NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641912 |
6qyr   |
34369 | cing | 3-converted-DOCR | STAR | entry | full | 9 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qyr
# This DOCR archive file contains, for PDB entry <6qyr>:
#
# - 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_6qyr
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qyr"
_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 6qyr"
_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 6qyr "Master copy" rr_6qyr
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qyr
_Assembly.ID 1
_Assembly.Name 6qyr
_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 462.5401
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 LEU GLY CYS THR" 1 $DAL_LEU_GLY_CYS_THR A . no . . . . . . rr_6qyr 1
stop_
save_
save_DAL_LEU_GLY_CYS_THR
_Entity.Sf_category entity
_Entity.Sf_framecode DAL_LEU_GLY_CYS_THR
_Entity.Entry_ID rr_6qyr
_Entity.ID 1
_Entity.Name DAL_LEU_GLY_CYS_THR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XLGCT
_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 462.5401
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_6qyr 1
2 . LEU . rr_6qyr 1
3 . GLY . rr_6qyr 1
4 . CYS . rr_6qyr 1
5 . THR . rr_6qyr 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_6qyr 1
. LEU 2 2 rr_6qyr 1
. GLY 3 3 rr_6qyr 1
. CYS 4 4 rr_6qyr 1
. THR 5 5 rr_6qyr 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_6qyr
_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_6qyr 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_6qyr
_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_6qyr
_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_6qyr 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_6qyr 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 4.431 5.942 4.822 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 1 . 2 . 1 1 1 DAL CA C 3.058 5.377 5.177 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 1 . 3 . 1 1 1 DAL CB C 3.206 3.970 5.759 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 1 . 4 . 1 1 1 DAL H2 H 2.957 7.139 6.281 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 1 . 5 . 1 1 1 DAL H3 H 2.360 5.774 7.097 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 1 . 6 . 1 1 1 DAL HA H 2.448 5.335 4.287 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 1 . 7 . 1 1 1 DAL HB1 H 3.495 3.285 4.976 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 1 . 8 . 1 1 1 DAL HB2 H 2.264 3.656 6.183 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 1 . 9 . 1 1 1 DAL N N 2.405 6.263 6.181 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 1 . 10 . 1 1 1 DAL O O 5.053 5.519 3.847 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 1 . 11 . 1 1 2 LEU C C 7.215 6.464 4.949 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 1 . 12 . 1 1 2 LEU CA C 6.195 7.515 5.377 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 1 . 13 . 1 1 2 LEU CB C 6.683 8.216 6.647 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 1 . 14 . 1 1 2 LEU CD1 C 5.051 10.086 6.363 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 1 . 15 . 1 1 2 LEU CD2 C 7.125 10.433 7.709 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 1 . 16 . 1 1 2 LEU CG C 6.533 9.730 6.485 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 1 . 17 . 1 1 2 LEU H H 4.355 7.196 6.379 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 1 . 18 . 1 1 2 LEU HA H 6.096 8.248 4.591 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 1 . 19 . 1 1 2 LEU HB2 H 6.095 7.883 7.490 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 1 . 20 . 1 1 2 LEU HB3 H 7.722 7.975 6.814 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 1 . 21 . 1 1 2 LEU HD11 H 4.878 11.061 6.793 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 1 . 22 . 1 1 2 LEU HD12 H 4.459 9.351 6.888 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 1 . 23 . 1 1 2 LEU HD13 H 4.768 10.098 5.321 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 1 . 24 . 1 1 2 LEU HD21 H 6.748 11.444 7.761 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 1 . 25 . 1 1 2 LEU HD22 H 8.202 10.456 7.625 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 1 . 26 . 1 1 2 LEU HD23 H 6.846 9.898 8.603 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 1 . 27 . 1 1 2 LEU HG H 7.054 10.050 5.595 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 1 . 28 . 1 1 2 LEU N N 4.895 6.899 5.617 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 1 . 29 . 1 1 2 LEU O O 7.464 6.276 3.758 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 1 . 30 . 1 1 3 GLY C C 8.167 3.363 5.704 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 1 . 31 . 1 1 3 GLY CA C 8.792 4.752 5.639 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 1 . 32 . 1 1 3 GLY H H 7.563 5.974 6.859 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 1 . 33 . 1 1 3 GLY HA2 H 9.196 4.916 4.650 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 1 . 34 . 1 1 3 GLY HA3 H 9.590 4.814 6.364 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 1 . 35 . 1 1 3 GLY N N 7.802 5.782 5.927 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 1 . 36 . 1 1 3 GLY O O 8.830 2.360 5.440 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 1 . 37 . 1 1 4 CYS C C 5.831 1.516 4.764 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 1 . 38 . 1 1 4 CYS CA C 6.178 2.043 6.153 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 1 . 39 . 1 1 4 CYS CB C 4.896 2.221 6.968 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 1 . 40 . 1 1 4 CYS H H 6.409 4.147 6.254 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 1 . 41 . 1 1 4 CYS HA H 6.812 1.325 6.652 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 1 . 42 . 1 1 4 CYS HB2 H 4.090 1.680 6.494 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 1 . 43 . 1 1 4 CYS HB3 H 5.049 1.840 7.966 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 1 . 44 . 1 1 4 CYS N N 6.886 3.314 6.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 1 . 45 . 1 1 4 CYS O O 5.797 2.271 3.794 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 1 . 46 . 1 1 4 CYS SG S 4.475 3.981 7.050 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 1 . 47 . 1 1 5 THR C C 3.780 -0.107 3.038 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 1 . 48 . 1 1 5 THR CA C 5.231 -0.404 3.402 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 1 . 49 . 1 1 5 THR CB C 5.440 -1.918 3.481 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 1 . 50 . 1 1 5 THR CG2 C 4.439 -2.522 4.466 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 1 . 51 . 1 1 5 THR H H 5.616 -0.339 5.485 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 1 . 52 . 1 1 5 THR HA H 5.875 -0.002 2.634 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 1 . 53 . 1 1 5 THR HB H 6.443 -2.126 3.820 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 1 . 54 . 1 1 5 THR HG1 H 5.961 -3.109 2.034 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 1 . 55 . 1 1 5 THR HG21 H 3.439 -2.425 4.068 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 1 . 56 . 1 1 5 THR HG22 H 4.503 -2.001 5.410 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 1 . 57 . 1 1 5 THR HG23 H 4.667 -3.567 4.615 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 1 . 58 . 1 1 5 THR N N 5.574 0.214 4.678 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 1 . 59 . 1 1 5 THR O O 3.473 -0.113 1.858 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 1 . 60 . 1 1 5 THR OXT O 2.998 0.123 3.945 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 1 . 61 . 1 1 5 THR OG1 O 5.246 -2.488 2.194 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 2 . 62 . 1 1 1 DAL C C 4.420 5.848 4.939 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 2 . 63 . 1 1 1 DAL CA C 3.214 5.410 5.765 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 2 . 64 . 1 1 1 DAL CB C 3.219 3.888 5.930 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 2 . 65 . 1 1 1 DAL H2 H 2.693 5.512 7.778 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 2 . 66 . 1 1 1 DAL H3 H 2.920 7.027 7.045 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 2 . 67 . 1 1 1 DAL HA H 2.307 5.715 5.265 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 2 . 68 . 1 1 1 DAL HB1 H 3.448 3.424 4.983 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 2 . 69 . 1 1 1 DAL HB2 H 2.248 3.559 6.268 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 2 . 70 . 1 1 1 DAL N N 3.277 6.053 7.109 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 2 . 71 . 1 1 1 DAL O O 4.741 5.235 3.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 2 . 72 . 1 1 2 LEU C C 7.435 6.465 4.864 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 2 . 73 . 1 1 2 LEU CA C 6.257 7.415 4.679 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 2 . 74 . 1 1 2 LEU CB C 6.630 8.804 5.206 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 2 . 75 . 1 1 2 LEU CD1 C 7.130 9.553 2.875 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 2 . 76 . 1 1 2 LEU CD2 C 4.831 9.827 3.812 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 2 . 77 . 1 1 2 LEU CG C 6.325 9.857 4.140 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 2 . 78 . 1 1 2 LEU H H 4.786 7.358 6.204 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 2 . 79 . 1 1 2 LEU HA H 6.030 7.489 3.626 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 2 . 80 . 1 1 2 LEU HB2 H 6.056 9.015 6.096 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 2 . 81 . 1 1 2 LEU HB3 H 7.683 8.828 5.443 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 2 . 82 . 1 1 2 LEU HD11 H 7.886 8.815 3.099 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 2 . 83 . 1 1 2 LEU HD12 H 7.602 10.458 2.522 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 2 . 84 . 1 1 2 LEU HD13 H 6.469 9.171 2.111 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 2 . 85 . 1 1 2 LEU HD21 H 4.289 9.399 4.642 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 2 . 86 . 1 1 2 LEU HD22 H 4.669 9.227 2.929 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 2 . 87 . 1 1 2 LEU HD23 H 4.482 10.833 3.633 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 2 . 88 . 1 1 2 LEU HG H 6.595 10.834 4.512 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 2 . 89 . 1 1 2 LEU N N 5.086 6.909 5.385 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 2 . 90 . 1 1 2 LEU O O 8.275 6.318 3.976 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 2 . 91 . 1 1 3 GLY C C 8.078 3.445 6.087 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 2 . 92 . 1 1 3 GLY CA C 8.553 4.873 6.316 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 2 . 93 . 1 1 3 GLY H H 6.780 5.970 6.688 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 2 . 94 . 1 1 3 GLY HA2 H 9.396 5.080 5.673 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 2 . 95 . 1 1 3 GLY HA3 H 8.853 4.985 7.348 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 2 . 96 . 1 1 3 GLY N N 7.481 5.817 6.022 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 2 . 97 . 1 1 3 GLY O O 8.864 2.499 6.144 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 2 . 98 . 1 1 4 CYS C C 5.881 1.812 4.103 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 2 . 99 . 1 1 4 CYS CA C 6.199 1.988 5.586 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 2 . 100 . 1 1 4 CYS CB C 4.924 1.826 6.418 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 2 . 101 . 1 1 4 CYS H H 6.208 4.094 5.793 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 2 . 102 . 1 1 4 CYS HA H 6.908 1.230 5.884 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 2 . 103 . 1 1 4 CYS HB2 H 4.119 1.480 5.786 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 2 . 104 . 1 1 4 CYS HB3 H 5.097 1.105 7.204 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 2 . 105 . 1 1 4 CYS N N 6.783 3.301 5.826 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 2 . 106 . 1 1 4 CYS O O 4.717 1.768 3.706 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 2 . 107 . 1 1 4 CYS SG S 4.473 3.419 7.150 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 2 . 108 . 