NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
638667 |
6dny   |
30476 | cing | 3-converted-DOCR | STAR | entry | full | 25 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6dny
# This DOCR archive file contains, for PDB entry <6dny>:
#
# - 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_6dny
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6dny"
_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 6dny"
_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 6dny "Master copy" rr_6dny
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6dny
_Assembly.ID 1
_Assembly.Name 6dny
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 473.5479
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 "Cyclic tetrapeptide PYPV" 1 $Cyclic_tetrapeptide_PYPV A . no . . . . . . rr_6dny 1
stop_
save_
save_Cyclic_tetrapeptide_PYPV
_Entity.Sf_category entity
_Entity.Sf_framecode Cyclic_tetrapeptide_PYPV
_Entity.Entry_ID rr_6dny
_Entity.ID 1
_Entity.Name Cyclic_tetrapeptide_PYPV
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code PYPV
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 4
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 473.5479
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . PRO . rr_6dny 1
2 . TYR . rr_6dny 1
3 . PRO . rr_6dny 1
4 . VAL . rr_6dny 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. PRO 1 1 rr_6dny 1
. TYR 2 2 rr_6dny 1
. PRO 3 3 rr_6dny 1
. VAL 4 4 rr_6dny 1
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_6dny
_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 10
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_6dny
_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_6dny 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_6dny 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 PRO C C 2.035 -1.325 -1.984 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 1 . 2 . 1 1 1 PRO CA C 2.133 -0.001 -1.234 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 1 . 3 . 1 1 1 PRO CB C 3.563 0.229 -0.738 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 1 . 4 . 1 1 1 PRO CD C 2.188 0.000 1.204 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 1 . 5 . 1 1 1 PRO CG C 3.564 -0.277 0.663 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 1 . 6 . 1 1 1 PRO HA H 1.844 0.806 -1.891 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 1 . 7 . 1 1 1 PRO HB2 H 4.255 -0.324 -1.359 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 1 . 8 . 1 1 1 PRO HB3 H 3.797 1.282 -0.777 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 1 . 9 . 1 1 1 PRO HD2 H 1.887 -0.780 1.888 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 1 . 10 . 1 1 1 PRO HD3 H 2.162 0.963 1.693 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 1 . 11 . 1 1 1 PRO HG2 H 3.762 -1.338 0.671 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 1 . 12 . 1 1 1 PRO HG3 H 4.307 0.250 1.243 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 1 . 13 . 1 1 1 PRO N N 1.341 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 1 . 14 . 1 1 1 PRO O O 2.687 -1.517 -3.011 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 1 . 15 . 1 1 2 TYR C C -0.349 -4.101 -1.782 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 1 . 16 . 1 1 2 TYR CA C 1.037 -3.542 -2.086 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 1 . 17 . 1 1 2 TYR CB C 2.111 -4.515 -1.596 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 1 . 18 . 1 1 2 TYR CD1 C 2.342 -5.723 -3.801 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 1 . 19 . 1 1 2 TYR CD2 C 2.149 -7.030 -1.817 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 1 . 20 . 1 1 2 TYR CE1 C 2.426 -6.876 -4.558 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 1 . 21 . 1 1 2 TYR CE2 C 2.233 -8.188 -2.566 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 1 . 22 . 1 1 2 TYR CG C 2.203 -5.779 -2.420 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 1 . 23 . 1 1 2 TYR CZ C 2.371 -8.106 -3.936 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 1 . 24 . 1 1 2 TYR H H 0.726 -2.023 -0.645 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 1 . 25 . 1 1 2 TYR HA H 1.137 -3.418 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 1 . 26 . 1 1 2 TYR HB2 H 3.072 -4.027 -1.631 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 1 . 27 . 1 1 2 TYR HB3 H 1.893 -4.798 -0.577 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 1 . 28 . 1 1 2 TYR HD1 H 2.385 -4.758 -4.286 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 1 . 29 . 1 1 2 TYR HD2 H 2.040 -7.091 -0.744 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 1 . 30 . 1 1 2 TYR HE1 H 2.534 -6.812 -5.631 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 1 . 31 . 1 1 2 TYR HE2 H 2.190 -9.151 -2.079 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 1 . 32 . 1 1 2 TYR HH H 3.249 -9.231 -5.224 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 1 . 33 . 1 1 2 TYR N N 1.218 -2.235 -1.465 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 1 . 34 . 1 1 2 TYR O O -0.534 -4.912 -0.874 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 1 . 35 . 1 1 2 TYR OH O 2.454 -9.257 -4.686 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 1 . 36 . 1 1 3 PRO C C -0.799 -1.303 -3.122 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 1 . 37 . 1 1 3 PRO CA C -1.140 -2.694 -3.644 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 1 . 38 . 1 1 3 PRO CB C -2.488 -2.679 -4.369 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 1 . 39 . 1 1 3 PRO CD C -2.758 -4.068 -2.442 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 1 . 40 . 1 1 3 PRO CG C -3.478 -3.097 -3.337 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 1 . 41 . 1 1 3 PRO HA H -0.367 -3.022 -4.324 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 1 . 42 . 1 1 3 PRO HB2 H -2.692 -1.682 -4.733 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 1 . 43 . 1 1 3 PRO HB3 H -2.463 -3.372 -5.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 1 . 44 . 1 1 3 PRO HD2 H -3.104 -3.970 -1.424 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 1 . 