NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641857 |
6qm1   |
34360 | cing | 3-converted-DOCR | STAR | entry | full | 18 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qm1
# This DOCR archive file contains, for PDB entry <6qm1>:
#
# - 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_6qm1
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qm1"
_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 6qm1"
_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 6qm1 "Master copy" rr_6qm1
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qm1
_Assembly.ID 1
_Assembly.Name 6qm1
_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 474.5742
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 "DAL PRO GLY CYS LYS" 1 $DAL_PRO_GLY_CYS_LYS A . no . . . . . . rr_6qm1 1
stop_
save_
save_DAL_PRO_GLY_CYS_LYS
_Entity.Sf_category entity
_Entity.Sf_framecode DAL_PRO_GLY_CYS_LYS
_Entity.Entry_ID rr_6qm1
_Entity.ID 1
_Entity.Name DAL_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 474.5742
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 . DAL . rr_6qm1 1
2 . PRO . rr_6qm1 1
3 . GLY . rr_6qm1 1
4 . CYS . rr_6qm1 1
5 . LYS . rr_6qm1 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
. DAL 1 1 rr_6qm1 1
. PRO 2 2 rr_6qm1 1
. GLY 3 3 rr_6qm1 1
. CYS 4 4 rr_6qm1 1
. LYS 5 5 rr_6qm1 1
stop_
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_6qm1
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide NH3 amino terminus"
_Chem_comp.PDB_code DAL
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H7 N O"
_Chem_comp.Formula_weight 73.0944
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-alanine name rr_6qm1 DAL
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6qm1
_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_6qm1
_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_6qm1 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_6qm1 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 DAL C C 9.242 3.118 5.722 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 1 . 2 . 1 1 1 DAL CA C 9.334 4.149 4.596 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 1 . 3 . 1 1 1 DAL CB C 9.994 5.430 5.108 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 1 . 4 . 1 1 1 DAL H2 H 10.456 2.624 3.729 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 1 . 5 . 1 1 1 DAL H3 H 10.981 4.188 3.324 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 1 . 6 . 1 1 1 DAL HA H 8.345 4.378 4.234 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 1 . 7 . 1 1 1 DAL HB1 H 10.294 6.041 4.270 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 1 . 8 . 1 1 1 DAL HB2 H 10.863 5.176 5.697 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 1 . 9 . 1 1 1 DAL N N 10.148 3.587 3.482 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 1 . 10 . 1 1 1 DAL O O 10.072 3.107 6.630 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 1 . 11 . 1 1 2 PRO C C 6.111 3.232 4.854 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 1 . 12 . 1 1 2 PRO CA C 7.240 2.243 4.588 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 1 . 13 . 1 1 2 PRO CB C 6.740 0.801 4.605 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 1 . 14 . 1 1 2 PRO CD C 8.012 1.184 6.650 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 1 . 15 . 1 1 2 PRO CG C 6.874 0.360 6.028 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 1 . 16 . 1 1 2 PRO HA H 7.699 2.456 3.640 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 1 . 17 . 1 1 2 PRO HB2 H 5.706 0.757 4.287 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 1 . 18 . 1 1 2 PRO HB3 H 7.355 0.183 3.968 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 1 . 19 . 1 1 2 PRO HD2 H 7.702 1.598 7.599 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 1 . 20 . 1 1 2 PRO HD3 H 8.897 0.578 6.770 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 1 . 21 . 1 1 2 PRO HG2 H 5.949 0.543 6.559 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 1 . 22 . 1 1 2 PRO HG3 H 7.123 -0.688 6.068 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 1 . 23 . 1 1 2 PRO N N 8.259 2.256 5.672 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 1 . 24 . 1 1 2 PRO O O 5.751 4.016 3.977 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 1 . 25 . 1 1 3 GLY C C 4.762 5.471 5.709 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 1 . 26 . 1 1 3 GLY CA C 4.495 4.138 6.402 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 1 . 27 . 1 1 3 GLY H H 5.891 2.577 6.741 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 1 . 28 . 1 1 3 GLY HA2 H 3.539 3.731 6.071 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 1 . 29 . 1 1 3 GLY HA3 H 4.471 4.290 7.471 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 1 . 30 . 1 1 3 GLY N N 5.564 3.209 6.067 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 1 . 31 . 1 1 3 GLY O O 3.867 6.060 5.103 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 1 . 32 . 1 1 4 CYS C C 5.566 7.425 3.903 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 1 . 33 . 1 1 4 CYS CA C 6.400 7.186 5.158 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 1 . 34 . 1 1 4 CYS CB C 7.887 7.141 4.792 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 1 . 35 . 1 1 4 CYS H H 6.695 5.425 6.282 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 1 . 36 . 1 1 4 CYS HA H 6.235 7.992 5.849 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 1 . 37 . 1 1 4 CYS HB2 H 8.018 6.575 3.881 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 1 . 38 . 1 1 4 CYS HB3 H 8.252 8.147 4.646 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 1 . 39 . 1 1 4 CYS N N 6.015 5.936 5.792 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 1 . 40 . 1 1 4 CYS O O 5.306 6.501 3.134 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 1 . 41 . 1 1 4 CYS SG S 8.816 6.350 6.134 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 1 . 42 . 1 1 5 LYS C C 4.967 10.168 1.773 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 1 . 43 . 1 1 5 LYS CA C 4.336 9.012 2.543 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 1 . 44 . 1 1 5 LYS CB C 2.927 9.402 2.989 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 1 . 45 . 1 1 5 LYS CD C 1.657 11.106 4.309 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 1 . 46 . 1 1 5 LYS CE C 2.003 11.705 5.674 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 1 . 47 . 1 1 5 LYS CG C 2.946 10.831 3.532 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 1 . 48 . 1 1 5 LYS H H 5.378 9.365 4.354 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 1 . 49 . 1 1 5 LYS HA H 4.272 8.152 1.894 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 1 . 50 . 1 1 5 LYS HB2 H 2.253 9.344 2.146 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 1 . 51 . 1 1 5 LYS HB3 H 2.596 8.728 3.763 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 1 . 52 . 1 1 5 LYS HD2 H 1.045 11.803 3.754 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 1 . 53 . 1 1 5 LYS HD3 H 1.115 10.184 4.450 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 1 . 54 . 1 1 5 LYS HE2 H 1.121 11.712 6.298 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 1 . 55 . 1 1 5 LYS HE3 H 2.772 11.111 6.143 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 1 . 56 . 1 1 5 LYS HG2 H 3.796 10.954 4.188 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 1 . 57 . 1 1 5 LYS HG3 H 3.023 11.527 2.710 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 1 . 58 . 1 1 5 LYS HZ1 H 2.283 13.656 6.346 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 1 . 59 . 1 1 5 LYS HZ2 H 2.020 13.530 4.672 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 1 . 60 . 1 1 5 LYS HZ3 H 3.521 13.088 5.335 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 1 . 61 . 1 1 5 LYS N N 5.145 8.668 3.706 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 1 . 62 . 1 1 5 LYS NZ N 2.494 13.100 5.492 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 1 . 63 . 1 1 5 LYS O O 4.299 10.712 0.910 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 1 . 64 . 1 1 5 LYS OXT O 6.107 10.491 2.061 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 2 . 65 . 1 1 1 DAL C C 9.167 3.036 5.829 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 2 . 66 . 1 1 1 DAL CA C 9.369 4.076 4.729 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 2 . 67 . 1 1 1 DAL CB C 10.082 5.306 5.294 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 2 . 68 . 1 1 1 DAL H2 H 10.013 3.999 2.750 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 2 . 69 . 1 1 1 DAL H3 H 9.947 2.485 3.517 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 2 . 70 . 1 1 1 DAL HA H 8.411 4.372 4.330 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 2 . 71 . 1 1 1 DAL HB1 H 10.478 5.897 4.482 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 2 . 72 . 1 1 1 DAL HB2 H 10.892 4.988 5.936 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 2 . 73 . 1 1 1 DAL N N 10.196 3.488 3.638 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 2 . 74 . 1 1 1 DAL O O 9.935 2.976 6.789 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 2 . 75 . 1 1 2 PRO C C 6.121 3.309 4.752 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 2 . 76 . 1 1 2 PRO CA C 7.214 2.267 4.550 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 2 . 77 . 1 1 2 PRO CB C 6.645 0.852 4.509 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 2 . 78 . 1 1 2 PRO CD C 7.799 1.143 6.637 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 2 . 79 . 1 1 2 PRO CG C 6.672 0.380 5.928 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 2 . 80 . 1 1 2 PRO HA H 7.748 2.472 3.639 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 2 . 81 . 1 1 2 PRO HB2 H 5.631 0.865 4.130 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 2 . 82 . 1 1 2 PRO HB3 H 7.267 0.213 3.898 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 2 . 83 . 1 1 2 PRO HD2 H 7.444 1.555 7.573 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 2 . 84 . 1 1 2 PRO HD3 H 8.647 0.497 6.804 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 2 . 85 . 1 1 2 PRO HG2 H 5.722 0.592 6.403 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 2 . 86 . 1 1 2 PRO HG3 H 6.874 -0.679 5.962 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 2 . 87 . 1 1 2 PRO N N 8.155 2.217 5.698 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 2 . 88 . 1 1 2 PRO O O 5.853 4.114 3.859 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 2 . 89 . 1 1 3 GLY C C 4.840 5.611 5.542 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 2 . 90 . 1 1 3 GLY CA C 4.460 4.289 6.202 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 2 . 91 . 1 1 3 GLY H H 5.755 2.662 6.618 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 2 . 92 . 1 1 3 GLY HA2 H 3.509 3.933 5.805 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 2 . 93 . 1 1 3 GLY HA3 H 4.374 4.435 7.268 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 2 . 94 . 1 1 3 GLY N N 5.501 3.310 5.929 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 2 . 95 . 1 1 3 GLY O O 4.016 6.252 4.888 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 2 . 96 . 1 1 4 CYS C C 5.867 7.539 3.813 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 2 . 97 . 1 1 4 CYS CA C 6.598 7.241 5.115 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 2 . 98 . 1 1 4 CYS CB C 8.103 7.126 4.848 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 2 . 99 . 1 1 4 CYS H H 6.728 5.458 6.234 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 2 . 100 . 1 1 4 CYS HA H 6.428 8.049 5.804 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 2 . 101 . 1 1 4 CYS HB2 H 8.265 6.549 3.949 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 2 . 102 . 1 1 4 CYS HB3 H 8.523 8.113 4.723 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 2 . 103 . 1 1 4 CYS N N 6.108 6.009 5.708 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 2 . 104 . 1 1 4 CYS O O 6.142 6.928 2.779 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 2 . 105 . 1 1 4 CYS SG S 8.905 6.301 6.249 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 2 . 106 . 1 1 5 LYS C C 4.707 10.143 2.083 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 2 . 107 . 1 1 5 LYS CA C 4.163 8.854 2.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 2 . 108 . 1 1 5 LYS CB C 2.693 9.046 3.069 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 2 . 109 . 1 1 5 LYS CD C 0.447 9.675 2.174 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 2 . 110 . 1 1 5 LYS CE C -0.429 8.444 2.417 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 2 . 111 . 1 1 5 LYS CG C 1.862 9.229 1.799 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 2 . 112 . 1 1 5 LYS H H 4.759 8.931 4.723 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 2 . 113 . 1 1 5 LYS HA H 4.234 8.063 1.961 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 2 . 114 . 1 1 5 LYS HB2 H 2.343 8.177 3.608 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 2 . 115 . 1 1 5 LYS HB3 H 2.591 9.921 3.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 2 . 116 . 1 1 5 LYS HD2 H 0.485 10.274 3.072 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 2 . 117 . 1 1 5 LYS HD3 H 0.028 10.259 1.369 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 2 . 118 . 1 1 5 LYS HE2 H -1.440 8.758 2.629 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 2 . 119 . 