1 1 5 THR C C 5.601 0.589 1.561 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 2 . 109 . 1 1 5 THR CA C 6.750 1.548 1.852 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 2 . 110 . 1 1 5 THR CB C 8.040 1.011 1.230 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 2 . 111 . 1 1 5 THR CG2 C 9.045 0.688 2.336 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 2 . 112 . 1 1 5 THR H H 7.832 1.760 3.661 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 2 . 113 . 1 1 5 THR HA H 6.524 2.508 1.413 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 2 . 114 . 1 1 5 THR HB H 8.460 1.755 0.573 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 2 . 115 . 1 1 5 THR HG1 H 7.821 0.044 -0.444 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 2 . 116 . 1 1 5 THR HG21 H 8.593 0.012 3.048 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 2 . 117 . 1 1 5 THR HG22 H 9.333 1.599 2.838 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 2 . 118 . 1 1 5 THR HG23 H 9.918 0.222 1.904 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 2 . 119 . 1 1 5 THR N N 6.926 1.716 3.290 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 2 . 120 . 1 1 5 THR O O 5.776 -0.599 1.781 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 2 . 121 . 1 1 5 THR OXT O 4.563 1.055 1.121 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 2 . 122 . 1 1 5 THR OG1 O 7.750 -0.167 0.489 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 3 . 123 . 1 1 1 DAL C C 4.361 5.988 4.796 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 3 . 124 . 1 1 1 DAL CA C 3.045 5.396 5.287 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 3 . 125 . 1 1 1 DAL CB C 3.259 3.953 5.751 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 3 . 126 . 1 1 1 DAL H2 H 2.821 7.201 6.299 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 3 . 127 . 1 1 1 DAL H3 H 2.922 5.845 7.316 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 3 . 128 . 1 1 1 DAL HA H 2.324 5.410 4.483 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 3 . 129 . 1 1 1 DAL HB1 H 3.590 3.352 4.917 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 3 . 130 . 1 1 1 DAL HB2 H 2.330 3.557 6.134 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 3 . 131 . 1 1 1 DAL N N 2.532 6.210 6.425 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 3 . 132 . 1 1 1 DAL O O 4.838 5.654 3.711 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 3 . 133 . 1 1 2 LEU C C 7.266 6.461 4.920 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 3 . 134 . 1 1 2 LEU CA C 6.204 7.509 5.238 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 3 . 135 . 1 1 2 LEU CB C 6.689 8.398 6.385 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 3 . 136 . 1 1 2 LEU CD1 C 5.336 9.259 8.304 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 3 . 137 . 1 1 2 LEU CD2 C 5.980 10.795 6.442 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 3 . 138 . 1 1 2 LEU CG C 5.573 9.362 6.796 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 3 . 139 . 1 1 2 LEU H H 4.515 7.102 6.453 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 3 . 140 . 1 1 2 LEU HA H 6.047 8.124 4.365 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 3 . 141 . 1 1 2 LEU HB2 H 6.961 7.780 7.229 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 3 . 142 . 1 1 2 LEU HB3 H 7.550 8.964 6.062 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 3 . 143 . 1 1 2 LEU HD11 H 4.413 9.758 8.559 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 3 . 144 . 1 1 2 LEU HD12 H 6.156 9.727 8.829 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 3 . 145 . 1 1 2 LEU HD13 H 5.274 8.219 8.588 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 3 . 146 . 1 1 2 LEU HD21 H 5.922 10.931 5.372 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 3 . 147 . 1 1 2 LEU HD22 H 6.991 10.974 6.774 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 3 . 148 . 1 1 2 LEU HD23 H 5.312 11.490 6.930 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 3 . 149 . 1 1 2 LEU HG H 4.663 9.104 6.272 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 3 . 150 . 1 1 2 LEU N N 4.943 6.872 5.601 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 3 . 151 . 1 1 2 LEU O O 7.627 6.263 3.761 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 3 . 152 . 1 1 3 GLY C C 8.192 3.373 5.912 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 3 . 153 . 1 1 3 GLY CA C 8.787 4.771 5.776 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 3 . 154 . 1 1 3 GLY H H 7.438 5.997 6.860 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 3 . 155 . 1 1 3 GLY HA2 H 9.225 4.878 4.793 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 3 . 156 . 1 1 3 GLY HA3 H 9.555 4.901 6.524 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 3 . 157 . 1 1 3 GLY N N 7.763 5.795 5.958 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 3 . 158 . 1 1 3 GLY O O 8.922 2.386 6.007 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 3 . 159 . 1 1 4 CYS C C 5.790 1.477 4.672 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 3 . 160 . 1 1 4 CYS CA C 6.187 2.011 6.045 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 3 . 161 . 1 1 4 CYS CB C 4.938 2.165 6.915 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 3 . 162 . 1 1 4 CYS H H 6.335 4.116 5.841 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 3 . 163 . 1 1 4 CYS HA H 6.854 1.306 6.516 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 3 . 164 . 1 1 4 CYS HB2 H 4.116 1.630 6.462 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 3 . 165 . 1 1 4 CYS HB3 H 5.132 1.762 7.898 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 3 . 166 . 1 1 4 CYS N N 6.866 3.296 5.919 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 3 . 167 . 1 1 4 CYS O O 5.126 0.446 4.566 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 3 . 168 . 1 1 4 CYS SG S 4.513 3.918 7.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 3 . 169 . 1 1 5 THR C C 4.521 1.076 2.221 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 3 . 170 . 1 1 5 THR CA C 5.877 1.770 2.264 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 3 . 171 . 1 1 5 THR CB C 6.956 0.821 1.738 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 3 . 172 . 1 1 5 THR CG2 C 8.341 1.398 2.034 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 3 . 173 . 1 1 5 THR H H 6.724 2.999 3.770 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 3 . 174 . 1 1 5 THR HA H 5.844 2.645 1.631 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 3 . 175 . 1 1 5 THR HB H 6.842 0.702 0.671 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 3 . 176 . 1 1 5 THR HG1 H 7.692 -0.720 2.671 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 3 . 177 . 1 1 5 THR HG21 H 8.871 1.558 1.107 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 3 . 178 . 1 1 5 THR HG22 H 8.896 0.706 2.651 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 3 . 179 . 1 1 5 THR HG23 H 8.236 2.338 2.556 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 3 . 180 . 1 1 5 THR N N 6.199 2.185 3.625 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 3 . 181 . 1 1 5 THR O O 4.499 -0.130 2.035 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 3 . 182 . 1 1 5 THR OXT O 3.522 1.759 2.375 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 3 . 183 . 1 1 5 THR OG1 O 6.822 -0.444 2.373 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 4 . 184 . 1 1 1 DAL C C 4.387 5.930 4.822 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 4 . 185 . 1 1 1 DAL CA C 3.023 5.384 5.230 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 4 . 186 . 1 1 1 DAL CB C 3.180 3.987 5.837 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 4 . 187 . 1 1 1 DAL H2 H 1.375 6.158 6.240 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 4 . 188 . 1 1 1 DAL H3 H 2.628 7.279 5.995 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 4 . 189 . 1 1 1 DAL HA H 2.385 5.328 4.360 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 4 . 190 . 1 1 1 DAL HB1 H 3.421 3.281 5.055 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 4 . 191 . 1 1 1 DAL HB2 H 2.255 3.696 6.312 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 4 . 192 . 1 1 1 DAL N N 2.408 6.293 6.237 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 4 . 193 . 1 1 1 DAL O O 4.961 5.506 3.820 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 4 . 194 . 1 1 2 LEU C C 7.211 6.397 4.938 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 4 . 195 . 1 1 2 LEU CA C 6.197 7.473 5.314 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 4 . 196 . 1 1 2 LEU CB C 6.701 8.246 6.536 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 4 . 197 . 1 1 2 LEU CD1 C 7.915 10.429 6.418 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 4 . 198 . 1 1 2 LEU CD2 C 9.131 8.361 7.114 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 4 . 199 . 1 1 2 LEU CG C 8.035 8.919 6.202 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 4 . 200 . 1 1 2 LEU H H 4.396 7.173 6.391 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 4 . 201 . 1 1 2 LEU HA H 6.090 8.158 4.488 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 4 . 202 . 1 1 2 LEU HB2 H 5.974 8.998 6.808 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 4 . 203 . 1 1 2 LEU HB3 H 6.839 7.564 7.361 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 4 . 204 . 1 1 2 LEU HD11 H 8.903 10.861 6.493 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 4 . 205 . 1 1 2 LEU HD12 H 7.369 10.620 7.329 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 4 . 206 . 1 1 2 LEU HD13 H 7.392 10.871 5.584 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 4 . 207 . 1 1 2 LEU HD21 H 10.100 8.603 6.702 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 4 . 208 . 1 1 2 LEU HD22 H 9.028 7.288 7.187 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 4 . 209 . 1 1 2 LEU HD23 H 9.038 8.800 8.097 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 4 . 210 . 1 1 2 LEU HG H 8.290 8.724 5.170 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 4 . 211 . 1 1 2 LEU N N 4.899 6.874 5.605 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 4 . 212 . 1 1 2 LEU O O 7.419 6.113 3.758 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 4 . 213 . 1 1 3 GLY C C 8.204 3.375 5.831 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 4 . 214 . 1 1 3 GLY CA C 8.830 4.760 5.709 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 4 . 215 . 1 1 3 GLY H H 7.633 6.071 6.866 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 4 . 216 . 1 1 3 GLY HA2 H 9.240 4.880 4.715 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 4 . 217 . 1 1 3 GLY HA3 H 9.624 4.853 6.434 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 4 . 218 . 1 1 3 GLY N N 7.839 5.803 5.947 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 4 . 219 . 1 1 3 GLY O O 8.903 2.362 5.801 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 4 . 220 . 1 1 4 CYS C C 5.756 1.552 4.721 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 4 . 221 . 1 1 4 CYS CA C 6.172 2.070 6.093 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 4 . 222 . 1 1 4 CYS CB C 4.933 2.251 6.971 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 4 . 223 . 1 1 4 CYS H H 6.376 4.177 5.984 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 4 . 224 . 1 1 4 CYS HA H 6.825 1.347 6.557 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 4 . 225 . 1 1 4 CYS HB2 H 4.106 1.705 6.541 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 4 . 226 . 1 1 4 CYS HB3 H 5.136 1.876 7.963 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 4 . 227 . 1 1 4 CYS N N 6.883 3.339 5.967 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 4 . 228 . 1 1 4 CYS O O 5.256 2.307 3.886 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 4 . 229 . 1 1 4 CYS SG S 4.510 4.008 7.063 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 4 . 230 . 1 1 5 THR C C 4.292 -1.112 3.339 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 4 . 231 . 1 1 5 THR CA C 5.608 -0.350 3.218 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 4 . 232 . 