NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641941 |
6qys   |
34370 | cing | 3-converted-DOCR | STAR | entry | full | 14 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qys
# This DOCR archive file contains, for PDB entry <6qys>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_6qys
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qys"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 6qys"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6qys "Master copy" rr_6qys
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qys
_Assembly.ID 1
_Assembly.Name 6qys
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 487.5931
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 "DBB PRO GLY CYS LYS" 1 $DBB_PRO_GLY_CYS_LYS A . no . . . . . . rr_6qys 1
stop_
save_
save_DBB_PRO_GLY_CYS_LYS
_Entity.Sf_category entity
_Entity.Sf_framecode DBB_PRO_GLY_CYS_LYS
_Entity.Entry_ID rr_6qys
_Entity.ID 1
_Entity.Name DBB_PRO_GLY_CYS_LYS
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XPGCK
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 5
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 487.5931
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 . . . rr_6qys 1
2 . PRO . rr_6qys 1
3 . GLY . rr_6qys 1
4 . CYS . rr_6qys 1
5 . LYS . rr_6qys 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
. . 1 1 rr_6qys 1
. PRO 2 2 rr_6qys 1
. GLY 3 3 rr_6qys 1
. CYS 4 4 rr_6qys 1
. LYS 5 5 rr_6qys 1
stop_
save_
save_chem_comp_DBB
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DBB
_Chem_comp.Entry_ID rr_6qys
_Chem_comp.ID 1
_Chem_comp.Name Dbb
_Chem_comp.Type "L-peptide NH3 amino terminus"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H8 N O"
_Chem_comp.Formula_weight 86.1133
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6qys
_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 15
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_6qys
_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_6qys 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_6qys 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 . C C 7.374 4.264 1.752 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 1 . 2 . 1 1 1 . CA C 6.936 3.883 3.163 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 1 . 3 . 1 1 1 . CB C 6.593 2.395 3.203 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 1 . 4 . 1 1 1 . CG C 5.355 2.150 2.330 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 1 . 5 . 1 1 1 . H H 7.966 5.175 4.410 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 1 . 6 . 1 1 1 . H1 H 8.934 3.971 3.699 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 1 . 7 . 1 1 1 . HA H 6.084 4.445 3.415 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 1 . 8 . 1 1 1 . HB2 H 7.433 1.842 2.797 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 1 . 9 . 1 1 1 . HG1 H 5.126 3.046 1.767 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 1 . 10 . 1 1 1 . HG2 H 4.516 1.894 2.958 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 1 . 11 . 1 1 1 . HG3 H 5.553 1.340 1.646 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 1 . 12 . 1 1 1 . HT3 H 7.884 3.580 4.977 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 1 . 13 . 1 1 1 . N N 8.013 4.174 4.135 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 1 . 14 . 1 1 1 . O O 7.857 3.412 1.007 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 1 . 15 . 1 1 2 PRO C C 5.164 6.347 2.594 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 1 . 16 . 1 1 2 PRO CA C 6.618 6.607 2.195 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 1 . 17 . 1 1 2 PRO CB C 6.723 7.858 1.308 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 1 . 18 . 1 1 2 PRO CD C 7.544 5.985 0.012 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 1 . 19 . 1 1 2 PRO CG C 7.641 7.497 0.186 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 1 . 20 . 1 1 2 PRO HA H 7.220 6.749 3.078 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 1 . 21 . 1 1 2 PRO HB2 H 5.748 8.124 0.923 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 1 . 22 . 1 1 2 PRO HB3 H 7.138 8.681 1.870 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 1 . 23 . 1 1 2 PRO HD2 H 6.763 5.732 -0.693 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 1 . 24 . 1 1 2 PRO HD3 H 8.490 5.571 -0.299 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 1 . 25 . 1 1 2 PRO HG2 H 7.332 7.998 -0.721 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 1 . 26 . 1 1 2 PRO HG3 H 8.655 7.768 0.433 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 1 . 27 . 1 1 2 PRO N N 7.200 5.506 1.350 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 1 . 28 . 1 1 2 PRO O O 4.711 6.790 3.649 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 1 . 29 . 1 1 3 GLY C C 2.952 4.710 3.457 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 1 . 30 . 1 1 3 GLY CA C 3.075 5.249 2.042 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 1 . 31 . 1 1 3 GLY H H 4.874 5.261 0.952 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 1 . 32 . 1 1 3 GLY HA2 H 2.443 6.117 1.922 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 1 . 33 . 1 1 3 GLY HA3 H 2.775 4.483 1.355 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 1 . 34 . 1 1 3 GLY N N 4.456 5.600 1.761 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 1 . 35 . 1 1 3 GLY O O 2.012 5.032 4.186 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 1 . 36 . 1 1 4 CYS C C 3.082 4.025 6.138 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 1 . 37 . 1 1 4 CYS CA C 3.951 3.258 5.137 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 1 . 38 . 1 1 4 CYS CB C 5.398 3.213 5.643 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 1 . 39 . 1 1 4 CYS H H 4.614 3.653 3.178 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 1 . 40 . 1 1 4 CYS HA H 3.584 2.252 5.054 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 1 . 41 . 1 1 4 CYS HB2 H 5.901 4.132 5.401 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 1 . 42 . 1 1 4 CYS HB3 H 5.387 3.096 6.716 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 1 . 43 . 1 1 4 CYS N N 3.915 3.875 3.821 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 1 . 44 . 1 1 4 CYS O O 1.856 3.927 6.105 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 1 . 45 . 1 1 4 CYS SG S 6.282 1.801 4.903 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 1 . 46 . 1 1 5 LYS C C 2.357 6.781 7.414 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 1 . 47 . 1 1 5 LYS CA C 2.999 5.544 8.035 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 1 . 48 . 1 1 5 LYS CB C 3.968 5.963 9.142 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 1 . 49 . 1 1 5 LYS CD C 6.368 5.984 9.847 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 1 . 50 . 1 1 5 LYS CE C 7.661 5.169 9.742 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 1 . 51 . 1 1 5 LYS CG C 5.391 5.548 8.754 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 1 . 52 . 1 1 5 LYS H H 4.695 4.817 7.019 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 1 . 53 . 1 1 5 LYS HA H 2.226 4.923 8.464 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 1 . 54 . 1 1 5 LYS HB2 H 3.926 7.034 9.272 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 1 . 55 . 1 1 5 LYS HB3 H 3.694 5.475 10.065 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 1 . 56 . 1 1 5 LYS HD2 H 6.594 7.034 9.728 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 1 . 57 . 1 1 5 LYS HD3 H 5.919 5.819 10.815 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 1 . 58 . 1 1 5 LYS HE2 H 7.820 4.874 8.716 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 1 . 59 . 1 1 5 LYS HE3 H 8.492 5.772 10.078 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 1 . 60 . 1 1 5 LYS HG2 H 5.433 4.473 8.638 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 1 . 61 . 1 1 5 LYS HG3 H 5.662 6.021 7.822 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 1 . 62 . 1 1 5 LYS HZ1 H 6.584 3.581 10.554 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 1 . 63 . 1 1 5 LYS HZ2 H 7.791 4.198 11.580 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 1 . 64 . 1 1 5 LYS HZ3 H 8.215 3.227 10.254 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 1 . 65 . 1 1 5 LYS N N 3.722 4.779 7.031 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 1 . 66 . 1 1 5 LYS NZ N 7.555 3.952 10.598 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 1 . 67 . 1 1 5 LYS O O 2.931 7.313 6.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 1 . 68 . 1 1 5 LYS OXT O 1.302 7.175 7.882 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 2 . 69 . 1 1 1 . C C 7.320 4.262 1.692 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 2 . 70 . 1 1 1 . CA C 6.943 3.877 3.121 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 2 . 71 . 1 1 1 . CB C 6.613 2.384 3.175 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 2 . 72 . 1 1 1 . CG C 5.377 2.120 2.306 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 2 . 73 . 1 1 1 . H H 8.783 3.438 3.959 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 2 . 74 . 1 1 1 . H1 H 7.702 4.217 5.015 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 2 . 75 . 1 1 1 . HA H 6.097 4.433 3.412 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 2 . 76 . 1 1 1 . HB2 H 7.455 1.836 2.772 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 2 . 77 . 1 1 1 . HG1 H 5.158 2.998 1.712 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 2 . 78 . 1 1 1 . HG2 H 4.533 1.891 2.936 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 2 . 79 . 1 1 1 . HG3 H 5.573 1.286 1.648 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 2 . 80 . 1 1 1 . HT3 H 8.477 5.096 3.783 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 2 . 81 . 1 1 1 . N N 8.062 4.179 4.039 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 2 . 82 . 1 1 1 . O O 7.764 3.412 0.918 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 2 . 83 . 1 1 2 PRO C C 5.164 6.349 2.607 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 2 . 84 . 1 1 2 PRO CA C 6.611 6.601 2.196 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 2 . 85 . 1 1 2 PRO CB C 6.715 7.871 1.340 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 2 . 86 . 1 1 2 PRO CD C 7.439 6.011 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 2 . 87 . 1 1 2 PRO CG C 7.580 7.516 0.173 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 2 . 88 . 1 1 2 PRO HA H 7.232 6.706 3.071 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 2 . 89 . 1 1 2 PRO HB2 H 5.734 8.171 1.001 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 2 . 90 . 1 1 2 PRO HB3 H 7.173 8.666 1.908 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 2 . 91 . 1 1 2 PRO HD2 H 6.622 5.792 -0.705 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 2 . 92 . 1 1 2 PRO HD3 H 8.361 5.584 -0.392 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 2 . 93 . 1 1 2 PRO HG2 H 7.246 8.046 -0.709 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 2 . 94 . 1 1 2 PRO HG3 H 8.609 7.758 0.387 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 2 . 95 . 1 1 2 PRO N N 7.145 5.511 1.311 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 2 . 96 . 1 1 2 PRO O O 4.719 6.789 3.667 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 2 . 97 . 1 1 3 GLY C C 2.962 4.710 3.461 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 2 . 98 . 1 1 3 GLY CA C 3.078 5.259 2.052 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 2 . 99 . 1 1 3 GLY H H 4.871 5.274 0.960 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 2 . 100 . 1 1 3 GLY HA2 H 2.447 6.129 1.941 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 2 . 101 . 1 1 3 GLY HA3 H 2.774 4.498 1.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 2 . 102 . 1 1 3 GLY N N 4.453 5.610 1.771 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 2 . 103 . 1 1 3 GLY O O 2.028 5.033 4.194 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 2 . 104 . 1 1 4 CYS C C 3.087 4.011 6.129 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 2 . 105 . 1 1 4 CYS CA C 3.963 3.243 5.129 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 2 . 106 . 1 1 4 CYS CB C 5.411 3.189 5.636 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 2 . 107 . 1 1 4 CYS H H 4.623 3.645 3.166 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 2 . 108 . 1 1 4 CYS HA H 3.592 2.239 5.041 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 2 . 109 . 1 1 4 CYS HB2 H 5.916 4.112 5.412 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 2 . 110 . 1 1 4 CYS HB3 H 5.398 3.055 6.709 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 2 . 111 . 1 1 4 CYS N N 3.927 3.868 3.816 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 2 . 112 . 1 1 4 CYS O O 1.861 3.908 6.077 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 2 . 113 . 1 1 4 CYS SG S 6.304 1.790 4.878 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 2 . 114 . 1 1 5 LYS C C 1.497 5.259 8.005 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 2 . 115 . 1 1 5 LYS CA C 2.993 5.555 8.032 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 2 . 116 . 1 1 5 LYS CB C 3.222 7.046 7.784 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 2 . 117 . 1 1 5 LYS CD C 4.908 8.658 6.885 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 2 . 118 . 1 1 5 LYS CE C 6.391 9.037 6.910 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 2 . 119 . 1 1 5 LYS CG C 4.715 7.304 7.569 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 2 . 120 . 1 1 5 LYS H H 4.692 4.813 7.021 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 2 . 121 . 1 1 5 LYS HA H 3.378 5.307 9.010 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 2 . 122 . 1 1 5 LYS HB2 H 2.673 7.353 6.905 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 2 . 123 . 1 1 5 LYS HB3 H 2.880 7.611 8.638 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 2 . 124 . 1 1 5 LYS HD2 H 4.569 8.595 5.861 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 2 . 125 . 1 1 5 LYS HD3 H 4.338 9.411 7.408 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 2 . 126 . 1 1 5 LYS HE2 H 6.978 8.175 7.191 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 2 . 127 . 1 1 5 LYS HE3 H 6.693 9.373 5.929 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 2 . 128 . 1 1 5 LYS HG2 H 5.219 7.307 8.525 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 2 . 129 . 1 1 5 LYS HG3 H 5.130 6.526 6.946 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 2 . 