1 1 5 LYS HE3 H -0.423 7.818 1.537 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 2 . 120 . 1 1 5 LYS HG2 H 2.323 9.979 1.173 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 2 . 121 . 1 1 5 LYS HG3 H 1.812 8.293 1.263 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 2 . 122 . 1 1 5 LYS HZ1 H 0.671 6.874 3.231 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 2 . 123 . 1 1 5 LYS HZ2 H -0.684 7.322 4.152 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 2 . 124 . 1 1 5 LYS HZ3 H 0.708 8.295 4.155 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 2 . 125 . 1 1 5 LYS N N 4.933 8.480 3.871 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 2 . 126 . 1 1 5 LYS NZ N 0.107 7.676 3.576 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 2 . 127 . 1 1 5 LYS O O 5.058 11.031 2.841 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 2 . 128 . 1 1 5 LYS OXT O 4.764 10.221 0.866 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 3 . 129 . 1 1 1 DAL C C 9.254 3.160 5.750 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 3 . 130 . 1 1 1 DAL CA C 9.336 4.140 4.580 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 3 . 131 . 1 1 1 DAL CB C 9.989 5.446 5.036 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 3 . 132 . 1 1 1 DAL H2 H 10.625 2.682 3.841 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 3 . 133 . 1 1 1 DAL H3 H 10.865 4.223 3.169 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 3 . 134 . 1 1 1 DAL HA H 8.344 4.348 4.212 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 3 . 135 . 1 1 1 DAL HB1 H 10.252 6.038 4.173 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 3 . 136 . 1 1 1 DAL HB2 H 10.881 5.222 5.604 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 3 . 137 . 1 1 1 DAL N N 10.151 3.538 3.488 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 3 . 138 . 1 1 1 DAL O O 10.079 3.200 6.663 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 3 . 139 . 1 1 2 PRO C C 6.122 3.187 4.864 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 3 . 140 . 1 1 2 PRO CA C 7.271 2.209 4.647 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 3 . 141 . 1 1 2 PRO CB C 6.796 0.759 4.719 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 3 . 142 . 1 1 2 PRO CD C 8.042 1.256 6.757 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 3 . 143 . 1 1 2 PRO CG C 6.933 0.377 6.158 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 3 . 144 . 1 1 2 PRO HA H 7.732 2.394 3.694 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 3 . 145 . 1 1 2 PRO HB2 H 5.765 0.685 4.401 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 3 . 146 . 1 1 2 PRO HB3 H 7.425 0.128 4.109 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 3 . 147 . 1 1 2 PRO HD2 H 7.707 1.708 7.680 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 3 . 148 . 1 1 2 PRO HD3 H 8.938 0.676 6.920 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 3 . 149 . 1 1 2 PRO HG2 H 5.999 0.552 6.676 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 3 . 150 . 1 1 2 PRO HG3 H 7.213 -0.661 6.239 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 3 . 151 . 1 1 2 PRO N N 8.281 2.284 5.733 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 3 . 152 . 1 1 2 PRO O O 5.747 3.924 3.952 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 3 . 153 . 1 1 3 GLY C C 4.756 5.462 5.679 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 3 . 154 . 1 1 3 GLY CA C 4.488 4.129 6.373 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 3 . 155 . 1 1 3 GLY H H 5.917 2.615 6.778 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 3 . 156 . 1 1 3 GLY HA2 H 3.546 3.707 6.018 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 3 . 157 . 1 1 3 GLY HA3 H 4.432 4.288 7.439 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 3 . 158 . 1 1 3 GLY N N 5.576 3.210 6.077 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 3 . 159 . 1 1 3 GLY O O 3.857 6.052 5.078 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 3 . 160 . 1 1 4 CYS C C 5.539 7.442 3.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 3 . 161 . 1 1 4 CYS CA C 6.390 7.180 5.128 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 3 . 162 . 1 1 4 CYS CB C 7.870 7.132 4.735 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 3 . 163 . 1 1 4 CYS H H 6.690 5.416 6.247 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 3 . 164 . 1 1 4 CYS HA H 6.244 7.980 5.830 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 3 . 165 . 1 1 4 CYS HB2 H 7.985 6.550 3.834 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 3 . 166 . 1 1 4 CYS HB3 H 8.229 8.136 4.563 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 3 . 167 . 1 1 4 CYS N N 6.008 5.928 5.758 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 3 . 168 . 1 1 4 CYS O O 5.251 6.529 3.117 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 3 . 169 . 1 1 4 CYS SG S 8.827 6.371 6.073 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 3 . 170 . 1 1 5 LYS C C 5.076 8.822 1.259 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 3 . 171 . 1 1 5 LYS CA C 4.320 9.069 2.560 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 3 . 172 . 1 1 5 LYS CB C 3.932 10.546 2.653 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 3 . 173 . 1 1 5 LYS CD C 4.687 11.460 4.853 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 3 . 174 . 1 1 5 LYS CE C 3.934 12.774 5.079 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 3 . 175 . 1 1 5 LYS CG C 5.038 11.322 3.370 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 3 . 176 . 1 1 5 LYS H H 5.398 9.384 4.357 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 3 . 177 . 1 1 5 LYS HA H 3.421 8.473 2.563 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 3 . 178 . 1 1 5 LYS HB2 H 3.797 10.946 1.658 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 3 . 179 . 1 1 5 LYS HB3 H 3.010 10.643 3.207 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 3 . 180 . 1 1 5 LYS HD2 H 4.064 10.631 5.154 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 3 . 181 . 1 1 5 LYS HD3 H 5.593 11.462 5.439 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 3 . 182 . 1 1 5 LYS HE2 H 3.730 12.894 6.132 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 3 . 183 . 1 1 5 LYS HE3 H 4.539 13.599 4.732 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 3 . 184 . 1 1 5 LYS HG2 H 5.973 10.790 3.269 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 3 . 185 . 1 1 5 LYS HG3 H 5.133 12.303 2.931 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 3 . 186 . 1 1 5 LYS HZ1 H 1.978 13.408 4.758 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 3 . 187 . 1 1 5 LYS HZ2 H 2.255 11.784 4.346 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 3 . 188 . 1 1 5 LYS HZ3 H 2.822 13.028 3.337 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 3 . 189 . 1 1 5 LYS N N 5.139 8.698 3.709 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 3 . 190 . 1 1 5 LYS NZ N 2.650 12.747 4.323 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 3 . 191 . 1 1 5 LYS O O 5.571 9.782 0.693 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 3 . 192 . 1 1 5 LYS OXT O 5.150 7.675 0.850 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 4 . 193 . 1 1 1 DAL C C 9.135 2.996 5.803 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 4 . 194 . 1 1 1 DAL CA C 9.372 4.065 4.738 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 4 . 195 . 1 1 1 DAL CB C 10.071 5.276 5.356 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 4 . 196 . 1 1 1 DAL H2 H 10.874 4.240 3.306 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 4 . 197 . 1 1 1 DAL H3 H 9.627 3.168 2.875 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 4 . 198 . 1 1 1 DAL HA H 8.427 4.374 4.320 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 4 . 199 . 1 1 1 DAL HB1 H 10.465 5.904 4.570 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 4 . 200 . 1 1 1 DAL HB2 H 10.881 4.939 5.988 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 4 . 201 . 1 1 1 DAL N N 10.228 3.502 3.656 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 4 . 202 . 1 1 1 DAL O O 9.892 2.892 6.769 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 4 . 203 . 1 1 2 PRO C C 6.103 3.363 4.708 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 4 . 204 . 1 1 2 PRO CA C 7.176 2.304 4.487 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 4 . 205 . 1 1 2 PRO CB C 6.575 0.901 4.407 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 4 . 206 . 1 1 2 PRO CD C 7.722 1.111 6.549 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 4 . 207 . 1 1 2 PRO CG C 6.583 0.392 5.814 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 4 . 208 . 1 1 2 PRO HA H 7.720 2.518 3.586 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 4 . 209 . 1 1 2 PRO HB2 H 5.564 0.947 4.025 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 4 . 210 . 1 1 2 PRO HB3 H 7.186 0.266 3.782 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 4 . 211 . 1 1 2 PRO HD2 H 7.372 1.505 7.493 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 4 . 212 . 1 1 2 PRO HD3 H 8.556 0.443 6.701 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 4 . 213 . 1 1 2 PRO HG2 H 5.636 0.610 6.289 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 4 . 214 . 1 1 2 PRO HG3 H 6.764 -0.672 5.820 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 4 . 215 . 1 1 2 PRO N N 8.107 2.203 5.641 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 4 . 216 . 1 1 2 PRO O O 5.857 4.193 3.835 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 4 . 217 . 1 1 3 GLY C C 4.861 5.675 5.554 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 4 . 218 . 1 1 3 GLY CA C 4.455 4.341 6.176 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 4 . 219 . 1 1 3 GLY H H 5.715 2.678 6.556 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 4 . 220 . 1 1 3 GLY HA2 H 3.498 4.015 5.765 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 4 . 221 . 1 1 3 GLY HA3 H 4.366 4.460 7.245 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 4 . 222 . 1 1 3 GLY N N 5.477 3.349 5.882 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 4 . 223 . 1 1 3 GLY O O 4.053 6.342 4.907 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 4 . 224 . 1 1 4 CYS C C 5.973 7.604 3.855 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 4 . 225 . 1 1 4 CYS CA C 6.645 7.293 5.190 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 4 . 226 . 1 1 4 CYS CB C 8.160 7.186 4.991 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 4 . 227 . 1 1 4 CYS H H 6.738 5.480 6.264 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 4 . 228 . 1 1 4 CYS HA H 6.440 8.091 5.879 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 4 . 229 . 1 1 4 CYS HB2 H 8.364 6.695 4.050 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 4 . 230 . 1 1 4 CYS HB3 H 8.592 8.175 4.982 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 4 . 231 . 1 1 4 CYS N N 6.132 6.051 5.745 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 4 . 232 . 1 1 4 CYS O O 6.434 7.166 2.800 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 4 . 233 . 1 1 4 CYS SG S 8.881 6.221 6.344 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 4 . 234 . 1 1 5 LYS C C 4.294 10.218 2.415 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 4 . 235 . 1 1 5 LYS CA C 4.158 8.724 2.696 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 4 . 236 . 1 1 5 LYS CB C 2.678 8.365 2.846 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 4 . 237 . 1 1 5 LYS CD C 0.763 8.311 4.450 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 4 . 238 . 1 1 5 LYS CE C 0.166 8.976 5.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 4 . 239 . 1 1 5 LYS CG C 2.164 8.870 4.195 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 4 . 240 . 1 1 5 LYS H H 4.561 8.684 4.777 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 4 . 241 . 1 1 5 LYS HA H 4.567 8.173 1.864 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 4 . 242 . 1 1 5 LYS HB2 H 2.113 8.826 2.049 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 4 . 243 . 1 1 5 LYS HB3 H 2.561 7.293 2.798 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 4 . 244 . 1 1 5 LYS HD2 H 0.134 8.512 3.595 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 4 . 245 . 1 1 5 LYS HD3 H 0.824 7.244 4.609 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 4 . 246 . 1 1 5 LYS HE2 H 0.166 8.272 6.511 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 4 . 247 . 1 1 5 LYS HE3 H 0.757 9.839 5.958 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 4 . 248 . 1 1 5 LYS HG2 H 2.831 8.544 4.980 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 4 . 249 . 1 1 5 LYS HG3 H 2.122 9.949 4.184 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 4 . 250 . 1 1 5 LYS HZ1 H -1.315 10.430 5.525 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 4 . 251 . 1 1 5 LYS HZ2 H -1.883 8.921 6.059 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 4 . 252 . 1 1 5 LYS HZ3 H -1.478 9.150 4.424 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 4 . 253 . 1 1 5 LYS N N 4.883 8.362 3.908 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 4 . 254 . 1 1 5 LYS NZ N -1.234 9.401 5.403 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 4 . 255 . 1 1 5 LYS O O 4.741 10.559 1.332 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 4 . 256 . 