1 1 5 THR CB C 6.714 -1.307 2.768 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 4 . 233 . 1 1 5 THR CG2 C 8.072 -0.772 3.226 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 4 . 234 . 1 1 5 THR H H 6.368 -0.294 5.195 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 4 . 235 . 1 1 5 THR HA H 5.496 0.427 2.477 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 4 . 236 . 1 1 5 THR HB H 6.709 -1.383 1.690 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 4 . 237 . 1 1 5 THR HG1 H 6.721 -3.249 2.679 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 4 . 238 . 1 1 5 THR HG21 H 8.071 -0.666 4.302 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 4 . 239 . 1 1 5 THR HG22 H 8.254 0.189 2.769 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 4 . 240 . 1 1 5 THR HG23 H 8.849 -1.463 2.934 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 4 . 241 . 1 1 5 THR N N 5.966 0.259 4.494 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 4 . 242 . 1 1 5 THR O O 4.310 -2.203 3.884 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 4 . 243 . 1 1 5 THR OXT O 3.286 -0.594 2.883 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 4 . 244 . 1 1 5 THR OG1 O 6.490 -2.589 3.336 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 5 . 245 . 1 1 1 DAL C C 4.480 5.900 4.858 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 5 . 246 . 1 1 1 DAL CA C 3.138 5.323 5.294 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 5 . 247 . 1 1 1 DAL CB C 3.313 3.868 5.732 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 5 . 248 . 1 1 1 DAL H2 H 2.018 5.508 7.040 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 5 . 249 . 1 1 1 DAL H3 H 2.024 6.902 6.069 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 5 . 250 . 1 1 1 DAL HA H 2.443 5.368 4.468 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 5 . 251 . 1 1 1 DAL HB1 H 3.760 3.301 4.929 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 5 . 252 . 1 1 1 DAL HB2 H 2.349 3.446 5.977 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 5 . 253 . 1 1 1 DAL N N 2.603 6.120 6.434 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 5 . 254 . 1 1 1 DAL O O 5.087 5.427 3.898 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 5 . 255 . 1 1 2 LEU C C 7.267 6.507 4.920 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 5 . 256 . 1 1 2 LEU CA C 6.210 7.558 5.247 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 5 . 257 . 1 1 2 LEU CB C 6.683 8.411 6.427 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 5 . 258 . 1 1 2 LEU CD1 C 7.072 10.430 5.005 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 5 . 259 . 1 1 2 LEU CD2 C 4.788 9.948 5.899 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 5 . 260 . 1 1 2 LEU CG C 6.288 9.869 6.193 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 5 . 261 . 1 1 2 LEU H H 4.411 7.260 6.326 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 5 . 262 . 1 1 2 LEU HA H 6.075 8.198 4.388 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 5 . 263 . 1 1 2 LEU HB2 H 6.224 8.052 7.336 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 5 . 264 . 1 1 2 LEU HB3 H 7.758 8.341 6.514 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 5 . 265 . 1 1 2 LEU HD11 H 7.843 9.729 4.721 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 5 . 266 . 1 1 2 LEU HD12 H 7.524 11.370 5.283 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 5 . 267 . 1 1 2 LEU HD13 H 6.402 10.585 4.173 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 5 . 268 . 1 1 2 LEU HD21 H 4.390 10.871 6.295 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 5 . 269 . 1 1 2 LEU HD22 H 4.286 9.111 6.360 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 5 . 270 . 1 1 2 LEU HD23 H 4.630 9.919 4.830 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 5 . 271 . 1 1 2 LEU HG H 6.513 10.449 7.078 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 5 . 272 . 1 1 2 LEU N N 4.937 6.925 5.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 5 . 273 . 1 1 2 LEU O O 7.647 6.335 3.762 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 5 . 274 . 1 1 3 GLY C C 8.106 3.392 5.670 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 5 . 275 . 1 1 3 GLY CA C 8.746 4.773 5.757 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 5 . 276 . 1 1 3 GLY H H 7.393 5.986 6.849 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 5 . 277 . 1 1 3 GLY HA2 H 9.289 4.973 4.844 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 5 . 278 . 1 1 3 GLY HA3 H 9.433 4.791 6.590 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 5 . 279 . 1 1 3 GLY N N 7.734 5.806 5.948 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 5 . 280 . 1 1 3 GLY O O 8.739 2.430 5.236 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 5 . 281 . 1 1 4 CYS C C 5.651 1.727 4.631 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 5 . 282 . 1 1 4 CYS CA C 6.129 2.033 6.047 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 5 . 283 . 1 1 4 CYS CB C 4.928 2.085 6.994 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 5 . 284 . 1 1 4 CYS H H 6.391 4.103 6.420 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 5 . 285 . 1 1 4 CYS HA H 6.793 1.246 6.371 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 5 . 286 . 1 1 4 CYS HB2 H 4.120 1.497 6.582 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 5 . 287 . 1 1 4 CYS HB3 H 5.210 1.685 7.956 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 5 . 288 . 1 1 4 CYS N N 6.846 3.303 6.084 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 5 . 289 . 1 1 4 CYS O O 4.971 0.728 4.397 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 5 . 290 . 1 1 4 CYS SG S 4.387 3.801 7.188 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 5 . 291 . 1 1 5 THR C C 4.154 1.978 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 5 . 292 . 1 1 5 THR CA C 5.616 2.406 2.299 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 5 . 293 . 1 1 5 THR CB C 6.500 1.343 1.643 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 5 . 294 . 1 1 5 THR CG2 C 6.481 1.527 0.124 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 5 . 295 . 1 1 5 THR H H 6.556 3.371 3.934 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 5 . 296 . 1 1 5 THR HA H 5.741 3.337 1.770 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 5 . 297 . 1 1 5 THR HB H 6.125 0.361 1.886 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 5 . 298 . 1 1 5 THR HG1 H 8.394 1.695 1.376 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 5 . 299 . 1 1 5 THR HG21 H 6.818 2.523 -0.122 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 5 . 300 . 1 1 5 THR HG22 H 5.476 1.385 -0.243 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 5 . 301 . 1 1 5 THR HG23 H 7.139 0.803 -0.334 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 5 . 302 . 1 1 5 THR N N 6.013 2.593 3.690 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 5 . 303 . 1 1 5 THR O O 3.311 2.719 2.693 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 5 . 304 . 1 1 5 THR OXT O 3.898 0.917 1.667 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 5 . 305 . 1 1 5 THR OG1 O 7.831 1.474 2.122 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 6 . 306 . 1 1 1 DAL C C 4.462 5.902 4.919 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 6 . 307 . 1 1 1 DAL CA C 3.242 5.408 5.687 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 6 . 308 . 1 1 1 DAL CB C 3.250 3.879 5.747 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 6 . 309 . 1 1 1 DAL H2 H 3.589 6.947 7.046 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 6 . 310 . 1 1 1 DAL H3 H 3.931 5.397 7.651 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 6 . 311 . 1 1 1 DAL HA H 2.344 5.743 5.189 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 6 . 312 . 1 1 1 DAL HB1 H 3.597 3.483 4.804 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 6 . 313 . 1 1 1 DAL HB2 H 2.250 3.521 5.941 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 6 . 314 . 1 1 1 DAL N N 3.273 5.956 7.073 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 6 . 315 . 1 1 1 DAL O O 4.844 5.322 3.903 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 6 . 316 . 1 1 2 LEU C C 7.435 6.582 4.897 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 6 . 317 . 1 1 2 LEU CA C 6.250 7.533 4.760 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 6 . 318 . 1 1 2 LEU CB C 6.608 8.884 5.383 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 6 . 319 . 1 1 2 LEU CD1 C 4.283 9.658 5.915 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 6 . 320 . 1 1 2 LEU CD2 C 6.051 11.318 5.311 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 6 . 321 . 1 1 2 LEU CG C 5.519 9.908 5.047 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 6 . 322 . 1 1 2 LEU H H 4.726 7.397 6.225 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 6 . 323 . 1 1 2 LEU HA H 6.037 7.677 3.711 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 6 . 324 . 1 1 2 LEU HB2 H 6.686 8.777 6.455 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 6 . 325 . 1 1 2 LEU HB3 H 7.552 9.224 4.985 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 6 . 326 . 1 1 2 LEU HD11 H 3.513 9.191 5.319 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 6 . 327 . 1 1 2 LEU HD12 H 3.918 10.599 6.300 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 6 . 328 . 1 1 2 LEU HD13 H 4.542 9.010 6.740 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 6 . 329 . 1 1 2 LEU HD21 H 5.237 11.959 5.614 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 6 . 330 . 1 1 2 LEU HD22 H 6.500 11.708 4.410 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 6 . 331 . 1 1 2 LEU HD23 H 6.792 11.281 6.095 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 6 . 332 . 1 1 2 LEU HG H 5.249 9.813 4.004 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 6 . 333 . 1 1 2 LEU N N 5.072 6.976 5.411 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 6 . 334 . 1 1 2 LEU O O 8.321 6.549 4.043 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 6 . 335 . 1 1 3 GLY C C 8.069 3.432 5.923 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 6 . 336 . 1 1 3 GLY CA C 8.521 4.858 6.219 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 6 . 337 . 1 1 3 GLY H H 6.708 5.878 6.624 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 6 . 338 . 1 1 3 GLY HA2 H 9.360 5.104 5.585 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 6 . 339 . 1 1 3 GLY HA3 H 8.826 4.923 7.253 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 6 . 340 . 1 1 3 GLY N N 7.441 5.809 5.978 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 6 . 341 . 1 1 3 GLY O O 8.890 2.548 5.681 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 6 . 342 . 1 1 4 CYS C C 6.103 1.643 4.177 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 6 . 343 . 1 1 4 CYS CA C 6.210 1.889 5.680 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 6 . 344 . 1 1 4 CYS CB C 4.829 1.753 6.325 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 6 . 345 . 1 1 4 CYS H H 6.149 3.956 6.147 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 6 . 346 . 1 1 4 CYS HA H 6.867 1.147 6.108 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 6 . 347 . 1 1 4 CYS HB2 H 4.104 1.478 5.574 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 6 . 348 . 1 1 4 CYS HB3 H 4.863 0.991 7.089 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 6 . 349 . 1 1 4 CYS N N 6.757 3.214 5.946 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 6 . 350 . 1 1 4 CYS O O 5.884 0.514 3.738 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 6 . 351 . 1 1 4 CYS SG S 4.354 3.332 7.071 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 6 . 352 . 1 1 5 THR C C 6.350 3.956 1.286 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 6 . 353 . 1 1 5 THR CA C 6.185 2.589 1.942 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 6 . 354 . 1 1 5 THR CB C 4.839 1.985 1.534 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 6 . 355 . 1 1 5 THR CG2 C 3.705 2.774 2.188 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 6 . 356 . 1 1 5 THR H H 6.437 3.580 3.799 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 6 . 