130 . 1 1 5 LYS HZ1 H 6.042 9.945 8.751 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 2 . 131 . 1 1 5 LYS HZ2 H 6.321 11.038 7.479 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 2 . 132 . 1 1 5 LYS HZ3 H 7.615 10.170 8.157 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 2 . 133 . 1 1 5 LYS N N 3.717 4.773 7.029 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 2 . 134 . 1 1 5 LYS NZ N 6.609 10.130 7.899 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 2 . 135 . 1 1 5 LYS O O 1.117 4.181 8.431 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 2 . 136 . 1 1 5 LYS OXT O 0.752 6.115 7.557 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 3 . 137 . 1 1 1 . C C 7.237 4.224 1.608 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 3 . 138 . 1 1 1 . CA C 6.924 3.878 3.060 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 3 . 139 . 1 1 1 . CB C 6.598 2.385 3.167 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 3 . 140 . 1 1 1 . CG C 5.324 2.097 2.362 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 3 . 141 . 1 1 1 . H H 8.368 3.362 4.448 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 3 . 142 . 1 1 1 . H1 H 7.820 4.966 4.572 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 3 . 143 . 1 1 1 . HA H 6.092 4.448 3.375 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 3 . 144 . 1 1 1 . HB2 H 7.422 1.828 2.737 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 3 . 145 . 1 1 1 . HG1 H 5.074 2.960 1.761 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 3 . 146 . 1 1 1 . HG2 H 4.512 1.879 3.037 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 3 . 147 . 1 1 1 . HG3 H 5.493 1.249 1.716 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 3 . 148 . 1 1 1 . HT3 H 8.873 4.519 3.316 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 3 . 149 . 1 1 1 . N N 8.085 4.205 3.914 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 3 . 150 . 1 1 1 . O O 7.607 3.347 0.827 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 3 . 151 . 1 1 2 PRO C C 5.185 6.429 2.549 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 3 . 152 . 1 1 2 PRO CA C 6.640 6.587 2.116 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 3 . 153 . 1 1 2 PRO CB C 6.818 7.853 1.265 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 3 . 154 . 1 1 2 PRO CD C 7.320 5.943 -0.141 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 3 . 155 . 1 1 2 PRO CG C 7.573 7.435 0.042 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 3 . 156 . 1 1 2 PRO HA H 7.279 6.643 2.982 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 3 . 157 . 1 1 2 PRO HB2 H 5.853 8.253 0.989 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 3 . 158 . 1 1 2 PRO HB3 H 7.385 8.591 1.812 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 3 . 159 . 1 1 2 PRO HD2 H 6.445 5.777 -0.757 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 3 . 160 . 1 1 2 PRO HD3 H 8.184 5.452 -0.561 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 3 . 161 . 1 1 2 PRO HG2 H 7.216 7.984 -0.819 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 3 . 162 . 1 1 2 PRO HG3 H 8.629 7.609 0.181 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 3 . 163 . 1 1 2 PRO N N 7.085 5.469 1.220 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 3 . 164 . 1 1 2 PRO O O 4.743 7.032 3.527 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 3 . 165 . 1 1 3 GLY C C 2.972 4.728 3.535 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 3 . 166 . 1 1 3 GLY CA C 3.074 5.308 2.139 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 3 . 167 . 1 1 3 GLY H H 4.879 5.125 1.079 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 3 . 168 . 1 1 3 GLY HA2 H 2.493 6.218 2.074 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 3 . 169 . 1 1 3 GLY HA3 H 2.705 4.587 1.436 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 3 . 170 . 1 1 3 GLY N N 4.462 5.586 1.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 3 . 171 . 1 1 3 GLY O O 2.045 5.028 4.287 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 3 . 172 . 1 1 4 CYS C C 3.116 3.946 6.175 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 3 . 173 . 1 1 4 CYS CA C 4.004 3.228 5.152 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 3 . 174 . 1 1 4 CYS CB C 5.457 3.215 5.644 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 3 . 175 . 1 1 4 CYS H H 4.630 3.679 3.191 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 3 . 176 . 1 1 4 CYS HA H 3.666 2.215 5.041 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 3 . 177 . 1 1 4 CYS HB2 H 5.937 4.146 5.399 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 3 . 178 . 1 1 4 CYS HB3 H 5.459 3.096 6.719 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 3 . 179 . 1 1 4 CYS N N 3.944 3.884 3.857 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 3 . 180 . 1 1 4 CYS O O 1.908 3.715 6.216 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 3 . 181 . 1 1 4 CYS SG S 6.375 1.828 4.896 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 3 . 182 . 1 1 5 LYS C C 1.688 6.163 7.371 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 3 . 183 . 1 1 5 LYS CA C 2.927 5.536 8.002 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 3 . 184 . 1 1 5 LYS CB C 3.788 6.628 8.642 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 3 . 185 . 1 1 5 LYS CD C 5.891 7.951 8.364 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 3 . 186 . 1 1 5 LYS CE C 7.068 8.191 7.417 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 3 . 187 . 1 1 5 LYS CG C 5.147 6.682 7.942 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 3 . 188 . 1 1 5 LYS H H 4.664 4.971 6.939 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 3 . 189 . 1 1 5 LYS HA H 2.616 4.843 8.771 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 3 . 190 . 1 1 5 LYS HB2 H 3.293 7.582 8.545 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 3 . 191 . 1 1 5 LYS HB3 H 3.935 6.403 9.689 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 3 . 192 . 1 1 5 LYS HD2 H 5.216 8.793 8.322 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 3 . 193 . 1 1 5 LYS HD3 H 6.260 7.834 9.371 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 3 . 194 . 1 1 5 LYS HE2 H 7.769 8.870 7.880 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 3 . 195 . 1 1 5 LYS HE3 H 7.558 7.252 7.208 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 3 . 196 . 1 1 5 LYS HG2 H 5.729 5.814 8.218 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 3 . 197 . 1 1 5 LYS HG3 H 5.000 6.692 6.873 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 3 . 198 . 1 1 5 LYS HZ1 H 7.211 8.532 5.368 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 3 . 199 . 1 1 5 LYS HZ2 H 6.525 9.820 6.239 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 3 . 200 . 1 1 5 LYS HZ3 H 5.618 8.415 5.939 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 3 . 201 . 1 1 5 LYS N N 3.703 4.813 7.000 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 3 . 202 . 1 1 5 LYS NZ N 6.567 8.785 6.145 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 3 . 203 . 1 1 5 LYS O O 0.666 6.207 8.037 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 3 . 204 . 1 1 5 LYS OXT O 1.778 6.589 6.232 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 4 . 205 . 1 1 1 . C C 7.321 4.251 1.699 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 4 . 206 . 1 1 1 . CA C 6.932 3.877 3.126 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 4 . 207 . 1 1 1 . CB C 6.617 2.382 3.190 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 4 . 208 . 1 1 1 . CG C 5.381 2.101 2.327 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 4 . 209 . 1 1 1 . H H 8.943 3.984 3.599 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 4 . 210 . 1 1 1 . H1 H 7.931 3.637 4.920 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 4 . 211 . 1 1 1 . HA H 6.077 4.428 3.401 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 4 . 212 . 1 1 1 . HB2 H 7.464 1.839 2.786 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 4 . 213 . 1 1 1 . HG1 H 5.158 2.970 1.723 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 4 . 214 . 1 1 1 . HG2 H 4.539 1.878 2.962 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 4 . 215 . 1 1 1 . HG3 H 5.580 1.259 1.681 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 4 . 216 . 1 1 1 . HT3 H 7.999 5.212 4.289 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 4 . 217 . 1 1 1 . N N 8.036 4.201 4.053 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 4 . 218 . 1 1 1 . O O 7.765 3.394 0.934 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 4 . 219 . 1 1 2 PRO C C 5.171 6.365 2.593 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 4 . 220 . 1 1 2 PRO CA C 6.620 6.602 2.175 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 4 . 221 . 1 1 2 PRO CB C 6.727 7.859 1.298 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 4 . 222 . 1 1 2 PRO CD C 7.459 5.980 -0.039 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 4 . 223 . 1 1 2 PRO CG C 7.603 7.485 0.146 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 4 . 224 . 1 1 2 PRO HA H 7.242 6.722 3.048 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 4 . 225 . 1 1 2 PRO HB2 H 5.747 8.148 0.944 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 4 . 226 . 1 1 2 PRO HB3 H 7.177 8.665 1.856 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 4 . 227 . 1 1 2 PRO HD2 H 6.647 5.754 -0.716 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 4 . 228 . 1 1 2 PRO HD3 H 8.381 5.545 -0.389 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 4 . 229 . 1 1 2 PRO HG2 H 7.280 8.005 -0.746 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 4 . 230 . 1 1 2 PRO HG3 H 8.630 7.728 0.366 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 4 . 231 . 1 1 2 PRO N N 7.154 5.497 1.307 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 4 . 232 . 1 1 2 PRO O O 4.728 6.838 3.639 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 4 . 233 . 1 1 3 GLY C C 2.966 4.714 3.479 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 4 . 234 . 1 1 3 GLY CA C 3.077 5.269 2.072 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 4 . 235 . 1 1 3 GLY H H 4.871 5.243 0.979 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 4 . 236 . 1 1 3 GLY HA2 H 2.457 6.148 1.974 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 4 . 237 . 1 1 3 GLY HA3 H 2.758 4.517 1.377 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 4 . 238 . 1 1 3 GLY N N 4.457 5.604 1.780 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 4 . 239 . 1 1 3 GLY O O 2.038 5.037 4.220 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 4 . 240 . 1 1 4 CYS C C 3.088 3.993 6.135 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 4 . 241 . 1 1 4 CYS CA C 3.969 3.235 5.134 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 4 . 242 . 1 1 4 CYS CB C 5.418 3.194 5.643 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 4 . 243 . 1 1 4 CYS H H 4.620 3.641 3.168 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 4 . 244 . 1 1 4 CYS HA H 3.606 2.229 5.042 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 4 . 245 . 1 1 4 CYS HB2 H 5.916 4.117 5.411 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 4 . 246 . 1 1 4 CYS HB3 H 5.404 3.068 6.716 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 4 . 247 . 1 1 4 CYS N N 3.929 3.865 3.825 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 4 . 248 . 1 1 4 CYS O O 1.865 3.863 6.095 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 4 . 249 . 1 1 4 CYS SG S 6.320 1.794 4.897 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 4 . 250 . 1 1 5 LYS C C 1.475 5.307 7.943 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 4 . 251 . 1 1 5 LYS CA C 2.978 5.552 8.027 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 4 . 252 . 1 1 5 LYS CB C 3.259 7.043 7.837 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 4 . 253 . 1 1 5 LYS CD C 5.386 7.113 6.518 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 4 . 254 . 1 1 5 LYS CE C 5.737 8.484 5.936 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 4 . 255 . 1 1 5 LYS CG C 4.767 7.292 7.907 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 4 . 256 . 1 1 5 LYS H H 4.683 4.840 7.003 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 4 . 257 . 1 1 5 LYS HA H 3.322 5.260 9.007 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 4 . 258 . 1 1 5 LYS HB2 H 2.884 7.360 6.875 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 4 . 259 . 1 1 5 LYS HB3 H 2.767 7.603 8.617 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 4 . 260 . 1 1 5 LYS HD2 H 6.283 6.516 6.599 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 4 . 261 . 1 1 5 LYS HD3 H 4.680 6.618 5.869 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 4 . 262 . 1 1 5 LYS HE2 H 6.315 8.355 5.034 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 4 . 263 . 1 1 5 LYS HE3 H 4.828 9.021 5.708 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 4 . 264 . 1 1 5 LYS HG2 H 4.949 8.299 8.255 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 4 . 265 . 1 1 5 LYS HG3 H 5.217 6.588 8.592 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 4 . 266 . 1 1 5 LYS HZ1 H 5.903 9.867 7.484 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 4 . 267 . 1 1 5 LYS HZ2 H 7.237 9.840 6.432 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 4 . 268 . 1 1 5 LYS HZ3 H 7.022 8.597 7.570 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 4 . 269 . 1 1 5 LYS N N 3.711 4.778 7.022 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 4 . 270 . 1 1 5 LYS NZ N 6.534 9.255 6.931 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 4 . 271 . 1 1 5 LYS O O 0.758 6.244 7.634 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 4 . 272 . 1 1 5 LYS OXT O 1.063 4.184 8.188 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 5 . 273 . 1 1 1 . C C 7.224 4.240 1.598 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 5 . 274 . 1 1 1 . CA C 6.918 3.874 3.049 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 5 . 275 . 1 1 1 . CB C 6.587 2.382 3.138 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 5 . 276 . 1 1 1 . CG C 5.310 2.106 2.335 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 5 . 277 . 1 1 1 . H H 8.463 3.306 4.300 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 5 . 278 . 1 1 1 . H1 H 7.787 4.820 4.670 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 5 . 