1 1 5 LYS OXT O 3.949 10.998 3.287 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 5 . 257 . 1 1 1 DAL C C 9.132 2.980 5.714 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 5 . 258 . 1 1 1 DAL CA C 9.324 4.110 4.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 5 . 259 . 1 1 1 DAL CB C 10.009 5.301 5.376 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 5 . 260 . 1 1 1 DAL H2 H 10.996 3.121 3.955 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 5 . 261 . 1 1 1 DAL H3 H 10.487 4.437 3.009 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 5 . 262 . 1 1 1 DAL HA H 8.365 4.421 4.322 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 5 . 263 . 1 1 1 DAL HB1 H 10.380 5.977 4.619 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 5 . 264 . 1 1 1 DAL HB2 H 10.835 4.948 5.978 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 5 . 265 . 1 1 1 DAL N N 10.169 3.626 3.576 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 5 . 266 . 1 1 1 DAL O O 9.917 2.833 6.651 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 5 . 267 . 1 1 2 PRO C C 6.082 3.389 4.712 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 5 . 268 . 1 1 2 PRO CA C 7.143 2.335 4.417 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 5 . 269 . 1 1 2 PRO CB C 6.534 0.941 4.293 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 5 . 270 . 1 1 2 PRO CD C 7.762 1.039 6.395 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 5 . 271 . 1 1 2 PRO CG C 6.584 0.370 5.674 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 5 . 272 . 1 1 2 PRO HA H 7.663 2.588 3.510 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 5 . 273 . 1 1 2 PRO HB2 H 5.512 1.006 3.944 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 5 . 274 . 1 1 2 PRO HB3 H 7.122 0.332 3.621 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 5 . 275 . 1 1 2 PRO HD2 H 7.460 1.376 7.377 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 5 . 276 . 1 1 2 PRO HD3 H 8.597 0.361 6.465 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 5 . 277 . 1 1 2 PRO HG2 H 5.659 0.583 6.193 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 5 . 278 . 1 1 2 PRO HG3 H 6.747 -0.696 5.628 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 5 . 279 . 1 1 2 PRO N N 8.108 2.183 5.538 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 5 . 280 . 1 1 2 PRO O O 5.815 4.254 3.879 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 5 . 281 . 1 1 3 GLY C C 4.859 5.663 5.652 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 5 . 282 . 1 1 3 GLY CA C 4.482 4.315 6.262 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 5 . 283 . 1 1 3 GLY H H 5.744 2.634 6.542 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 5 . 284 . 1 1 3 GLY HA2 H 3.509 3.996 5.885 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 5 . 285 . 1 1 3 GLY HA3 H 4.439 4.411 7.336 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 5 . 286 . 1 1 3 GLY N N 5.491 3.332 5.901 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 5 . 287 . 1 1 3 GLY O O 4.031 6.328 5.029 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 5 . 288 . 1 1 4 CYS C C 6.000 7.571 3.904 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 5 . 289 . 1 1 4 CYS CA C 6.612 7.311 5.278 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 5 . 290 . 1 1 4 CYS CB C 8.139 7.273 5.163 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 5 . 291 . 1 1 4 CYS H H 6.751 5.485 6.326 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 5 . 292 . 1 1 4 CYS HA H 6.334 8.108 5.941 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 5 . 293 . 1 1 4 CYS HB2 H 8.417 6.911 4.183 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 5 . 294 . 1 1 4 CYS HB3 H 8.535 8.267 5.304 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 5 . 295 . 1 1 4 CYS N N 6.128 6.054 5.826 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 5 . 296 . 1 1 4 CYS O O 6.500 7.085 2.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 5 . 297 . 1 1 4 CYS SG S 8.815 6.167 6.429 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 5 . 298 . 1 1 5 LYS C C 5.182 9.415 1.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 5 . 299 . 1 1 5 LYS CA C 4.244 8.656 2.626 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 5 . 300 . 1 1 5 LYS CB C 2.999 9.502 2.898 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 5 . 301 . 1 1 5 LYS CD C 1.256 8.537 1.390 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 5 . 302 . 1 1 5 LYS CE C 0.686 7.144 1.121 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 5 . 303 . 1 1 5 LYS CG C 1.755 8.614 2.835 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 5 . 304 . 1 1 5 LYS H H 4.562 8.699 4.721 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 5 . 305 . 1 1 5 LYS HA H 3.943 7.737 2.147 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 5 . 306 . 1 1 5 LYS HB2 H 3.074 9.948 3.879 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 5 . 307 . 1 1 5 LYS HB3 H 2.922 10.280 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 5 . 308 . 1 1 5 LYS HD2 H 0.484 9.278 1.236 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 5 . 309 . 1 1 5 LYS HD3 H 2.076 8.725 0.715 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 5 . 310 . 1 1 5 LYS HE2 H 0.027 7.183 0.267 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 5 . 311 . 1 1 5 LYS HE3 H 1.495 6.457 0.920 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 5 . 312 . 1 1 5 LYS HG2 H 2.002 7.622 3.184 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 5 . 313 . 1 1 5 LYS HG3 H 0.980 9.034 3.459 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 5 . 314 . 1 1 5 LYS HZ1 H -0.547 5.778 2.098 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 5 . 315 . 1 1 5 LYS HZ2 H -0.791 7.393 2.568 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 5 . 316 . 1 1 5 LYS HZ3 H 0.577 6.544 3.113 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 5 . 317 . 1 1 5 LYS N N 4.916 8.339 3.881 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 5 . 318 . 1 1 5 LYS NZ N -0.076 6.680 2.315 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 5 . 319 . 1 1 5 LYS O O 4.684 10.096 0.811 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 5 . 320 . 1 1 5 LYS OXT O 6.383 9.305 1.874 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 6 . 321 . 1 1 1 DAL C C 9.117 2.983 5.777 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 6 . 322 . 1 1 1 DAL CA C 9.375 4.065 4.728 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 6 . 323 . 1 1 1 DAL CB C 10.056 5.271 5.376 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 6 . 324 . 1 1 1 DAL H2 H 10.368 4.225 2.906 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 6 . 325 . 1 1 1 DAL H3 H 9.833 2.653 3.269 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 6 . 326 . 1 1 1 DAL HA H 8.440 4.377 4.292 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 6 . 327 . 1 1 1 DAL HB1 H 10.432 5.928 4.607 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 6 . 328 . 1 1 1 DAL HB2 H 10.877 4.932 5.993 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 6 . 329 . 1 1 1 DAL N N 10.258 3.516 3.661 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 6 . 330 . 1 1 1 DAL O O 9.869 2.855 6.744 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 6 . 331 . 1 1 2 PRO C C 6.086 3.399 4.684 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 6 . 332 . 1 1 2 PRO CA C 7.147 2.332 4.449 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 6 . 333 . 1 1 2 PRO CB C 6.530 0.938 4.350 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 6 . 334 . 1 1 2 PRO CD C 7.677 1.106 6.495 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 6 . 335 . 1 1 2 PRO CG C 6.523 0.418 5.752 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 6 . 336 . 1 1 2 PRO HA H 7.694 2.551 3.548 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 6 . 337 . 1 1 2 PRO HB2 H 5.523 1.001 3.961 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 6 . 338 . 1 1 2 PRO HB3 H 7.138 0.301 3.724 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 6 . 339 . 1 1 2 PRO HD2 H 7.336 1.492 7.445 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 6 . 340 . 1 1 2 PRO HD3 H 8.499 0.422 6.635 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 6 . 341 . 1 1 2 PRO HG2 H 5.580 0.654 6.227 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 6 . 342 . 1 1 2 PRO HG3 H 6.679 -0.650 5.751 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 6 . 343 . 1 1 2 PRO N N 8.078 2.206 5.601 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 6 . 344 . 1 1 2 PRO O O 5.848 4.244 3.821 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 6 . 345 . 1 1 3 GLY C C 4.869 5.713 5.573 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 6 . 346 . 1 1 3 GLY CA C 4.448 4.371 6.167 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 6 . 347 . 1 1 3 GLY H H 5.693 2.692 6.521 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 6 . 348 . 1 1 3 GLY HA2 H 3.491 4.062 5.746 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 6 . 349 . 1 1 3 GLY HA3 H 4.356 4.470 7.237 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 6 . 350 . 1 1 3 GLY N N 5.461 3.374 5.857 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 6 . 351 . 1 1 3 GLY O O 4.069 6.399 4.935 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 6 . 352 . 1 1 4 CYS C C 6.033 7.641 3.896 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 6 . 353 . 1 1 4 CYS CA C 6.662 7.327 5.249 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 6 . 354 . 1 1 4 CYS CB C 8.184 7.233 5.101 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 6 . 355 . 1 1 4 CYS H H 6.741 5.492 6.290 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 6 . 356 . 1 1 4 CYS HA H 6.428 8.118 5.937 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 6 . 357 . 1 1 4 CYS HB2 H 8.426 6.820 4.133 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 6 . 358 . 1 1 4 CYS HB3 H 8.615 8.220 5.188 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 6 . 359 . 1 1 4 CYS N N 6.141 6.077 5.778 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 6 . 360 . 1 1 4 CYS O O 6.592 7.312 2.850 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 6 . 361 . 1 1 4 CYS SG S 8.856 6.164 6.400 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 6 . 362 . 1 1 5 LYS C C 4.571 10.032 2.235 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 6 . 363 . 1 1 5 LYS CA C 4.172 8.633 2.694 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 6 . 364 . 1 1 5 LYS CB C 2.658 8.578 2.914 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 6 . 365 . 1 1 5 LYS CD C 0.762 9.745 4.055 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 6 . 366 . 1 1 5 LYS CE C 0.472 11.239 3.895 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 6 . 367 . 1 1 5 LYS CG C 2.276 9.513 4.064 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 6 . 368 . 1 1 5 LYS H H 4.470 8.516 4.789 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 6 . 369 . 1 1 5 LYS HA H 4.437 7.923 1.925 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 6 . 370 . 1 1 5 LYS HB2 H 2.152 8.890 2.013 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 6 . 371 . 1 1 5 LYS HB3 H 2.366 7.569 3.161 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 6 . 372 . 1 1 5 LYS HD2 H 0.318 9.202 3.232 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 6 . 373 . 1 1 5 LYS HD3 H 0.338 9.397 4.984 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 6 . 374 . 1 1 5 LYS HE2 H 1.012 11.621 3.041 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 6 . 375 . 1 1 5 LYS HE3 H -0.588 11.387 3.746 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 6 . 376 . 1 1 5 LYS HG2 H 2.565 9.063 5.004 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 6 . 377 . 1 1 5 LYS HG3 H 2.785 10.457 3.945 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 6 . 378 . 1 1 5 LYS HZ1 H 0.474 11.523 5.958 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 6 . 379 . 1 1 5 LYS HZ2 H 0.611 12.959 5.060 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 6 . 380 . 1 1 5 LYS HZ3 H 1.942 11.915 5.205 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 6 . 381 . 1 1 5 LYS N N 4.868 8.280 3.925 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 6 . 382 . 1 1 5 LYS NZ N 0.908 11.963 5.122 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 6 . 383 . 1 1 5 LYS O O 5.760 10.298 2.178 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 6 . 384 . 1 1 5 LYS OXT O 3.682 10.815 1.947 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 7 . 385 . 1 1 1 DAL C C 9.126 2.987 5.809 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 7 . 386 . 1 1 1 DAL CA C 9.370 4.062 4.751 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 7 . 387 . 1 1 1 DAL CB C 10.082 5.264 5.378 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 7 . 388 . 1 1 1 DAL H2 H 9.805 2.604 3.330 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 7 . 389 . 1 1 1 DAL H3 H 11.177 3.331 4.020 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 7 . 390 . 1 1 1 DAL HA H 8.427 4.384 4.339 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 7 . 391 . 1 1 1 DAL HB1 H 10.495 5.884 4.596 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 7 . 392 . 1 1 1 DAL HB2 H 10.879 4.914 6.019 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 7 . 393 . 1 1 1 DAL N N 10.217 3.501 3.660 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 7 . 