357 . 1 1 5 THR HA H 6.976 1.938 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 6 . 358 . 1 1 5 THR HB H 4.792 0.957 1.861 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 6 . 359 . 1 1 5 THR HG1 H 3.847 2.420 -0.081 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 6 . 360 . 1 1 5 THR HG21 H 2.929 2.961 1.460 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 6 . 361 . 1 1 5 THR HG22 H 4.086 3.715 2.557 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 6 . 362 . 1 1 5 THR HG23 H 3.296 2.204 3.010 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 6 . 363 . 1 1 5 THR N N 6.263 2.704 3.394 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 6 . 364 . 1 1 5 THR O O 6.768 3.994 0.141 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 6 . 365 . 1 1 5 THR OXT O 6.057 4.943 1.939 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 6 . 366 . 1 1 5 THR OG1 O 4.706 2.040 0.121 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 7 . 367 . 1 1 1 DAL C C 4.450 5.862 4.929 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 7 . 368 . 1 1 1 DAL CA C 3.219 5.377 5.687 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 7 . 369 . 1 1 1 DAL CB C 3.306 3.865 5.891 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 7 . 370 . 1 1 1 DAL H2 H 3.013 5.336 7.758 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 7 . 371 . 1 1 1 DAL H3 H 2.367 6.726 7.024 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 7 . 372 . 1 1 1 DAL HA H 2.331 5.613 5.121 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 7 . 373 . 1 1 1 DAL HB1 H 3.627 3.396 4.973 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 7 . 374 . 1 1 1 DAL HB2 H 2.336 3.482 6.172 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 7 . 375 . 1 1 1 DAL N N 3.157 6.050 7.014 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 7 . 376 . 1 1 1 DAL O O 4.839 5.272 3.924 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 7 . 377 . 1 1 2 LEU C C 7.406 6.492 4.867 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 7 . 378 . 1 1 2 LEU CA C 6.248 7.481 4.773 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 7 . 379 . 1 1 2 LEU CB C 6.656 8.808 5.426 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 7 . 380 . 1 1 2 LEU CD1 C 5.946 8.304 7.774 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 7 . 381 . 1 1 2 LEU CD2 C 5.860 10.645 6.916 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 7 . 382 . 1 1 2 LEU CG C 5.673 9.173 6.543 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 7 . 383 . 1 1 2 LEU H H 4.708 7.362 6.225 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 7 . 384 . 1 1 2 LEU HA H 6.028 7.660 3.732 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 7 . 385 . 1 1 2 LEU HB2 H 7.650 8.714 5.842 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 7 . 386 . 1 1 2 LEU HB3 H 6.654 9.589 4.680 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 7 . 387 . 1 1 2 LEU HD11 H 5.316 8.626 8.589 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 7 . 388 . 1 1 2 LEU HD12 H 6.982 8.402 8.061 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 7 . 389 . 1 1 2 LEU HD13 H 5.735 7.271 7.543 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 7 . 390 . 1 1 2 LEU HD21 H 5.315 10.857 7.825 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 7 . 391 . 1 1 2 LEU HD22 H 5.485 11.269 6.119 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 7 . 392 . 1 1 2 LEU HD23 H 6.909 10.847 7.069 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 7 . 393 . 1 1 2 LEU HG H 4.662 9.012 6.202 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 7 . 394 . 1 1 2 LEU N N 5.060 6.935 5.418 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 7 . 395 . 1 1 2 LEU O O 8.177 6.334 3.920 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 7 . 396 . 1 1 3 GLY C C 8.052 3.429 6.135 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 7 . 397 . 1 1 3 GLY CA C 8.586 4.856 6.217 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 7 . 398 . 1 1 3 GLY H H 6.875 5.993 6.732 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 7 . 399 . 1 1 3 GLY HA2 H 9.343 4.996 5.459 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 7 . 400 . 1 1 3 GLY HA3 H 9.025 5.012 7.191 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 7 . 401 . 1 1 3 GLY N N 7.519 5.827 6.012 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 7 . 402 . 1 1 3 GLY O O 8.780 2.471 6.396 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 7 . 403 . 1 1 4 CYS C C 5.698 1.701 4.243 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 7 . 404 . 1 1 4 CYS CA C 6.169 1.973 5.669 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 7 . 405 . 1 1 4 CYS CB C 4.984 1.860 6.628 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 7 . 406 . 1 1 4 CYS H H 6.244 4.091 5.580 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 7 . 407 . 1 1 4 CYS HA H 6.905 1.231 5.940 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 7 . 408 . 1 1 4 CYS HB2 H 4.150 1.401 6.116 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 7 . 409 . 1 1 4 CYS HB3 H 5.263 1.252 7.475 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 7 . 410 . 1 1 4 CYS N N 6.779 3.293 5.775 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 7 . 411 . 1 1 4 CYS O O 4.946 0.756 3.999 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 7 . 412 . 1 1 4 CYS SG S 4.504 3.508 7.200 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 7 . 413 . 1 1 5 THR C C 6.553 1.231 1.263 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 7 . 414 . 1 1 5 THR CA C 5.753 2.359 1.908 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 7 . 415 . 1 1 5 THR CB C 5.981 3.659 1.131 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 7 . 416 . 1 1 5 THR CG2 C 5.298 3.567 -0.234 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 7 . 417 . 1 1 5 THR H H 6.741 3.265 3.551 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 7 . 418 . 1 1 5 THR HA H 4.703 2.109 1.868 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 7 . 419 . 1 1 5 THR HB H 7.039 3.812 0.989 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 7 . 420 . 1 1 5 THR HG1 H 4.746 4.411 2.433 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 7 . 421 . 1 1 5 THR HG21 H 4.643 4.415 -0.367 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 7 . 422 . 1 1 5 THR HG22 H 4.721 2.655 -0.288 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 7 . 423 . 1 1 5 THR HG23 H 6.047 3.564 -1.013 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 7 . 424 . 1 1 5 THR N N 6.142 2.530 3.303 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 7 . 425 . 1 1 5 THR O O 7.752 1.396 1.111 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 7 . 426 . 1 1 5 THR OXT O 5.955 0.221 0.933 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 7 . 427 . 1 1 5 THR OG1 O 5.438 4.750 1.861 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 8 . 428 . 1 1 1 DAL C C 4.418 5.902 4.880 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 8 . 429 . 1 1 1 DAL CA C 3.187 5.363 5.600 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 8 . 430 . 1 1 1 DAL CB C 3.327 3.857 5.823 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 8 . 431 . 1 1 1 DAL H2 H 3.537 5.490 7.649 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 8 . 432 . 1 1 1 DAL H3 H 2.039 6.129 7.161 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 8 . 433 . 1 1 1 DAL HA H 2.308 5.557 5.002 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 8 . 434 . 1 1 1 DAL HB1 H 3.718 3.395 4.928 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 8 . 435 . 1 1 1 DAL HB2 H 2.360 3.434 6.052 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 8 . 436 . 1 1 1 DAL N N 3.047 6.046 6.918 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 8 . 437 . 1 1 1 DAL O O 4.788 5.413 3.813 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 8 . 438 . 1 1 2 LEU C C 7.395 6.514 4.878 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 8 . 439 . 1 1 2 LEU CA C 6.240 7.508 4.876 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 8 . 440 . 1 1 2 LEU CB C 6.641 8.764 5.654 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 8 . 441 . 1 1 2 LEU CD1 C 8.004 8.610 7.746 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 8 . 442 . 1 1 2 LEU CD2 C 5.660 9.467 7.845 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 8 . 443 . 1 1 2 LEU CG C 6.598 8.472 7.157 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 8 . 444 . 1 1 2 LEU H H 4.709 7.261 6.321 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 8 . 445 . 1 1 2 LEU HA H 6.019 7.787 3.856 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 8 . 446 . 1 1 2 LEU HB2 H 7.642 9.056 5.371 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 8 . 447 . 1 1 2 LEU HB3 H 5.954 9.564 5.425 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 8 . 448 . 1 1 2 LEU HD11 H 7.944 8.609 8.824 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 8 . 449 . 1 1 2 LEU HD12 H 8.444 9.538 7.411 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 8 . 450 . 1 1 2 LEU HD13 H 8.615 7.782 7.418 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 8 . 451 . 1 1 2 LEU HD21 H 6.038 10.470 7.710 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 8 . 452 . 1 1 2 LEU HD22 H 5.607 9.242 8.900 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 8 . 453 . 1 1 2 LEU HD23 H 4.675 9.393 7.411 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 8 . 454 . 1 1 2 LEU HG H 6.239 7.465 7.319 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 8 . 455 . 1 1 2 LEU N N 5.049 6.911 5.471 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 8 . 456 . 1 1 2 LEU O O 8.115 6.382 3.888 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 8 . 457 . 1 1 3 GLY C C 8.099 3.413 6.013 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 8 . 458 . 1 1 3 GLY CA C 8.640 4.836 6.118 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 8 . 459 . 1 1 3 GLY H H 6.963 5.963 6.753 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 8 . 460 . 1 1 3 GLY HA2 H 9.362 5.000 5.330 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 8 . 461 . 1 1 3 GLY HA3 H 9.125 4.958 7.074 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 8 . 462 . 1 1 3 GLY N N 7.567 5.816 5.996 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 8 . 463 . 1 1 3 GLY O O 8.858 2.445 6.068 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 8 . 464 . 1 1 4 CYS C C 5.679 1.732 4.325 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 8 . 465 . 1 1 4 CYS CA C 6.157 1.980 5.752 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 8 . 466 . 1 1 4 CYS CB C 4.969 1.887 6.712 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 8 . 467 . 1 1 4 CYS H H 6.227 4.098 5.825 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 8 . 468 . 1 1 4 CYS HA H 6.879 1.222 6.016 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 8 . 469 . 1 1 4 CYS HB2 H 4.147 1.388 6.219 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 8 . 470 . 1 1 4 CYS HB3 H 5.257 1.325 7.588 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 8 . 471 . 1 1 4 CYS N N 6.784 3.292 5.862 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 8 . 472 . 1 1 4 CYS O O 5.660 2.645 3.499 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 8 . 473 . 1 1 4 CYS SG S 4.458 3.552 7.202 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 8 . 474 . 1 1 5 THR C C 3.350 0.518 2.550 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 8 . 475 . 1 1 5 THR CA C 4.817 0.135 2.709 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 8 . 476 . 1 1 5 THR CB C 4.984 -1.368 2.476 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 8 . 477 . 1 1 5 THR CG2 C 6.459 -1.748 2.617 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 8 . 478 . 1 1 5 THR H H 5.331 -0.196 4.739 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 8 . 479 . 1 1 5 THR HA H 5.401 0.669 1.975 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 8 . 480 . 1 1 5 THR HB H 4.647 -1.618 1.483 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 8 . 