279 . 1 1 1 . HA H 6.090 4.444 3.375 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 5 . 280 . 1 1 1 . HB2 H 7.408 1.828 2.699 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 5 . 281 . 1 1 1 . HG1 H 5.057 2.978 1.747 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 5 . 282 . 1 1 1 . HG2 H 4.500 1.877 3.009 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 5 . 283 . 1 1 1 . HG3 H 5.478 1.268 1.674 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 5 . 284 . 1 1 1 . HT3 H 8.815 4.650 3.328 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 5 . 285 . 1 1 1 . N N 8.086 4.185 3.901 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 5 . 286 . 1 1 1 . O O 7.589 3.374 0.802 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 5 . 287 . 1 1 2 PRO C C 5.168 6.437 2.561 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 5 . 288 . 1 1 2 PRO CA C 6.628 6.590 2.148 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 5 . 289 . 1 1 2 PRO CB C 6.832 7.876 1.332 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 5 . 290 . 1 1 2 PRO CD C 7.293 5.988 -0.123 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 5 . 291 . 1 1 2 PRO CG C 7.559 7.476 0.086 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 5 . 292 . 1 1 2 PRO HA H 7.258 6.616 3.022 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 5 . 293 . 1 1 2 PRO HB2 H 5.874 8.312 1.083 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 5 . 294 . 1 1 2 PRO HB3 H 7.427 8.581 1.893 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 5 . 295 . 1 1 2 PRO HD2 H 6.411 5.839 -0.733 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 5 . 296 . 1 1 2 PRO HD3 H 8.149 5.501 -0.561 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 5 . 297 . 1 1 2 PRO HG2 H 7.187 8.044 -0.756 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 5 . 298 . 1 1 2 PRO HG3 H 8.618 7.642 0.206 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 5 . 299 . 1 1 2 PRO N N 7.069 5.490 1.230 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 5 . 300 . 1 1 2 PRO O O 4.710 7.058 3.519 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 5 . 301 . 1 1 3 GLY C C 2.963 4.716 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 5 . 302 . 1 1 3 GLY CA C 3.067 5.305 2.146 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 5 . 303 . 1 1 3 GLY H H 4.885 5.101 1.114 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 5 . 304 . 1 1 3 GLY HA2 H 2.490 6.215 2.085 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 5 . 305 . 1 1 3 GLY HA3 H 2.700 4.587 1.439 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 5 . 306 . 1 1 3 GLY N N 4.457 5.578 1.845 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 5 . 307 . 1 1 3 GLY O O 2.036 5.012 4.293 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 5 . 308 . 1 1 4 CYS C C 3.122 3.927 6.176 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 5 . 309 . 1 1 4 CYS CA C 4.002 3.210 5.144 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 5 . 310 . 1 1 4 CYS CB C 5.458 3.187 5.630 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 5 . 311 . 1 1 4 CYS H H 4.624 3.676 3.187 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 5 . 312 . 1 1 4 CYS HA H 3.659 2.200 5.030 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 5 . 313 . 1 1 4 CYS HB2 H 5.939 4.120 5.394 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 5 . 314 . 1 1 4 CYS HB3 H 5.463 3.056 6.702 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 5 . 315 . 1 1 4 CYS N N 3.938 3.874 3.854 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 5 . 316 . 1 1 4 CYS O O 1.922 3.662 6.256 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 5 . 317 . 1 1 4 CYS SG S 6.368 1.807 4.861 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 5 . 318 . 1 1 5 LYS C C 1.956 6.508 7.312 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 5 . 319 . 1 1 5 LYS CA C 2.946 5.553 7.971 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 5 . 320 . 1 1 5 LYS CB C 3.895 6.342 8.874 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 5 . 321 . 1 1 5 LYS CD C 6.343 6.035 8.476 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 5 . 322 . 1 1 5 LYS CE C 7.576 5.215 8.859 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 5 . 323 . 1 1 5 LYS CG C 5.117 5.484 9.206 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 5 . 324 . 1 1 5 LYS H H 4.662 5.007 6.867 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 5 . 325 . 1 1 5 LYS HA H 2.401 4.843 8.574 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 5 . 326 . 1 1 5 LYS HB2 H 4.212 7.241 8.365 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 5 . 327 . 1 1 5 LYS HB3 H 3.384 6.607 9.788 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 5 . 328 . 1 1 5 LYS HD2 H 6.184 5.970 7.409 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 5 . 329 . 1 1 5 LYS HD3 H 6.497 7.066 8.755 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 5 . 330 . 1 1 5 LYS HE2 H 7.655 4.357 8.208 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 5 . 331 . 1 1 5 LYS HE3 H 8.460 5.827 8.759 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 5 . 332 . 1 1 5 LYS HG2 H 5.292 5.506 10.273 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 5 . 333 . 1 1 5 LYS HG3 H 4.940 4.467 8.891 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 5 . 334 . 1 1 5 LYS HZ1 H 6.805 3.938 10.314 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 5 . 335 . 1 1 5 LYS HZ2 H 7.060 5.529 10.853 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 5 . 336 . 1 1 5 LYS HZ3 H 8.380 4.481 10.635 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 5 . 337 . 1 1 5 LYS N N 3.709 4.827 6.962 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 5 . 338 . 1 1 5 LYS NZ N 7.446 4.756 10.272 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 5 . 339 . 1 1 5 LYS O O 1.969 6.598 6.095 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 5 . 340 . 1 1 5 LYS OXT O 1.200 7.136 8.035 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 6 . 341 . 1 1 1 . C C 7.243 4.246 1.625 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 6 . 342 . 1 1 1 . CA C 6.938 3.882 3.073 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 6 . 343 . 1 1 1 . CB C 6.614 2.389 3.158 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 6 . 344 . 1 1 1 . CG C 5.354 2.113 2.330 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 6 . 345 . 1 1 1 . H H 8.404 3.347 4.429 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 6 . 346 . 1 1 1 . H1 H 7.825 4.933 4.615 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 6 . 347 . 1 1 1 . HA H 6.105 4.444 3.397 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 6 . 348 . 1 1 1 . HB2 H 7.446 1.839 2.734 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 6 . 349 . 1 1 1 . HG1 H 5.534 1.273 1.675 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 6 . 350 . 1 1 1 . HG2 H 5.115 2.984 1.734 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 6 . 351 . 1 1 1 . HG3 H 4.531 1.888 2.988 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 6 . 352 . 1 1 1 . HT3 H 8.876 4.552 3.334 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 6 . 353 . 1 1 1 . N N 8.099 4.201 3.927 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 6 . 354 . 1 1 1 . O O 7.617 3.382 0.831 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 6 . 355 . 1 1 2 PRO C C 5.163 6.412 2.585 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 6 . 356 . 1 1 2 PRO CA C 6.618 6.585 2.170 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 6 . 357 . 1 1 2 PRO CB C 6.808 7.860 1.349 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 6 . 358 . 1 1 2 PRO CD C 7.275 5.975 -0.116 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 6 . 359 . 1 1 2 PRO CG C 6.797 7.428 -0.081 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 6 . 360 . 1 1 2 PRO HA H 7.250 6.622 3.042 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 6 . 361 . 1 1 2 PRO HB2 H 5.997 8.550 1.540 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 6 . 362 . 1 1 2 PRO HB3 H 7.754 8.319 1.587 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 6 . 363 . 1 1 2 PRO HD2 H 6.680 5.397 -0.810 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 6 . 364 . 1 1 2 PRO HD3 H 8.319 5.922 -0.373 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 6 . 365 . 1 1 2 PRO HG2 H 5.792 7.498 -0.477 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 6 . 366 . 1 1 2 PRO HG3 H 7.467 8.043 -0.658 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 6 . 367 . 1 1 2 PRO N N 7.070 5.491 1.252 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 6 . 368 . 1 1 2 PRO O O 4.713 6.975 3.582 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 6 . 369 . 1 1 3 GLY C C 2.963 4.716 3.518 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 6 . 370 . 1 1 3 GLY CA C 3.066 5.297 2.123 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 6 . 371 . 1 1 3 GLY H H 4.876 5.158 1.068 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 6 . 372 . 1 1 3 GLY HA2 H 2.472 6.197 2.051 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 6 . 373 . 1 1 3 GLY HA3 H 2.715 4.568 1.419 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 6 . 374 . 1 1 3 GLY N N 4.451 5.592 1.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 6 . 375 . 1 1 3 GLY O O 2.035 5.013 4.269 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 6 . 376 . 1 1 4 CYS C C 3.120 3.954 6.158 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 6 . 377 . 1 1 4 CYS CA C 4.001 3.223 5.138 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 6 . 378 . 1 1 4 CYS CB C 5.453 3.196 5.634 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 6 . 379 . 1 1 4 CYS H H 4.632 3.676 3.178 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 6 . 380 . 1 1 4 CYS HA H 3.651 2.213 5.032 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 6 . 381 . 1 1 4 CYS HB2 H 5.939 4.127 5.401 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 6 . 382 . 1 1 4 CYS HB3 H 5.450 3.066 6.707 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 6 . 383 . 1 1 4 CYS N N 3.941 3.877 3.842 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 6 . 384 . 1 1 4 CYS O O 1.909 3.742 6.197 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 6 . 385 . 1 1 4 CYS SG S 6.365 1.812 4.876 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 6 . 386 . 1 1 5 LYS C C 2.023 4.619 8.739 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 6 . 387 . 1 1 5 LYS CA C 2.959 5.553 7.978 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 6 . 388 . 1 1 5 LYS CB C 2.143 6.655 7.299 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 6 . 389 . 1 1 5 LYS CD C 3.840 8.484 7.128 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 6 . 390 . 1 1 5 LYS CE C 5.193 8.710 6.450 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 6 . 391 . 1 1 5 LYS CG C 3.042 7.443 6.342 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 6 . 392 . 1 1 5 LYS H H 4.684 4.955 6.916 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 6 . 393 . 1 1 5 LYS HA H 3.646 6.008 8.677 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 6 . 394 . 1 1 5 LYS HB2 H 1.330 6.208 6.744 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 6 . 395 . 1 1 5 LYS HB3 H 1.746 7.323 8.047 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 6 . 396 . 1 1 5 LYS HD2 H 3.290 9.414 7.154 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 6 . 397 . 1 1 5 LYS HD3 H 3.999 8.131 8.135 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 6 . 398 . 1 1 5 LYS HE2 H 5.942 8.094 6.926 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 6 . 399 . 1 1 5 LYS HE3 H 5.120 8.444 5.405 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 6 . 400 . 1 1 5 LYS HG2 H 3.723 6.765 5.848 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 6 . 401 . 1 1 5 LYS HG3 H 2.432 7.942 5.604 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 6 . 402 . 1 1 5 LYS HZ1 H 4.754 10.701 6.870 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 6 . 403 . 1 1 5 LYS HZ2 H 5.918 10.491 5.652 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 6 . 404 . 1 1 5 LYS HZ3 H 6.333 10.241 7.279 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 6 . 405 . 1 1 5 LYS N N 3.722 4.813 6.980 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 6 . 406 . 1 1 5 LYS NZ N 5.579 10.144 6.572 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 6 . 407 . 1 1 5 LYS O O 1.349 5.091 9.639 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 6 . 408 . 1 1 5 LYS OXT O 1.996 3.444 8.411 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 7 . 409 . 1 1 1 . C C 7.027 4.261 1.416 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 7 . 410 . 1 1 1 . CA C 6.830 3.828 2.865 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 7 . 411 . 1 1 1 . CB C 6.451 2.342 2.876 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 7 . 412 . 1 1 1 . CG C 5.103 2.173 2.163 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 7 . 413 . 1 1 1 . H H 8.421 3.135 3.997 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 7 . 414 . 1 1 1 . H1 H 7.899 4.698 4.410 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 7 . 415 . 1 1 1 . HA H 6.050 4.410 3.303 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 7 . 416 . 1 1 1 . HB2 H 7.210 1.802 2.324 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 7 . 417 . 1 1 1 . HG1 H 4.825 3.106 1.689 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 7 . 418 . 1 1 1 . HG2 H 4.348 1.890 2.876 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 7 . 419 . 1 1 1 . HG3 H 5.192 1.405 1.409 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 7 . 420 . 1 1 1 . HT3 H 8.801 4.448 2.992 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 7 . 421 . 1 1 1 . N N 8.084 4.042 3.623 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 7 . 422 . 1 1 1 . O O 7.267 3.425 0.545 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 7 . 423 . 1 1 2 PRO C C 5.168 6.537 2.608 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 7 . 424 . 1 1 2 PRO CA C 6.619 6.580 2.148 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 7 . 425 . 1 1 2 PRO CB C 6.929 7.891 1.422 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 7 . 426 . 1 1 2 PRO CD C 7.025 6.091 -0.218 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 7 . 427 . 1 1 2 PRO CG C 6.783 7.593 -0.035 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 7 . 