45 . 1 1 3 PRO HD3 H -2.896 -5.080 -2.794 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 1 . 46 . 1 1 3 PRO HG2 H -3.805 -2.238 -2.772 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 1 . 47 . 1 1 3 PRO HG3 H -4.320 -3.579 -3.812 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 1 . 48 . 1 1 3 PRO N N -1.348 -3.660 -2.560 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 1 . 49 . 1 1 3 PRO O O -0.100 -0.535 -3.784 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 1 . 50 . 1 1 4 VAL C C -0.160 0.181 -0.088 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 1 . 51 . 1 1 4 VAL CA C -1.045 0.317 -1.322 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 1 . 52 . 1 1 4 VAL CB C -2.359 1.015 -0.923 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 1 . 53 . 1 1 4 VAL CG1 C -2.081 2.412 -0.390 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 1 . 54 . 1 1 4 VAL CG2 C -3.314 1.067 -2.106 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 1 . 55 . 1 1 4 VAL H H -1.849 -1.637 -1.454 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 1 . 56 . 1 1 4 VAL HA H -0.540 0.935 -2.049 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 1 . 57 . 1 1 4 VAL HB H -2.825 0.440 -0.137 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 1 . 58 . 1 1 4 VAL HG11 H -1.627 3.010 -1.167 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 1 . 59 . 1 1 4 VAL HG12 H -3.008 2.870 -0.077 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 1 . 60 . 1 1 4 VAL HG13 H -1.409 2.348 0.453 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 1 . 61 . 1 1 4 VAL HG21 H -2.749 1.183 -3.019 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 1 . 62 . 1 1 4 VAL HG22 H -3.884 0.151 -2.150 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 1 . 63 . 1 1 4 VAL HG23 H -3.987 1.904 -1.990 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 1 . 64 . 1 1 4 VAL N N -1.298 -0.983 -1.933 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 1 . 65 . 1 1 4 VAL O O -0.654 0.093 1.036 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 2 . 66 . 1 1 1 PRO C C 2.000 -1.331 -2.032 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 2 . 67 . 1 1 1 PRO CA C 2.107 0.003 -1.301 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 2 . 68 . 1 1 1 PRO CB C 3.547 0.247 -0.844 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 2 . 69 . 1 1 1 PRO CD C 2.222 0.035 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 2 . 70 . 1 1 1 PRO CG C 3.586 -0.241 0.563 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 2 . 71 . 1 1 1 PRO HA H 1.797 0.800 -1.961 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 2 . 72 . 1 1 1 PRO HB2 H 4.227 -0.309 -1.474 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 2 . 73 . 1 1 1 PRO HB3 H 3.774 1.301 -0.902 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 2 . 74 . 1 1 1 PRO HD2 H 1.943 -0.738 1.835 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 2 . 75 . 1 1 1 PRO HD3 H 2.202 1.004 1.612 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 2 . 76 . 1 1 1 PRO HG2 H 3.791 -1.300 0.579 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 2 . 77 . 1 1 1 PRO HG3 H 4.340 0.297 1.118 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 2 . 78 . 1 1 1 PRO N N 1.346 0.015 -0.048 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 2 . 79 . 1 1 1 PRO O O 2.627 -1.532 -3.073 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 2 . 80 . 1 1 2 TYR C C -0.362 -4.119 -1.737 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 2 . 81 . 1 1 2 TYR CA C 1.013 -3.555 -2.082 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 2 . 82 . 1 1 2 TYR CB C 2.104 -4.515 -1.607 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 2 . 83 . 1 1 2 TYR CD1 C 2.912 -5.633 -3.722 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 2 . 84 . 1 1 2 TYR CD2 C 1.786 -6.971 -2.103 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 2 . 85 . 1 1 2 TYR CE1 C 3.065 -6.739 -4.536 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 2 . 86 . 1 1 2 TYR CE2 C 1.936 -8.082 -2.909 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 2 . 87 . 1 1 2 TYR CG C 2.271 -5.729 -2.493 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 2 . 88 . 1 1 2 TYR CZ C 2.576 -7.961 -4.125 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 2 . 89 . 1 1 2 TYR H H 0.728 -2.020 -0.653 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 2 . 90 . 1 1 2 TYR HA H 1.086 -3.444 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 2 . 91 . 1 1 2 TYR HB2 H 3.048 -3.993 -1.581 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 2 . 92 . 1 1 2 TYR HB3 H 1.862 -4.861 -0.613 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 2 . 93 . 1 1 2 TYR HD1 H 3.294 -4.674 -4.042 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 2 . 94 . 1 1 2 TYR HD2 H 1.284 -7.062 -1.150 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 2 . 95 . 1 1 2 TYR HE1 H 3.567 -6.645 -5.488 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 2 . 96 . 1 1 2 TYR HE2 H 1.553 -9.039 -2.588 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 2 . 97 . 1 1 2 TYR HH H 2.802 -9.852 -4.386 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 2 . 98 . 1 1 2 TYR N N 1.201 -2.239 -1.483 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 2 . 99 . 1 1 2 TYR O O -0.520 -4.919 -0.815 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 2 . 100 . 1 1 2 TYR OH O 2.727 -9.066 -4.932 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 2 . 101 . 1 1 3 PRO C C -0.862 -1.339 -3.101 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 2 . 102 . 1 1 3 PRO CA C -1.207 -2.740 -3.597 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 2 . 103 . 1 1 3 PRO CB C -2.572 -2.741 -4.289 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 2 . 104 . 1 1 3 PRO CD C -2.786 -4.108 -2.339 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 2 . 105 . 1 1 3 PRO CG C -3.534 -3.153 -3.228 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 2 . 