481 . 1 1 5 THR HG1 H 4.741 -2.177 4.229 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 8 . 482 . 1 1 5 THR HG21 H 6.537 -2.794 2.879 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 8 . 483 . 1 1 5 THR HG22 H 6.912 -1.149 3.392 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 8 . 484 . 1 1 5 THR HG23 H 6.968 -1.572 1.681 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 8 . 485 . 1 1 5 THR N N 5.295 0.490 4.041 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 8 . 486 . 1 1 5 THR O O 2.988 0.964 1.473 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 8 . 487 . 1 1 5 THR OXT O 2.610 0.360 3.506 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 8 . 488 . 1 1 5 THR OG1 O 4.214 -2.083 3.432 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 9 . 489 . 1 1 1 DAL C C 4.211 6.157 4.748 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 9 . 490 . 1 1 1 DAL CA C 2.993 5.445 5.325 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 9 . 491 . 1 1 1 DAL CB C 3.327 3.975 5.586 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 9 . 492 . 1 1 1 DAL H2 H 3.449 6.320 7.159 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 9 . 493 . 1 1 1 DAL H3 H 1.989 5.452 7.149 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 9 . 494 . 1 1 1 DAL HA H 2.175 5.507 4.623 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 9 . 495 . 1 1 1 DAL HB1 H 3.783 3.546 4.705 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 9 . 496 . 1 1 1 DAL HB2 H 2.421 3.435 5.822 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 9 . 497 . 1 1 1 DAL N N 2.596 6.096 6.606 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 9 . 498 . 1 1 1 DAL O O 4.428 6.150 3.536 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 9 . 499 . 1 1 2 LEU C C 7.329 6.477 4.918 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 9 . 500 . 1 1 2 LEU CA C 6.204 7.471 5.181 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 9 . 501 . 1 1 2 LEU CB C 6.648 8.479 6.246 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 9 . 502 . 1 1 2 LEU CD1 C 5.870 9.928 8.128 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 9 . 503 . 1 1 2 LEU CD2 C 4.622 9.921 5.961 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 9 . 504 . 1 1 2 LEU CG C 5.419 9.062 6.948 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 9 . 505 . 1 1 2 LEU H H 4.788 6.735 6.576 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 9 . 506 . 1 1 2 LEU HA H 5.983 8.001 4.267 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 9 . 507 . 1 1 2 LEU HB2 H 7.276 7.981 6.972 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 9 . 508 . 1 1 2 LEU HB3 H 7.204 9.276 5.776 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 9 . 509 . 1 1 2 LEU HD11 H 6.265 10.863 7.758 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 9 . 510 . 1 1 2 LEU HD12 H 6.634 9.408 8.684 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 9 . 511 . 1 1 2 LEU HD13 H 5.026 10.125 8.773 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 9 . 512 . 1 1 2 LEU HD21 H 5.077 9.864 4.983 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 9 . 513 . 1 1 2 LEU HD22 H 4.619 10.948 6.296 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 9 . 514 . 1 1 2 LEU HD23 H 3.606 9.558 5.907 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 9 . 515 . 1 1 2 LEU HG H 4.797 8.258 7.312 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 9 . 516 . 1 1 2 LEU N N 5.006 6.766 5.621 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 9 . 517 . 1 1 2 LEU O O 7.807 6.348 3.790 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 9 . 518 . 1 1 3 GLY C C 8.220 3.369 5.848 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 9 . 519 . 1 1 3 GLY CA C 8.801 4.779 5.836 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 9 . 520 . 1 1 3 GLY H H 7.316 5.910 6.836 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 9 . 521 . 1 1 3 GLY HA2 H 9.329 4.941 4.907 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 9 . 522 . 1 1 3 GLY HA3 H 9.489 4.884 6.661 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 9 . 523 . 1 1 3 GLY N N 7.739 5.769 5.964 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 9 . 524 . 1 1 3 GLY O O 8.951 2.384 5.746 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 9 . 525 . 1 1 4 CYS C C 5.956 1.497 4.585 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 9 . 526 . 1 1 4 CYS CA C 6.225 1.992 6.003 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 9 . 527 . 1 1 4 CYS CB C 4.903 2.107 6.765 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 9 . 528 . 1 1 4 CYS H H 6.370 4.105 6.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 9 . 529 . 1 1 4 CYS HA H 6.855 1.278 6.508 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 9 . 530 . 1 1 4 CYS HB2 H 4.121 1.612 6.208 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 9 . 531 . 1 1 4 CYS HB3 H 5.003 1.642 7.735 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 9 . 532 . 1 1 4 CYS N N 6.899 3.283 5.976 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 9 . 533 . 1 1 4 CYS O O 5.548 2.266 3.716 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 9 . 534 . 1 1 4 CYS SG S 4.478 3.854 6.976 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 9 . 535 . 1 1 5 THR C C 4.494 -0.298 2.661 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 9 . 536 . 1 1 5 THR CA C 5.968 -0.380 3.045 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 9 . 537 . 1 1 5 THR CB C 6.419 -1.844 3.046 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 9 . 538 . 1 1 5 THR CG2 C 7.669 -1.999 2.178 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 9 . 539 . 1 1 5 THR H H 6.513 -0.358 5.092 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 9 . 540 . 1 1 5 THR HA H 6.550 0.164 2.316 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 9 . 541 . 1 1 5 THR HB H 5.631 -2.464 2.650 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 9 . 542 . 1 1 5 THR HG1 H 5.998 -1.942 4.943 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 9 . 543 . 1 1 5 THR HG21 H 7.962 -3.037 2.151 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 9 . 544 . 1 1 5 THR HG22 H 8.471 -1.408 2.595 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 9 . 545 . 1 1 5 THR HG23 H 7.455 -1.658 1.176 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 9 . 546 . 1 1 5 THR N N 6.188 0.208 4.361 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 9 . 547 . 1 1 5 THR O O 3.737 -1.141 3.112 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 9 . 548 . 1 1 5 THR OXT O 4.145 0.607 1.921 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 9 . 549 . 1 1 5 THR OG1 O 6.713 -2.244 4.378 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 10 . 550 . 1 1 1 DAL C C 4.461 5.904 4.898 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 10 . 551 . 1 1 1 DAL CA C 3.220 5.381 5.616 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 10 . 552 . 1 1 1 DAL CB C 3.293 3.859 5.741 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 10 . 553 . 1 1 1 DAL H2 H 2.318 5.605 7.478 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 10 . 554 . 1 1 1 DAL H3 H 3.055 7.019 6.890 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 10 . 555 . 1 1 1 DAL HA H 2.340 5.654 5.053 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 10 . 556 . 1 1 1 DAL HB1 H 3.693 3.441 4.828 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 10 . 557 . 1 1 1 DAL HB2 H 2.303 3.465 5.914 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 10 . 558 . 1 1 1 DAL N N 3.145 5.987 6.975 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 10 . 559 . 1 1 1 DAL O O 4.870 5.364 3.871 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 10 . 560 . 1 1 2 LEU C C 7.414 6.577 4.897 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 10 . 561 . 1 1 2 LEU CA C 6.243 7.553 4.848 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 10 . 562 . 1 1 2 LEU CB C 6.614 8.837 5.593 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 10 . 563 . 1 1 2 LEU CD1 C 5.675 11.073 6.190 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 10 . 564 . 1 1 2 LEU CD2 C 6.265 10.558 3.818 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 10 . 565 . 1 1 2 LEU CG C 5.713 9.979 5.122 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 10 . 566 . 1 1 2 LEU H H 4.678 7.350 6.263 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 10 . 567 . 1 1 2 LEU HA H 6.033 7.798 3.818 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 10 . 568 . 1 1 2 LEU HB2 H 6.483 8.687 6.655 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 10 . 569 . 1 1 2 LEU HB3 H 7.644 9.086 5.388 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 10 . 570 . 1 1 2 LEU HD11 H 4.897 11.783 5.952 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 10 . 571 . 1 1 2 LEU HD12 H 6.629 11.580 6.220 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 10 . 572 . 1 1 2 LEU HD13 H 5.474 10.629 7.154 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 10 . 573 . 1 1 2 LEU HD21 H 6.066 9.872 3.007 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 10 . 574 . 1 1 2 LEU HD22 H 7.331 10.704 3.912 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 10 . 575 . 1 1 2 LEU HD23 H 5.788 11.505 3.613 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 10 . 576 . 1 1 2 LEU HG H 4.713 9.603 4.958 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 10 . 577 . 1 1 2 LEU N N 5.051 6.962 5.445 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 10 . 578 . 1 1 2 LEU O O 8.227 6.523 3.975 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 10 . 579 . 1 1 3 GLY C C 8.081 3.423 5.863 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 10 . 580 . 1 1 3 GLY CA C 8.576 4.840 6.134 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 10 . 581 . 1 1 3 GLY H H 6.821 5.896 6.684 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 10 . 582 . 1 1 3 GLY HA2 H 9.369 5.080 5.440 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 10 . 583 . 1 1 3 GLY HA3 H 8.958 4.893 7.143 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 10 . 584 . 1 1 3 GLY N N 7.496 5.809 5.979 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 10 . 585 . 1 1 3 GLY O O 8.869 2.530 5.554 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 10 . 586 . 1 1 4 CYS C C 5.930 1.695 4.259 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 10 . 587 . 1 1 4 CYS CA C 6.184 1.912 5.748 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 10 . 588 . 1 1 4 CYS CB C 4.867 1.788 6.516 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 10 . 589 . 1 1 4 CYS H H 6.193 3.975 6.232 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 10 . 590 . 1 1 4 CYS HA H 6.866 1.153 6.102 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 10 . 591 . 1 1 4 CYS HB2 H 4.101 1.400 5.861 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 10 . 592 . 1 1 4 CYS HB3 H 4.999 1.116 7.351 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 10 . 593 . 1 1 4 CYS N N 6.773 3.226 5.983 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 10 . 594 . 1 1 4 CYS O O 5.353 2.551 3.587 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 10 . 595 . 1 1 4 CYS SG S 4.369 3.417 7.128 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 10 . 596 . 1 1 5 THR C C 6.472 -1.247 2.080 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 10 . 597 . 1 1 5 THR CA C 6.176 0.226 2.339 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 10 . 598 . 1 1 5 THR CB C 7.098 1.096 1.479 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 10 . 599 . 1 1 5 THR CG2 C 6.270 1.854 0.438 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 10 . 600 . 1 1 5 THR H H 6.814 -0.099 4.335 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 10 . 601 . 1 1 5 THR HA H 5.150 0.430 2.068 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 10 . 602 . 1 1 5 THR HB H 7.815 0.468 0.972 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 10 . 603 . 1 1 5 THR HG1 H 8.666 2.145 1.953 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 10 . 604 . 