428 . 1 1 2 PRO HA H 7.280 6.472 2.992 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 7 . 429 . 1 1 2 PRO HB2 H 6.226 8.656 1.721 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 7 . 430 . 1 1 2 PRO HB3 H 7.939 8.207 1.634 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 7 . 431 . 1 1 2 PRO HD2 H 6.270 5.664 -0.866 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 7 . 432 . 1 1 2 PRO HD3 H 8.011 5.908 -0.611 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 7 . 433 . 1 1 2 PRO HG2 H 5.786 7.851 -0.365 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 7 . 434 . 1 1 2 PRO HG3 H 7.515 8.147 -0.600 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 7 . 435 . 1 1 2 PRO N N 6.909 5.531 1.131 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 7 . 436 . 1 1 2 PRO O O 4.747 7.320 3.458 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 7 . 437 . 1 1 3 GLY C C 2.983 4.706 3.764 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 7 . 438 . 1 1 3 GLY CA C 3.033 5.407 2.428 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 7 . 439 . 1 1 3 GLY H H 4.823 4.977 1.409 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 7 . 440 . 1 1 3 GLY HA2 H 2.538 6.366 2.490 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 7 . 441 . 1 1 3 GLY HA3 H 2.556 4.791 1.690 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 7 . 442 . 1 1 3 GLY N N 4.422 5.588 2.057 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 7 . 443 . 1 1 3 GLY O O 2.108 4.952 4.596 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 7 . 444 . 1 1 4 CYS C C 3.307 3.670 6.306 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 7 . 445 . 1 1 4 CYS CA C 4.083 3.049 5.146 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 7 . 446 . 1 1 4 CYS CB C 5.568 2.949 5.514 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 7 . 447 . 1 1 4 CYS H H 4.589 3.680 3.218 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 7 . 448 . 1 1 4 CYS HA H 3.708 2.075 4.958 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 7 . 449 . 1 1 4 CYS HB2 H 6.057 3.887 5.320 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 7 . 450 . 1 1 4 CYS HB3 H 5.651 2.722 6.567 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 7 . 451 . 1 1 4 CYS N N 3.950 3.826 3.940 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 7 . 452 . 1 1 4 CYS O O 2.468 3.011 6.918 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 7 . 453 . 1 1 4 CYS SG S 6.369 1.625 4.558 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 7 . 454 . 1 1 5 LYS C C 1.394 5.521 7.528 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 7 . 455 . 1 1 5 LYS CA C 2.909 5.622 7.688 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 7 . 456 . 1 1 5 LYS CB C 3.321 7.093 7.697 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 7 . 457 . 1 1 5 LYS CD C 5.544 8.234 7.643 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 7 . 458 . 1 1 5 LYS CE C 6.351 7.487 6.580 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 7 . 459 . 1 1 5 LYS CG C 4.668 7.241 8.408 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 7 . 460 . 1 1 5 LYS H H 4.266 5.403 6.084 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 7 . 461 . 1 1 5 LYS HA H 3.195 5.173 8.626 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 7 . 462 . 1 1 5 LYS HB2 H 3.408 7.448 6.680 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 7 . 463 . 1 1 5 LYS HB3 H 2.575 7.668 8.218 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 7 . 464 . 1 1 5 LYS HD2 H 4.917 8.974 7.166 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 7 . 465 . 1 1 5 LYS HD3 H 6.220 8.722 8.329 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 7 . 466 . 1 1 5 LYS HE2 H 5.777 6.647 6.217 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 7 . 467 . 1 1 5 LYS HE3 H 6.570 8.154 5.760 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 7 . 468 . 1 1 5 LYS HG2 H 4.505 7.601 9.413 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 7 . 469 . 1 1 5 LYS HG3 H 5.162 6.281 8.445 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 7 . 470 . 1 1 5 LYS HZ1 H 8.085 7.765 7.702 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 7 . 471 . 1 1 5 LYS HZ2 H 8.259 6.667 6.417 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 7 . 472 . 1 1 5 LYS HZ3 H 7.426 6.207 7.824 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 7 . 473 . 1 1 5 LYS N N 3.589 4.929 6.601 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 7 . 474 . 1 1 5 LYS NZ N 7.626 6.994 7.176 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 7 . 475 . 1 1 5 LYS O O 0.887 4.412 7.555 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 7 . 476 . 1 1 5 LYS OXT O 0.764 6.555 7.383 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 8 . 477 . 1 1 1 . C C 7.267 4.236 1.638 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 8 . 478 . 1 1 1 . CA C 6.927 3.875 3.081 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 8 . 479 . 1 1 1 . CB C 6.600 2.382 3.169 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 8 . 480 . 1 1 1 . CG C 5.340 2.102 2.340 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 8 . 481 . 1 1 1 . H H 7.831 5.022 4.545 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 8 . 482 . 1 1 1 . H1 H 8.903 4.408 3.378 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 8 . 483 . 1 1 1 . HA H 6.089 4.440 3.384 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 8 . 484 . 1 1 1 . HB2 H 7.432 1.829 2.748 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 8 . 485 . 1 1 1 . HG1 H 5.103 2.970 1.740 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 8 . 486 . 1 1 1 . HG2 H 4.515 1.882 2.999 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 8 . 487 . 1 1 1 . HG3 H 5.518 1.258 1.692 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 8 . 488 . 1 1 1 . HT3 H 8.269 3.384 4.576 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 8 . 489 . 1 1 1 . N N 8.071 4.195 3.962 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 8 . 490 . 1 1 1 . O O 7.664 3.370 0.859 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 8 . 491 . 1 1 2 PRO C C 5.176 6.400 2.570 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 8 . 492 . 1 1 2 PRO CA C 6.630 6.591 2.146 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 8 . 493 . 1 1 2 PRO CB C 6.783 7.860 1.295 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 8 . 494 . 1 1 2 PRO CD C 7.366 5.966 -0.100 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 8 . 495 . 1 1 2 PRO CG C 7.582 7.463 0.093 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 8 . 496 . 1 1 2 PRO HA H 7.262 6.665 3.016 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 8 . 497 . 1 1 2 PRO HB2 H 5.811 8.224 0.994 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 8 . 498 . 1 1 2 PRO HB3 H 7.311 8.620 1.850 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 8 . 499 . 1 1 2 PRO HD2 H 6.512 5.782 -0.739 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 8 . 500 . 1 1 2 PRO HD3 H 8.252 5.498 -0.499 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 8 . 501 . 1 1 2 PRO HG2 H 7.234 8.006 -0.776 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 8 . 502 . 1 1 2 PRO HG3 H 8.628 7.661 0.261 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 8 . 503 . 1 1 2 PRO N N 7.108 5.482 1.254 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 8 . 504 . 1 1 2 PRO O O 4.731 6.946 3.580 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 8 . 505 . 1 1 3 GLY C C 2.968 4.723 3.508 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 8 . 506 . 1 1 3 GLY CA C 3.074 5.290 2.106 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 8 . 507 . 1 1 3 GLY H H 4.876 5.175 1.033 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 8 . 508 . 1 1 3 GLY HA2 H 2.475 6.185 2.024 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 8 . 509 . 1 1 3 GLY HA3 H 2.727 4.552 1.408 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 8 . 510 . 1 1 3 GLY N N 4.459 5.593 1.804 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 8 . 511 . 1 1 3 GLY O O 2.041 5.035 4.255 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 8 . 512 . 1 1 4 CYS C C 3.110 3.982 6.157 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 8 . 513 . 1 1 4 CYS CA C 3.990 3.237 5.145 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 8 . 514 . 1 1 4 CYS CB C 5.443 3.208 5.640 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 8 . 515 . 1 1 4 CYS H H 4.625 3.664 3.180 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 8 . 516 . 1 1 4 CYS HA H 3.636 2.227 5.047 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 8 . 517 . 1 1 4 CYS HB2 H 5.932 4.135 5.399 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 8 . 518 . 1 1 4 CYS HB3 H 5.440 3.086 6.713 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 8 . 519 . 1 1 4 CYS N N 3.937 3.878 3.841 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 8 . 520 . 1 1 4 CYS O O 1.889 3.819 6.153 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 8 . 521 . 1 1 4 CYS SG S 6.346 1.813 4.889 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 8 . 522 . 1 1 5 LYS C C 3.015 7.037 7.726 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 8 . 523 . 1 1 5 LYS CA C 2.951 5.540 8.012 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 8 . 524 . 1 1 5 LYS CB C 3.501 5.263 9.413 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 8 . 525 . 1 1 5 LYS CD C 5.677 4.071 9.741 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 8 . 526 . 1 1 5 LYS CE C 7.199 4.208 9.666 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 8 . 527 . 1 1 5 LYS CG C 5.025 5.415 9.406 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 8 . 528 . 1 1 5 LYS H H 4.686 4.899 6.991 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 8 . 529 . 1 1 5 LYS HA H 1.922 5.218 7.973 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 8 . 530 . 1 1 5 LYS HB2 H 3.073 5.966 10.113 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 8 . 531 . 1 1 5 LYS HB3 H 3.242 4.258 9.708 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 8 . 532 . 1 1 5 LYS HD2 H 5.390 3.772 10.739 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 8 . 533 . 1 1 5 LYS HD3 H 5.349 3.325 9.034 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 8 . 534 . 1 1 5 LYS HE2 H 7.565 3.679 8.799 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 8 . 535 . 1 1 5 LYS HE3 H 7.463 5.252 9.588 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 8 . 536 . 1 1 5 LYS HG2 H 5.351 5.739 8.428 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 8 . 537 . 1 1 5 LYS HG3 H 5.318 6.147 10.143 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 8 . 538 . 1 1 5 LYS HZ1 H 8.668 3.103 10.642 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 8 . 539 . 1 1 5 LYS HZ2 H 7.130 2.990 11.353 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 8 . 540 . 1 1 5 LYS HZ3 H 8.060 4.397 11.552 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 8 . 541 . 1 1 5 LYS N N 3.717 4.796 7.019 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 8 . 542 . 1 1 5 LYS NZ N 7.810 3.631 10.896 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 8 . 543 . 1 1 5 LYS O O 2.720 7.418 6.605 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 8 . 544 . 1 1 5 LYS OXT O 3.356 7.780 8.631 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 9 . 545 . 1 1 1 . C C 7.247 4.240 1.621 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 9 . 546 . 1 1 1 . CA C 6.918 3.872 3.065 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 9 . 547 . 1 1 1 . CB C 6.589 2.379 3.146 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 9 . 548 . 1 1 1 . CG C 5.322 2.106 2.327 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 9 . 549 . 1 1 1 . H H 7.724 4.386 4.899 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 9 . 550 . 1 1 1 . H1 H 8.563 5.021 3.564 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 9 . 551 . 1 1 1 . HA H 6.083 4.437 3.378 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 9 . 552 . 1 1 1 . HB2 H 7.417 1.829 2.714 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 9 . 553 . 1 1 1 . HG1 H 5.077 2.981 1.739 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 9 . 554 . 1 1 1 . HG2 H 4.506 1.876 2.992 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 9 . 555 . 1 1 1 . HG3 H 5.497 1.271 1.667 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 9 . 556 . 1 1 1 . HT3 H 8.714 3.376 3.963 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 9 . 557 . 1 1 1 . N N 8.069 4.187 3.938 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 9 . 558 . 1 1 1 . O O 7.631 3.375 0.834 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 9 . 559 . 1 1 2 PRO C C 5.173 6.424 2.571 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 9 . 560 . 1 1 2 PRO CA C 6.629 6.594 2.149 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 9 . 561 . 1 1 2 PRO CB C 6.803 7.869 1.310 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 9 . 562 . 1 1 2 PRO CD C 7.342 5.978 -0.107 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 9 . 563 . 1 1 2 PRO CG C 7.580 7.470 0.094 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 9 . 564 . 1 1 2 PRO HA H 7.261 6.650 3.019 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 9 . 565 . 1 1 2 PRO HB2 H 5.835 8.260 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 9 . 566 . 1 1 2 PRO HB3 H 7.353 8.610 1.869 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 9 . 567 . 1 1 2 PRO HD2 H 6.479 5.810 -0.738 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 9 . 568 . 1 1 2 PRO HD3 H 8.216 5.501 -0.519 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 9 . 569 . 1 1 2 PRO HG2 H 7.228 8.024 -0.766 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 9 . 570 . 1 1 2 PRO HG3 H 8.631 7.652 0.249 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 9 . 571 . 1 1 2 PRO N N 7.093 5.489 1.246 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 9 . 572 . 1 1 2 PRO O O 4.722 7.015 3.552 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 9 . 573 . 1 1 3 GLY C C 2.966 4.716 3.535 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 9 . 574 . 1 1 3 GLY CA C 3.069 5.300 2.140 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 9 . 575 . 1 1 3 GLY H H 4.878 5.133 1.085 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 9 . 576 . 