106 . 1 1 3 PRO HA H -0.449 -3.071 -4.291 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 2 . 107 . 1 1 3 PRO HB2 H -2.791 -1.750 -4.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 2 . 108 . 1 1 3 PRO HB3 H -2.563 -3.444 -5.108 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 2 . 109 . 1 1 3 PRO HD2 H -3.108 -3.999 -1.314 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 2 . 110 . 1 1 3 PRO HD3 H -2.927 -5.124 -2.675 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 2 . 111 . 1 1 3 PRO HG2 H -3.852 -2.288 -2.666 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 2 . 112 . 1 1 3 PRO HG3 H -4.384 -3.645 -3.676 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 2 . 113 . 1 1 3 PRO N N -1.382 -3.693 -2.497 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 2 . 114 . 1 1 3 PRO O O -0.183 -0.576 -3.789 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 2 . 115 . 1 1 4 VAL C C -0.158 0.186 -0.102 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 2 . 116 . 1 1 4 VAL CA C -1.074 0.301 -1.315 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 2 . 117 . 1 1 4 VAL CB C -2.382 0.996 -0.893 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 2 . 118 . 1 1 4 VAL CG1 C -2.089 2.350 -0.265 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 2 . 119 . 1 1 4 VAL CG2 C -3.315 1.143 -2.086 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 2 . 120 . 1 1 4 VAL H H -1.869 -1.659 -1.403 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 2 . 121 . 1 1 4 VAL HA H -0.590 0.913 -2.063 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 2 . 122 . 1 1 4 VAL HB H -2.871 0.380 -0.154 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 2 . 123 . 1 1 4 VAL HG11 H -1.474 2.214 0.612 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 2 . 124 . 1 1 4 VAL HG12 H -1.568 2.973 -0.978 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 2 . 125 . 1 1 4 VAL HG13 H -3.017 2.824 0.017 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 2 . 126 . 1 1 4 VAL HG21 H -3.387 0.199 -2.604 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 2 . 127 . 1 1 4 VAL HG22 H -4.296 1.441 -1.742 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 2 . 128 . 1 1 4 VAL HG23 H -2.927 1.894 -2.757 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 2 . 129 . 1 1 4 VAL N N -1.334 -1.008 -1.903 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 2 . 130 . 1 1 4 VAL O O -0.624 0.111 1.035 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 3 . 131 . 1 1 1 PRO C C 1.971 -1.418 -2.050 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 3 . 132 . 1 1 1 PRO CA C 2.115 -0.055 -1.383 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 3 . 133 . 1 1 1 PRO CB C 3.568 0.183 -0.961 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 3 . 134 . 1 1 1 PRO CD C 2.274 0.088 1.047 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 3 . 135 . 1 1 1 PRO CG C 3.622 -0.240 0.466 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 3 . 136 . 1 1 1 PRO HA H 1.809 0.717 -2.074 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 3 . 137 . 1 1 1 PRO HB2 H 4.226 -0.414 -1.577 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 3 . 138 . 1 1 1 PRO HB3 H 3.812 1.228 -1.072 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 3 . 139 . 1 1 1 PRO HD2 H 1.993 -0.647 1.787 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 3 . 140 . 1 1 1 PRO HD3 H 2.280 1.078 1.478 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 3 . 141 . 1 1 1 PRO HG2 H 3.808 -1.302 0.528 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 3 . 142 . 1 1 1 PRO HG3 H 4.395 0.308 0.982 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 3 . 143 . 1 1 1 PRO N N 1.377 0.030 -0.120 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 3 . 144 . 1 1 1 PRO O O 2.576 -1.679 -3.090 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 3 . 145 . 1 1 2 TYR C C -0.436 -4.144 -1.586 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 3 . 146 . 1 1 2 TYR CA C 0.942 -3.623 -1.979 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 3 . 147 . 1 1 2 TYR CB C 2.024 -4.581 -1.478 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 3 . 148 . 1 1 2 TYR CD1 C 3.578 -5.964 -2.910 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 3 . 149 . 1 1 2 TYR CD2 C 1.278 -6.584 -2.824 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 3 . 150 . 1 1 2 TYR CE1 C 3.833 -7.013 -3.772 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 3 . 151 . 1 1 2 TYR CE2 C 1.524 -7.635 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 3 . 152 . 1 1 2 TYR CG C 2.299 -5.731 -2.422 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 3 . 153 . 1 1 2 TYR CZ C 2.803 -7.846 -4.157 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 3 . 154 . 1 1 2 TYR H H 0.711 -2.018 -0.619 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 3 . 155 . 1 1 2 TYR HA H 0.999 -3.563 -3.056 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 3 . 156 . 1 1 2 TYR HB2 H 2.945 -4.035 -1.345 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 3 . 157 . 1 1 2 TYR HB3 H 1.716 -4.996 -0.530 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 3 . 158 . 1 1 2 TYR HD1 H 4.383 -5.310 -2.606 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 3 . 159 . 1 1 2 TYR HD2 H 0.277 -6.416 -2.453 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 3 . 160 . 1 1 2 TYR HE1 H 4.835 -7.178 -4.141 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 3 . 161 . 1 1 2 TYR HE2 H 0.718 -8.288 -3.987 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 3 . 162 . 1 1 2 TYR HH H 2.230 -9.341 -5.220 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 3 . 163 . 1 1 2 TYR N N 1.165 -2.284 -1.445 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 3 . 164 . 1 1 2 TYR O O -0.593 -4.897 -0.625 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 3 . 165 . 1 1 2 TYR OH O 3.054 -8.892 -5.015 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 3 . 166 . 1 1 3 PRO C C -0.909 -1.421 -3.069 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 3 . 