394 . 1 1 1 DAL O O 9.878 2.874 6.777 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 7 . 395 . 1 1 2 PRO C C 6.105 3.376 4.702 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 7 . 396 . 1 1 2 PRO CA C 7.172 2.311 4.479 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 7 . 397 . 1 1 2 PRO CB C 6.564 0.914 4.384 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 7 . 398 . 1 1 2 PRO CD C 7.701 1.103 6.535 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 7 . 399 . 1 1 2 PRO CG C 6.562 0.394 5.786 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 7 . 400 . 1 1 2 PRO HA H 7.722 2.531 3.582 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 7 . 401 . 1 1 2 PRO HB2 H 5.555 0.968 3.997 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 7 . 402 . 1 1 2 PRO HB3 H 7.175 0.280 3.757 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 7 . 403 . 1 1 2 PRO HD2 H 7.346 1.493 7.479 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 7 . 404 . 1 1 2 PRO HD3 H 8.530 0.430 6.689 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 7 . 405 . 1 1 2 PRO HG2 H 5.614 0.613 6.258 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 7 . 406 . 1 1 2 PRO HG3 H 6.739 -0.671 5.786 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 7 . 407 . 1 1 2 PRO N N 8.096 2.199 5.637 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 7 . 408 . 1 1 2 PRO O O 5.870 4.215 3.833 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 7 . 409 . 1 1 3 GLY C C 4.871 5.683 5.541 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 7 . 410 . 1 1 3 GLY CA C 4.454 4.354 6.163 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 7 . 411 . 1 1 3 GLY H H 5.699 2.680 6.542 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 7 . 412 . 1 1 3 GLY HA2 H 3.497 4.032 5.751 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 7 . 413 . 1 1 3 GLY HA3 H 4.364 4.475 7.233 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 7 . 414 . 1 1 3 GLY N N 5.471 3.356 5.871 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 7 . 415 . 1 1 3 GLY O O 4.072 6.350 4.882 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 7 . 416 . 1 1 4 CYS C C 5.988 7.611 3.855 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 7 . 417 . 1 1 4 CYS CA C 6.661 7.295 5.186 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 7 . 418 . 1 1 4 CYS CB C 8.176 7.174 4.983 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 7 . 419 . 1 1 4 CYS H H 6.741 5.486 6.270 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 7 . 420 . 1 1 4 CYS HA H 6.467 8.094 5.876 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 7 . 421 . 1 1 4 CYS HB2 H 8.375 6.665 4.051 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 7 . 422 . 1 1 4 CYS HB3 H 8.615 8.159 4.956 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 7 . 423 . 1 1 4 CYS N N 6.141 6.057 5.743 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 7 . 424 . 1 1 4 CYS O O 6.462 7.199 2.795 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 7 . 425 . 1 1 4 CYS SG S 8.896 6.228 6.351 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 7 . 426 . 1 1 5 LYS C C 4.223 10.211 2.466 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 7 . 427 . 1 1 5 LYS CA C 4.148 8.706 2.708 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 7 . 428 . 1 1 5 LYS CB C 2.684 8.280 2.837 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 7 . 429 . 1 1 5 LYS CD C 0.797 8.070 4.468 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 7 . 430 . 1 1 5 LYS CE C -0.352 9.068 4.316 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 7 . 431 . 1 1 5 LYS CG C 2.125 8.772 4.175 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 7 . 432 . 1 1 5 LYS H H 4.548 8.642 4.788 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 7 . 433 . 1 1 5 LYS HA H 4.586 8.194 1.865 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 7 . 434 . 1 1 5 LYS HB2 H 2.112 8.709 2.027 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 7 . 435 . 1 1 5 LYS HB3 H 2.618 7.203 2.795 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 7 . 436 . 1 1 5 LYS HD2 H 0.660 7.253 3.775 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 7 . 437 . 1 1 5 LYS HD3 H 0.807 7.687 5.478 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 7 . 438 . 1 1 5 LYS HE2 H -1.290 8.534 4.277 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 7 . 439 . 1 1 5 LYS HE3 H -0.357 9.743 5.159 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 7 . 440 . 1 1 5 LYS HG2 H 2.832 8.549 4.962 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 7 . 441 . 1 1 5 LYS HG3 H 1.964 9.839 4.127 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 7 . 442 . 1 1 5 LYS HZ1 H -1.090 9.956 2.582 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 7 . 443 . 1 1 5 LYS HZ2 H 0.486 9.340 2.430 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 7 . 444 . 1 1 5 LYS HZ3 H 0.214 10.784 3.282 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 7 . 445 . 1 1 5 LYS N N 4.880 8.343 3.916 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 7 . 446 . 1 1 5 LYS NZ N -0.172 9.846 3.057 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 7 . 447 . 1 1 5 LYS O O 3.990 10.622 1.342 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 7 . 448 . 1 1 5 LYS OXT O 4.511 10.928 3.409 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 8 . 449 . 1 1 1 DAL C C 9.162 3.014 5.675 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 8 . 450 . 1 1 1 DAL CA C 9.302 4.146 4.657 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 8 . 451 . 1 1 1 DAL CB C 9.964 5.359 5.312 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 8 . 452 . 1 1 1 DAL H2 H 10.589 2.776 3.762 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 8 . 453 . 1 1 1 DAL H3 H 10.877 4.391 3.318 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 8 . 454 . 1 1 1 DAL HA H 8.328 4.426 4.292 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 8 . 455 . 1 1 1 DAL HB1 H 10.293 6.046 4.548 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 8 . 456 . 1 1 1 DAL HB2 H 10.815 5.032 5.893 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 8 . 457 . 1 1 1 DAL N N 10.142 3.683 3.517 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 8 . 458 . 1 1 1 DAL O O 9.976 2.887 6.590 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 8 . 459 . 1 1 2 PRO C C 6.076 3.341 4.757 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 8 . 460 . 1 1 2 PRO CA C 7.155 2.315 4.433 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 8 . 461 . 1 1 2 PRO CB C 6.576 0.905 4.331 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 8 . 462 . 1 1 2 PRO CD C 7.862 1.040 6.397 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 8 . 463 . 1 1 2 PRO CG C 6.682 0.339 5.710 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 8 . 464 . 1 1 2 PRO HA H 7.641 2.576 3.511 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 8 . 465 . 1 1 2 PRO HB2 H 5.542 0.946 4.015 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 8 . 466 . 1 1 2 PRO HB3 H 7.157 0.309 3.642 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 8 . 467 . 1 1 2 PRO HD2 H 7.579 1.373 7.386 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 8 . 468 . 1 1 2 PRO HD3 H 8.716 0.384 6.446 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 8 . 469 . 1 1 2 PRO HG2 H 5.767 0.527 6.256 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 8 . 470 . 1 1 2 PRO HG3 H 6.872 -0.722 5.661 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 8 . 471 . 1 1 2 PRO N N 8.155 2.191 5.527 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 8 . 472 . 1 1 2 PRO O O 5.754 4.190 3.926 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 8 . 473 . 1 1 3 GLY C C 4.828 5.589 5.724 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 8 . 474 . 1 1 3 GLY CA C 4.510 4.238 6.358 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 8 . 475 . 1 1 3 GLY H H 5.828 2.595 6.604 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 8 . 476 . 1 1 3 GLY HA2 H 3.532 3.889 6.021 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 8 . 477 . 1 1 3 GLY HA3 H 4.504 4.342 7.432 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 8 . 478 . 1 1 3 GLY N N 5.531 3.278 5.967 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 8 . 479 . 1 1 3 GLY O O 3.964 6.223 5.120 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 8 . 480 . 1 1 4 CYS C C 5.896 7.492 3.908 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 8 . 481 . 1 1 4 CYS CA C 6.523 7.281 5.283 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 8 . 482 . 1 1 4 CYS CB C 8.050 7.297 5.160 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 8 . 483 . 1 1 4 CYS H H 6.744 5.471 6.344 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 8 . 484 . 1 1 4 CYS HA H 6.217 8.080 5.933 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 8 . 485 . 1 1 4 CYS HB2 H 8.334 6.969 4.171 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 8 . 486 . 1 1 4 CYS HB3 H 8.414 8.301 5.323 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 8 . 487 . 1 1 4 CYS N N 6.090 6.017 5.856 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 8 . 488 . 1 1 4 CYS O O 6.232 6.796 2.949 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 8 . 489 . 1 1 4 CYS SG S 8.770 6.185 6.398 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 8 . 490 . 1 1 5 LYS C C 5.307 8.680 1.398 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 8 . 491 . 1 1 5 LYS CA C 4.316 8.748 2.556 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 8 . 492 . 1 1 5 LYS CB C 3.684 10.140 2.609 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 8 . 493 . 1 1 5 LYS CD C 2.140 9.617 4.503 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 8 . 494 . 1 1 5 LYS CE C 1.005 8.610 4.698 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 8 . 495 . 1 1 5 LYS CG C 2.218 10.021 3.029 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 8 . 496 . 1 1 5 LYS H H 4.756 8.977 4.617 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 8 . 497 . 1 1 5 LYS HA H 3.538 8.017 2.394 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 8 . 498 . 1 1 5 LYS HB2 H 4.217 10.749 3.324 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 8 . 499 . 1 1 5 LYS HB3 H 3.740 10.597 1.633 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 8 . 500 . 1 1 5 LYS HD2 H 3.076 9.168 4.803 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 8 . 501 . 1 1 5 LYS HD3 H 1.951 10.491 5.107 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 8 . 502 . 1 1 5 LYS HE2 H 0.897 8.388 5.749 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 8 . 503 . 1 1 5 LYS HE3 H 0.083 9.029 4.322 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 8 . 504 . 1 1 5 LYS HG2 H 1.726 10.973 2.890 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 8 . 505 . 1 1 5 LYS HG3 H 1.729 9.271 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 8 . 506 . 1 1 5 LYS HZ1 H 0.486 6.736 3.953 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 8 . 507 . 1 1 5 LYS HZ2 H 2.114 6.871 4.417 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 8 . 508 . 1 1 5 LYS HZ3 H 1.577 7.589 2.974 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 8 . 509 . 1 1 5 LYS N N 4.984 8.454 3.820 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 8 . 510 . 1 1 5 LYS NZ N 1.319 7.357 3.955 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 8 . 511 . 1 1 5 LYS O O 5.375 7.641 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 8 . 512 . 1 1 5 LYS OXT O 5.982 9.669 1.164 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 9 . 513 . 1 1 1 DAL C C 9.134 3.021 5.862 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 9 . 514 . 1 1 1 DAL CA C 9.403 4.039 4.754 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 9 . 515 . 1 1 1 DAL CB C 10.111 5.266 5.331 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 9 . 516 . 1 1 1 DAL H2 H 10.251 2.382 3.821 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 9 . 517 . 1 1 1 DAL H3 H 11.245 3.759 3.824 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 9 . 518 . 1 1 1 DAL HA H 8.471 4.343 4.307 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 9 . 519 . 1 1 1 DAL HB1 H 10.510 5.864 4.524 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 9 . 520 . 1 1 1 DAL HB2 H 10.919 4.946 5.975 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 9 . 521 . 1 1 1 DAL N N 10.270 3.417 3.713 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 9 . 522 . 1 1 1 DAL O O 9.870 2.954 6.847 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 9 . 523 . 1 1 2 PRO C C 6.114 3.348 4.702 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 9 . 524 . 1 1 2 PRO CA C 7.194 2.285 4.539 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 9 . 525 . 1 1 2 PRO CB C 6.598 0.879 4.500 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 9 . 526 . 1 1 2 PRO CD C 7.688 1.183 6.662 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 9 . 527 . 1 1 2 PRO CG C 6.568 0.430 5.928 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 9 . 528 . 1 1 2 PRO HA H 7.755 2.468 3.641 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 9 . 529 . 1 1 2 PRO HB2 H 5.598 0.906 4.088 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 9 . 530 . 1 1 2 PRO HB3 H 7.229 0.221 3.921 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 9 . 