1 1 3 GLY HA2 H 2.484 6.206 2.075 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 9 . 577 . 1 1 3 GLY HA3 H 2.706 4.578 1.435 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 9 . 578 . 1 1 3 GLY N N 4.457 5.585 1.836 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 9 . 579 . 1 1 3 GLY O O 2.041 5.019 4.289 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 9 . 580 . 1 1 4 CYS C C 3.119 3.937 6.172 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 9 . 581 . 1 1 4 CYS CA C 3.995 3.211 5.145 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 9 . 582 . 1 1 4 CYS CB C 5.451 3.180 5.633 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 9 . 583 . 1 1 4 CYS H H 4.621 3.665 3.187 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 9 . 584 . 1 1 4 CYS HA H 3.646 2.204 5.036 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 9 . 585 . 1 1 4 CYS HB2 H 5.937 4.109 5.397 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 9 . 586 . 1 1 4 CYS HB3 H 5.455 3.048 6.705 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 9 . 587 . 1 1 4 CYS N N 3.936 3.869 3.853 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 9 . 588 . 1 1 4 CYS O O 1.913 3.700 6.234 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 9 . 589 . 1 1 4 CYS SG S 6.354 1.795 4.863 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 9 . 590 . 1 1 5 LYS C C 1.558 5.884 7.449 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 9 . 591 . 1 1 5 LYS CA C 2.950 5.552 7.975 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 9 . 592 . 1 1 5 LYS CB C 3.680 6.845 8.342 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 9 . 593 . 1 1 5 LYS CD C 5.499 6.819 6.630 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 9 . 594 . 1 1 5 LYS CE C 6.072 8.213 6.367 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 9 . 595 . 1 1 5 LYS CG C 5.182 6.666 8.118 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 9 . 596 . 1 1 5 LYS H H 4.672 4.980 6.893 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 9 . 597 . 1 1 5 LYS HA H 2.856 4.941 8.860 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 9 . 598 . 1 1 5 LYS HB2 H 3.315 7.652 7.723 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 9 . 599 . 1 1 5 LYS HB3 H 3.497 7.076 9.380 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 9 . 600 . 1 1 5 LYS HD2 H 6.221 6.071 6.337 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 9 . 601 . 1 1 5 LYS HD3 H 4.593 6.690 6.054 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 9 . 602 . 1 1 5 LYS HE2 H 6.448 8.263 5.355 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 9 . 603 . 1 1 5 LYS HE3 H 5.297 8.952 6.501 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 9 . 604 . 1 1 5 LYS HG2 H 5.722 7.415 8.681 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 9 . 605 . 1 1 5 LYS HG3 H 5.481 5.683 8.448 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 9 . 606 . 1 1 5 LYS HZ1 H 6.809 8.954 8.168 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 9 . 607 . 1 1 5 LYS HZ2 H 7.892 9.093 6.866 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 9 . 608 . 1 1 5 LYS HZ3 H 7.628 7.582 7.599 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 9 . 609 . 1 1 5 LYS N N 3.714 4.819 6.973 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 9 . 610 . 1 1 5 LYS NZ N 7.184 8.480 7.322 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 9 . 611 . 1 1 5 LYS O O 1.405 6.940 6.858 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 9 . 612 . 1 1 5 LYS OXT O 0.664 5.077 7.645 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 10 . 613 . 1 1 1 . C C 7.177 4.249 1.557 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 10 . 614 . 1 1 1 . CA C 6.878 3.860 3.001 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 10 . 615 . 1 1 1 . CB C 6.547 2.365 3.056 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 10 . 616 . 1 1 1 . CG C 5.250 2.116 2.278 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 10 . 617 . 1 1 1 . H H 8.793 4.591 3.279 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 10 . 618 . 1 1 1 . H1 H 8.399 3.269 4.273 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 10 . 619 . 1 1 1 . HA H 6.051 4.424 3.342 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 10 . 620 . 1 1 1 . HB2 H 7.356 1.825 2.578 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 10 . 621 . 1 1 1 . HG1 H 5.399 1.299 1.587 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 10 . 622 . 1 1 1 . HG2 H 4.982 3.006 1.727 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 10 . 623 . 1 1 1 . HG3 H 4.458 1.865 2.965 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 10 . 624 . 1 1 1 . HT3 H 7.765 4.809 4.610 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 10 . 625 . 1 1 1 . N N 8.048 4.153 3.855 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 10 . 626 . 1 1 1 . O O 7.516 3.393 0.740 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 10 . 627 . 1 1 2 PRO C C 5.165 6.489 2.572 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 10 . 628 . 1 1 2 PRO CA C 6.629 6.600 2.152 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 10 . 629 . 1 1 2 PRO CB C 6.866 7.893 1.355 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 10 . 630 . 1 1 2 PRO CD C 7.254 6.022 -0.136 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 10 . 631 . 1 1 2 PRO CG C 7.583 7.492 0.104 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 10 . 632 . 1 1 2 PRO HA H 7.264 6.596 3.023 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 10 . 633 . 1 1 2 PRO HB2 H 5.919 8.355 1.112 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 10 . 634 . 1 1 2 PRO HB3 H 7.477 8.574 1.926 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 10 . 635 . 1 1 2 PRO HD2 H 6.354 5.924 -0.728 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 10 . 636 . 1 1 2 PRO HD3 H 8.080 5.511 -0.602 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 10 . 637 . 1 1 2 PRO HG2 H 7.238 8.093 -0.728 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 10 . 638 . 1 1 2 PRO HG3 H 8.647 7.609 0.231 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 10 . 639 . 1 1 2 PRO N N 7.039 5.507 1.212 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 10 . 640 . 1 1 2 PRO O O 4.709 7.200 3.467 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 10 . 641 . 1 1 3 GLY C C 2.963 4.703 3.629 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 10 . 642 . 1 1 3 GLY CA C 3.052 5.340 2.259 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 10 . 643 . 1 1 3 GLY H H 4.871 5.024 1.253 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 10 . 644 . 1 1 3 GLY HA2 H 2.510 6.276 2.249 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 10 . 645 . 1 1 3 GLY HA3 H 2.638 4.667 1.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 10 . 646 . 1 1 3 GLY N N 4.448 5.572 1.936 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 10 . 647 . 1 1 3 GLY O O 2.055 4.978 4.412 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 10 . 648 . 1 1 4 CYS C C 3.169 3.798 6.227 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 10 . 649 . 1 1 4 CYS CA C 4.023 3.128 5.145 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 10 . 650 . 1 1 4 CYS CB C 5.489 3.092 5.594 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 10 . 651 . 1 1 4 CYS H H 4.602 3.664 3.201 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 10 . 652 . 1 1 4 CYS HA H 3.682 2.128 4.995 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 10 . 653 . 1 1 4 CYS HB2 H 5.965 4.030 5.369 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 10 . 654 . 1 1 4 CYS HB3 H 5.524 2.932 6.662 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 10 . 655 . 1 1 4 CYS N N 3.933 3.841 3.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 10 . 656 . 1 1 4 CYS O O 2.064 3.342 6.520 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 10 . 657 . 1 1 4 CYS SG S 6.378 1.735 4.765 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 10 . 658 . 1 1 5 LYS C C 2.561 6.987 7.374 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 10 . 659 . 1 1 5 LYS CA C 2.940 5.590 7.853 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 10 . 660 . 1 1 5 LYS CB C 3.780 5.695 9.134 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 10 . 661 . 1 1 5 LYS CD C 5.412 7.555 8.719 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 10 . 662 . 1 1 5 LYS CE C 6.441 7.910 7.641 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 10 . 663 . 1 1 5 LYS CG C 5.237 6.033 8.793 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 10 . 664 . 1 1 5 LYS H H 4.552 5.204 6.545 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 10 . 665 . 1 1 5 LYS HA H 2.036 5.042 8.074 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 10 . 666 . 1 1 5 LYS HB2 H 3.371 6.470 9.765 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 10 . 667 . 1 1 5 LYS HB3 H 3.746 4.753 9.660 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 10 . 668 . 1 1 5 LYS HD2 H 4.465 8.015 8.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 10 . 669 . 1 1 5 LYS HD3 H 5.755 7.921 9.674 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 10 . 670 . 1 1 5 LYS HE2 H 7.084 8.699 8.004 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 10 . 671 . 1 1 5 LYS HE3 H 7.039 7.041 7.408 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 10 . 672 . 1 1 5 LYS HG2 H 5.884 5.636 9.561 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 10 . 673 . 1 1 5 LYS HG3 H 5.498 5.594 7.845 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 10 . 674 . 1 1 5 LYS HZ1 H 5.953 7.731 5.624 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 10 . 675 . 1 1 5 LYS HZ2 H 6.051 9.336 6.174 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 10 . 676 . 1 1 5 LYS HZ3 H 4.709 8.375 6.581 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 10 . 677 . 1 1 5 LYS N N 3.677 4.878 6.814 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 10 . 678 . 1 1 5 LYS NZ N 5.735 8.373 6.413 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 10 . 679 . 1 1 5 LYS O O 3.176 7.456 6.430 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 10 . 680 . 1 1 5 LYS OXT O 1.662 7.569 7.959 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 11 . 681 . 1 1 1 . C C 7.263 4.236 1.635 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 11 . 682 . 1 1 1 . CA C 6.926 3.876 3.078 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 11 . 683 . 1 1 1 . CB C 6.599 2.384 3.168 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 11 . 684 . 1 1 1 . CG C 5.338 2.103 2.342 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 11 . 685 . 1 1 1 . H H 7.904 5.112 4.416 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 11 . 686 . 1 1 1 . H1 H 8.938 4.243 3.385 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 11 . 687 . 1 1 1 . HA H 6.089 4.441 3.384 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 11 . 688 . 1 1 1 . HB2 H 7.430 1.830 2.746 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 11 . 689 . 1 1 1 . HG1 H 5.097 2.972 1.744 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 11 . 690 . 1 1 1 . HG2 H 4.515 1.880 3.002 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 11 . 691 . 1 1 1 . HG3 H 5.516 1.260 1.691 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 11 . 692 . 1 1 1 . HT3 H 8.167 3.457 4.679 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 11 . 693 . 1 1 1 . N N 8.071 4.196 3.956 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 11 . 694 . 1 1 1 . O O 7.657 3.368 0.855 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 11 . 695 . 1 1 2 PRO C C 5.177 6.406 2.567 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 11 . 696 . 1 1 2 PRO CA C 6.631 6.591 2.143 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 11 . 697 . 1 1 2 PRO CB C 6.788 7.861 1.291 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 11 . 698 . 1 1 2 PRO CD C 7.361 5.964 -0.105 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 11 . 699 . 1 1 2 PRO CG C 7.579 7.461 0.085 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 11 . 700 . 1 1 2 PRO HA H 7.263 6.663 3.013 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 11 . 701 . 1 1 2 PRO HB2 H 5.816 8.230 0.995 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 11 . 702 . 1 1 2 PRO HB3 H 7.322 8.617 1.846 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 11 . 703 . 1 1 2 PRO HD2 H 6.505 5.780 -0.742 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 11 . 704 . 1 1 2 PRO HD3 H 8.245 5.494 -0.506 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 11 . 705 . 1 1 2 PRO HG2 H 7.227 8.004 -0.782 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 11 . 706 . 1 1 2 PRO HG3 H 8.627 7.658 0.248 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 11 . 707 . 1 1 2 PRO N N 7.105 5.483 1.250 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 11 . 708 . 1 1 2 PRO O O 4.731 6.963 3.570 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 11 . 709 . 1 1 3 GLY C C 2.968 4.723 3.512 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 11 . 710 . 1 1 3 GLY CA C 3.074 5.292 2.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 11 . 711 . 1 1 3 GLY H H 4.878 5.165 1.042 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 11 . 712 . 1 1 3 GLY HA2 H 2.478 6.189 2.030 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 11 . 713 . 1 1 3 GLY HA3 H 2.725 4.557 1.412 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 11 . 714 . 1 1 3 GLY N N 4.460 5.590 1.809 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 11 . 715 . 1 1 3 GLY O O 2.041 5.034 4.260 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 11 . 716 . 1 1 4 CYS C C 3.109 3.976 6.160 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 11 . 717 . 1 1 4 CYS CA C 3.990 3.235 5.145 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 11 . 718 . 1 1 4 CYS CB C 5.443 3.207 5.640 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 11 . 719 . 1 1 4 CYS H H 4.625 3.666 3.182 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 11 . 720 . 1 1 4 CYS HA H 3.638 2.225 5.046 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 11 . 721 . 1 1 4 CYS HB2 H 5.931 4.134 5.400 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 11 . 722 . 1 1 4 CYS HB3 H 5.441 3.084 6.714 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 11 . 723 . 1 1 4 CYS N N 3.936 3.878 3.844 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 11 . 724 . 