167 . 1 1 3 PRO CA C -1.288 -2.836 -3.493 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 3 . 168 . 1 1 3 PRO CB C -2.665 -2.843 -4.162 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 3 . 169 . 1 1 3 PRO CD C -2.870 -4.114 -2.147 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 3 . 170 . 1 1 3 PRO CG C -3.616 -3.187 -3.067 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 3 . 171 . 1 1 3 PRO HA H -0.548 -3.214 -4.184 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 3 . 172 . 1 1 3 PRO HB2 H -2.873 -1.866 -4.574 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 3 . 173 . 1 1 3 PRO HB3 H -2.684 -3.584 -4.947 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 3 . 174 . 1 1 3 PRO HD2 H -3.172 -3.952 -1.123 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 3 . 175 . 1 1 3 PRO HD3 H -3.036 -5.142 -2.433 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 3 . 176 . 1 1 3 PRO HG2 H -3.908 -2.291 -2.541 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 3 . 177 . 1 1 3 PRO HG3 H -4.483 -3.683 -3.477 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 3 . 178 . 1 1 3 PRO N N -1.462 -3.734 -2.347 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 3 . 179 . 1 1 3 PRO O O -0.229 -0.704 -3.802 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 3 . 180 . 1 1 4 VAL C C -0.125 0.227 -0.156 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 3 . 181 . 1 1 4 VAL CA C -1.060 0.303 -1.358 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 3 . 182 . 1 1 4 VAL CB C -2.347 1.042 -0.947 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 3 . 183 . 1 1 4 VAL CG1 C -2.019 2.425 -0.405 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 3 . 184 . 1 1 4 VAL CG2 C -3.306 1.136 -2.124 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 3 . 185 . 1 1 4 VAL H H -1.892 -1.643 -1.342 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 3 . 186 . 1 1 4 VAL HA H -0.578 0.871 -2.141 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 3 . 187 . 1 1 4 VAL HB H -2.828 0.477 -0.162 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 3 . 188 . 1 1 4 VAL HG11 H -1.779 2.352 0.646 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 3 . 189 . 1 1 4 VAL HG12 H -1.174 2.832 -0.941 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 3 . 190 . 1 1 4 VAL HG13 H -2.874 3.074 -0.533 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 3 . 191 . 1 1 4 VAL HG21 H -3.542 2.172 -2.314 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 3 . 192 . 1 1 4 VAL HG22 H -2.844 0.706 -3.001 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 3 . 193 . 1 1 4 VAL HG23 H -4.212 0.596 -1.894 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 3 . 194 . 1 1 4 VAL N N -1.354 -1.026 -1.880 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 3 . 195 . 1 1 4 VAL O O -0.571 0.212 0.991 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 4 . 196 . 1 1 1 PRO C C 1.982 -1.411 -2.036 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 4 . 197 . 1 1 1 PRO CA C 2.123 -0.050 -1.365 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 4 . 198 . 1 1 1 PRO CB C 3.574 0.188 -0.938 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 4 . 199 . 1 1 1 PRO CD C 2.275 0.084 1.066 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 4 . 200 . 1 1 1 PRO CG C 3.625 -0.240 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 4 . 201 . 1 1 1 PRO HA H 1.817 0.724 -2.054 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 4 . 202 . 1 1 1 PRO HB2 H 4.235 -0.406 -1.554 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 4 . 203 . 1 1 1 PRO HB3 H 3.818 1.234 -1.045 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 4 . 204 . 1 1 1 PRO HD2 H 1.993 -0.653 1.803 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 4 . 205 . 1 1 1 PRO HD3 H 2.279 1.073 1.501 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 4 . 206 . 1 1 1 PRO HG2 H 3.812 -1.302 0.546 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 4 . 207 . 1 1 1 PRO HG3 H 4.397 0.308 1.008 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 4 . 208 . 1 1 1 PRO N N 1.381 0.029 -0.103 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 4 . 209 . 1 1 1 PRO O O 2.590 -1.668 -3.076 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 4 . 210 . 1 1 2 TYR C C -0.424 -4.141 -1.590 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 4 . 211 . 1 1 2 TYR CA C 0.955 -3.617 -1.977 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 4 . 212 . 1 1 2 TYR CB C 2.037 -4.576 -1.476 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 4 . 213 . 1 1 2 TYR CD1 C 3.534 -5.942 -2.982 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 4 . 214 . 1 1 2 TYR CD2 C 1.275 -6.649 -2.700 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 4 . 215 . 1 1 2 TYR CE1 C 3.767 -7.007 -3.830 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 4 . 216 . 1 1 2 TYR CE2 C 1.499 -7.718 -3.546 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 4 . 217 . 1 1 2 TYR CG C 2.287 -5.744 -2.403 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 4 . 218 . 1 1 2 TYR CZ C 2.746 -7.893 -4.109 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 4 . 219 . 1 1 2 TYR H H 0.718 -2.018 -0.611 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 4 . 220 . 1 1 2 TYR HA H 1.015 -3.554 -3.054 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 4 . 221 . 1 1 2 TYR HB2 H 2.964 -4.036 -1.366 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 4 . 222 . 1 1 2 TYR HB3 H 1.740 -4.972 -0.516 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 4 . 223 . 1 1 2 TYR HD1 H 4.331 -5.247 -2.761 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 4 . 224 . 1 1 2 TYR HD2 H 0.300 -6.510 -2.258 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 4 . 225 . 1 1 2 TYR HE1 H 4.743 -7.144 -4.271 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 4 . 226 . 1 1 2 TYR HE2 H 0.701 -8.412 -3.765 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 4 . 227 . 