531 . 1 1 2 PRO HD2 H 7.311 1.622 7.575 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 9 . 532 . 1 1 2 PRO HD3 H 8.515 0.522 6.870 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 9 . 533 . 1 1 2 PRO HG2 H 5.609 0.669 6.367 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 9 . 534 . 1 1 2 PRO HG3 H 6.748 -0.631 5.985 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 9 . 535 . 1 1 2 PRO N N 8.102 2.230 5.715 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 9 . 536 . 1 1 2 PRO O O 5.884 4.150 3.796 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 9 . 537 . 1 1 3 GLY C C 4.864 5.691 5.480 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 9 . 538 . 1 1 3 GLY CA C 4.433 4.367 6.104 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 9 . 539 . 1 1 3 GLY H H 5.691 2.722 6.562 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 9 . 540 . 1 1 3 GLY HA2 H 3.493 4.035 5.662 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 9 . 541 . 1 1 3 GLY HA3 H 4.304 4.499 7.168 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 9 . 542 . 1 1 3 GLY N N 5.464 3.369 5.862 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 9 . 543 . 1 1 3 GLY O O 4.075 6.363 4.818 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 9 . 544 . 1 1 4 CYS C C 5.973 7.638 3.828 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 9 . 545 . 1 1 4 CYS CA C 6.672 7.285 5.136 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 9 . 546 . 1 1 4 CYS CB C 8.176 7.133 4.891 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 9 . 547 . 1 1 4 CYS H H 6.728 5.477 6.222 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 9 . 548 . 1 1 4 CYS HA H 6.514 8.080 5.843 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 9 . 549 . 1 1 4 CYS HB2 H 8.337 6.573 3.983 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 9 . 550 . 1 1 4 CYS HB3 H 8.626 8.111 4.797 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 9 . 551 . 1 1 4 CYS N N 6.136 6.053 5.689 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 9 . 552 . 1 1 4 CYS O O 6.433 7.270 2.747 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 9 . 553 . 1 1 4 CYS SG S 8.929 6.253 6.285 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 9 . 554 . 1 1 5 LYS C C 4.237 10.252 2.511 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 9 . 555 . 1 1 5 LYS CA C 4.103 8.752 2.753 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 9 . 556 . 1 1 5 LYS CB C 2.626 8.391 2.932 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 9 . 557 . 1 1 5 LYS CD C 0.619 8.810 4.361 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 9 . 558 . 1 1 5 LYS CE C 0.279 9.322 5.761 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 9 . 559 . 1 1 5 LYS CG C 1.983 9.354 3.931 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 9 . 560 . 1 1 5 LYS H H 4.541 8.618 4.822 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 9 . 561 . 1 1 5 LYS HA H 4.488 8.222 1.894 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 9 . 562 . 1 1 5 LYS HB2 H 2.119 8.466 1.980 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 9 . 563 . 1 1 5 LYS HB3 H 2.545 7.382 3.305 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 9 . 564 . 1 1 5 LYS HD2 H -0.137 9.139 3.662 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 9 . 565 . 1 1 5 LYS HD3 H 0.651 7.730 4.373 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 9 . 566 . 1 1 5 LYS HE2 H -0.541 8.747 6.166 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 9 . 567 . 1 1 5 LYS HE3 H 1.142 9.219 6.403 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 9 . 568 . 1 1 5 LYS HG2 H 2.622 9.454 4.796 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 9 . 569 . 1 1 5 LYS HG3 H 1.852 10.321 3.467 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 9 . 570 . 1 1 5 LYS HZ1 H -0.494 10.963 4.739 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 9 . 571 . 1 1 5 LYS HZ2 H 0.721 11.355 5.860 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 9 . 572 . 1 1 5 LYS HZ3 H -0.842 10.958 6.399 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 9 . 573 . 1 1 5 LYS N N 4.859 8.353 3.934 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 9 . 574 . 1 1 5 LYS NZ N -0.114 10.758 5.684 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 9 . 575 . 1 1 5 LYS O O 4.378 10.637 1.362 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 9 . 576 . 1 1 5 LYS OXT O 4.196 10.993 3.480 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 10 . 577 . 1 1 1 DAL C C 9.191 3.050 5.769 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 10 . 578 . 1 1 1 DAL CA C 9.352 4.104 4.675 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 10 . 579 . 1 1 1 DAL CB C 10.026 5.353 5.248 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 10 . 580 . 1 1 1 DAL H2 H 10.175 4.205 2.766 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 10 . 581 . 1 1 1 DAL H3 H 9.821 2.627 3.286 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 10 . 582 . 1 1 1 DAL HA H 8.383 4.372 4.284 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 10 . 583 . 1 1 1 DAL HB1 H 10.365 5.982 4.439 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 10 . 584 . 1 1 1 DAL HB2 H 10.870 5.059 5.855 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 10 . 585 . 1 1 1 DAL N N 10.194 3.552 3.577 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 10 . 586 . 1 1 1 DAL O O 9.986 2.990 6.708 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 10 . 587 . 1 1 2 PRO C C 6.110 3.288 4.780 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 10 . 588 . 1 1 2 PRO CA C 7.210 2.263 4.540 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 10 . 589 . 1 1 2 PRO CB C 6.656 0.840 4.509 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 10 . 590 . 1 1 2 PRO CD C 7.873 1.132 6.601 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 10 . 591 . 1 1 2 PRO CG C 6.728 0.364 5.926 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 10 . 592 . 1 1 2 PRO HA H 7.714 2.477 3.614 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 10 . 593 . 1 1 2 PRO HB2 H 5.632 0.842 4.159 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 10 . 594 . 1 1 2 PRO HB3 H 7.268 0.212 3.879 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 10 . 595 . 1 1 2 PRO HD2 H 7.548 1.533 7.552 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 10 . 596 . 1 1 2 PRO HD3 H 8.732 0.493 6.733 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 10 . 597 . 1 1 2 PRO HG2 H 5.793 0.569 6.430 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 10 . 598 . 1 1 2 PRO HG3 H 6.939 -0.694 5.950 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 10 . 599 . 1 1 2 PRO N N 8.186 2.218 5.660 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 10 . 600 . 1 1 2 PRO O O 5.806 4.095 3.901 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 10 . 601 . 1 1 3 GLY C C 4.816 5.570 5.625 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 10 . 602 . 1 1 3 GLY CA C 4.480 4.237 6.286 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 10 . 603 . 1 1 3 GLY H H 5.808 2.624 6.651 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 10 . 604 . 1 1 3 GLY HA2 H 3.522 3.868 5.915 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 10 . 605 . 1 1 3 GLY HA3 H 4.424 4.373 7.355 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 10 . 606 . 1 1 3 GLY N N 5.526 3.274 5.974 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 10 . 607 . 1 1 3 GLY O O 3.964 6.195 4.995 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 10 . 608 . 1 1 4 CYS C C 5.806 7.497 3.848 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 10 . 609 . 1 1 4 CYS CA C 6.527 7.242 5.167 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 10 . 610 . 1 1 4 CYS CB C 8.039 7.190 4.926 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 10 . 611 . 1 1 4 CYS H H 6.723 5.455 6.273 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 10 . 612 . 1 1 4 CYS HA H 6.311 8.047 5.846 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 10 . 613 . 1 1 4 CYS HB2 H 8.235 6.699 3.984 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 10 . 614 . 1 1 4 CYS HB3 H 8.433 8.195 4.897 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 10 . 615 . 1 1 4 CYS N N 6.079 5.994 5.764 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 10 . 616 . 1 1 4 CYS O O 5.993 6.767 2.875 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 10 . 617 . 1 1 4 CYS SG S 8.836 6.266 6.266 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 10 . 618 . 1 1 5 LYS C C 5.108 9.689 1.661 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 10 . 619 . 1 1 5 LYS CA C 4.235 8.882 2.618 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 10 . 620 . 1 1 5 LYS CB C 2.993 9.695 2.987 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 10 . 621 . 1 1 5 LYS CD C 1.072 10.905 1.942 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 10 . 622 . 1 1 5 LYS CE C 0.234 11.044 0.669 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 10 . 623 . 1 1 5 LYS CG C 2.023 9.715 1.803 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 10 . 624 . 1 1 5 LYS H H 4.873 9.084 4.630 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 10 . 625 . 1 1 5 LYS HA H 3.924 7.973 2.128 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 10 . 626 . 1 1 5 LYS HB2 H 2.509 9.245 3.842 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 10 . 627 . 1 1 5 LYS HB3 H 3.282 10.706 3.229 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 10 . 628 . 1 1 5 LYS HD2 H 0.419 10.747 2.788 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 10 . 629 . 1 1 5 LYS HD3 H 1.645 11.807 2.093 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 10 . 630 . 1 1 5 LYS HE2 H 0.513 10.273 -0.033 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 10 . 631 . 1 1 5 LYS HE3 H -0.814 10.945 0.915 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 10 . 632 . 1 1 5 LYS HG2 H 2.582 9.804 0.883 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 10 . 633 . 1 1 5 LYS HG3 H 1.452 8.799 1.791 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 10 . 634 . 1 1 5 LYS HZ1 H 0.711 12.267 -0.947 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 10 . 635 . 1 1 5 LYS HZ2 H 1.266 12.849 0.550 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 10 . 636 . 1 1 5 LYS HZ3 H -0.381 12.964 0.148 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 10 . 637 . 1 1 5 LYS N N 4.982 8.538 3.824 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 10 . 638 . 1 1 5 LYS NZ N 0.476 12.382 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 10 . 639 . 1 1 5 LYS O O 5.127 10.902 1.789 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 10 . 640 . 1 1 5 LYS OXT O 5.743 9.081 0.816 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 11 . 641 . 1 1 1 DAL C C 9.223 3.101 5.631 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 11 . 642 . 1 1 1 DAL CA C 9.278 4.193 4.564 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 11 . 643 . 1 1 1 DAL CB C 9.910 5.460 5.143 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 11 . 644 . 1 1 1 DAL H2 H 9.469 3.353 2.668 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 11 . 645 . 1 1 1 DAL H3 H 10.737 2.963 3.730 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 11 . 646 . 1 1 1 DAL HA H 8.281 4.419 4.222 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 11 . 647 . 1 1 1 DAL HB1 H 10.158 6.138 4.340 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 11 . 648 . 1 1 1 DAL HB2 H 10.809 5.197 5.683 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 11 . 649 . 1 1 1 DAL N N 10.098 3.718 3.413 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 11 . 650 . 1 1 1 DAL O O 10.077 3.045 6.517 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 11 . 651 . 1 1 2 PRO C C 6.083 3.259 4.839 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 11 . 652 . 1 1 2 PRO CA C 7.195 2.274 4.506 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 11 . 653 . 1 1 2 PRO CB C 6.681 0.836 4.479 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 11 . 654 . 1 1 2 PRO CD C 8.030 1.114 6.489 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 11 . 655 . 1 1 2 PRO CG C 6.857 0.335 5.877 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 11 . 656 . 1 1 2 PRO HA H 7.630 2.522 3.555 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 11 . 657 . 1 1 2 PRO HB2 H 5.636 0.815 4.196 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 11 . 658 . 1 1 2 PRO HB3 H 7.268 0.238 3.797 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 11 . 659 . 1 1 2 PRO HD2 H 7.768 1.477 7.474 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 11 . 660 . 1 1 2 PRO HD3 H 8.913 0.495 6.534 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 11 . 661 . 1 1 2 PRO HG2 H 5.955 0.511 6.447 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 11 . 662 . 1 1 2 PRO HG3 H 7.089 -0.718 5.866 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 11 . 663 . 1 1 2 PRO N N 8.242 2.236 5.561 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 11 . 664 . 1 1 2 PRO O O 5.695 4.070 4.000 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 11 . 665 . 1 1 3 GLY C C 4.773 5.478 5.806 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 11 . 666 . 1 1 3 GLY CA C 4.531 4.127 6.471 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 11 . 667 . 