1 1 4 CYS O O 1.890 3.802 6.164 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 11 . 725 . 1 1 4 CYS SG S 6.349 1.814 4.889 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 11 . 726 . 1 1 5 LYS C C 2.231 6.720 7.362 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 11 . 727 . 1 1 5 LYS CA C 2.949 5.540 8.010 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 11 . 728 . 1 1 5 LYS CB C 3.880 6.050 9.112 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 11 . 729 . 1 1 5 LYS CD C 5.933 7.399 9.590 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 11 . 730 . 1 1 5 LYS CE C 7.336 6.838 9.353 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 11 . 731 . 1 1 5 LYS CG C 4.989 6.903 8.491 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 11 . 732 . 1 1 5 LYS H H 4.683 4.910 6.981 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 11 . 733 . 1 1 5 LYS HA H 2.216 4.883 8.450 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 11 . 734 . 1 1 5 LYS HB2 H 3.314 6.648 9.812 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 11 . 735 . 1 1 5 LYS HB3 H 4.321 5.211 9.628 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 11 . 736 . 1 1 5 LYS HD2 H 5.968 8.479 9.573 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 11 . 737 . 1 1 5 LYS HD3 H 5.573 7.065 10.552 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 11 . 738 . 1 1 5 LYS HE2 H 7.271 5.780 9.145 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 11 . 739 . 1 1 5 LYS HE3 H 7.788 7.343 8.512 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 11 . 740 . 1 1 5 LYS HG2 H 5.544 6.308 7.779 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 11 . 741 . 1 1 5 LYS HG3 H 4.551 7.751 7.986 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 11 . 742 . 1 1 5 LYS HZ1 H 8.696 7.945 10.475 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 11 . 743 . 1 1 5 LYS HZ2 H 8.840 6.264 10.674 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 11 . 744 . 1 1 5 LYS HZ3 H 7.556 7.103 11.407 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 11 . 745 . 1 1 5 LYS N N 3.715 4.798 7.015 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 11 . 746 . 1 1 5 LYS NZ N 8.170 7.054 10.569 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 11 . 747 . 1 1 5 LYS O O 2.219 6.784 6.144 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 11 . 748 . 1 1 5 LYS OXT O 1.704 7.542 8.094 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 12 . 749 . 1 1 1 . C C 7.233 4.223 1.601 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 12 . 750 . 1 1 1 . CA C 6.922 3.876 3.055 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 12 . 751 . 1 1 1 . CB C 6.593 2.385 3.161 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 12 . 752 . 1 1 1 . CG C 5.317 2.100 2.359 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 12 . 753 . 1 1 1 . H H 7.927 5.118 4.368 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 12 . 754 . 1 1 1 . H1 H 8.939 4.248 3.315 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 12 . 755 . 1 1 1 . HA H 6.092 4.448 3.372 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 12 . 756 . 1 1 1 . HB2 H 7.416 1.828 2.728 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 12 . 757 . 1 1 1 . HG1 H 5.066 2.964 1.760 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 12 . 758 . 1 1 1 . HG2 H 4.507 1.880 3.035 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 12 . 759 . 1 1 1 . HG3 H 5.485 1.252 1.711 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 12 . 760 . 1 1 1 . HT3 H 8.199 3.465 4.629 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 12 . 761 . 1 1 1 . N N 8.086 4.200 3.906 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 12 . 762 . 1 1 1 . O O 7.598 3.346 0.819 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 12 . 763 . 1 1 2 PRO C C 5.186 6.430 2.547 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 12 . 764 . 1 1 2 PRO CA C 6.640 6.585 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 12 . 765 . 1 1 2 PRO CB C 6.820 7.853 1.262 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 12 . 766 . 1 1 2 PRO CD C 7.313 5.942 -0.147 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 12 . 767 . 1 1 2 PRO CG C 7.570 7.434 0.036 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 12 . 768 . 1 1 2 PRO HA H 7.281 6.641 2.977 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 12 . 769 . 1 1 2 PRO HB2 H 5.855 8.256 0.989 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 12 . 770 . 1 1 2 PRO HB3 H 7.391 8.588 1.807 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 12 . 771 . 1 1 2 PRO HD2 H 6.438 5.778 -0.761 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 12 . 772 . 1 1 2 PRO HD3 H 8.175 5.451 -0.569 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 12 . 773 . 1 1 2 PRO HG2 H 7.209 7.983 -0.823 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 12 . 774 . 1 1 2 PRO HG3 H 8.626 7.606 0.170 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 12 . 775 . 1 1 2 PRO N N 7.081 5.469 1.215 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 12 . 776 . 1 1 2 PRO O O 4.744 7.038 3.523 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 12 . 777 . 1 1 3 GLY C C 2.972 4.729 3.538 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 12 . 778 . 1 1 3 GLY CA C 3.074 5.310 2.142 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 12 . 779 . 1 1 3 GLY H H 4.878 5.122 1.082 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 12 . 780 . 1 1 3 GLY HA2 H 2.494 6.220 2.077 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 12 . 781 . 1 1 3 GLY HA3 H 2.703 4.589 1.440 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 12 . 782 . 1 1 3 GLY N N 4.462 5.585 1.828 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 12 . 783 . 1 1 3 GLY O O 2.046 5.030 4.291 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 12 . 784 . 1 1 4 CYS C C 3.118 3.946 6.176 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 12 . 785 . 1 1 4 CYS CA C 4.006 3.228 5.152 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 12 . 786 . 1 1 4 CYS CB C 5.461 3.214 5.642 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 12 . 787 . 1 1 4 CYS H H 4.630 3.681 3.192 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 12 . 788 . 1 1 4 CYS HA H 3.667 2.214 5.041 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 12 . 789 . 1 1 4 CYS HB2 H 5.940 4.144 5.397 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 12 . 790 . 1 1 4 CYS HB3 H 5.464 3.093 6.716 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 12 . 791 . 1 1 4 CYS N N 3.945 3.885 3.858 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 12 . 792 . 1 1 4 CYS O O 1.909 3.714 6.216 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 12 . 793 . 1 1 4 CYS SG S 6.376 1.826 4.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 12 . 794 . 1 1 5 LYS C C 2.101 6.638 7.346 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 12 . 795 . 1 1 5 LYS CA C 2.924 5.535 8.002 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 12 . 796 . 1 1 5 LYS CB C 3.853 6.147 9.052 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 12 . 797 . 1 1 5 LYS CD C 6.299 5.724 8.763 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 12 . 798 . 1 1 5 LYS CE C 7.490 5.998 7.843 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 12 . 799 . 1 1 5 LYS CG C 5.136 6.641 8.380 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 12 . 800 . 1 1 5 LYS H H 4.664 4.972 6.941 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 12 . 801 . 1 1 5 LYS HA H 2.254 4.842 8.490 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 12 . 802 . 1 1 5 LYS HB2 H 3.355 6.977 9.532 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 12 . 803 . 1 1 5 LYS HB3 H 4.101 5.400 9.792 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 12 . 804 . 1 1 5 LYS HD2 H 6.584 5.913 9.788 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 12 . 805 . 1 1 5 LYS HD3 H 5.995 4.693 8.657 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 12 . 806 . 1 1 5 LYS HE2 H 7.137 6.170 6.838 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 12 . 807 . 1 1 5 LYS HE3 H 8.022 6.870 8.193 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 12 . 808 . 1 1 5 LYS HG2 H 5.007 6.631 7.306 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 12 . 809 . 1 1 5 LYS HG3 H 5.350 7.646 8.707 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 12 . 810 . 1 1 5 LYS HZ1 H 7.844 3.946 7.885 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 12 . 811 . 1 1 5 LYS HZ2 H 9.022 4.869 8.691 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 12 . 812 . 1 1 5 LYS HZ3 H 8.987 4.826 6.992 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 12 . 813 . 1 1 5 LYS N N 3.703 4.813 7.003 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 12 . 814 . 1 1 5 LYS NZ N 8.405 4.821 7.853 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 12 . 815 . 1 1 5 LYS O O 2.238 6.820 6.146 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 12 . 816 . 1 1 5 LYS OXT O 1.343 7.285 8.051 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 13 . 817 . 1 1 1 . C C 7.216 4.246 1.590 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 13 . 818 . 1 1 1 . CA C 6.928 3.878 3.041 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 13 . 819 . 1 1 1 . CB C 6.590 2.388 3.122 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 13 . 820 . 1 1 1 . CG C 5.314 2.128 2.313 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 13 . 821 . 1 1 1 . H H 8.695 4.888 3.403 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 13 . 822 . 1 1 1 . H1 H 8.655 3.307 4.025 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 13 . 823 . 1 1 1 . HA H 6.106 4.449 3.382 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 13 . 824 . 1 1 1 . HB2 H 7.409 1.834 2.679 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 13 . 825 . 1 1 1 . HG1 H 4.503 1.889 2.981 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 13 . 826 . 1 1 1 . HG2 H 5.480 1.303 1.637 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 13 . 827 . 1 1 1 . HG3 H 5.063 3.012 1.739 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 13 . 828 . 1 1 1 . HT3 H 7.790 4.551 4.796 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 13 . 829 . 1 1 1 . N N 8.108 4.178 3.879 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 13 . 830 . 1 1 1 . O O 7.570 3.382 0.788 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 13 . 831 . 1 1 2 PRO C C 5.166 6.441 2.570 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 13 . 832 . 1 1 2 PRO CA C 6.624 6.586 2.154 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 13 . 833 . 1 1 2 PRO CB C 6.838 7.866 1.344 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 13 . 834 . 1 1 2 PRO CD C 7.246 5.983 -0.143 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 13 . 835 . 1 1 2 PRO CG C 6.813 7.449 -0.090 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 13 . 836 . 1 1 2 PRO HA H 7.258 6.602 3.024 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 13 . 837 . 1 1 2 PRO HB2 H 6.044 8.570 1.546 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 13 . 838 . 1 1 2 PRO HB3 H 7.794 8.301 1.584 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 13 . 839 . 1 1 2 PRO HD2 H 6.623 5.428 -0.831 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 13 . 840 . 1 1 2 PRO HD3 H 8.284 5.900 -0.420 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 13 . 841 . 1 1 2 PRO HG2 H 5.811 7.555 -0.486 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 13 . 842 . 1 1 2 PRO HG3 H 7.502 8.051 -0.662 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 13 . 843 . 1 1 2 PRO N N 7.052 5.494 1.225 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 13 . 844 . 1 1 2 PRO O O 4.712 7.064 3.530 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 13 . 845 . 1 1 3 GLY C C 2.964 4.713 3.548 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 13 . 846 . 1 1 3 GLY CA C 3.065 5.311 2.159 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 13 . 847 . 1 1 3 GLY H H 4.880 5.104 1.126 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 13 . 848 . 1 1 3 GLY HA2 H 2.489 6.224 2.106 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 13 . 849 . 1 1 3 GLY HA3 H 2.694 4.600 1.449 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 13 . 850 . 1 1 3 GLY N N 4.455 5.582 1.856 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 13 . 851 . 1 1 3 GLY O O 2.036 4.999 4.304 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 13 . 852 . 1 1 4 CYS C C 3.132 3.910 6.181 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 13 . 853 . 1 1 4 CYS CA C 4.009 3.203 5.142 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 13 . 854 . 1 1 4 CYS CB C 5.466 3.174 5.624 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 13 . 855 . 1 1 4 CYS H H 4.631 3.685 3.190 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 13 . 856 . 1 1 4 CYS HA H 3.665 2.196 5.021 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 13 . 857 . 1 1 4 CYS HB2 H 5.949 4.107 5.394 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 13 . 858 . 1 1 4 CYS HB3 H 5.475 3.033 6.695 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 13 . 859 . 1 1 4 CYS N N 3.942 3.874 3.859 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 13 . 860 . 1 1 4 CYS O O 1.942 3.615 6.290 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 13 . 861 . 1 1 4 CYS SG S 6.369 1.798 4.840 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 13 . 862 . 1 1 5 LYS C C 1.741 6.250 7.325 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 13 . 863 . 1 1 5 LYS CA C 2.946 5.557 7.954 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 13 . 864 . 1 1 5 LYS CB C 3.834 6.599 8.640 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 13 . 865 . 1 1 5 LYS CD C 5.249 4.688 9.413 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 13 . 866 . 1 1 5 LYS CE C 6.674 4.134 9.473 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 13 . 867 . 1 1 5 LYS CG C 5.263 6.066 8.747 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 13 . 868 . 1 1 5 LYS H H 4.655 5.044 6.824 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 13 . 869 . 1 1 5 LYS HA H 2.598 4.854 8.696 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 13 . 870 . 1 1 5 LYS HB2 H 3.831 7.511 8.061 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 13 . 871 . 1 1 5 LYS HB3 H 3.451 6.799 9.629 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 13 . 