1 1 2 TYR HH H 2.349 -8.926 -5.681 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 4 . 228 . 1 1 2 TYR N N 1.175 -2.280 -1.437 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 4 . 229 . 1 1 2 TYR O O -0.583 -4.898 -0.632 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 4 . 230 . 1 1 2 TYR OH O 2.975 -8.956 -4.953 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 4 . 231 . 1 1 3 PRO C C -0.895 -1.414 -3.065 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 4 . 232 . 1 1 3 PRO CA C -1.271 -2.827 -3.495 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 4 . 233 . 1 1 3 PRO CB C -2.646 -2.834 -4.168 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 4 . 234 . 1 1 3 PRO CD C -2.856 -4.111 -2.158 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 4 . 235 . 1 1 3 PRO CG C -3.600 -3.182 -3.077 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 4 . 236 . 1 1 3 PRO HA H -0.529 -3.202 -4.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 4 . 237 . 1 1 3 PRO HB2 H -2.853 -1.855 -4.578 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 4 . 238 . 1 1 3 PRO HB3 H -2.662 -3.571 -4.956 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 4 . 239 . 1 1 3 PRO HD2 H -3.161 -3.953 -1.134 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 4 . 240 . 1 1 3 PRO HD3 H -3.020 -5.139 -2.448 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 4 . 241 . 1 1 3 PRO HG2 H -3.895 -2.288 -2.549 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 4 . 242 . 1 1 3 PRO HG3 H -4.465 -3.678 -3.492 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 4 . 243 . 1 1 3 PRO N N -1.448 -3.729 -2.352 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 4 . 244 . 1 1 3 PRO O O -0.213 -0.693 -3.794 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 4 . 245 . 1 1 4 VAL C C -0.120 0.226 -0.144 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 4 . 246 . 1 1 4 VAL CA C -1.052 0.305 -1.348 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 4 . 247 . 1 1 4 VAL CB C -2.341 1.041 -0.938 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 4 . 248 . 1 1 4 VAL CG1 C -2.027 2.462 -0.496 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 4 . 249 . 1 1 4 VAL CG2 C -3.342 1.040 -2.084 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 4 . 250 . 1 1 4 VAL H H -1.882 -1.642 -1.341 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 4 . 251 . 1 1 4 VAL HA H -0.569 0.876 -2.128 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 4 . 252 . 1 1 4 VAL HB H -2.781 0.517 -0.103 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 4 . 253 . 1 1 4 VAL HG11 H -1.707 2.455 0.535 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 4 . 254 . 1 1 4 VAL HG12 H -1.241 2.867 -1.116 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 4 . 255 . 1 1 4 VAL HG13 H -2.913 3.073 -0.593 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 4 . 256 . 1 1 4 VAL HG21 H -4.261 1.505 -1.759 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 4 . 257 . 1 1 4 VAL HG22 H -2.936 1.592 -2.919 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 4 . 258 . 1 1 4 VAL HG23 H -3.541 0.023 -2.388 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 4 . 259 . 1 1 4 VAL N N -1.343 -1.022 -1.876 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 4 . 260 . 1 1 4 VAL O O -0.570 0.206 1.001 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 5 . 261 . 1 1 1 PRO C C 2.025 -1.340 -1.970 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 5 . 262 . 1 1 1 PRO CA C 2.127 -0.017 -1.219 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 5 . 263 . 1 1 1 PRO CB C 3.556 0.205 -0.717 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 5 . 264 . 1 1 1 PRO CD C 2.173 -0.016 1.220 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 5 . 265 . 1 1 1 PRO CG C 3.549 -0.301 0.684 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 5 . 266 . 1 1 1 PRO HA H 1.845 0.792 -1.877 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 5 . 267 . 1 1 1 PRO HB2 H 4.247 -0.351 -1.335 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 5 . 268 . 1 1 1 PRO HB3 H 3.796 1.257 -0.756 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 5 . 269 . 1 1 1 PRO HD2 H 1.865 -0.795 1.902 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 5 . 270 . 1 1 1 PRO HD3 H 2.150 0.947 1.708 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 5 . 271 . 1 1 1 PRO HG2 H 3.742 -1.363 0.692 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 5 . 272 . 1 1 1 PRO HG3 H 4.293 0.221 1.266 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 5 . 273 . 1 1 1 PRO N N 1.330 -0.012 0.012 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 5 . 274 . 1 1 1 PRO O O 2.679 -1.535 -2.994 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 5 . 275 . 1 1 2 TYR C C -0.375 -4.104 -1.777 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 5 . 276 . 1 1 2 TYR CA C 1.015 -3.551 -2.076 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 5 . 277 . 1 1 2 TYR CB C 2.082 -4.530 -1.583 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 5 . 278 . 1 1 2 TYR CD1 C 2.400 -5.622 -3.838 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 5 . 279 . 1 1 2 TYR CD2 C 2.227 -7.029 -1.921 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 5 . 280 . 1 1 2 TYR CE1 C 2.542 -6.733 -4.646 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 5 . 281 . 1 1 2 TYR CE2 C 2.370 -8.145 -2.722 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 5 . 282 . 1 1 2 TYR CG C 2.239 -5.749 -2.464 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 5 . 283 . 1 1 2 TYR CZ C 2.527 -7.992 -4.084 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 5 . 284 . 1 1 2 TYR H H 0.707 -2.031 -0.636 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 5 . 285 . 1 1 2 TYR HA H 1.120 -3.428 -3.144 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 5 . 286 . 1 1 2 TYR HB2 H 3.034 -4.025 -1.544 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 5 . 287 . 1 1 2 TYR HB3 H 1.819 -4.869 -0.591 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 5 . 288 . 