr_1dft 1
85 3 . . . rr_1dft 1
86 1 2 . OR rr_1dft 1
86 2 . 3 . rr_1dft 1
86 3 . . . rr_1dft 1
87 1 . . . rr_1dft 1
88 1 2 . OR rr_1dft 1
88 2 . 3 . rr_1dft 1
88 3 . . . rr_1dft 1
89 1 2 . OR rr_1dft 1
89 2 . 3 . rr_1dft 1
89 3 . . . rr_1dft 1
90 1 2 . OR rr_1dft 1
90 2 . 3 . rr_1dft 1
90 3 . . . rr_1dft 1
91 1 2 . OR rr_1dft 1
91 2 . 3 . rr_1dft 1
91 3 . . . rr_1dft 1
92 1 2 . OR rr_1dft 1
92 2 . 3 . rr_1dft 1
92 3 . . . rr_1dft 1
93 1 2 . OR rr_1dft 1
93 2 . 3 . rr_1dft 1
93 3 . . . rr_1dft 1
94 1 . . . rr_1dft 1
95 1 2 . OR rr_1dft 1
95 2 . 3 . rr_1dft 1
95 3 . . . rr_1dft 1
96 1 2 . OR rr_1dft 1
96 2 . 3 . rr_1dft 1
96 3 . . . rr_1dft 1
97 1 2 . OR rr_1dft 1
97 2 . 3 . rr_1dft 1
97 3 . . . rr_1dft 1
98 1 2 . OR rr_1dft 1
98 2 . 3 . rr_1dft 1
98 3 . 4 . rr_1dft 1
98 4 . 5 . rr_1dft 1
98 5 . . . rr_1dft 1
99 1 2 . OR rr_1dft 1
99 2 . 3 . rr_1dft 1
99 3 . 4 . rr_1dft 1
99 4 . 5 . rr_1dft 1
99 5 . . . rr_1dft 1
100 1 2 . OR rr_1dft 1
100 2 . 3 . rr_1dft 1
100 3 . 4 . rr_1dft 1
100 4 . 5 . rr_1dft 1
100 5 . . . rr_1dft 1
101 1 2 . OR rr_1dft 1
101 2 . 3 . rr_1dft 1
101 3 . . . rr_1dft 1
102 1 2 . OR rr_1dft 1
102 2 . 3 . rr_1dft 1
102 3 . 4 . rr_1dft 1
102 4 . 5 . rr_1dft 1
102 5 . . . rr_1dft 1
103 1 2 . OR rr_1dft 1
103 2 . 3 . rr_1dft 1
103 3 . 4 . rr_1dft 1
103 4 . 5 . rr_1dft 1
103 5 . . . rr_1dft 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 25 25 LYS H H . . . . 25 . HN rr_1dft 1
1 1 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
2 1 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
2 1 . 2 . 1 1 21 21 CYS H H . . . . 21 . HN rr_1dft 1
3 1 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
3 1 . 2 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
4 1 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
4 1 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1dft 1
5 1 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
5 1 . 2 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
6 1 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
6 1 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1dft 1
7 1 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
7 1 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1dft 1
8 1 . 1 . 1 1 16 16 THR H H . . . . 16 . HN rr_1dft 1
8 1 . 2 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
9 1 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
9 1 . 2 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
10 1 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
10 1 . 2 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
11 1 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
11 1 . 2 . 1 1 30 30 LYS H H . . . . 30 . HN rr_1dft 1
12 2 . 1 . 1 1 1 1 MET N N . . . . 1 . N rr_1dft 1
12 2 . 2 . 1 1 2 2 ASP HB2 H . . . . 2 . HB# rr_1dft 1
12 3 . 1 . 1 1 1 1 MET N N . . . . 1 . N rr_1dft 1
12 3 . 2 . 1 1 2 2 ASP HB3 H . . . . 2 . HB# rr_1dft 1
13 2 . 1 . 1 1 1 1 MET N N . . . . 1 . N rr_1dft 1
13 2 . 2 . 1 1 3 3 PRO HG2 H . . . . 3 . HG# rr_1dft 1
13 3 . 1 . 1 1 1 1 MET N N . . . . 1 . N rr_1dft 1
13 3 . 2 . 1 1 3 3 PRO HG3 H . . . . 3 . HG# rr_1dft 1
14 2 . 1 . 1 1 2 2 ASP H H . . . . 2 . HN rr_1dft 1
14 2 . 2 . 1 1 2 2 ASP HB2 H . . . . 2 . HB# rr_1dft 1
14 3 . 1 . 1 1 2 2 ASP H H . . . . 2 . HN rr_1dft 1
14 3 . 2 . 1 1 2 2 ASP HB3 H . . . . 2 . HB# rr_1dft 1
15 1 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
15 1 . 2 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
16 1 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
16 1 . 2 . 1 1 3 3 PRO HA H . . . . 3 . HA rr_1dft 1
17 2 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
17 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
17 3 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
17 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
18 2 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
18 2 . 2 . 1 1 4 4 ASN HD22 H . . . . 4 . HD2# rr_1dft 1
18 3 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
18 3 . 2 . 1 1 4 4 ASN HD21 H . . . . 4 . HD2# rr_1dft 1
19 2 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