872 . 1 1 5 LYS HD2 H 4.854 4.777 10.415 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 13 . 873 . 1 1 5 LYS HD3 H 4.628 4.018 8.839 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 13 . 874 . 1 1 5 LYS HE2 H 6.671 3.103 9.151 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 13 . 875 . 1 1 5 LYS HE3 H 7.312 4.713 8.823 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 13 . 876 . 1 1 5 LYS HG2 H 5.694 5.986 7.759 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 13 . 877 . 1 1 5 LYS HG3 H 5.857 6.745 9.343 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 13 . 878 . 1 1 5 LYS HZ1 H 8.209 4.066 10.877 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 13 . 879 . 1 1 5 LYS HZ2 H 6.719 3.486 11.451 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 13 . 880 . 1 1 5 LYS HZ3 H 6.968 5.156 11.263 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 13 . 881 . 1 1 5 LYS N N 3.710 4.839 6.941 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 13 . 882 . 1 1 5 LYS NZ N 7.181 4.217 10.871 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 13 . 883 . 1 1 5 LYS O O 0.706 6.296 7.970 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 13 . 884 . 1 1 5 LYS OXT O 1.872 6.724 6.208 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 14 . 885 . 1 1 1 . C C 7.306 4.252 1.674 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 14 . 886 . 1 1 1 . CA C 6.931 3.872 3.104 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 14 . 887 . 1 1 1 . CB C 6.609 2.378 3.167 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 14 . 888 . 1 1 1 . CG C 5.370 2.106 2.308 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 14 . 889 . 1 1 1 . H H 8.789 4.692 3.490 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 14 . 890 . 1 1 1 . H1 H 8.434 3.306 4.407 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 14 . 891 . 1 1 1 . HA H 6.083 4.427 3.392 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 14 . 892 . 1 1 1 . HB2 H 7.451 1.831 2.761 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 14 . 893 . 1 1 1 . HG1 H 5.149 2.979 1.707 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 14 . 894 . 1 1 1 . HG2 H 4.529 1.885 2.946 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 14 . 895 . 1 1 1 . HG3 H 5.561 1.265 1.659 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 14 . 896 . 1 1 1 . HT3 H 7.703 4.792 4.788 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 14 . 897 . 1 1 1 . N N 8.051 4.188 4.017 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 14 . 898 . 1 1 1 . O O 7.738 3.398 0.901 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 14 . 899 . 1 1 2 PRO C C 5.166 6.372 2.589 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 14 . 900 . 1 1 2 PRO CA C 6.618 6.598 2.180 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 14 . 901 . 1 1 2 PRO CB C 6.747 7.869 1.327 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 14 . 902 . 1 1 2 PRO CD C 7.428 5.997 -0.050 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 14 . 903 . 1 1 2 PRO CG C 7.599 7.499 0.157 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 14 . 904 . 1 1 2 PRO HA H 7.238 6.692 3.056 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 14 . 905 . 1 1 2 PRO HB2 H 5.770 8.191 0.992 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 14 . 906 . 1 1 2 PRO HB3 H 7.224 8.652 1.896 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 14 . 907 . 1 1 2 PRO HD2 H 6.599 5.795 -0.716 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 14 . 908 . 1 1 2 PRO HD3 H 8.337 5.553 -0.421 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 14 . 909 . 1 1 2 PRO HG2 H 7.273 8.037 -0.723 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 14 . 910 . 1 1 2 PRO HG3 H 8.634 7.720 0.366 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 14 . 911 . 1 1 2 PRO N N 7.139 5.501 1.294 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 14 . 912 . 1 1 2 PRO O O 4.714 6.861 3.624 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 14 . 913 . 1 1 3 GLY C C 2.966 4.718 3.481 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 14 . 914 . 1 1 3 GLY CA C 3.075 5.270 2.073 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 14 . 915 . 1 1 3 GLY H H 4.875 5.223 0.991 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 14 . 916 . 1 1 3 GLY HA2 H 2.457 6.152 1.973 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 14 . 917 . 1 1 3 GLY HA3 H 2.750 4.516 1.380 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 14 . 918 . 1 1 3 GLY N N 4.455 5.598 1.783 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 14 . 919 . 1 1 3 GLY O O 2.042 5.046 4.224 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 14 . 920 . 1 1 4 CYS C C 3.105 4.011 6.141 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 14 . 921 . 1 1 4 CYS CA C 3.972 3.241 5.136 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 14 . 922 . 1 1 4 CYS CB C 5.425 3.190 5.632 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 14 . 923 . 1 1 4 CYS H H 4.616 3.641 3.166 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 14 . 924 . 1 1 4 CYS HA H 3.601 2.236 5.051 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 14 . 925 . 1 1 4 CYS HB2 H 5.927 4.111 5.398 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 14 . 926 . 1 1 4 CYS HB3 H 5.421 3.061 6.705 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 14 . 927 . 1 1 4 CYS N N 3.927 3.867 3.824 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 14 . 928 . 1 1 4 CYS O O 1.879 3.901 6.113 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 14 . 929 . 1 1 4 CYS SG S 6.312 1.787 4.874 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 14 . 930 . 1 1 5 LYS C C 2.175 6.657 7.348 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 14 . 931 . 1 1 5 LYS CA C 2.979 5.549 8.021 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 14 . 932 . 1 1 5 LYS CB C 3.935 6.163 9.048 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 14 . 933 . 1 1 5 LYS CD C 6.294 5.481 8.585 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 14 . 934 . 1 1 5 LYS CE C 7.490 5.723 7.663 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 14 . 935 . 1 1 5 LYS CG C 5.240 6.566 8.357 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 14 . 936 . 1 1 5 LYS H H 4.703 4.843 7.023 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 14 . 937 . 1 1 5 LYS HA H 2.299 4.885 8.532 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 14 . 938 . 1 1 5 LYS HB2 H 3.475 7.036 9.489 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 14 . 939 . 1 1 5 LYS HB3 H 4.148 5.438 9.819 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 14 . 940 . 1 1 5 LYS HD2 H 6.622 5.509 9.615 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 14 . 941 . 1 1 5 LYS HD3 H 5.867 4.514 8.370 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 14 . 942 . 1 1 5 LYS HE2 H 7.189 6.361 6.843 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 14 . 943 . 1 1 5 LYS HE3 H 8.283 6.201 8.218 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 14 . 944 . 1 1 5 LYS HG2 H 5.065 6.683 7.297 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 14 . 945 . 1 1 5 LYS HG3 H 5.591 7.500 8.769 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 14 . 946 . 1 1 5 LYS HZ1 H 8.965 4.513 6.828 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 14 . 947 . 1 1 5 LYS HZ2 H 7.389 4.142 6.311 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 14 . 948 . 1 1 5 LYS HZ3 H 7.904 3.692 7.866 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 14 . 949 . 1 1 5 LYS N N 3.730 4.784 7.030 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 14 . 950 . 1 1 5 LYS NZ N 7.973 4.419 7.126 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 14 . 951 . 1 1 5 LYS O O 0.961 6.542 7.311 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 14 . 952 . 1 1 5 LYS OXT O 2.786 7.605 6.882 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 1
. 15 . 953 . 1 1 1 . C C 7.268 4.261 1.644 . . . 1.0 . . . . . . . . . . . . A . 1 DBB C . . . . . . . . . rr_6qys 1
. 15 . 954 . 1 1 1 . CA C 6.944 3.883 3.086 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CA . . . . . . . . . rr_6qys 1
. 15 . 955 . 1 1 1 . CB C 6.621 2.390 3.157 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CB . . . . . . . . . rr_6qys 1
. 15 . 956 . 1 1 1 . CG C 5.378 2.118 2.301 . . . 1.0 . . . . . . . . . . . . A . 1 DBB CG . . . . . . . . . rr_6qys 1
. 15 . 957 . 1 1 1 . H H 8.039 3.620 4.820 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H . . . . . . . . . rr_6qys 1
. 15 . 958 . 1 1 1 . H1 H 8.052 5.210 4.218 . . . 1.0 . . . . . . . . . . . . A . 1 DBB H1 . . . . . . . . . rr_6qys 1
. 15 . 959 . 1 1 1 . HA H 6.104 4.439 3.400 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HA . . . . . . . . . rr_6qys 1
. 15 . 960 . 1 1 1 . HB2 H 7.461 1.842 2.747 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HB2 . . . . . . . . . rr_6qys 1
. 15 . 961 . 1 1 1 . HG1 H 5.570 1.282 1.645 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG1 . . . . . . . . . rr_6qys 1
. 15 . 962 . 1 1 1 . HG2 H 5.151 2.992 1.705 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG2 . . . . . . . . . rr_6qys 1
. 15 . 963 . 1 1 1 . HG3 H 4.541 1.890 2.940 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HG3 . . . . . . . . . rr_6qys 1
. 15 . 964 . 1 1 1 . HT3 H 8.974 4.002 3.458 . . . 1.0 . . . . . . . . . . . . A . 1 DBB HT3 . . . . . . . . . rr_6qys 1
. 15 . 965 . 1 1 1 . N N 8.090 4.201 3.962 . . . 1.0 . . . . . . . . . . . . A . 1 DBB N . . . . . . . . . rr_6qys 1
. 15 . 966 . 1 1 1 . O O 7.662 3.407 0.850 . . . 1.0 . . . . . . . . . . . . A . 1 DBB O . . . . . . . . . rr_6qys 1
. 15 . 967 . 1 1 2 PRO C C 5.153 6.387 2.602 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qys 1
. 15 . 968 . 1 1 2 PRO CA C 6.608 6.589 2.200 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qys 1
. 15 . 969 . 1 1 2 PRO CB C 6.783 7.871 1.387 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qys 1
. 15 . 970 . 1 1 2 PRO CD C 7.301 6.010 -0.082 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qys 1
. 15 . 971 . 1 1 2 PRO CG C 6.767 7.443 -0.043 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qys 1
. 15 . 972 . 1 1 2 PRO HA H 7.233 6.631 3.077 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qys 1
. 15 . 973 . 1 1 2 PRO HB2 H 5.969 8.554 1.586 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qys 1
. 15 . 974 . 1 1 2 PRO HB3 H 7.728 8.336 1.621 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qys 1
. 15 . 975 . 1 1 2 PRO HD2 H 6.742 5.416 -0.794 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qys 1
. 15 . 976 . 1 1 2 PRO HD3 H 8.352 5.998 -0.318 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qys 1
. 15 . 977 . 1 1 2 PRO HG2 H 5.755 7.474 -0.425 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qys 1
. 15 . 978 . 1 1 2 PRO HG3 H 7.405 8.084 -0.630 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qys 1
. 15 . 979 . 1 1 2 PRO N N 7.085 5.508 1.278 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qys 1
. 15 . 980 . 1 1 2 PRO O O 4.697 6.900 3.623 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qys 1
. 15 . 981 . 1 1 3 GLY C C 2.959 4.712 3.487 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qys 1
. 15 . 982 . 1 1 3 GLY CA C 3.067 5.276 2.086 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qys 1
. 15 . 983 . 1 1 3 GLY H H 4.879 5.201 1.029 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qys 1
. 15 . 984 . 1 1 3 GLY HA2 H 2.455 6.162 1.993 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qys 1
. 15 . 985 . 1 1 3 GLY HA3 H 2.742 4.531 1.386 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qys 1
. 15 . 986 . 1 1 3 GLY N N 4.450 5.597 1.806 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qys 1
. 15 . 987 . 1 1 3 GLY O O 2.030 5.023 4.232 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qys 1
. 15 . 988 . 1 1 4 CYS C C 3.112 3.993 6.139 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qys 1
. 15 . 989 . 1 1 4 CYS CA C 3.984 3.237 5.131 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qys 1
. 15 . 990 . 1 1 4 CYS CB C 5.437 3.197 5.627 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qys 1
. 15 . 991 . 1 1 4 CYS H H 4.626 3.660 3.166 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qys 1
. 15 . 992 . 1 1 4 CYS HA H 3.621 2.232 5.042 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qys 1
. 15 . 993 . 1 1 4 CYS HB2 H 5.931 4.124 5.397 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qys 1
. 15 . 994 . 1 1 4 CYS HB3 H 5.432 3.065 6.700 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qys 1
. 15 . 995 . 1 1 4 CYS N N 3.932 3.871 3.825 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qys 1
. 15 . 996 . 1 1 4 CYS O O 1.890 3.849 6.133 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qys 1
. 15 . 997 . 1 1 4 CYS SG S 6.336 1.803 4.867 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qys 1
. 15 . 998 . 1 1 5 LYS C C 1.587 5.882 7.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qys 1
. 15 . 999 . 1 1 5 LYS CA C 2.985 5.556 7.992 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qys 1
. 15 . 1000 . 1 1 5 LYS CB C 3.727 6.852 8.317 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qys 1
. 15 . 1001 . 1 1 5 LYS CD C 5.818 6.652 6.963 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qys 1
. 15 . 1002 . 1 1 5 LYS CE C 6.425 8.036 6.731 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qys 1
. 15 . 1003 . 1 1 5 LYS CG C 5.231 6.579 8.374 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qys 1
. 15 . 1004 . 1 1 5 LYS H H 4.704 4.882 6.969 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qys 1
. 15 . 1005 . 1 1 5 LYS HA H 2.899 4.968 8.893 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qys 1
. 15 . 1006 . 1 1 5 LYS HB2 H 3.521 7.587 7.552 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qys 1
. 15 . 1007 . 1 1 5 LYS HB3 H 3.394 7.224 9.272 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qys 1
. 15 . 1008 . 1 1 5 LYS HD2 H 6.585 5.898 6.853 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qys 1
. 15 . 1009 . 1 1 5 LYS HD3 H 5.036 6.478 6.239 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qys 1
. 15 . 1010 . 1 1 5 LYS HE2 H 6.408 8.264 5.676 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qys 1
. 15 . 1011 . 1 1 5 LYS HE3 H 5.850 8.776 7.268 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qys 1