1 1 2 TYR HD1 H 2.411 -4.634 -4.275 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 5 . 289 . 1 1 2 TYR HD2 H 2.104 -7.145 -0.854 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 5 . 290 . 1 1 2 TYR HE1 H 2.666 -6.613 -5.712 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 5 . 291 . 1 1 2 TYR HE2 H 2.358 -9.132 -2.282 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 5 . 292 . 1 1 2 TYR HH H 2.748 -9.885 -4.337 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 5 . 293 . 1 1 2 TYR N N 1.201 -2.245 -1.455 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 5 . 294 . 1 1 2 TYR O O -0.568 -4.914 -0.870 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 5 . 295 . 1 1 2 TYR OH O 2.671 -9.101 -4.886 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 5 . 296 . 1 1 3 PRO C C -0.805 -1.302 -3.119 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 5 . 297 . 1 1 3 PRO CA C -1.151 -2.692 -3.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 5 . 298 . 1 1 3 PRO CB C -2.496 -2.669 -4.372 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 5 . 299 . 1 1 3 PRO CD C -2.781 -4.057 -2.447 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 5 . 300 . 1 1 3 PRO CG C -3.493 -3.083 -3.345 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 5 . 301 . 1 1 3 PRO HA H -0.378 -3.024 -4.319 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 5 . 302 . 1 1 3 PRO HB2 H -2.694 -1.671 -4.736 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 5 . 303 . 1 1 3 PRO HB3 H -2.473 -3.362 -5.200 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 5 . 304 . 1 1 3 PRO HD2 H -3.131 -3.958 -1.430 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 5 . 305 . 1 1 3 PRO HD3 H -2.924 -5.068 -2.800 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 5 . 306 . 1 1 3 PRO HG2 H -3.817 -2.222 -2.781 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 5 . 307 . 1 1 3 PRO HG3 H -4.335 -3.560 -3.822 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 5 . 308 . 1 1 3 PRO N N -1.369 -3.656 -2.559 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 5 . 309 . 1 1 3 PRO O O -0.099 -0.538 -3.777 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 5 . 310 . 1 1 4 VAL C C -0.170 0.178 -0.082 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 5 . 311 . 1 1 4 VAL CA C -1.049 0.318 -1.319 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 5 . 312 . 1 1 4 VAL CB C -2.361 1.023 -0.926 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 5 . 313 . 1 1 4 VAL CG1 C -2.079 2.427 -0.412 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 5 . 314 . 1 1 4 VAL CG2 C -3.320 1.061 -2.106 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 5 . 315 . 1 1 4 VAL H H -1.863 -1.631 -1.454 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 5 . 316 . 1 1 4 VAL HA H -0.538 0.934 -2.045 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 5 . 317 . 1 1 4 VAL HB H -2.825 0.459 -0.130 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 5 . 318 . 1 1 4 VAL HG11 H -2.966 2.820 0.065 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 5 . 319 . 1 1 4 VAL HG12 H -1.270 2.394 0.303 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 5 . 320 . 1 1 4 VAL HG13 H -1.804 3.064 -1.239 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 5 . 321 . 1 1 4 VAL HG21 H -3.897 0.149 -2.129 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 5 . 322 . 1 1 4 VAL HG22 H -3.986 1.905 -2.002 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 5 . 323 . 1 1 4 VAL HG23 H -2.759 1.157 -3.023 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 5 . 324 . 1 1 4 VAL N N -1.307 -0.980 -1.931 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 5 . 325 . 1 1 4 VAL O O -0.668 0.091 1.040 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 6 . 326 . 1 1 1 PRO C C 1.971 -1.457 -1.990 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 6 . 327 . 1 1 1 PRO CA C 2.130 -0.107 -1.299 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 6 . 328 . 1 1 1 PRO CB C 3.574 0.089 -0.833 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 6 . 329 . 1 1 1 PRO CD C 2.222 -0.004 1.136 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 6 . 330 . 1 1 1 PRO CG C 3.578 -0.356 0.589 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 6 . 331 . 1 1 1 PRO HA H 1.861 0.682 -1.987 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 6 . 332 . 1 1 1 PRO HB2 H 4.236 -0.515 -1.439 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 6 . 333 . 1 1 1 PRO HB3 H 3.847 1.130 -0.921 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 6 . 334 . 1 1 1 PRO HD2 H 1.903 -0.742 1.857 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 6 . 335 . 1 1 1 PRO HD3 H 2.240 0.980 1.583 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 6 . 336 . 1 1 1 PRO HG2 H 3.737 -1.422 0.639 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 6 . 337 . 1 1 1 PRO HG3 H 4.349 0.166 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 6 . 338 . 1 1 1 PRO N N 1.357 -0.023 -0.056 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 6 . 339 . 1 1 1 PRO O O 2.599 -1.717 -3.017 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 6 . 340 . 1 1 2 TYR C C -0.512 -4.130 -1.635 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 6 . 341 . 1 1 2 TYR CA C 0.890 -3.637 -1.982 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 6 . 342 . 1 1 2 TYR CB C 1.934 -4.628 -1.466 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 6 . 343 . 1 1 2 TYR CD1 C 2.642 -5.534 -3.714 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 6 . 344 . 1 1 2 TYR CD2 C 2.025 -7.091 -2.017 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 6 . 345 . 1 1 2 TYR CE1 C 2.890 -6.576 -4.586 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 6 . 346 . 1 1 2 TYR CE2 C 2.272 -8.139 -2.882 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 6 . 347 . 1 1 2 TYR CG C 2.205 -5.772 -2.417 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 6 . 348 . 1 1 2 TYR CZ C 2.704 -7.877 -4.166 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 6 . 