19 2 . 2 . 1 1 4 4 ASN HB2 H . . . . 4 . HB# rr_1dft 1
19 3 . 1 . 1 1 4 4 ASN H H . . . . 4 . HN rr_1dft 1
19 3 . 2 . 1 1 4 4 ASN HB3 H . . . . 4 . HB# rr_1dft 1
20 1 . 1 . 1 1 6 6 SER H H . . . . 6 . HN rr_1dft 1
20 1 . 2 . 1 1 6 6 SER HA H . . . . 6 . HA rr_1dft 1
21 2 . 1 . 1 1 8 8 SER H H . . . . 8 . HN rr_1dft 1
21 2 . 2 . 1 1 8 8 SER HB2 H . . . . 8 . HB# rr_1dft 1
21 3 . 1 . 1 1 8 8 SER H H . . . . 8 . HN rr_1dft 1
21 3 . 2 . 1 1 8 8 SER HB3 H . . . . 8 . HB# rr_1dft 1
22 1 . 1 . 1 1 8 8 SER H H . . . . 8 . HN rr_1dft 1
22 1 . 2 . 1 1 8 8 SER HA H . . . . 8 . HA rr_1dft 1
23 1 . 1 . 1 1 8 8 SER H H . . . . 8 . HN rr_1dft 1
23 1 . 2 . 1 1 6 6 SER HA H . . . . 6 . HA rr_1dft 1
24 1 . 1 . 1 1 9 9 THR H H . . . . 9 . HN rr_1dft 1
24 1 . 2 . 1 1 8 8 SER HA H . . . . 8 . HA rr_1dft 1
25 2 . 1 . 1 1 9 9 THR H H . . . . 9 . HN rr_1dft 1
25 2 . 2 . 1 1 9 9 THR MG H . . . . 9 . HG# rr_1dft 1
25 3 . 1 . 1 1 9 9 THR H H . . . . 9 . HN rr_1dft 1
25 3 . 2 . 1 1 9 9 THR HG1 H . . . . 9 . HG# rr_1dft 1
26 1 . 1 . 1 1 9 9 THR H H . . . . 9 . HN rr_1dft 1
26 1 . 2 . 1 1 9 9 THR HA H . . . . 9 . HA rr_1dft 1
27 2 . 1 . 1 1 12 12 SER H H . . . . 12 . HN rr_1dft 1
27 2 . 2 . 1 1 11 11 GLY HA2 H . . . . 11 . HA# rr_1dft 1
27 3 . 1 . 1 1 12 12 SER H H . . . . 12 . HN rr_1dft 1
27 3 . 2 . 1 1 11 11 GLY HA3 H . . . . 11 . HA# rr_1dft 1
28 2 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1dft 1
28 2 . 2 . 1 1 16 16 THR MG H . . . . 16 . HG# rr_1dft 1
28 3 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1dft 1
28 3 . 2 . 1 1 16 16 THR HG1 H . . . . 16 . HG# rr_1dft 1
29 2 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1dft 1
29 2 . 2 . 1 1 15 15 CYS HB2 H . . . . 15 . HB# rr_1dft 1
29 3 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1dft 1
29 3 . 2 . 1 1 15 15 CYS HB3 H . . . . 15 . HB# rr_1dft 1
30 2 . 1 . 1 1 16 16 THR H H . . . . 16 . HN rr_1dft 1
30 2 . 2 . 1 1 16 16 THR MG H . . . . 16 . HG# rr_1dft 1
30 3 . 1 . 1 1 16 16 THR H H . . . . 16 . HN rr_1dft 1
30 3 . 2 . 1 1 16 16 THR HG1 H . . . . 16 . HG# rr_1dft 1
31 2 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
31 2 . 2 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1dft 1
31 3 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
31 3 . 2 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1dft 1
32 1 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
32 1 . 2 . 1 1 16 16 THR HA H . . . . 16 . HA rr_1dft 1
33 2 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
33 2 . 2 . 1 1 16 16 THR MG H . . . . 16 . HG# rr_1dft 1
33 3 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
33 3 . 2 . 1 1 16 16 THR HG1 H . . . . 16 . HG# rr_1dft 1
34 2 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
34 2 . 2 . 1 1 18 18 SER HB2 H . . . . 18 . HB# rr_1dft 1
34 3 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1dft 1
34 3 . 2 . 1 1 18 18 SER HB3 H . . . . 18 . HB# rr_1dft 1
35 1 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
35 1 . 2 . 1 1 18 18 SER HA H . . . . 18 . HA rr_1dft 1
36 2 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
36 2 . 2 . 1 1 18 18 SER HB2 H . . . . 18 . HB# rr_1dft 1
36 3 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
36 3 . 2 . 1 1 18 18 SER HB3 H . . . . 18 . HB# rr_1dft 1
37 2 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
37 2 . 2 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1dft 1
37 3 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
37 3 . 2 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1dft 1
38 2 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
38 2 . 2 . 1 1 16 16 THR MG H . . . . 16 . HG# rr_1dft 1
38 3 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
38 3 . 2 . 1 1 16 16 THR HG1 H . . . . 16 . HG# rr_1dft 1
39 1 . 1 . 1 1 18 18 SER H H . . . . 18 . HN rr_1dft 1
39 1 . 2 . 1 1 16 16 THR HA H . . . . 16 . HA rr_1dft 1
40 1 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
40 1 . 2 . 1 1 19 19 CYS HA H . . . . 19 . HA rr_1dft 1
41 2 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
41 2 . 2 . 1 1 19 19 CYS HB2 H . . . . 19 . HB# rr_1dft 1