. 15 . 1012 . 1 1 5 LYS HG2 H 5.707 7.317 9.003 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qys 1
. 15 . 1013 . 1 1 5 LYS HG3 H 5.402 5.594 8.783 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qys 1
. 15 . 1014 . 1 1 5 LYS HZ1 H 8.163 9.034 7.298 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qys 1
. 15 . 1015 . 1 1 5 LYS HZ2 H 8.438 7.536 6.547 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qys 1
. 15 . 1016 . 1 1 5 LYS HZ3 H 7.884 7.595 8.152 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qys 1
. 15 . 1017 . 1 1 5 LYS N N 3.733 4.796 6.999 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qys 1
. 15 . 1018 . 1 1 5 LYS NZ N 7.834 8.051 7.219 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qys 1
. 15 . 1019 . 1 1 5 LYS O O 0.701 5.066 7.668 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qys 1
. 15 . 1020 . 1 1 5 LYS OXT O 1.423 6.945 6.900 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qys 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_6qys
_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 6qys.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qys 1
1 6qys.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qys 1
1 6qys.mr . . XPLOR/CNS 3 distance NOE ambi 25 rr_6qys 1
1 6qys.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qys 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_6qys
_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: '6qys'" . . . . distance "general distance" . 12 rr_6qys 1
2 "From CCPN project: '6qys'" . . . . "dihedral angle" "Not applicable" . 2 rr_6qys 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 6qys.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qys 1
1 6qys.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qys 1
1 6qys.mr . . XPLOR/CNS 3 distance NOE ambi 25 rr_6qys 1
1 6qys.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qys 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_6qys
_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_6qys 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 2 2 PRO HB3 H . . . 1 1 5 5 LYS H H . . . . . 3.6 1.8 5.0 . . . . . A . 2 PRO HB3 . . A . 5 LYS H . . . 2 . HB1 . . . . . 5 . HN . . rr_6qys 1
1 2 OR . 1 1 2 2 PRO HB3 H . . . 1 1 3 3 GLY H H . . . . . 3.6 1.8 5.0 . . . . . A . 2 PRO HB3 . . A . 3 GLY H . . . 2 . HB1 . . . . . 3 . HN . . rr_6qys 1
2 1 OR . 1 1 5 5 LYS H H . . . 1 1 2 2 PRO HB2 H . . . . . 3.6 1.8 5.0 . . . . . A . 5 LYS H . . A . 2 PRO HB2 . . . 5 . HN . . . . . 2 . HB2 . . rr_6qys 1
2 2 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 PRO HB2 H . . . . . 3.6 1.8 5.0 . . . . . A . 3 GLY H . . A . 2 PRO HB2 . . . 3 . HN . . . . . 2 . HB2 . . rr_6qys 1
3 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS H H . . . . . 2.9 1.8 3.6 . . . . . A . 5 LYS H . . A . 4 CYS H . . . 5 . HN . . . . . 4 . HN . . rr_6qys 1
3 2 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS H H . . . . . 2.9 1.8 3.6 . . . . . A . 3 GLY H . . A . 4 CYS H . . . 3 . HN . . . . . 4 . HN . . rr_6qys 1
4 1 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS HB3 H . . . . . 2.9 1.8 3.6 . . . . . A . 3 GLY H . . A . 4 CYS HB3 . . . 3 . HN . . . . . 4 . HB# . . rr_6qys 1
4 2 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 2.9 1.8 3.6 . . . . . A . 5 LYS H . . A . 4 CYS HB3 . . . 5 . HN . . . . . 4 . HB# . . rr_6qys 1
4 3 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 2.9 1.8 3.6 . . . . . A . 5 LYS H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB# . . rr_6qys 1
4 4 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS HB2 H . . . . . 2.9 1.8 3.6 . . . . . A . 3 GLY H . . A . 4 CYS HB2 . . . 3 . HN . . . . . 4 . HB# . . rr_6qys 1
5 1 OR . 1 1 5 5 LYS H H . . . 1 1 2 2 PRO HA H . . . . . 2.3 1.8 3.2 . . . . . A . 5 LYS H . . A . 2 PRO HA . . . 5 . HN . . . . . 2 . HA . . rr_6qys 1
5 2 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 PRO HA H . . . . . 2.3 1.8 3.2 . . . . . A . 3 GLY H . . A . 2 PRO HA . . . 3 . HN . . . . . 2 . HA . . rr_6qys 1
6 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HA H . . . . . 2.3 1.8 3.1 . . . . . A . 5 LYS H . . A . 4 CYS HA . . . 5 . HN . . . . . 4 . HA . . rr_6qys 1
6 2 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS HA H . . . . . 2.3 1.8 3.1 . . . . . A . 3 GLY H . . A . 4 CYS HA . . . 3 . HN . . . . . 4 . HA . . rr_6qys 1
7 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 GLY HA2 H . . . . . 3.6 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 GLY HA2 . . . 4 . HN . . . . . 3 . HA2 . . rr_6qys 1
8 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 GLY HA3 H . . . . . 3.6 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 GLY HA3 . . . 4 . HN . . . . . 3 . HA1 . . rr_6qys 1
9 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS HG2 H . . . . . 3.6 1.8 6.4 . . . . . A . 4 CYS HA . . A . 5 LYS HG2 . . . 4 . HA . . . . . 5 . HG# . . rr_6qys 1
9 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS HG3 H . . . . . 3.6 1.8 6.4 . . . . . A . 4 CYS HA . . A . 5 LYS HG3 . . . 4 . HA . . . . . 5 . HG# . . rr_6qys 1
10 1 . . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS HB3 H . . . . . 3.6 1.8 6.5 . . . . . A . 4 CYS HA . . A . 5 LYS HB3 . . . 4 . HA . . . . . 5 . HB1 . . rr_6qys 1
11 1 . . 1 1 4 4 CYS HA H . . . 1 1 3 3 GLY HA3 H . . . . . 3.6 1.8 5.0 . . . . . A . 4 CYS HA . . A . 3 GLY HA3 . . . 4 . HA . . . . . 3 . HA1 . . rr_6qys 1
12 1 . . 1 1 4 4 CYS H H . . . 1 1 2 2 PRO HA H . . . . . 3.6 1.8 5.0 . . . . . A . 4 CYS H . . A . 2 PRO HA . . . 4 . HN . . . . . 2 . HA . . rr_6qys 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Restraints file 2: noe_NisB_v2.tbl" 1 1 1 36 rr_6qys 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
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qys 1
2
;Interresidue
i-i+1
;
6 1 7 7 rr_6qys 1
3 i-i+2 23 1 23 7 rr_6qys 1
4 i-i+3 27 1 27 7 rr_6qys 1
5 i-i+4 32 1 32 7 rr_6qys 1
6
;echo=true
wrnlev=5
;
36 1 38 16 rr_6qys 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
2 3 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
3 3 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
4 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .1.HB1' (nmrStar names) not linked" rr_6qys 1
5 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
6 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
7 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
8 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
9 3 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
10 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
11 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
12 3 22 1 "Not handling restraint 22, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
13 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
14 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
15 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
16 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
17 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
18 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 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_6qys
_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_6qys 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_6qys 1
1 2 . 3 . rr_6qys 1
1 3 . . . rr_6qys 1
2 1 2 . OR rr_6qys 1
2 2 . 3 . rr_6qys 1
2 3 . . . rr_6qys 1
3 1 2 . OR rr_6qys 1
3 2 . 3 . rr_6qys 1
3 3 . . . rr_6qys 1
4 1 2 . OR rr_6qys 1
4 2 . 3 . rr_6qys 1
4 3 . 4 . rr_6qys 1
4 4 . 5 . rr_6qys 1
4 5 . . . rr_6qys 1
5 1 2 . OR rr_6qys 1
5 2 . 3 . rr_6qys 1
5 3 . . . rr_6qys 1
6 1 2 . OR rr_6qys 1
6 2 . 3 . rr_6qys 1
6 3 . . . rr_6qys 1
7 1 . . . rr_6qys 1
8 1 . . . rr_6qys 1
9 1 2 . OR rr_6qys 1
9 2 . 3 . rr_6qys 1
9 3 . . . rr_6qys 1
10 1 . . . rr_6qys 1
11 1 . . . rr_6qys 1
12 1 . . . rr_6qys 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 . HB1 rr_6qys 1
1 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
1 3 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 . HB1 rr_6qys 1
1 3 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
2 2 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 . HB2 rr_6qys 1
2 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
2 3 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 . HB2 rr_6qys 1
2 3 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
3 2 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qys 1
3 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
3 3 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qys 1
3 3 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
4 2 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
4 2 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB# rr_6qys 1
4 3 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
4 3 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB# rr_6qys 1
4 4 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
4 4 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 . HB# rr_6qys 1
4 5 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
4 5 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 . HB# rr_6qys 1
5 2 . 1 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qys 1
5 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
5 3 . 1 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qys 1
5 3 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
6 2 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qys 1
6 2 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
6 3 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qys 1
6 3 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
7 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qys 1
7 1 . 2 . 1 1 3 3 GLY HA2 H . . . . 3 . HA2 rr_6qys 1
8 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qys 1
8 1 . 2 . 1 1 3 3 GLY HA3 H . . . . 3 . HA1 rr_6qys 1
9 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_6qys 1
9 2 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
9 3 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_6qys 1
9 3 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
10 1 . 1 . 1 1 5 5 LYS HB3 H . . . . 5 . HB1 rr_6qys 1
10 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
11 1 . 1 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qys 1
11 1 . 2 . 1 1 3 3 GLY HA3 H . . . . 3 . HA1 rr_6qys 1
12 1 . 1 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qys 1
12 1 . 2 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qys 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 3.6 1.8 5.0 rr_6qys 1
1 3 . . . . . . 3.6 1.8 5.0 rr_6qys 1
2 2 . . . . . . 3.6 1.8 5.0 rr_6qys 1
2 3 . . . . . . 3.6 1.8 5.0 rr_6qys 1
3 2 . . . . . . 2.9 1.8 3.6 rr_6qys 1
3 3 . . . . . . 2.9 1.8 3.6 rr_6qys 1
4 2 . . . . . . 2.9 1.8 3.6 rr_6qys 1
4 3 . . . . . . 2.9 1.8 3.6 rr_6qys 1
4 4 . . . . . . 2.9 1.8 3.6 rr_6qys 1
4 5 . . . . . . 2.9 1.8 3.6 rr_6qys 1
5 2 . . . . . . 2.3 1.8 3.2 rr_6qys 1
5 3 . . . . . . 2.3 1.8 3.2 rr_6qys 1
6 2 . . . . . . 2.3 1.8 3.1 rr_6qys 1
6 3 . . . . . . 2.3 1.8 3.1 rr_6qys 1
7 1 . . . . . . 3.6 1.8 5.0 rr_6qys 1
8 1 . . . . . . 3.6 1.8 5.0 rr_6qys 1
9 2 . . . . . . 3.6 1.8 6.4 rr_6qys 1
9 3 . . . . . . 3.6 1.8 6.4 rr_6qys 1
10 1 . . . . . . 3.6 1.8 6.5 rr_6qys 1
11 1 . . . . . . 3.6 1.8 5.0 rr_6qys 1
12 1 . . . . . . 3.6 1.8 5.0 rr_6qys 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 2: noe_NisB_v2.tbl" 1 1 1 36 rr_6qys 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
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qys 1
2
;Interresidue
i-i+1
;
6 1 7 7 rr_6qys 1
3 i-i+2 23 1 23 7 rr_6qys 1
4 i-i+3 27 1 27 7 rr_6qys 1
5 i-i+4 32 1 32 7 rr_6qys 1
6
;echo=true
wrnlev=5
;
36 1 38 16 rr_6qys 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
2 3 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
3 3 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
4 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .1.HB1' (nmrStar names) not linked" rr_6qys 1
5 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
6 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
7 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
8 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
9 3 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
10 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" rr_6qys 1
11 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
12 3 22 1 "Not handling restraint 22, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
13 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
14 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .1.HG#' (nmrStar names) not linked" rr_6qys 1
15 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
16 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
17 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
18 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .1.HT#' (nmrStar names) not linked" rr_6qys 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_6qys
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qys 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 2 2 PRO C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . -134.3 -14.3 . . . A . 2 PRO C . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6qys 1
2 . . 1 1 3 3 GLY C C . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . -142.2 -22.2 . . . A . 3 GLY C . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6qys 1
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_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: dihe_1.tbl" 1 1 1 31 rr_6qys 1
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_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;phi
predictions
;
3 1 4 13 rr_6qys 1
2 calc 7 1 7 6 rr_6qys 1
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loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 2 1 1 "Not handling restraint 1, resonance(s) ' .1.C' (nmrStar names) not linked" rr_6qys 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_6qys
_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 ANTIBIOTIC 09-MAR-19 6QYS *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - NISIN RING B *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DBB-PRO-GLY-CYS-LYS; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; *SOURCE 4 ORGANISM_TAXID: 1358 *KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, *KEYWDS 2 THIOESTER, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR *REVDAT 1 11-SEP-19 6QYS 0"
save_
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