349 . 1 1 2 TYR H H 0.658 -2.047 -0.604 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 6 . 350 . 1 1 2 TYR HA H 0.978 -3.563 -3.056 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 6 . 351 . 1 1 2 TYR HB2 H 2.864 -4.107 -1.301 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 6 . 352 . 1 1 2 TYR HB3 H 1.591 -5.047 -0.531 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 6 . 353 . 1 1 2 TYR HD1 H 2.787 -4.514 -4.040 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 6 . 354 . 1 1 2 TYR HD2 H 1.687 -7.293 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 6 . 355 . 1 1 2 TYR HE1 H 3.228 -6.371 -5.591 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 6 . 356 . 1 1 2 TYR HE2 H 2.126 -9.158 -2.554 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 6 . 357 . 1 1 2 TYR HH H 3.844 -9.243 -4.894 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 6 . 358 . 1 1 2 TYR N N 1.129 -2.312 -1.421 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 6 . 359 . 1 1 2 TYR O O -0.713 -4.894 -0.690 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 6 . 360 . 1 1 2 TYR OH O 2.951 -8.918 -5.031 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 6 . 361 . 1 1 3 PRO C C -0.878 -1.376 -3.089 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 6 . 362 . 1 1 3 PRO CA C -1.278 -2.775 -3.545 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 6 . 363 . 1 1 3 PRO CB C -2.635 -2.739 -4.251 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 6 . 364 . 1 1 3 PRO CD C -2.927 -4.034 -2.263 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 6 . 365 . 1 1 3 PRO CG C -3.624 -3.075 -3.189 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 6 . 366 . 1 1 3 PRO HA H -0.529 -3.160 -4.220 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 6 . 367 . 1 1 3 PRO HB2 H -2.808 -1.751 -4.654 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 6 . 368 . 1 1 3 PRO HB3 H -2.650 -3.467 -5.048 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 6 . 369 . 1 1 3 PRO HD2 H -3.254 -3.879 -1.245 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 6 . 370 . 1 1 3 PRO HD3 H -3.109 -5.053 -2.569 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 6 . 371 . 1 1 3 PRO HG2 H -3.910 -2.181 -2.657 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 6 . 372 . 1 1 3 PRO HG3 H -4.491 -3.545 -3.630 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 6 . 373 . 1 1 3 PRO N N -1.505 -3.684 -2.418 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 6 . 374 . 1 1 3 PRO O O -0.160 -0.664 -3.792 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 6 . 375 . 1 1 4 VAL C C -0.137 0.210 -0.130 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 6 . 376 . 1 1 4 VAL CA C -1.035 0.327 -1.356 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 6 . 377 . 1 1 4 VAL CB C -2.316 1.091 -0.970 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 6 . 378 . 1 1 4 VAL CG1 C -1.977 2.494 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 6 . 379 . 1 1 4 VAL CG2 C -3.281 1.140 -2.145 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 6 . 380 . 1 1 4 VAL H H -1.913 -1.599 -1.393 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 6 . 381 . 1 1 4 VAL HA H -0.518 0.894 -2.116 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 6 . 382 . 1 1 4 VAL HB H -2.796 0.563 -0.160 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 6 . 383 . 1 1 4 VAL HG11 H -1.890 2.493 0.587 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 6 . 384 . 1 1 4 VAL HG12 H -1.041 2.808 -0.928 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 6 . 385 . 1 1 4 VAL HG13 H -2.761 3.175 -0.786 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 6 . 386 . 1 1 4 VAL HG21 H -3.960 0.303 -2.087 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 6 . 387 . 1 1 4 VAL HG22 H -3.843 2.062 -2.112 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 6 . 388 . 1 1 4 VAL HG23 H -2.726 1.090 -3.070 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 6 . 389 . 1 1 4 VAL N N -1.346 -0.987 -1.907 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 6 . 390 . 1 1 4 VAL O O -0.617 0.189 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 7 . 391 . 1 1 1 PRO C C 1.990 -1.417 -2.018 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 7 . 392 . 1 1 1 PRO CA C 2.132 -0.058 -1.341 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 7 . 393 . 1 1 1 PRO CB C 3.580 0.171 -0.899 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 7 . 394 . 1 1 1 PRO CD C 2.259 0.070 1.091 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 7 . 395 . 1 1 1 PRO CG C 3.613 -0.261 0.526 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 7 . 396 . 1 1 1 PRO HA H 1.838 0.719 -2.032 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 7 . 397 . 1 1 1 PRO HB2 H 4.244 -0.426 -1.509 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 7 . 398 . 1 1 1 PRO HB3 H 3.830 1.216 -1.001 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 7 . 399 . 1 1 1 PRO HD2 H 1.965 -0.668 1.823 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 7 . 400 . 1 1 1 PRO HD3 H 2.264 1.057 1.528 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 7 . 401 . 1 1 1 PRO HG2 H 3.794 -1.324 0.584 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 7 . 402 . 1 1 1 PRO HG3 H 4.382 0.281 1.056 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 7 . 403 . 1 1 1 PRO N N 1.377 0.022 -0.087 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 7 . 404 . 1 1 1 PRO O O 2.608 -1.675 -3.051 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 7 . 405 . 1 1 2 TYR C C -0.434 -4.135 -1.602 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 7 . 406 . 1 1 2 TYR CA C 0.952 -3.618 -1.974 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 7 . 407 . 1 1 2 TYR CB C 2.023 -4.584 -1.465 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 7 . 408 . 1 1 2 TYR CD1 C 3.296 -5.748 -3.309 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 7 . 409 . 1 1 2 TYR CD2 C 1.451 -6.889 -2.321 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 7 . 