41 3 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
41 3 . 2 . 1 1 19 19 CYS HB3 H . . . . 19 . HB# rr_1dft 1
42 2 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
42 2 . 2 . 1 1 18 18 SER HB2 H . . . . 18 . HB# rr_1dft 1
42 3 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
42 3 . 2 . 1 1 18 18 SER HB3 H . . . . 18 . HB# rr_1dft 1
43 1 . 1 . 1 1 19 19 CYS H H . . . . 19 . HN rr_1dft 1
43 1 . 2 . 1 1 18 18 SER HA H . . . . 18 . HA rr_1dft 1
44 1 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
44 1 . 2 . 1 1 20 20 ALA HA H . . . . 20 . HA rr_1dft 1
45 1 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
45 1 . 2 . 1 1 19 19 CYS HA H . . . . 19 . HA rr_1dft 1
46 2 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
46 2 . 2 . 1 1 19 19 CYS HB2 H . . . . 19 . HB# rr_1dft 1
46 3 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
46 3 . 2 . 1 1 19 19 CYS HB3 H . . . . 19 . HB# rr_1dft 1
47 1 . 1 . 1 1 20 20 ALA H H . . . . 20 . HN rr_1dft 1
47 1 . 2 . 1 1 20 20 ALA MB H . . . . 20 . HB# rr_1dft 1
48 1 . 1 . 1 1 21 21 CYS H H . . . . 21 . HN rr_1dft 1
48 1 . 2 . 1 1 21 21 CYS HA H . . . . 21 . HA rr_1dft 1
49 2 . 1 . 1 1 21 21 CYS H H . . . . 21 . HN rr_1dft 1
49 2 . 2 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
49 3 . 1 . 1 1 21 21 CYS H H . . . . 21 . HN rr_1dft 1
49 3 . 2 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
50 1 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
50 1 . 2 . 1 1 22 22 LYS HA H . . . . 22 . HA rr_1dft 1
51 2 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
51 2 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1dft 1
51 3 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
51 3 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1dft 1
52 2 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
52 2 . 2 . 1 1 22 22 LYS HG2 H . . . . 22 . HG# rr_1dft 1
52 3 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1dft 1
52 3 . 2 . 1 1 22 22 LYS HG3 H . . . . 22 . HG# rr_1dft 1
53 1 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
53 1 . 2 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
54 2 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
54 2 . 2 . 1 1 4 4 ASN HB2 H . . . . 4 . HB# rr_1dft 1
54 3 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
54 3 . 2 . 1 1 4 4 ASN HB3 H . . . . 4 . HB# rr_1dft 1
55 1 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
55 1 . 2 . 1 1 23 23 ASN HA H . . . . 23 . HA rr_1dft 1
56 1 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
56 1 . 2 . 1 1 22 22 LYS HA H . . . . 22 . HA rr_1dft 1
57 2 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
57 2 . 2 . 1 1 23 23 ASN HB2 H . . . . 23 . HB# rr_1dft 1
57 3 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
57 3 . 2 . 1 1 23 23 ASN HB3 H . . . . 23 . HB# rr_1dft 1
58 2 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
58 2 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1dft 1
58 3 . 1 . 1 1 23 23 ASN H H . . . . 23 . HN rr_1dft 1
58 3 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1dft 1
59 1 . 1 . 1 1 25 25 LYS H H . . . . 25 . HN rr_1dft 1
59 1 . 2 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
60 1 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
60 1 . 2 . 1 1 26 26 CYS HA H . . . . 26 . HA rr_1dft 1
61 1 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
61 1 . 2 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
62 2 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
62 2 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB# rr_1dft 1
62 3 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1dft 1
62 3 . 2 . 1 1 26 26 CYS HB3 H . . . . 26 . HB# rr_1dft 1
63 1 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
63 1 . 2 . 1 1 27 27 THR HA H . . . . 27 . HA rr_1dft 1
64 2 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
64 2 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB# rr_1dft 1
64 3 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
64 3 . 2 . 1 1 26 26 CYS HB3 H . . . . 26 . HB# rr_1dft 1
65 2 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
65 2 . 2 . 1 1 27 27 THR MG H . . . . 27 . HG# rr_1dft 1