1 1 5 THR HG21 H 5.794 2.703 0.906 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 10 . 605 . 1 1 5 THR HG22 H 5.515 1.197 0.031 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 10 . 606 . 1 1 5 THR HG23 H 6.916 2.195 -0.357 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 10 . 607 . 1 1 5 THR N N 6.362 0.545 3.751 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 10 . 608 . 1 1 5 THR O O 5.530 -1.996 1.884 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 10 . 609 . 1 1 5 THR OXT O 7.639 -1.605 2.081 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 10 . 610 . 1 1 5 THR OG1 O 7.782 2.023 2.309 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 11 . 611 . 1 1 1 DAL C C 4.273 6.032 4.798 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 11 . 612 . 1 1 1 DAL CA C 3.049 5.432 5.482 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 11 . 613 . 1 1 1 DAL CB C 3.268 3.937 5.725 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 11 . 614 . 1 1 1 DAL H2 H 2.355 5.462 7.445 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 11 . 615 . 1 1 1 DAL H3 H 2.228 6.954 6.641 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 11 . 616 . 1 1 1 DAL HA H 2.184 5.570 4.852 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 11 . 617 . 1 1 1 DAL HB1 H 3.638 3.475 4.821 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 11 . 618 . 1 1 1 DAL HB2 H 2.333 3.477 6.008 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 11 . 619 . 1 1 1 DAL N N 2.826 6.116 6.786 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 11 . 620 . 1 1 1 DAL O O 4.527 5.777 3.622 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 11 . 621 . 1 1 2 LEU C C 7.362 6.462 4.889 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 11 . 622 . 1 1 2 LEU CA C 6.221 7.468 4.998 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 11 . 623 . 1 1 2 LEU CB C 6.648 8.634 5.894 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 11 . 624 . 1 1 2 LEU CD1 C 5.887 10.743 7.000 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 11 . 625 . 1 1 2 LEU CD2 C 5.064 10.163 4.714 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 11 . 626 . 1 1 2 LEU CG C 5.472 9.596 6.075 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 11 . 627 . 1 1 2 LEU H H 4.774 7.002 6.476 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 11 . 628 . 1 1 2 LEU HA H 5.996 7.851 4.014 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 11 . 629 . 1 1 2 LEU HB2 H 6.955 8.254 6.857 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 11 . 630 . 1 1 2 LEU HB3 H 7.472 9.158 5.434 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 11 . 631 . 1 1 2 LEU HD11 H 5.056 11.422 7.125 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 11 . 632 . 1 1 2 LEU HD12 H 6.722 11.271 6.565 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 11 . 633 . 1 1 2 LEU HD13 H 6.175 10.344 7.962 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 11 . 634 . 1 1 2 LEU HD21 H 5.948 10.350 4.122 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 11 . 635 . 1 1 2 LEU HD22 H 4.524 11.088 4.857 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 11 . 636 . 1 1 2 LEU HD23 H 4.432 9.452 4.202 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 11 . 637 . 1 1 2 LEU HG H 4.638 9.066 6.512 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 11 . 638 . 1 1 2 LEU N N 5.026 6.834 5.544 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 11 . 639 . 1 1 2 LEU O O 7.953 6.293 3.822 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 11 . 640 . 1 1 3 GLY C C 8.183 3.391 5.950 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 11 . 641 . 1 1 3 GLY CA C 8.742 4.808 6.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 11 . 642 . 1 1 3 GLY H H 7.164 5.970 6.820 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 11 . 643 . 1 1 3 GLY HA2 H 9.386 4.973 5.159 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 11 . 644 . 1 1 3 GLY HA3 H 9.317 4.922 6.918 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 11 . 645 . 1 1 3 GLY N N 7.667 5.795 5.998 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 11 . 646 . 1 1 3 GLY O O 8.935 2.417 5.937 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 11 . 647 . 1 1 4 CYS C C 5.894 1.602 4.410 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 11 . 648 . 1 1 4 CYS CA C 6.211 1.979 5.854 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 11 . 649 . 1 1 4 CYS CB C 4.919 2.000 6.673 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 11 . 650 . 1 1 4 CYS H H 6.309 4.094 5.926 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 11 . 651 . 1 1 4 CYS HA H 6.875 1.239 6.272 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 11 . 652 . 1 1 4 CYS HB2 H 4.124 1.541 6.104 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 11 . 653 . 1 1 4 CYS HB3 H 5.066 1.453 7.593 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 11 . 654 . 1 1 4 CYS N N 6.859 3.284 5.913 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 11 . 655 . 1 1 4 CYS O O 5.440 0.491 4.135 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 11 . 656 . 1 1 4 CYS SG S 4.476 3.713 7.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 11 . 657 . 1 1 5 THR C C 6.294 3.491 1.243 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 11 . 658 . 1 1 5 THR CA C 5.876 2.287 2.081 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 11 . 659 . 1 1 5 THR CB C 4.388 2.005 1.866 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 11 . 660 . 1 1 5 THR CG2 C 4.222 0.916 0.804 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 11 . 661 . 1 1 5 THR H H 6.502 3.398 3.773 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 11 . 662 . 1 1 5 THR HA H 6.444 1.425 1.763 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 11 . 663 . 1 1 5 THR HB H 3.894 2.904 1.532 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 11 . 664 . 1 1 5 THR HG1 H 3.164 2.228 3.361 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 11 . 665 . 1 1 5 THR HG21 H 4.409 -0.052 1.248 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 11 . 666 . 1 1 5 THR HG22 H 4.924 1.085 0.002 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 11 . 667 . 1 1 5 THR HG23 H 3.215 0.944 0.414 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 11 . 668 . 1 1 5 THR N N 6.139 2.532 3.494 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 11 . 669 . 1 1 5 THR O O 6.308 4.586 1.781 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 11 . 670 . 1 1 5 THR OXT O 6.595 3.301 0.075 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 11 . 671 . 1 1 5 THR OG1 O 3.808 1.570 3.088 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 12 . 672 . 1 1 1 DAL C C 4.776 5.770 5.209 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 12 . 673 . 1 1 1 DAL CA C 3.447 5.364 5.839 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 12 . 674 . 1 1 1 DAL CB C 3.276 3.846 5.758 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 12 . 675 . 1 1 1 DAL H2 H 3.708 6.788 7.334 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 12 . 676 . 1 1 1 DAL H3 H 4.090 5.203 7.812 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 12 . 677 . 1 1 1 DAL HA H 2.638 5.845 5.309 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 12 . 678 . 1 1 1 DAL HB1 H 3.611 3.499 4.792 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 12 . 679 . 1 1 1 DAL HB2 H 2.234 3.594 5.890 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 12 . 680 . 1 1 1 DAL N N 3.426 5.788 7.266 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 12 . 681 . 1 1 1 DAL O O 5.549 4.919 4.766 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 12 . 682 . 1 1 2 LEU C C 7.434 6.641 4.913 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 12 . 683 . 1 1 2 LEU CA C 6.274 7.578 4.595 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 12 . 684 . 1 1 2 LEU CB C 6.575 8.973 5.148 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 12 . 685 . 1 1 2 LEU CD1 C 7.946 10.902 4.346 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 12 . 686 . 1 1 2 LEU CD2 C 8.970 9.171 5.828 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 12 . 687 . 1 1 2 LEU CG C 7.969 9.412 4.696 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 12 . 688 . 1 1 2 LEU H H 4.381 7.704 5.541 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 12 . 689 . 1 1 2 LEU HA H 6.160 7.645 3.524 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 12 . 690 . 1 1 2 LEU HB2 H 5.839 9.673 4.778 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 12 . 691 . 1 1 2 LEU HB3 H 6.540 8.949 6.226 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 12 . 692 . 1 1 2 LEU HD11 H 8.945 11.228 4.095 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 12 . 693 . 1 1 2 LEU HD12 H 7.587 11.466 5.194 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 12 . 694 . 1 1 2 LEU HD13 H 7.291 11.064 3.503 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 12 . 695 . 1 1 2 LEU HD21 H 8.612 9.644 6.731 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 12 . 696 . 1 1 2 LEU HD22 H 9.928 9.590 5.557 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 12 . 697 . 1 1 2 LEU HD23 H 9.075 8.109 5.995 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 12 . 698 . 1 1 2 LEU HG H 8.261 8.844 3.826 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 12 . 699 . 1 1 2 LEU N N 5.034 7.073 5.173 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 12 . 700 . 1 1 2 LEU O O 8.456 6.646 4.225 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 12 . 701 . 1 1 3 GLY C C 7.951 3.472 5.956 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 12 . 702 . 1 1 3 GLY CA C 8.312 4.899 6.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 12 . 703 . 1 1 3 GLY H H 6.436 5.876 6.470 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 12 . 704 . 1 1 3 GLY HA2 H 9.242 5.178 5.884 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 12 . 705 . 1 1 3 GLY HA3 H 8.434 4.940 7.431 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 12 . 706 . 1 1 3 GLY N N 7.270 5.837 5.958 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 12 . 707 . 1 1 3 GLY O O 8.829 2.653 5.685 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 12 . 708 . 1 1 4 CYS C C 6.175 1.678 4.037 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 12 . 709 . 1 1 4 CYS CA C 6.191 1.846 5.554 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 12 . 710 . 1 1 4 CYS CB C 4.786 1.608 6.114 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 12 . 711 . 1 1 4 CYS H H 5.998 3.872 6.150 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 12 . 712 . 1 1 4 CYS HA H 6.862 1.116 5.978 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 12 . 713 . 1 1 4 CYS HB2 H 4.097 1.435 5.301 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 12 . 714 . 1 1 4 CYS HB3 H 4.801 0.743 6.761 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 12 . 715 . 1 1 4 CYS N N 6.654 3.180 5.922 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 12 . 716 . 1 1 4 CYS O O 6.796 0.760 3.499 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 12 . 717 . 1 1 4 CYS SG S 4.259 3.059 7.059 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 12 . 718 . 1 1 5 THR C C 6.165 3.642 1.262 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 12 . 719 . 1 1 5 THR CA C 5.376 2.503 1.899 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 12 . 720 . 1 1 5 THR CB C 3.912 2.583 1.459 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 12 . 721 . 1 1 5 THR CG2 C 3.255 3.818 2.080 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 12 . 722 . 1 1 5 THR H H 4.989 3.277 3.834 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 12 . 723 . 1 1 5 THR HA H 5.788 1.562 1.564 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 12 . 724 . 1 1 5 THR HB H 3.388 1.699 1.786 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 12 . 725 . 1 1 5 THR HG1 H 4.375 1.958 -0.323 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 12 . 726 . 1 1 5 THR HG21 H 3.997 4.388 2.620 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 12 . 727 . 