1 1 3 GLY H H 5.930 2.552 6.713 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 11 . 668 . 1 1 3 GLY HA2 H 3.561 3.730 6.167 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 11 . 669 . 1 1 3 GLY HA3 H 4.549 4.249 7.544 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 11 . 670 . 1 1 3 GLY N N 5.581 3.205 6.070 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 11 . 671 . 1 1 3 GLY O O 3.859 6.071 5.232 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 11 . 672 . 1 1 4 CYS C C 5.651 7.409 3.941 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 11 . 673 . 1 1 4 CYS CA C 6.379 7.228 5.269 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 11 . 674 . 1 1 4 CYS CB C 7.892 7.286 5.037 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 11 . 675 . 1 1 4 CYS H H 6.716 5.443 6.345 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 11 . 676 . 1 1 4 CYS HA H 6.098 8.023 5.935 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 11 . 677 . 1 1 4 CYS HB2 H 8.118 6.920 4.047 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 11 . 678 . 1 1 4 CYS HB3 H 8.231 8.308 5.129 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 11 . 679 . 1 1 4 CYS N N 6.021 5.957 5.878 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 11 . 680 . 1 1 4 CYS O O 5.558 6.480 3.141 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 11 . 681 . 1 1 4 CYS SG S 8.735 6.258 6.269 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 11 . 682 . 1 1 5 LYS C C 5.072 10.077 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 11 . 683 . 1 1 5 LYS CA C 4.422 8.907 2.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 11 . 684 . 1 1 5 LYS CB C 2.962 9.242 2.785 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 11 . 685 . 1 1 5 LYS CD C 1.383 8.352 4.505 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 11 . 686 . 1 1 5 LYS CE C 0.171 9.163 4.041 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 11 . 687 . 1 1 5 LYS CG C 2.247 7.990 3.297 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 11 . 688 . 1 1 5 LYS H H 5.244 9.318 4.387 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 11 . 689 . 1 1 5 LYS HA H 4.452 8.035 1.840 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 11 . 690 . 1 1 5 LYS HB2 H 2.922 10.015 3.540 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 11 . 691 . 1 1 5 LYS HB3 H 2.475 9.590 1.887 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 11 . 692 . 1 1 5 LYS HD2 H 1.046 7.448 4.991 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 11 . 693 . 1 1 5 LYS HD3 H 1.962 8.941 5.201 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 11 . 694 . 1 1 5 LYS HE2 H 0.508 10.071 3.563 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 11 . 695 . 1 1 5 LYS HE3 H -0.405 8.580 3.338 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 11 . 696 . 1 1 5 LYS HG2 H 1.623 7.587 2.514 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 11 . 697 . 1 1 5 LYS HG3 H 2.979 7.252 3.590 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 11 . 698 . 1 1 5 LYS HZ1 H -1.254 8.683 5.480 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 11 . 699 . 1 1 5 LYS HZ2 H -1.301 10.304 4.973 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 11 . 700 . 1 1 5 LYS HZ3 H -0.070 9.772 6.018 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 11 . 701 . 1 1 5 LYS N N 5.138 8.615 3.713 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 11 . 702 . 1 1 5 LYS NZ N -0.678 9.507 5.217 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 11 . 703 . 1 1 5 LYS O O 4.343 10.876 1.181 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 11 . 704 . 1 1 5 LYS OXT O 6.289 10.158 1.761 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 12 . 705 . 1 1 1 DAL C C 9.193 3.055 5.771 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 12 . 706 . 1 1 1 DAL CA C 9.348 4.108 4.674 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 12 . 707 . 1 1 1 DAL CB C 10.026 5.356 5.239 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 12 . 708 . 1 1 1 DAL H2 H 10.884 4.260 3.276 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 12 . 709 . 1 1 1 DAL H3 H 9.571 3.310 2.763 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 12 . 710 . 1 1 1 DAL HA H 8.377 4.374 4.288 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 12 . 711 . 1 1 1 DAL HB1 H 10.367 5.980 4.425 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 12 . 712 . 1 1 1 DAL HB2 H 10.870 5.062 5.846 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 12 . 713 . 1 1 1 DAL N N 10.181 3.551 3.570 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 12 . 714 . 1 1 1 DAL O O 9.989 3.003 6.710 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 12 . 715 . 1 1 2 PRO C C 6.112 3.282 4.784 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 12 . 716 . 1 1 2 PRO CA C 7.215 2.258 4.546 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 12 . 717 . 1 1 2 PRO CB C 6.667 0.834 4.518 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 12 . 718 . 1 1 2 PRO CD C 7.882 1.136 6.610 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 12 . 719 . 1 1 2 PRO CG C 6.742 0.359 5.935 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 12 . 720 . 1 1 2 PRO HA H 7.717 2.473 3.619 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 12 . 721 . 1 1 2 PRO HB2 H 5.642 0.832 4.171 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 12 . 722 . 1 1 2 PRO HB3 H 7.280 0.207 3.887 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 12 . 723 . 1 1 2 PRO HD2 H 7.554 1.538 7.559 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 12 . 724 . 1 1 2 PRO HD3 H 8.745 0.501 6.744 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 12 . 725 . 1 1 2 PRO HG2 H 5.807 0.559 6.440 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 12 . 726 . 1 1 2 PRO HG3 H 6.960 -0.696 5.961 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 12 . 727 . 1 1 2 PRO N N 8.192 2.220 5.666 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 12 . 728 . 1 1 2 PRO O O 5.802 4.083 3.903 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 12 . 729 . 1 1 3 GLY C C 4.816 5.563 5.626 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 12 . 730 . 1 1 3 GLY CA C 4.482 4.230 6.291 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 12 . 731 . 1 1 3 GLY H H 5.818 2.623 6.659 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 12 . 732 . 1 1 3 GLY HA2 H 3.524 3.858 5.922 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 12 . 733 . 1 1 3 GLY HA3 H 4.427 4.369 7.360 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 12 . 734 . 1 1 3 GLY N N 5.530 3.269 5.981 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 12 . 735 . 1 1 3 GLY O O 3.959 6.184 4.996 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 12 . 736 . 1 1 4 CYS C C 5.789 7.490 3.846 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 12 . 737 . 1 1 4 CYS CA C 6.521 7.236 5.159 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 12 . 738 . 1 1 4 CYS CB C 8.031 7.181 4.905 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 12 . 739 . 1 1 4 CYS H H 6.724 5.452 6.269 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 12 . 740 . 1 1 4 CYS HA H 6.312 8.041 5.838 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 12 . 741 . 1 1 4 CYS HB2 H 8.220 6.676 3.969 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 12 . 742 . 1 1 4 CYS HB3 H 8.424 8.186 4.857 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 12 . 743 . 1 1 4 CYS N N 6.077 5.989 5.760 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 12 . 744 . 1 1 4 CYS O O 5.944 6.740 2.882 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 12 . 745 . 1 1 4 CYS SG S 8.841 6.279 6.252 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 12 . 746 . 1 1 5 LYS C C 4.593 10.304 2.149 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 12 . 747 . 1 1 5 LYS CA C 4.238 8.897 2.617 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 12 . 748 . 1 1 5 LYS CB C 2.737 8.813 2.900 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 12 . 749 . 1 1 5 LYS CD C 0.521 8.439 1.810 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 12 . 750 . 1 1 5 LYS CE C -0.250 8.505 0.489 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 12 . 751 . 1 1 5 LYS CG C 1.965 8.887 1.582 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 12 . 752 . 1 1 5 LYS H H 4.908 9.112 4.616 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 12 . 753 . 1 1 5 LYS HA H 4.484 8.195 1.835 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 12 . 754 . 1 1 5 LYS HB2 H 2.516 7.880 3.396 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 12 . 755 . 1 1 5 LYS HB3 H 2.444 9.637 3.534 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 12 . 756 . 1 1 5 LYS HD2 H 0.514 7.424 2.181 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 12 . 757 . 1 1 5 LYS HD3 H 0.050 9.090 2.531 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 12 . 758 . 1 1 5 LYS HE2 H -0.030 9.438 -0.009 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 12 . 759 . 1 1 5 LYS HE3 H 0.048 7.680 -0.143 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 12 . 760 . 1 1 5 LYS HG2 H 1.973 9.905 1.217 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 12 . 761 . 1 1 5 LYS HG3 H 2.431 8.240 0.854 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 12 . 762 . 1 1 5 LYS HZ1 H -1.953 9.043 1.559 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 12 . 763 . 1 1 5 LYS HZ2 H -1.963 7.438 1.000 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 12 . 764 . 1 1 5 LYS HZ3 H -2.240 8.719 -0.081 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 12 . 765 . 1 1 5 LYS N N 4.991 8.551 3.817 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 12 . 766 . 1 1 5 LYS NZ N -1.712 8.420 0.763 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 12 . 767 . 1 1 5 LYS O O 3.909 11.232 2.552 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 12 . 768 . 1 1 5 LYS OXT O 5.543 10.435 1.394 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 13 . 769 . 1 1 1 DAL C C 9.179 3.077 5.859 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 13 . 770 . 1 1 1 DAL CA C 9.375 4.069 4.716 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 13 . 771 . 1 1 1 DAL CB C 10.089 5.322 5.228 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 13 . 772 . 1 1 1 DAL H2 H 11.102 3.116 4.050 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 13 . 773 . 1 1 1 DAL H3 H 10.378 4.127 2.892 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 13 . 774 . 1 1 1 DAL HA H 8.415 4.348 4.309 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 13 . 775 . 1 1 1 DAL HB1 H 10.457 5.895 4.389 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 13 . 776 . 1 1 1 DAL HB2 H 10.919 5.031 5.856 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 13 . 777 . 1 1 1 DAL N N 10.198 3.436 3.647 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 13 . 778 . 1 1 1 DAL O O 9.943 3.066 6.824 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 13 . 779 . 1 1 2 PRO C C 6.131 3.268 4.764 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 13 . 780 . 1 1 2 PRO CA C 7.241 2.237 4.607 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 13 . 781 . 1 1 2 PRO CB C 6.693 0.812 4.619 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 13 . 782 . 1 1 2 PRO CD C 7.826 1.208 6.743 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 13 . 783 . 1 1 2 PRO CG C 6.714 0.400 6.057 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 13 . 784 . 1 1 2 PRO HA H 7.776 2.414 3.692 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 13 . 785 . 1 1 2 PRO HB2 H 5.682 0.794 4.234 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 13 . 786 . 1 1 2 PRO HB3 H 7.329 0.159 4.040 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 13 . 787 . 1 1 2 PRO HD2 H 7.458 1.658 7.656 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 13 . 788 . 1 1 2 PRO HD3 H 8.680 0.582 6.945 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 13 . 789 . 1 1 2 PRO HG2 H 5.759 0.617 6.516 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 13 . 790 . 1 1 2 PRO HG3 H 6.933 -0.654 6.137 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 13 . 791 . 1 1 2 PRO N N 8.176 2.245 5.760 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 13 . 792 . 1 1 2 PRO O O 5.852 4.031 3.840 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 13 . 793 . 1 1 3 GLY C C 4.835 5.599 5.511 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 13 . 794 . 1 1 3 GLY CA C 4.454 4.277 6.174 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 13 . 795 . 1 1 3 GLY H H 5.774 2.689 6.653 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 13 . 796 . 1 1 3 GLY HA2 H 3.516 3.907 5.756 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 13 . 797 . 1 1 3 GLY HA3 H 4.338 4.434 7.235 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 13 . 798 . 1 1 3 GLY N N 5.510 3.305 5.938 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 13 . 799 . 1 1 3 GLY O O 4.009 6.238 4.858 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 13 . 800 . 1 1 4 CYS C C 5.834 7.546 3.795 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 13 . 801 . 1 1 4 CYS CA C 6.589 7.232 5.080 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 13 . 802 . 1 1 4 CYS CB C 8.086 7.110 4.780 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 13 . 