65 3 . 1 . 1 1 27 27 THR H H . . . . 27 . HN rr_1dft 1
65 3 . 2 . 1 1 27 27 THR HG1 H . . . . 27 . HG# rr_1dft 1
66 2 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1dft 1
66 2 . 2 . 1 1 28 28 SER HB2 H . . . . 28 . HB# rr_1dft 1
66 3 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1dft 1
66 3 . 2 . 1 1 28 28 SER HB3 H . . . . 28 . HB# rr_1dft 1
67 1 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
67 1 . 2 . 1 1 29 29 CYS HA H . . . . 29 . HA rr_1dft 1
68 1 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
68 1 . 2 . 1 1 27 27 THR HA H . . . . 27 . HA rr_1dft 1
69 1 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
69 1 . 2 . 1 1 27 27 THR HB H . . . . 27 . HB rr_1dft 1
70 2 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
70 2 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB# rr_1dft 1
70 3 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
70 3 . 2 . 1 1 26 26 CYS HB3 H . . . . 26 . HB# rr_1dft 1
71 2 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
71 2 . 2 . 1 1 29 29 CYS HB2 H . . . . 29 . HB# rr_1dft 1
71 3 . 1 . 1 1 29 29 CYS H H . . . . 29 . HN rr_1dft 1
71 3 . 2 . 1 1 29 29 CYS HB3 H . . . . 29 . HB# rr_1dft 1
72 1 . 1 . 1 1 30 30 LYS H H . . . . 30 . HN rr_1dft 1
72 1 . 2 . 1 1 30 30 LYS HA H . . . . 30 . HA rr_1dft 1
73 2 . 1 . 1 1 30 30 LYS H H . . . . 30 . HN rr_1dft 1
73 2 . 2 . 1 1 29 29 CYS HB2 H . . . . 29 . HB# rr_1dft 1
73 3 . 1 . 1 1 30 30 LYS H H . . . . 30 . HN rr_1dft 1
73 3 . 2 . 1 1 29 29 CYS HB3 H . . . . 29 . HB# rr_1dft 1
74 2 . 1 . 1 1 1 1 MET HA H . . . . 1 . HA rr_1dft 1
74 2 . 2 . 1 1 1 1 MET HB2 H . . . . 1 . HB# rr_1dft 1
74 3 . 1 . 1 1 1 1 MET HA H . . . . 1 . HA rr_1dft 1
74 3 . 2 . 1 1 1 1 MET HB3 H . . . . 1 . HB# rr_1dft 1
75 2 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
75 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
75 3 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
75 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
76 2 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
76 2 . 2 . 1 1 3 3 PRO HG2 H . . . . 3 . HG# rr_1dft 1
76 3 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
76 3 . 2 . 1 1 3 3 PRO HG3 H . . . . 3 . HG# rr_1dft 1
77 2 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
77 2 . 2 . 1 1 2 2 ASP HB2 H . . . . 2 . HB# rr_1dft 1
77 3 . 1 . 1 1 2 2 ASP HA H . . . . 2 . HA rr_1dft 1
77 3 . 2 . 1 1 2 2 ASP HB3 H . . . . 2 . HB# rr_1dft 1
78 2 . 1 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
78 2 . 2 . 1 1 4 4 ASN HB2 H . . . . 4 . HB# rr_1dft 1
78 3 . 1 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
78 3 . 2 . 1 1 4 4 ASN HB3 H . . . . 4 . HB# rr_1dft 1
79 2 . 1 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
79 2 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1dft 1
79 3 . 1 . 1 1 4 4 ASN HA H . . . . 4 . HA rr_1dft 1
79 3 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1dft 1
80 2 . 1 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1dft 1
80 2 . 2 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
80 3 . 1 . 1 1 5 5 CYS HA H . . . . 5 . HA rr_1dft 1
80 3 . 2 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
81 2 . 1 . 1 1 6 6 SER HA H . . . . 6 . HA rr_1dft 1
81 2 . 2 . 1 1 6 6 SER HB2 H . . . . 6 . HB# rr_1dft 1
81 3 . 1 . 1 1 6 6 SER HA H . . . . 6 . HA rr_1dft 1
81 3 . 2 . 1 1 6 6 SER HB3 H . . . . 6 . HB# rr_1dft 1
82 2 . 1 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_1dft 1
82 2 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 . HB# rr_1dft 1
82 3 . 1 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_1dft 1
82 3 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 . HB# rr_1dft 1
83 2 . 1 . 1 1 8 8 SER HA H . . . . 8 . HA rr_1dft 1
83 2 . 2 . 1 1 8 8 SER HB2 H . . . . 8 . HB# rr_1dft 1
83 3 . 1 . 1 1 8 8 SER HA H . . . . 8 . HA rr_1dft 1
83 3 . 2 . 1 1 8 8 SER HB3 H . . . . 8 . HB# rr_1dft 1
84 2 . 1 . 1 1 12 12 SER HA H . . . . 12 . HA rr_1dft 1
84 2 . 2 . 1 1 12 12 SER HB2 H . . . . 12 . HB# rr_1dft 1
84 3 . 1 . 1 1 12 12 SER HA H . . . . 12 . HA rr_1dft 1