1 1 5 THR HG22 H 2.477 3.508 2.760 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 12 . 728 . 1 1 5 THR HG23 H 2.828 4.430 1.299 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 12 . 729 . 1 1 5 THR N N 5.464 2.567 3.353 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 12 . 730 . 1 1 5 THR O O 6.746 3.419 0.212 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 12 . 731 . 1 1 5 THR OXT O 6.176 4.720 1.833 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 12 . 732 . 1 1 5 THR OG1 O 3.850 2.674 0.042 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 13 . 733 . 1 1 1 DAL C C 4.413 6.012 4.784 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 13 . 734 . 1 1 1 DAL CA C 3.070 5.392 5.150 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 13 . 735 . 1 1 1 DAL CB C 3.273 3.956 5.636 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 13 . 736 . 1 1 1 DAL H2 H 3.135 6.394 6.974 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 13 . 737 . 1 1 1 DAL H3 H 1.640 5.660 6.640 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 13 . 738 . 1 1 1 DAL HA H 2.427 5.389 4.282 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 13 . 739 . 1 1 1 DAL HB1 H 3.656 3.352 4.826 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 13 . 740 . 1 1 1 DAL HB2 H 2.330 3.552 5.972 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 13 . 741 . 1 1 1 DAL N N 2.433 6.194 6.233 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 13 . 742 . 1 1 1 DAL O O 4.986 5.702 3.739 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 13 . 743 . 1 1 2 LEU C C 7.230 6.515 4.955 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 13 . 744 . 1 1 2 LEU CA C 6.193 7.540 5.403 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 13 . 745 . 1 1 2 LEU CB C 6.677 8.239 6.678 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 13 . 746 . 1 1 2 LEU CD1 C 7.816 9.891 5.185 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 13 . 747 . 1 1 2 LEU CD2 C 5.549 10.397 6.116 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 13 . 748 . 1 1 2 LEU CG C 6.898 9.728 6.399 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 13 . 749 . 1 1 2 LEU H H 4.414 7.095 6.467 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 13 . 750 . 1 1 2 LEU HA H 6.067 8.276 4.624 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 13 . 751 . 1 1 2 LEU HB2 H 5.934 8.124 7.454 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 13 . 752 . 1 1 2 LEU HB3 H 7.606 7.795 7.002 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 13 . 753 . 1 1 2 LEU HD11 H 8.221 8.930 4.908 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 13 . 754 . 1 1 2 LEU HD12 H 8.623 10.565 5.433 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 13 . 755 . 1 1 2 LEU HD13 H 7.251 10.295 4.358 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 13 . 756 . 1 1 2 LEU HD21 H 5.596 10.915 5.168 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 13 . 757 . 1 1 2 LEU HD22 H 5.328 11.105 6.901 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 13 . 758 . 1 1 2 LEU HD23 H 4.774 9.647 6.078 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 13 . 759 . 1 1 2 LEU HG H 7.356 10.190 7.261 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 13 . 760 . 1 1 2 LEU N N 4.913 6.888 5.650 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 13 . 761 . 1 1 2 LEU O O 7.533 6.403 3.768 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 13 . 762 . 1 1 3 GLY C C 8.153 3.354 5.676 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 13 . 763 . 1 1 3 GLY CA C 8.763 4.750 5.609 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 13 . 764 . 1 1 3 GLY H H 7.482 5.900 6.843 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 13 . 765 . 1 1 3 GLY HA2 H 9.152 4.922 4.615 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 13 . 766 . 1 1 3 GLY HA3 H 9.570 4.817 6.323 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 13 . 767 . 1 1 3 GLY N N 7.765 5.767 5.915 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 13 . 768 . 1 1 3 GLY O O 8.815 2.361 5.374 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 13 . 769 . 1 1 4 CYS C C 5.928 1.420 4.802 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 13 . 770 . 1 1 4 CYS CA C 6.197 2.005 6.184 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 13 . 771 . 1 1 4 CYS CB C 4.872 2.185 6.929 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 13 . 772 . 1 1 4 CYS H H 6.410 4.111 6.308 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 13 . 773 . 1 1 4 CYS HA H 6.817 1.319 6.740 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 13 . 774 . 1 1 4 CYS HB2 H 4.092 1.653 6.407 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 13 . 775 . 1 1 4 CYS HB3 H 4.967 1.793 7.932 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 13 . 776 . 1 1 4 CYS N N 6.888 3.286 6.077 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 13 . 777 . 1 1 4 CYS O O 5.999 2.123 3.794 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 13 . 778 . 1 1 4 CYS SG S 4.456 3.944 7.006 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 13 . 779 . 1 1 5 THR C C 3.942 -1.164 3.526 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 13 . 780 . 1 1 5 THR CA C 5.337 -0.546 3.502 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 13 . 781 . 1 1 5 THR CB C 6.376 -1.641 3.250 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 13 . 782 . 1 1 5 THR CG2 C 6.380 -2.623 4.422 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 13 . 783 . 1 1 5 THR H H 5.576 -0.381 5.601 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 13 . 784 . 1 1 5 THR HA H 5.388 0.174 2.701 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 13 . 785 . 1 1 5 THR HB H 7.354 -1.196 3.155 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 13 . 786 . 1 1 5 THR HG1 H 5.150 -2.654 2.129 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 13 . 787 . 1 1 5 THR HG21 H 7.398 -2.816 4.727 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 13 . 788 . 1 1 5 THR HG22 H 5.913 -3.549 4.117 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 13 . 789 . 1 1 5 THR HG23 H 5.831 -2.198 5.249 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 13 . 790 . 1 1 5 THR N N 5.618 0.128 4.765 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 13 . 791 . 1 1 5 THR O O 3.827 -2.331 3.190 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 13 . 792 . 1 1 5 THR OXT O 3.011 -0.461 3.882 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 13 . 793 . 1 1 5 THR OG1 O 6.051 -2.332 2.051 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 14 . 794 . 1 1 1 DAL C C 4.341 5.984 4.793 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 14 . 795 . 1 1 1 DAL CA C 3.036 5.383 5.303 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 14 . 796 . 1 1 1 DAL CB C 3.269 3.943 5.765 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 14 . 797 . 1 1 1 DAL H2 H 3.340 6.521 7.021 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 14 . 798 . 1 1 1 DAL H3 H 1.905 5.609 7.037 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 14 . 799 . 1 1 1 DAL HA H 2.303 5.392 4.510 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 14 . 800 . 1 1 1 DAL HB1 H 3.632 3.355 4.934 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 14 . 801 . 1 1 1 DAL HB2 H 2.340 3.525 6.123 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 14 . 802 . 1 1 1 DAL N N 2.534 6.192 6.449 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 14 . 803 . 1 1 1 DAL O O 4.786 5.678 3.687 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 14 . 804 . 1 1 2 LEU C C 7.264 6.425 4.917 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 14 . 805 . 1 1 2 LEU CA C 6.205 7.478 5.226 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 14 . 806 . 1 1 2 LEU CB C 6.696 8.382 6.359 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 14 . 807 . 1 1 2 LEU CD1 C 4.443 9.452 6.493 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 14 . 808 . 1 1 2 LEU CD2 C 6.434 10.613 7.451 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 14 . 809 . 1 1 2 LEU CG C 5.940 9.711 6.318 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 14 . 810 . 1 1 2 LEU H H 4.549 7.046 6.476 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 14 . 811 . 1 1 2 LEU HA H 6.041 8.080 4.345 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 14 . 812 . 1 1 2 LEU HB2 H 6.523 7.897 7.308 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 14 . 813 . 1 1 2 LEU HB3 H 7.754 8.569 6.237 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 14 . 814 . 1 1 2 LEU HD11 H 4.298 8.590 7.128 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 14 . 815 . 1 1 2 LEU HD12 H 3.994 9.268 5.528 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 14 . 816 . 1 1 2 LEU HD13 H 3.979 10.314 6.948 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 14 . 817 . 1 1 2 LEU HD21 H 6.043 11.611 7.313 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 14 . 818 . 1 1 2 LEU HD22 H 7.514 10.644 7.442 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 14 . 819 . 1 1 2 LEU HD23 H 6.094 10.221 8.398 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 14 . 820 . 1 1 2 LEU HG H 6.113 10.195 5.368 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 14 . 821 . 1 1 2 LEU N N 4.950 6.841 5.606 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 14 . 822 . 1 1 2 LEU O O 7.593 6.183 3.756 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 14 . 823 . 1 1 3 GLY C C 8.198 3.382 5.882 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 14 . 824 . 1 1 3 GLY CA C 8.812 4.773 5.793 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 14 . 825 . 1 1 3 GLY H H 7.491 6.034 6.867 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 14 . 826 . 1 1 3 GLY HA2 H 9.281 4.895 4.827 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 14 . 827 . 1 1 3 GLY HA3 H 9.558 4.880 6.566 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 14 . 828 . 1 1 3 GLY N N 7.793 5.801 5.964 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 14 . 829 . 1 1 3 GLY O O 8.911 2.377 5.902 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 14 . 830 . 1 1 4 CYS C C 5.703 1.603 4.644 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 14 . 831 . 1 1 4 CYS CA C 6.170 2.053 6.024 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 14 . 832 . 1 1 4 CYS CB C 4.962 2.185 6.955 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 14 . 833 . 1 1 4 CYS H H 6.356 4.162 5.918 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 14 . 834 . 1 1 4 CYS HA H 6.841 1.311 6.426 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 14 . 835 . 1 1 4 CYS HB2 H 4.134 1.622 6.552 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 14 . 836 . 1 1 4 CYS HB3 H 5.217 1.800 7.932 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 14 . 837 . 1 1 4 CYS N N 6.872 3.329 5.937 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 14 . 838 . 1 1 4 CYS O O 5.697 2.386 3.693 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 14 . 839 . 1 1 4 CYS SG S 4.494 3.927 7.097 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 14 . 840 . 1 1 5 THR C C 4.462 -1.676 3.429 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 14 . 841 . 1 1 5 THR CA C 4.846 -0.209 3.271 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 14 . 842 . 1 1 5 THR CB C 5.942 -0.079 2.210 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 14 . 843 . 1 1 5 THR CG2 C 5.343 0.486 0.920 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 14 . 844 . 1 1 5 THR H H 5.340 -0.241 5.332 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 14 . 845 . 1 1 5 THR HA H 3.980 0.347 2.948 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 14 . 846 . 1 1 5 THR HB H 6.368 -1.049 2.009 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 14 . 847 . 1 1 5 THR HG1 H 7.138 0.569 3.602 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 14 . 848 . 1 1 5 THR HG21 H 4.762 1.367 1.149 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 14 . 849 . 1 1 5 THR HG22 H 4.707 -0.257 0.464 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 14 . 850 . 1 1 5 THR HG23 H 6.139 0.746 0.238 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 14 . 851 . 1 1 5 THR N N 5.313 0.337 4.540 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 14 . 852 . 1 1 5 THR O O 4.237 -2.322 2.418 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 14 . 853 . 1 1 5 THR OXT O 4.398 -2.133 4.558 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 14 . 854 . 1 1 5 THR OG1 O 6.958 0.795 2.686 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 1