803 . 1 1 4 CYS H H 6.724 5.448 6.202 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 13 . 804 . 1 1 4 CYS HA H 6.440 8.034 5.779 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 13 . 805 . 1 1 4 CYS HB2 H 8.228 6.507 3.896 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 13 . 806 . 1 1 4 CYS HB3 H 8.500 8.094 4.615 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 13 . 807 . 1 1 4 CYS N N 6.102 5.997 5.674 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 13 . 808 . 1 1 4 CYS O O 6.062 6.921 2.759 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 13 . 809 . 1 1 4 CYS SG S 8.926 6.330 6.184 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 13 . 810 . 1 1 5 LYS C C 4.654 10.236 2.143 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 13 . 811 . 1 1 5 LYS CA C 4.146 8.913 2.710 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 13 . 812 . 1 1 5 LYS CB C 2.673 9.057 3.101 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 13 . 813 . 1 1 5 LYS CD C 0.441 7.933 3.066 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 13 . 814 . 1 1 5 LYS CE C -0.264 6.609 2.769 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 13 . 815 . 1 1 5 LYS CG C 1.877 7.876 2.541 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 13 . 816 . 1 1 5 LYS H H 4.798 8.978 4.726 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 13 . 817 . 1 1 5 LYS HA H 4.233 8.151 1.951 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 13 . 818 . 1 1 5 LYS HB2 H 2.587 9.073 4.178 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 13 . 819 . 1 1 5 LYS HB3 H 2.281 9.978 2.695 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 13 . 820 . 1 1 5 LYS HD2 H 0.455 8.102 4.134 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 13 . 821 . 1 1 5 LYS HD3 H -0.089 8.738 2.580 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 13 . 822 . 1 1 5 LYS HE2 H 0.419 5.790 2.944 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 13 . 823 . 1 1 5 LYS HE3 H -1.123 6.505 3.414 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 13 . 824 . 1 1 5 LYS HG2 H 1.869 7.928 1.461 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 13 . 825 . 1 1 5 LYS HG3 H 2.337 6.951 2.854 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 13 . 826 . 1 1 5 LYS HZ1 H -1.699 6.892 1.287 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 13 . 827 . 1 1 5 LYS HZ2 H -0.614 5.624 0.966 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 13 . 828 . 1 1 5 LYS HZ3 H -0.115 7.239 0.789 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 13 . 829 . 1 1 5 LYS N N 4.933 8.519 3.872 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 13 . 830 . 1 1 5 LYS NZ N -0.706 6.590 1.345 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 13 . 831 . 1 1 5 LYS O O 4.249 10.583 1.046 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 13 . 832 . 1 1 5 LYS OXT O 5.440 10.882 2.816 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 14 . 833 . 1 1 1 DAL C C 9.243 3.141 5.619 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 14 . 834 . 1 1 1 DAL CA C 9.264 4.208 4.524 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 14 . 835 . 1 1 1 DAL CB C 9.889 5.496 5.061 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 14 . 836 . 1 1 1 DAL H2 H 10.422 4.527 2.825 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 14 . 837 . 1 1 1 DAL H3 H 9.465 3.124 2.759 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 14 . 838 . 1 1 1 DAL HA H 8.257 4.412 4.198 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 14 . 839 . 1 1 1 DAL HB1 H 10.104 6.163 4.238 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 14 . 840 . 1 1 1 DAL HB2 H 10.806 5.260 5.581 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 14 . 841 . 1 1 1 DAL N N 10.065 3.715 3.369 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 14 . 842 . 1 1 1 DAL O O 10.110 3.121 6.494 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 14 . 843 . 1 1 2 PRO C C 6.089 3.224 4.868 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 14 . 844 . 1 1 2 PRO CA C 7.216 2.253 4.541 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 14 . 845 . 1 1 2 PRO CB C 6.732 0.804 4.549 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 14 . 846 . 1 1 2 PRO CD C 8.098 1.152 6.537 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 14 . 847 . 1 1 2 PRO CG C 6.939 0.332 5.953 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 14 . 848 . 1 1 2 PRO HA H 7.634 2.490 3.580 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 14 . 849 . 1 1 2 PRO HB2 H 5.684 0.756 4.281 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 14 . 850 . 1 1 2 PRO HB3 H 7.322 0.206 3.870 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 14 . 851 . 1 1 2 PRO HD2 H 7.836 1.532 7.515 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 14 . 852 . 1 1 2 PRO HD3 H 8.995 0.555 6.589 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 14 . 853 . 1 1 2 PRO HG2 H 6.039 0.495 6.532 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 14 . 854 . 1 1 2 PRO HG3 H 7.197 -0.714 5.958 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 14 . 855 . 1 1 2 PRO N N 8.278 2.257 5.582 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 14 . 856 . 1 1 2 PRO O O 5.677 4.011 4.016 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 14 . 857 . 1 1 3 GLY C C 4.755 5.446 5.829 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 14 . 858 . 1 1 3 GLY CA C 4.537 4.092 6.501 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 14 . 859 . 1 1 3 GLY H H 5.969 2.550 6.755 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 14 . 860 . 1 1 3 GLY HA2 H 3.573 3.679 6.200 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 14 . 861 . 1 1 3 GLY HA3 H 4.554 4.221 7.573 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 14 . 862 . 1 1 3 GLY N N 5.602 3.184 6.105 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 14 . 863 . 1 1 3 GLY O O 3.826 6.026 5.266 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 14 . 864 . 1 1 4 CYS C C 5.547 7.406 3.971 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 14 . 865 . 1 1 4 CYS CA C 6.328 7.215 5.266 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 14 . 866 . 1 1 4 CYS CB C 7.830 7.278 4.972 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 14 . 867 . 1 1 4 CYS H H 6.706 5.437 6.341 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 14 . 868 . 1 1 4 CYS HA H 6.075 8.005 5.947 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 14 . 869 . 1 1 4 CYS HB2 H 8.021 6.882 3.986 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 14 . 870 . 1 1 4 CYS HB3 H 8.162 8.305 5.017 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 14 . 871 . 1 1 4 CYS N N 5.997 5.940 5.883 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 14 . 872 . 1 1 4 CYS O O 5.259 6.443 3.261 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 14 . 873 . 1 1 4 CYS SG S 8.731 6.299 6.202 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 14 . 874 . 1 1 5 LYS C C 5.312 8.690 1.219 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 14 . 875 . 1 1 5 LYS CA C 4.459 8.960 2.455 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 14 . 876 . 1 1 5 LYS CB C 4.024 10.426 2.466 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 14 . 877 . 1 1 5 LYS CD C 3.053 12.143 0.932 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 14 . 878 . 1 1 5 LYS CE C 4.298 12.412 0.085 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 14 . 879 . 1 1 5 LYS CG C 3.020 10.668 1.337 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 14 . 880 . 1 1 5 LYS H H 5.464 9.383 4.273 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 14 . 881 . 1 1 5 LYS HA H 3.580 8.336 2.419 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 14 . 882 . 1 1 5 LYS HB2 H 3.564 10.658 3.415 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 14 . 883 . 1 1 5 LYS HB3 H 4.886 11.059 2.319 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 14 . 884 . 1 1 5 LYS HD2 H 2.169 12.378 0.357 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 14 . 885 . 1 1 5 LYS HD3 H 3.082 12.760 1.817 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 14 . 886 . 1 1 5 LYS HE2 H 5.148 12.569 0.734 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 14 . 887 . 1 1 5 LYS HE3 H 4.488 11.565 -0.557 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 14 . 888 . 1 1 5 LYS HG2 H 3.278 10.053 0.488 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 14 . 889 . 1 1 5 LYS HG3 H 2.026 10.414 1.678 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 14 . 890 . 1 1 5 LYS HZ1 H 3.059 13.774 -0.885 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 14 . 891 . 1 1 5 LYS HZ2 H 4.540 13.502 -1.673 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 14 . 892 . 1 1 5 LYS HZ3 H 4.484 14.456 -0.267 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 14 . 893 . 1 1 5 LYS N N 5.207 8.654 3.669 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 14 . 894 . 1 1 5 LYS NZ N 4.078 13.628 -0.748 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 14 . 895 . 1 1 5 LYS O O 6.366 9.292 1.108 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 14 . 896 . 1 1 5 LYS OXT O 4.898 7.882 0.403 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 1
. 15 . 897 . 1 1 1 DAL C C 9.136 2.987 5.761 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qm1 1
. 15 . 898 . 1 1 1 DAL CA C 9.351 4.087 4.722 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qm1 1
. 15 . 899 . 1 1 1 DAL CB C 10.041 5.290 5.367 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qm1 1
. 15 . 900 . 1 1 1 DAL H2 H 11.190 3.492 3.947 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qm1 1
. 15 . 901 . 1 1 1 DAL H3 H 10.156 4.209 2.805 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qm1 1
. 15 . 902 . 1 1 1 DAL HA H 8.400 4.396 4.320 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qm1 1
. 15 . 903 . 1 1 1 DAL HB1 H 10.428 5.940 4.595 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qm1 1
. 15 . 904 . 1 1 1 DAL HB2 H 10.855 4.946 5.989 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qm1 1
. 15 . 905 . 1 1 1 DAL N N 10.205 3.564 3.618 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qm1 1
. 15 . 906 . 1 1 1 DAL O O 9.908 2.862 6.712 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qm1 1
. 15 . 907 . 1 1 2 PRO C C 6.092 3.369 4.716 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_6qm1 1
. 15 . 908 . 1 1 2 PRO CA C 7.163 2.316 4.455 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_6qm1 1
. 15 . 909 . 1 1 2 PRO CB C 6.561 0.917 4.350 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_6qm1 1
. 15 . 910 . 1 1 2 PRO CD C 7.747 1.072 6.475 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_6qm1 1
. 15 . 911 . 1 1 2 PRO CG C 6.594 0.372 5.742 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_6qm1 1
. 15 . 912 . 1 1 2 PRO HA H 7.693 2.553 3.550 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_6qm1 1
. 15 . 913 . 1 1 2 PRO HB2 H 5.544 0.971 3.987 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_6qm1 1
. 15 . 914 . 1 1 2 PRO HB3 H 7.162 0.297 3.699 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_6qm1 1
. 15 . 915 . 1 1 2 PRO HD2 H 7.416 1.438 7.437 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_6qm1 1
. 15 . 916 . 1 1 2 PRO HD3 H 8.584 0.402 6.591 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_6qm1 1
. 15 . 917 . 1 1 2 PRO HG2 H 5.656 0.580 6.240 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_6qm1 1
. 15 . 918 . 1 1 2 PRO HG3 H 6.773 -0.691 5.719 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_6qm1 1
. 15 . 919 . 1 1 2 PRO N N 8.111 2.191 5.592 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_6qm1 1
. 15 . 920 . 1 1 2 PRO O O 5.828 4.216 3.862 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_6qm1 1
. 15 . 921 . 1 1 3 GLY C C 4.855 5.657 5.607 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qm1 1
. 15 . 922 . 1 1 3 GLY CA C 4.471 4.318 6.231 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qm1 1
. 15 . 923 . 1 1 3 GLY H H 5.741 2.650 6.558 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qm1 1
. 15 . 924 . 1 1 3 GLY HA2 H 3.506 3.990 5.844 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qm1 1
. 15 . 925 . 1 1 3 GLY HA3 H 4.411 4.429 7.303 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qm1 1
. 15 . 926 . 1 1 3 GLY N N 5.489 3.333 5.900 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qm1 1
. 15 . 927 . 1 1 3 GLY O O 4.033 6.317 4.972 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qm1 1
. 15 . 928 . 1 1 4 CYS C C 5.967 7.574 3.873 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qm1 1
. 15 . 929 . 1 1 4 CYS CA C 6.618 7.295 5.225 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qm1 1
. 15 . 930 . 1 1 4 CYS CB C 8.139 7.220 5.058 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qm1 1
. 15 . 931 . 1 1 4 CYS H H 6.743 5.480 6.295 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qm1 1
. 15 . 932 . 1 1 4 CYS HA H 6.382 8.095 5.901 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qm1 1
. 15 . 933 . 1 1 4 CYS HB2 H 8.375 6.780 4.100 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qm1 1
. 15 . 934 . 1 1 4 CYS HB3 H 8.556 8.215 5.109 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qm1 1