84 3 . 2 . 1 1 12 12 SER HB3 H . . . . 12 . HB# rr_1dft 1
85 2 . 1 . 1 1 14 14 THR HA H . . . . 14 . HA rr_1dft 1
85 2 . 2 . 1 1 15 15 CYS HB2 H . . . . 15 . HB# rr_1dft 1
85 3 . 1 . 1 1 14 14 THR HA H . . . . 14 . HA rr_1dft 1
85 3 . 2 . 1 1 15 15 CYS HB3 H . . . . 15 . HB# rr_1dft 1
86 2 . 1 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1dft 1
86 2 . 2 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1dft 1
86 3 . 1 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1dft 1
86 3 . 2 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1dft 1
87 1 . 1 . 1 1 20 20 ALA HA H . . . . 20 . HA rr_1dft 1
87 1 . 2 . 1 1 20 20 ALA MB H . . . . 20 . HB# rr_1dft 1
88 2 . 1 . 1 1 21 21 CYS HA H . . . . 21 . HA rr_1dft 1
88 2 . 2 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
88 3 . 1 . 1 1 21 21 CYS HA H . . . . 21 . HA rr_1dft 1
88 3 . 2 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
89 2 . 1 . 1 1 23 23 ASN HA H . . . . 23 . HA rr_1dft 1
89 2 . 2 . 1 1 23 23 ASN HB2 H . . . . 23 . HB# rr_1dft 1
89 3 . 1 . 1 1 23 23 ASN HA H . . . . 23 . HA rr_1dft 1
89 3 . 2 . 1 1 23 23 ASN HB3 H . . . . 23 . HB# rr_1dft 1
90 2 . 1 . 1 1 24 24 CYS HA H . . . . 24 . HA rr_1dft 1
90 2 . 2 . 1 1 24 24 CYS HB2 H . . . . 24 . HB# rr_1dft 1
90 3 . 1 . 1 1 24 24 CYS HA H . . . . 24 . HA rr_1dft 1
90 3 . 2 . 1 1 24 24 CYS HB3 H . . . . 24 . HB# rr_1dft 1
91 2 . 1 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
91 2 . 2 . 1 1 25 25 LYS HB2 H . . . . 25 . HB# rr_1dft 1
91 3 . 1 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
91 3 . 2 . 1 1 25 25 LYS HB3 H . . . . 25 . HB# rr_1dft 1
92 2 . 1 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
92 2 . 2 . 1 1 25 25 LYS HG2 H . . . . 25 . HG# rr_1dft 1
92 3 . 1 . 1 1 25 25 LYS HA H . . . . 25 . HA rr_1dft 1
92 3 . 2 . 1 1 25 25 LYS HG3 H . . . . 25 . HG# rr_1dft 1
93 2 . 1 . 1 1 26 26 CYS HA H . . . . 26 . HA rr_1dft 1
93 2 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB# rr_1dft 1
93 3 . 1 . 1 1 26 26 CYS HA H . . . . 26 . HA rr_1dft 1
93 3 . 2 . 1 1 26 26 CYS HB3 H . . . . 26 . HB# rr_1dft 1
94 1 . 1 . 1 1 27 27 THR HA H . . . . 27 . HA rr_1dft 1
94 1 . 2 . 1 1 27 27 THR HB H . . . . 27 . HB# rr_1dft 1
95 2 . 1 . 1 1 27 27 THR HA H . . . . 27 . HA rr_1dft 1
95 2 . 2 . 1 1 27 27 THR MG H . . . . 27 . HG# rr_1dft 1
95 3 . 1 . 1 1 27 27 THR HA H . . . . 27 . HA rr_1dft 1
95 3 . 2 . 1 1 27 27 THR HG1 H . . . . 27 . HG# rr_1dft 1
96 2 . 1 . 1 1 29 29 CYS HA H . . . . 29 . HA rr_1dft 1
96 2 . 2 . 1 1 29 29 CYS HB2 H . . . . 29 . HB# rr_1dft 1
96 3 . 1 . 1 1 29 29 CYS HA H . . . . 29 . HA rr_1dft 1
96 3 . 2 . 1 1 29 29 CYS HB3 H . . . . 29 . HB# rr_1dft 1
97 2 . 1 . 1 1 29 29 CYS HA H . . . . 29 . HA rr_1dft 1
97 2 . 2 . 1 1 23 23 ASN HB2 H . . . . 23 . HB# rr_1dft 1
97 3 . 1 . 1 1 29 29 CYS HA H . . . . 29 . HA rr_1dft 1
97 3 . 2 . 1 1 23 23 ASN HB3 H . . . . 23 . HB# rr_1dft 1
98 2 . 1 . 1 1 2 2 ASP HB2 H . . . . 2 . HB# rr_1dft 1
98 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
98 3 . 1 . 1 1 2 2 ASP HB3 H . . . . 2 . HB# rr_1dft 1
98 3 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
98 4 . 1 . 1 1 2 2 ASP HB2 H . . . . 2 . HB# rr_1dft 1
98 4 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
98 5 . 1 . 1 1 2 2 ASP HB3 H . . . . 2 . HB# rr_1dft 1
98 5 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
99 2 . 1 . 1 1 3 3 PRO HG2 H . . . . 3 . HG# rr_1dft 1
99 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
99 3 . 1 . 1 1 3 3 PRO HG2 H . . . . 3 . HG# rr_1dft 1
99 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
99 4 . 1 . 1 1 3 3 PRO HG3 H . . . . 3 . HG# rr_1dft 1
99 4 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dft 1
99 5 . 1 . 1 1 3 3 PRO HG3 H . . . . 3 . HG# rr_1dft 1
99 5 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dft 1
100 2 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB# rr_1dft 1
100 2 . 2 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
100 3 . 1 . 1 1 5 5 CYS HB2 H . . . . 5 . HB# rr_1dft 1
100 3 . 2 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
100 4 . 1 . 1 1 5 5 CYS HB2 H . . . . 5 . HB# rr_1dft 1