. 15 . 855 . 1 1 1 DAL C C 4.374 5.988 4.790 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyr 1
. 15 . 856 . 1 1 1 DAL CA C 3.040 5.391 5.226 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyr 1
. 15 . 857 . 1 1 1 DAL CB C 3.246 3.960 5.726 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyr 1
. 15 . 858 . 1 1 1 DAL H2 H 2.221 5.607 7.128 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyr 1
. 15 . 859 . 1 1 1 DAL H3 H 1.606 6.699 5.981 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyr 1
. 15 . 860 . 1 1 1 DAL HA H 2.360 5.384 4.386 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyr 1
. 15 . 861 . 1 1 1 DAL HB1 H 3.584 3.339 4.910 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyr 1
. 15 . 862 . 1 1 1 DAL HB2 H 2.313 3.575 6.109 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyr 1
. 15 . 863 . 1 1 1 DAL N N 2.462 6.219 6.322 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyr 1
. 15 . 864 . 1 1 1 DAL O O 4.894 5.659 3.724 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyr 1
. 15 . 865 . 1 1 2 LEU C C 7.242 6.458 4.935 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyr 1
. 15 . 866 . 1 1 2 LEU CA C 6.198 7.504 5.314 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyr 1
. 15 . 867 . 1 1 2 LEU CB C 6.688 8.304 6.524 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyr 1
. 15 . 868 . 1 1 2 LEU CD1 C 5.745 10.537 5.914 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyr 1
. 15 . 869 . 1 1 2 LEU CD2 C 7.900 10.391 7.169 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyr 1
. 15 . 870 . 1 1 2 LEU CG C 7.033 9.731 6.094 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyr 1
. 15 . 871 . 1 1 2 LEU H H 4.463 7.091 6.459 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyr 1
. 15 . 872 . 1 1 2 LEU HA H 6.060 8.178 4.482 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyr 1
. 15 . 873 . 1 1 2 LEU HB2 H 5.911 8.332 7.274 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyr 1
. 15 . 874 . 1 1 2 LEU HB3 H 7.568 7.832 6.935 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyr 1
. 15 . 875 . 1 1 2 LEU HD11 H 5.035 9.957 5.343 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyr 1
. 15 . 876 . 1 1 2 LEU HD12 H 5.965 11.455 5.389 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyr 1
. 15 . 877 . 1 1 2 LEU HD13 H 5.326 10.767 6.882 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyr 1
. 15 . 878 . 1 1 2 LEU HD21 H 8.824 9.843 7.273 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyr 1
. 15 . 879 . 1 1 2 LEU HD22 H 7.370 10.386 8.110 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyr 1
. 15 . 880 . 1 1 2 LEU HD23 H 8.115 11.410 6.882 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyr 1
. 15 . 881 . 1 1 2 LEU HG H 7.574 9.704 5.159 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyr 1
. 15 . 882 . 1 1 2 LEU N N 4.923 6.867 5.623 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyr 1
. 15 . 883 . 1 1 2 LEU O O 7.541 6.264 3.757 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyr 1
. 15 . 884 . 1 1 3 GLY C C 8.192 3.365 5.797 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6qyr 1
. 15 . 885 . 1 1 3 GLY CA C 8.800 4.760 5.703 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6qyr 1
. 15 . 886 . 1 1 3 GLY H H 7.513 5.983 6.861 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6qyr 1
. 15 . 887 . 1 1 3 GLY HA2 H 9.220 4.900 4.717 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6qyr 1
. 15 . 888 . 1 1 3 GLY HA3 H 9.583 4.854 6.440 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6qyr 1
. 15 . 889 . 1 1 3 GLY N N 7.791 5.786 5.942 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6qyr 1
. 15 . 890 . 1 1 3 GLY O O 8.897 2.362 5.693 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6qyr 1
. 15 . 891 . 1 1 4 CYS C C 5.823 1.501 4.718 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_6qyr 1
. 15 . 892 . 1 1 4 CYS CA C 6.185 2.032 6.103 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_6qyr 1
. 15 . 893 . 1 1 4 CYS CB C 4.916 2.199 6.943 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_6qyr 1
. 15 . 894 . 1 1 4 CYS H H 6.368 4.143 6.071 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_6qyr 1
. 15 . 895 . 1 1 4 CYS HA H 6.834 1.321 6.592 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_6qyr 1
. 15 . 896 . 1 1 4 CYS HB2 H 4.104 1.656 6.485 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_6qyr 1
. 15 . 897 . 1 1 4 CYS HB3 H 5.090 1.815 7.937 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_6qyr 1
. 15 . 898 . 1 1 4 CYS N N 6.879 3.310 5.995 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_6qyr 1
. 15 . 899 . 1 1 4 CYS O O 4.752 0.926 4.521 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_6qyr 1
. 15 . 900 . 1 1 4 CYS SG S 4.487 3.955 7.043 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_6qyr 1
. 15 . 901 . 1 1 5 THR C C 7.802 0.808 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_6qyr 1
. 15 . 902 . 1 1 5 THR CA C 6.491 1.232 2.399 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_6qyr 1
. 15 . 903 . 1 1 5 THR CB C 5.842 2.344 1.572 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_6qyr 1
. 15 . 904 . 1 1 5 THR CG2 C 5.531 1.824 0.168 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_6qyr 1
. 15 . 905 . 1 1 5 THR H H 7.562 2.159 3.976 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_6qyr 1
. 15 . 906 . 1 1 5 THR HA H 5.823 0.384 2.427 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_6qyr 1
. 15 . 907 . 1 1 5 THR HB H 6.519 3.181 1.500 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_6qyr 1
. 15 . 908 . 1 1 5 THR HG1 H 4.870 3.181 3.034 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_6qyr 1
. 15 . 909 . 1 1 5 THR HG21 H 5.347 2.658 -0.492 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_6qyr 1
. 15 . 910 . 1 1 5 THR HG22 H 4.656 1.193 0.204 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_6qyr 1
. 15 . 911 . 1 1 5 THR HG23 H 6.372 1.253 -0.199 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_6qyr 1
. 15 . 912 . 1 1 5 THR N N 6.725 1.696 3.762 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_6qyr 1
. 15 . 913 . 1 1 5 THR O O 8.720 1.612 1.728 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_6qyr 1
. 15 . 914 . 1 1 5 THR OXT O 7.869 -0.314 1.271 . . . 1.0 . . . . . . . . . . . . A . 5 THR OXT . . . . . . . . . rr_6qyr 1
. 15 . 915 . 1 1 5 THR OG1 O 4.639 2.759 2.203 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_6qyr 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_6qyr
_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 6qyr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyr 1
1 6qyr.mr . . XPLOR/CNS 2 distance NOE simple 5 rr_6qyr 1
1 6qyr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 4 rr_6qyr 1
1 6qyr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyr 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_6qyr
_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: '6qyr'" . . . . distance "general distance" . 5 rr_6qyr 1
2 "From CCPN project: '6qyr'" . . . . "dihedral angle" "Not applicable" . 4 rr_6qyr 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 6qyr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyr 1
1 6qyr.mr . . XPLOR/CNS 2 distance NOE simple 5 rr_6qyr 1
1 6qyr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 4 rr_6qyr 1
1 6qyr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyr 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6qyr
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6qyr 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 2 2 LEU H H . . . 1 1 1 1 DAL HA H . . . . . 5.2 2.2 6.2 . . . . . A . 2 LEU H . . A . 1 DAL HA . . . 2 . HN . . . . . 1 . HA . . rr_6qyr 1
2 1 . . 1 1 2 2 LEU HA H . . . 1 1 3 3 GLY H H . . . . . 3.1 2.5 3.7 . . . . . A . 2 LEU HA . . A . 3 GLY H . . . 2 . HA . . . . . 3 . HN . . rr_6qyr 1
3 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 CYS HA H . . . . . 4.0 3.2 4.8 . . . . . A . 3 GLY H . . A . 4 CYS HA . . . 3 . HN . . . . . 4 . HA . . rr_6qyr 1
4 1 . . 1 1 2 2 LEU HA H . . . 1 1 3 3 GLY H H . . . . . 3.1 2.5 3.7 . . . . . A . 2 LEU HA . . A . 3 GLY H . . . 2 . HA . . . . . 3 . HN . . rr_6qyr 1
5 1 . . 1 1 4 4 CYS HA H . . . 1 1 1 1 DAL HB1 H . . . . . 3.5 2.8 4.2 . . . . . A . 4 CYS HA . . A . 1 DAL HB1 . . . 4 . HA . . . . . 1 . HB1 . . rr_6qyr 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_6qyr 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyr 1
3 i-i+3 11 1 11 7 rr_6qyr 1
4
;echo=true
wrnlev=5
;
13 1 15 16 rr_6qyr 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 1: noe_nointra.tbl" 1 1 1 36 rr_6qyr 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6qyr
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6qyr 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_6qyr 1
2 1 . . . rr_6qyr 1
3 1 . . . rr_6qyr 1
4 1 . . . rr_6qyr 1
5 1 . . . rr_6qyr 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 2 2 LEU H H . . . . 2 . HN rr_6qyr 1
1 1 . 2 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qyr 1
2 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6qyr 1
2 1 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qyr 1
3 1 . 1 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qyr 1
3 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qyr 1
4 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6qyr 1
4 1 . 2 . 1 1 3 3 GLY H H . . . . 3 . HN rr_6qyr 1
5 1 . 1 . 1 1 1 1 DAL HB1 H . . . . 1 . HB1 rr_6qyr 1
5 1 . 2 . 1 1 4 4 CYS HA H . . . . 4 . HA rr_6qyr 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 . . . . . . 5.2 2.2 6.2 rr_6qyr 1
2 1 . . . . . . 3.1 2.5 3.7 rr_6qyr 1
3 1 . . . . . . 4.0 3.2 4.8 rr_6qyr 1
4 1 . . . . . . 3.1 2.5 3.7 rr_6qyr 1
5 1 . . . . . . 3.5 2.8 4.2 rr_6qyr 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_6qyr 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyr 1
3 i-i+3 11 1 11 7 rr_6qyr 1
4
;echo=true
wrnlev=5
;
13 1 15 16 rr_6qyr 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 1: noe_nointra.tbl" 1 1 1 36 rr_6qyr 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_6qyr
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qyr 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 2 2 LEU C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . -104.3 -44.3 . . . A . 2 LEU C . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6qyr 1
2 . . 1 1 3 3 GLY C C . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . -120.8 -60.8 . . . A . 3 GLY C . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6qyr 1
3 . . 1 1 1 1 DAL C C . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU C C . -150.8 -30.8 . . . A . 1 DAL C . . A . 2 LEU N . . A . 2 LEU CA . . A . 2 LEU C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_6qyr 1
4 . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . . 1 1 4 4 CYS N N . -56.8 13.2 . . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . A . 4 CYS N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_6qyr 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 3 1 3 5 rr_6qyr 1
2 calc 8 1 8 6 rr_6qyr 1
3
;psi
predictions
;
11 1 12 13 rr_6qyr 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 2: dihe.tbl" 1 1 1 29 rr_6qyr 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_6qyr
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER ANTIBIOTIC 09-MAR-19 6QYR *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - MUTACIN I RING B, MINOR CONFORMER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DAL-LEU-GLY-CYS-THR; *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 6QYR 0"
save_
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