. 15 . 935 . 1 1 4 CYS N N 6.124 6.046 5.784 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qm1 1
. 15 . 936 . 1 1 4 CYS O O 6.418 7.075 2.842 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qm1 1
. 15 . 937 . 1 1 4 CYS SG S 8.846 6.201 6.380 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qm1 1
. 15 . 938 . 1 1 5 LYS C C 4.721 10.030 2.086 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_6qm1 1
. 15 . 939 . 1 1 5 LYS CA C 4.202 8.712 2.654 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_6qm1 1
. 15 . 940 . 1 1 5 LYS CB C 2.699 8.824 2.925 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_6qm1 1
. 15 . 941 . 1 1 5 LYS CD C 0.610 7.453 2.926 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_6qm1 1
. 15 . 942 . 1 1 5 LYS CE C 0.712 6.294 3.920 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_6qm1 1
. 15 . 943 . 1 1 5 LYS CG C 1.965 7.664 2.248 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_6qm1 1
. 15 . 944 . 1 1 5 LYS H H 4.592 8.743 4.737 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_6qm1 1
. 15 . 945 . 1 1 5 LYS HA H 4.370 7.929 1.929 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_6qm1 1
. 15 . 946 . 1 1 5 LYS HB2 H 2.523 8.789 3.991 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_6qm1 1
. 15 . 947 . 1 1 5 LYS HB3 H 2.331 9.760 2.530 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_6qm1 1
. 15 . 948 . 1 1 5 LYS HD2 H 0.325 8.354 3.450 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_6qm1 1
. 15 . 949 . 1 1 5 LYS HD3 H -0.134 7.219 2.180 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_6qm1 1
. 15 . 950 . 1 1 5 LYS HE2 H 0.979 5.390 3.392 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_6qm1 1
. 15 . 951 . 1 1 5 LYS HE3 H 1.469 6.517 4.656 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_6qm1 1
. 15 . 952 . 1 1 5 LYS HG2 H 1.813 7.895 1.203 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_6qm1 1
. 15 . 953 . 1 1 5 LYS HG3 H 2.553 6.764 2.337 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_6qm1 1
. 15 . 954 . 1 1 5 LYS HZ1 H -0.568 6.532 5.545 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_6qm1 1
. 15 . 955 . 1 1 5 LYS HZ2 H -0.802 5.086 4.684 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_6qm1 1
. 15 . 956 . 1 1 5 LYS HZ3 H -1.350 6.559 4.040 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_6qm1 1
. 15 . 957 . 1 1 5 LYS N N 4.906 8.374 3.886 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_6qm1 1
. 15 . 958 . 1 1 5 LYS NZ N -0.601 6.104 4.599 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_6qm1 1
. 15 . 959 . 1 1 5 LYS O O 5.239 10.013 0.981 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_6qm1 1
. 15 . 960 . 1 1 5 LYS OXT O 4.592 11.036 2.764 . . . 1.0 . . . . . . . . . . . . A . 5 LYS OXT . . . . . . . . . rr_6qm1 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_6qm1
_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 6qm1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qm1 1
1 6qm1.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qm1 1
1 6qm1.mr . . XPLOR/CNS 3 distance NOE ambi 15 rr_6qm1 1
1 6qm1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qm1 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_6qm1
_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: '6qm1'" . . . . distance "general distance" . 15 rr_6qm1 1
2 "From CCPN project: '6qm1'" . . . . "dihedral angle" "Not applicable" . 3 rr_6qm1 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 6qm1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qm1 1
1 6qm1.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qm1 1
1 6qm1.mr . . XPLOR/CNS 3 distance NOE ambi 15 rr_6qm1 1
1 6qm1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qm1 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_6qm1
_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_6qm1 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS H H . . . . . 3.6 2.9 4.3 . . . . . A . 3 GLY H . . A . 4 CYS H . . . 3 . HN . . . . . 4 . HN . . rr_6qm1 1
2 1 . . 1 1 3 3 GLY H H . . . 1 1 2 2 PRO HA H . . . . . 3.4 2.7 4.1 . . . . . A . 3 GLY H . . A . 2 PRO HA . . . 3 . HN . . . . . 2 . HA . . rr_6qm1 1
3 1 . . 1 1 3 3 GLY H H . . . 1 1 2 2 PRO HB2 H . . . . . 3.9 3.1 4.7 . . . . . A . 3 GLY H . . A . 2 PRO HB2 . . . 3 . HN . . . . . 2 . HB2 . . rr_6qm1 1
4 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS HG2 H . . . . . 5.3 4.2 6.4 . . . . . A . 4 CYS HA . . A . 5 LYS HG2 . . . 4 . HA . . . . . 5 . HG# . . rr_6qm1 1
4 2 OR . 1 1 5 5 LYS HG3 H . . . 1 1 4 4 CYS HA H . . . . . 5.3 4.2 6.4 . . . . . A . 5 LYS HG3 . . A . 4 CYS HA . . . 5 . HG# . . . . . 4 . HA . . rr_6qm1 1
5 1 . . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS HB2 H . . . . . 5.3 4.2 6.4 . . . . . A . 4 CYS HA . . A . 5 LYS HB2 . . . 4 . HA . . . . . 5 . HB2 . . rr_6qm1 1
6 1 . . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 4.2 3.4 5.0 . . . . . A . 5 LYS H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_6qm1 1
7 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 GLY HA2 H . . . . . 4.7 3.8 5.6 . . . . . A . 4 CYS H . . A . 3 GLY HA2 . . . 4 . HN . . . . . 3 . HA2 . . rr_6qm1 1
8 1 . . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.7 3.0 4.4 . . . . . A . 5 LYS H . . A . 4 CYS HB3 . . . 5 . HN . . . . . 4 . HB1 . . rr_6qm1 1
9 1 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS HA H . . . . . 4.5 3.6 5.4 . . . . . A . 3 GLY H . . A . 4 CYS HA . . . 3 . HN . . . . . 4 . HA . . rr_6qm1 1
9 2 OR . 1 1 3 3 GLY H H . . . 1 1 1 1 DAL HA H . . . . . 4.5 3.6 5.4 . . . . . A . 3 GLY H . . A . 1 DAL HA . . . 3 . HN . . . . . 1 . HA . . rr_6qm1 1
10 1 . . 1 1 4 4 CYS H H . . . 1 1 2 2 PRO HA H . . . . . 4.5 3.6 5.4 . . . . . A . 4 CYS H . . A . 2 PRO HA . . . 4 . HN . . . . . 2 . HA . . rr_6qm1 1
11 1 OR . 1 1 2 2 PRO HA H . . . 1 1 4 4 CYS HA H . . . . . 3.2 2.6 3.8 . . . . . A . 2 PRO HA . . A . 4 CYS HA . . . 2 . HA . . . . . 4 . HA . . rr_6qm1 1
11 2 OR . 1 1 2 2 PRO HA H . . . 1 1 1 1 DAL HA H . . . . . 3.2 2.6 3.8 . . . . . A . 2 PRO HA . . A . 1 DAL HA . . . 2 . HA . . . . . 1 . HA . . rr_6qm1 1
12 1 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 PRO HB3 H . . . . . 4.4 3.5 5.3 . . . . . A . 3 GLY H . . A . 2 PRO HB3 . . . 3 . HN . . . . . 2 . HB1 . . rr_6qm1 1
12 2 OR . 1 1 3 3 GLY H H . . . 1 1 1 1 DAL HB1 H . . . . . 4.4 3.5 5.3 . . . . . A . 3 GLY H . . A . 1 DAL HB1 . . . 3 . HN . . . . . 1 . HB2 . . rr_6qm1 1
13 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 1 1 DAL HA H . . . . . 3.6 2.9 4.3 . . . . . A . 4 CYS HB3 . . A . 1 DAL HA . . . 4 . HB1 . . . . . 1 . HA . . rr_6qm1 1
14 1 OR . 1 1 4 4 CYS H H . . . 1 1 2 2 PRO HB3 H . . . . . 5.0 4.0 6.0 . . . . . A . 4 CYS H . . A . 2 PRO HB3 . . . 4 . HN . . . . . 2 . HB1 . . rr_6qm1 1
14 2 OR . 1 1 4 4 CYS H H . . . 1 1 1 1 DAL HB1 H . . . . . 5.0 4.0 6.0 . . . . . A . 4 CYS H . . A . 1 DAL HB1 . . . 4 . HN . . . . . 1 . HB2 . . rr_6qm1 1
15 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS H H . . . . . 3.2 2.6 3.8 . . . . . A . 4 CYS HA . . A . 5 LYS H . . . 4 . HA . . . . . 5 . HN . . rr_6qm1 1
15 2 OR . 1 1 5 5 LYS H H . . . 1 1 1 1 DAL HA H . . . . . 3.2 2.6 3.8 . . . . . A . 5 LYS H . . A . 1 DAL HA . . . 5 . HN . . . . . 1 . HA . . rr_6qm1 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_6qm1 1
2
;Interresidue
i-i+1
;
6 1 7 7 rr_6qm1 1
3 i-i+2 16 1 16 7 rr_6qm1 1
4 i-i+3 21 1 21 7 rr_6qm1 1
5 i-i+4 24 1 24 7 rr_6qm1 1
6
;echo=true
wrnlev=5
;
27 1 29 16 rr_6qm1 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: D_1292100264_mr_P1.xplor-nih.V4" 1 1 1 52 rr_6qm1 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_6qm1
_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_6qm1 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_6qm1 1
2 1 . . . rr_6qm1 1
3 1 . . . rr_6qm1 1
4 1 2 . OR rr_6qm1 1
4 2 . 3 . rr_6qm1 1
4 3 . . . rr_6qm1 1
5 1 . . . rr_6qm1 1
6 1 . . . rr_6qm1 1
7 1 . . . rr_6qm1 1
8 1 . . . rr_6qm1 1
9 1 2 . OR rr_6qm1 1
9 2 . 3 . rr_6qm1 1
9 3 . . . rr_6qm1 1
10 1 . . . rr_6qm1 1
11 1 2 . OR rr_6qm1 1
11 2 . 3 . rr_6qm1 1
11 3 . . . rr_6qm1 1
12 1 2 . OR rr_6qm1 1
12 2 . 3 . rr_6qm1 1
12 3 . . . rr_6qm1 1
13 1 . . . rr_6qm1 1
14 1 2 . OR rr_6qm1 1
14 2 . 3 . rr_6qm1 1
14 3 . . . rr_6qm1 1
15 1 2 . OR rr_6qm1 1
15 2 . 3 . rr_6qm1 1
15 3 . . . rr_6qm1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
1 1 . 2 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qm1 1
2 1 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
2 1 . 2 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qm1 1
3 1 . 1 . 1 1 2 2 PRO HB2 H . . . . 2 . HB2 rr_6qm1 1
3 1 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
4 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_6qm1 1
4 2 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
4 3 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_6qm1 1
4 3 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
5 1 . 1 . 1 1 5 5 LYS HB2 H . . . . 5 . HB2 rr_6qm1 1
5 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
6 1 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qm1 1
6 1 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 . HB2 rr_6qm1 1
7 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qm1 1
7 1 . 2 . 1 1 3 3 GLY HA2 H . . . . 3 . HA2 rr_6qm1 1
8 1 . 1 . 1 1 4 4 CYS HB3 H . . . . 4 . HB1 rr_6qm1 1
8 1 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qm1 1
9 2 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
9 2 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
9 3 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
9 3 . 2 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qm1 1
10 1 . 1 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qm1 1
10 1 . 2 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qm1 1
11 2 . 1 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qm1 1
11 2 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
11 3 . 1 . 1 1 2 2 PRO HA H . . . . 2 . HA rr_6qm1 1
11 3 . 2 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qm1 1
12 2 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 . HB1 rr_6qm1 1
12 2 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
12 3 . 1 . 1 1 1 1 DAL HB1 H . . . . 1 . HB2 rr_6qm1 1
12 3 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qm1 1
13 1 . 1 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qm1 1
13 1 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 . HB1 rr_6qm1 1
14 2 . 1 . 1 1 2 2 PRO HB3 H . . . . 2 . HB1 rr_6qm1 1
14 2 . 2 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qm1 1
14 3 . 1 . 1 1 1 1 DAL HB1 H . . . . 1 . HB2 rr_6qm1 1
14 3 . 2 . 1 1 4 4 CYS H H . . . . 4 . HN rr_6qm1 1
15 2 . 1 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qm1 1
15 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qm1 1
15 3 . 1 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qm1 1
15 3 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_6qm1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.6 2.9 4.3 rr_6qm1 1
2 1 . . . . . . 3.4 2.7 4.1 rr_6qm1 1
3 1 . . . . . . 3.9 3.1 4.7 rr_6qm1 1
4 2 . . . . . . 5.3 4.2 6.4 rr_6qm1 1
4 3 . . . . . . 5.3 4.2 6.4 rr_6qm1 1
5 1 . . . . . . 5.3 4.2 6.4 rr_6qm1 1
6 1 . . . . . . 4.2 3.4 5.0 rr_6qm1 1
7 1 . . . . . . 4.7 3.8 5.6 rr_6qm1 1
8 1 . . . . . . 3.7 3.0 4.4 rr_6qm1 1
9 2 . . . . . . 4.5 3.6 5.4 rr_6qm1 1
9 3 . . . . . . 4.5 3.6 5.4 rr_6qm1 1
10 1 . . . . . . 4.5 3.6 5.4 rr_6qm1 1
11 2 . . . . . . 3.2 2.6 3.8 rr_6qm1 1
11 3 . . . . . . 3.2 2.6 3.8 rr_6qm1 1
12 2 . . . . . . 4.4 3.5 5.3 rr_6qm1 1
12 3 . . . . . . 4.4 3.5 5.3 rr_6qm1 1
13 1 . . . . . . 3.6 2.9 4.3 rr_6qm1 1
14 2 . . . . . . 5.0 4.0 6.0 rr_6qm1 1
14 3 . . . . . . 5.0 4.0 6.0 rr_6qm1 1
15 2 . . . . . . 3.2 2.6 3.8 rr_6qm1 1
15 3 . . . . . . 3.2 2.6 3.8 rr_6qm1 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_6qm1 1
2
;Interresidue
i-i+1
;
6 1 7 7 rr_6qm1 1
3 i-i+2 16 1 16 7 rr_6qm1 1
4 i-i+3 21 1 21 7 rr_6qm1 1
5 i-i+4 24 1 24 7 rr_6qm1 1
6
;echo=true
wrnlev=5
;
27 1 29 16 rr_6qm1 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: D_1292100264_mr_P1.xplor-nih.V4" 1 1 1 52 rr_6qm1 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_6qm1
_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_6qm1 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 DAL C C . . 1 1 2 2 PRO N N . . 1 1 2 2 PRO CA C . . 1 1 2 2 PRO C C . -128.9 -8.9 . . . A . 1 DAL C . . A . 2 PRO N . . A . 2 PRO CA . . A . 2 PRO C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_6qm1 1
2 . . 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 . -138.2 -18.2 . . . 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_6qm1 1
3 . . 1 1 4 4 CYS C C . . 1 1 5 5 LYS N N . . 1 1 5 5 LYS CA C . . 1 1 5 5 LYS C C . -150.8 -30.8 . . . A . 4 CYS C . . A . 5 LYS N . . A . 5 LYS CA . . A . 5 LYS C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_6qm1 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;phi
predictions
;
3 1 4 13 rr_6qm1 1
2 calc 7 1 7 6 rr_6qm1 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: dihe.tbl" 1 1 1 29 rr_6qm1 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_6qm1
_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 01-FEB-19 6QM1 *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - NISIN RING B (LAN8,11) ANALOGUE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DAL-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 6QM1 0"
save_
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