100 4 . 2 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
100 5 . 1 . 1 1 5 5 CYS HB3 H . . . . 5 . HB# rr_1dft 1
100 5 . 2 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
101 2 . 1 . 1 1 27 27 THR HB H . . . . 27 . HB# rr_1dft 1
101 2 . 2 . 1 1 27 27 THR HG1 H . . . . 27 . HG# rr_1dft 1
101 3 . 1 . 1 1 27 27 THR HB H . . . . 27 . HB# rr_1dft 1
101 3 . 2 . 1 1 27 27 THR MG H . . . . 27 . HG# rr_1dft 1
102 2 . 1 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
102 2 . 2 . 1 1 23 23 ASN HB2 H . . . . 23 . HB# rr_1dft 1
102 3 . 1 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
102 3 . 2 . 1 1 23 23 ASN HB2 H . . . . 23 . HB# rr_1dft 1
102 4 . 1 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
102 4 . 2 . 1 1 23 23 ASN HB3 H . . . . 23 . HB# rr_1dft 1
102 5 . 1 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
102 5 . 2 . 1 1 23 23 ASN HB3 H . . . . 23 . HB# rr_1dft 1
103 2 . 1 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
103 2 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1dft 1
103 3 . 1 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
103 3 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1dft 1
103 4 . 1 . 1 1 21 21 CYS HB2 H . . . . 21 . HB# rr_1dft 1
103 4 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1dft 1
103 5 . 1 . 1 1 21 21 CYS HB3 H . . . . 21 . HB# rr_1dft 1
103 5 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1dft 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
2 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
3 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
4 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
5 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
6 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
7 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
8 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
9 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
10 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
11 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
12 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
12 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
13 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
13 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
14 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
14 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
15 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
16 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
17 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
17 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
18 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
18 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
19 2 . . . . . . 1.8 1.8 2.4 rr_1dft 1
19 3 . . . . . . 1.8 1.8 2.4 rr_1dft 1
20 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
21 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
21 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
22 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
23 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
24 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
25 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
25 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
26 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
27 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
27 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
28 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
28 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
29 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
29 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
30 2 . . . . . . 1.8 1.8 3.3 rr_1dft 1
30 3 . . . . . . 1.8 1.8 3.3 rr_1dft 1
31 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
31 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
32 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
33 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
33 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
34 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
34 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
35 1 . . . . . . 1.8 1.8 2.4 rr_1dft 1
36 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
36 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
37 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
37 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
38 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
38 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
39 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
40 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
41 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
41 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
42 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
42 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
43 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
44 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
45 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
46 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
46 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
47 1 . . . . . . 1.8 1.8 3.3 rr_1dft 1
48 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
49 2 . . . . . . 1.8 1.8 2.4 rr_1dft 1
49 3 . . . . . . 1.8 1.8 2.4 rr_1dft 1
50 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
51 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
51 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
52 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
52 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
53 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
54 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
54 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
55 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
56 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
57 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
57 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
58 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
58 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
59 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
60 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
61 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
62 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
62 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
63 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
64 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
64 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
65 2 . . . . . . 1.8 1.8 3.3 rr_1dft 1
65 3 . . . . . . 1.8 1.8 3.3 rr_1dft 1
66 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
66 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
67 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
68 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
69 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
70 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
70 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
71 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
71 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
72 1 . . . . . . 1.8 1.8 4.4 rr_1dft 1
73 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
73 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
74 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
74 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
75 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
75 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
76 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
76 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
77 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
77 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
78 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
78 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
79 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
79 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
80 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
80 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
81 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
81 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
82 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
82 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
83 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
83 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
84 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
84 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
85 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
85 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
86 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
86 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
87 1 . . . . . . 1.8 1.8 3.3 rr_1dft 1
88 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
88 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
89 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
89 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
90 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
90 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
91 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
91 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
92 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
92 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
93 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
93 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
94 1 . . . . . . 1.8 1.8 2.8 rr_1dft 1
95 2 . . . . . . 1.8 1.8 3.3 rr_1dft 1
95 3 . . . . . . 1.8 1.8 3.3 rr_1dft 1
96 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
96 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
97 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
97 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
98 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
98 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
98 4 . . . . . . 1.8 1.8 4.4 rr_1dft 1
98 5 . . . . . . 1.8 1.8 4.4 rr_1dft 1
99 2 . . . . . . 1.8 1.8 2.8 rr_1dft 1
99 3 . . . . . . 1.8 1.8 2.8 rr_1dft 1
99 4 . . . . . . 1.8 1.8 2.8 rr_1dft 1
99 5 . . . . . . 1.8 1.8 2.8 rr_1dft 1
100 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
100 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
100 4 . . . . . . 1.8 1.8 4.4 rr_1dft 1
100 5 . . . . . . 1.8 1.8 4.4 rr_1dft 1
101 2 . . . . . . 1.8 1.8 3.3 rr_1dft 1
101 3 . . . . . . 1.8 1.8 3.3 rr_1dft 1
102 2 . . . . . . 1.8 1.8 4.9 rr_1dft 1
102 3 . . . . . . 1.8 1.8 4.9 rr_1dft 1
102 4 . . . . . . 1.8 1.8 4.9 rr_1dft 1
102 5 . . . . . . 1.8 1.8 4.9 rr_1dft 1
103 2 . . . . . . 1.8 1.8 4.4 rr_1dft 1
103 3 . . . . . . 1.8 1.8 4.4 rr_1dft 1
103 4 . . . . . . 1.8 1.8 4.4 rr_1dft 1
103 5 . . . . . . 1.8 1.8 4.4 rr_1dft 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 NH(i)-NH(j) 1 1 1 14 rr_1dft 1
2 NH(i)-any(j) 13 1 13 15 rr_1dft 1
3 aH(i)-any(j) 76 1 76 15 rr_1dft 1
4 sidechain(i)-sidechain(j) 101 1 101 28 rr_1dft 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_1dft
_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 20-NOV-99 1DFT *TITLE SOLUTION STRUCTURE OF THE BETA-DOMAIN OF MOUSE *TITLE 2 METALLOTHIONEIN-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MOUSE [CD7]-METALLOTHIONEIN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (BETA); *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; *SOURCE 3 ORGANISM_COMMON: MOUSE; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D *KEYWDS HALF TURN, CD-S CLUSTER *EXPDTA NMR *AUTHOR K.ZANGGER, G.OZ, J.D.OTVOS, I.M.ARMITAGE *REVDAT 1 01-DEC-99 1DFT 0"
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_framecode MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1dft
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "set message=on echo=on end"
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_framecode MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1dft
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;! zkmmtbetanoe.tbl
! for N-terminal domain (beta-domain) of mouse MT1
! K.Zangger 9/15/1998
! strong: 1.8 0.0 0.6, medium: 1.8 0.0 1.0, weak: 1.8 0.0 2.6
set message=off echo=off end
;
save_
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