410 . 1 1 2 TYR CE1 C 3.517 -6.822 -4.149 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 7 . 411 . 1 1 2 TYR CE2 C 1.666 -7.969 -3.156 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 7 . 412 . 1 1 2 TYR CG C 2.261 -5.762 -2.381 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 7 . 413 . 1 1 2 TYR CZ C 2.700 -7.930 -4.069 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 7 . 414 . 1 1 2 TYR H H 0.709 -2.020 -0.607 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 7 . 415 . 1 1 2 TYR HA H 1.023 -3.552 -3.050 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 7 . 416 . 1 1 2 TYR HB2 H 2.957 -4.053 -1.359 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 7 . 417 . 1 1 2 TYR HB3 H 1.723 -4.968 -0.501 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 7 . 418 . 1 1 2 TYR HD1 H 3.934 -4.878 -3.370 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 7 . 419 . 1 1 2 TYR HD2 H 0.642 -6.916 -1.605 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 7 . 420 . 1 1 2 TYR HE1 H 4.326 -6.792 -4.864 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 7 . 421 . 1 1 2 TYR HE2 H 1.026 -8.836 -3.094 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 7 . 422 . 1 1 2 TYR HH H 2.555 -8.809 -5.772 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 7 . 423 . 1 1 2 TYR N N 1.173 -2.284 -1.429 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 7 . 424 . 1 1 2 TYR O O -0.606 -4.894 -0.648 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 7 . 425 . 1 1 2 TYR OH O 2.916 -9.002 -4.903 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 7 . 426 . 1 1 3 PRO C C -0.876 -1.402 -3.075 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 7 . 427 . 1 1 3 PRO CA C -1.255 -2.813 -3.512 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 7 . 428 . 1 1 3 PRO CB C -2.623 -2.810 -4.199 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 7 . 429 . 1 1 3 PRO CD C -2.860 -4.092 -2.195 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 7 . 430 . 1 1 3 PRO CG C -3.589 -3.156 -3.119 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 7 . 431 . 1 1 3 PRO HA H -0.508 -3.190 -4.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 7 . 432 . 1 1 3 PRO HB2 H -2.821 -1.830 -4.608 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 7 . 433 . 1 1 3 PRO HB3 H -2.634 -3.546 -4.989 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 7 . 434 . 1 1 3 PRO HD2 H -3.174 -3.935 -1.174 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 7 . 435 . 1 1 3 PRO HD3 H -3.026 -5.118 -2.489 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 7 . 436 . 1 1 3 PRO HG2 H -3.885 -2.263 -2.591 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 7 . 437 . 1 1 3 PRO HG3 H -4.453 -3.647 -3.543 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 7 . 438 . 1 1 3 PRO N N -1.447 -3.716 -2.374 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 7 . 439 . 1 1 3 PRO O O -0.182 -0.683 -3.795 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 7 . 440 . 1 1 4 VAL C C -0.123 0.226 -0.142 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 7 . 441 . 1 1 4 VAL CA C -1.042 0.313 -1.356 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 7 . 442 . 1 1 4 VAL CB C -2.331 1.055 -0.957 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 7 . 443 . 1 1 4 VAL CG1 C -2.017 2.480 -0.529 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 7 . 444 . 1 1 4 VAL CG2 C -3.329 1.043 -2.106 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 7 . 445 . 1 1 4 VAL H H -1.882 -1.629 -1.362 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 7 . 446 . 1 1 4 VAL HA H -0.547 0.883 -2.129 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 7 . 447 . 1 1 4 VAL HB H -2.774 0.540 -0.118 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 7 . 448 . 1 1 4 VAL HG11 H -1.976 2.531 0.549 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 7 . 449 . 1 1 4 VAL HG12 H -1.064 2.779 -0.941 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 7 . 450 . 1 1 4 VAL HG13 H -2.789 3.143 -0.890 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 7 . 451 . 1 1 4 VAL HG21 H -4.057 1.826 -1.957 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 7 . 452 . 1 1 4 VAL HG22 H -2.808 1.207 -3.038 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 7 . 453 . 1 1 4 VAL HG23 H -3.829 0.086 -2.138 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 7 . 454 . 1 1 4 VAL N N -1.334 -1.012 -1.890 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 7 . 455 . 1 1 4 VAL O O -0.585 0.205 0.999 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 8 . 456 . 1 1 1 PRO C C 2.035 -1.282 -2.013 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 8 . 457 . 1 1 1 PRO CA C 2.113 0.044 -1.265 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 8 . 458 . 1 1 1 PRO CB C 3.544 0.307 -0.789 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 8 . 459 . 1 1 1 PRO CD C 2.202 0.049 1.172 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 8 . 460 . 1 1 1 PRO CG C 3.576 -0.197 0.612 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 8 . 461 . 1 1 1 PRO HA H 1.796 0.844 -1.919 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 8 . 462 . 1 1 1 PRO HB2 H 4.239 -0.229 -1.419 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 8 . 463 . 1 1 1 PRO HB3 H 3.752 1.366 -0.833 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 8 . 464 . 1 1 1 PRO HD2 H 1.929 -0.737 1.860 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 8 . 465 . 1 1 1 PRO HD3 H 2.161 1.011 1.661 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 8 . 466 . 1 1 1 PRO HG2 H 3.799 -1.253 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 8 . 467 . 1 1 1 PRO HG3 H 4.315 0.347 1.181 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 8 . 468 . 1 1 1 PRO N N 1.338 0.028 -0.020 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 8 . 469 . 1 1 1 PRO O O 2.676 -1.460 -3.050 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 8 . 470 . 1 1 2 TYR C C -0.281 -4.113 -1.777 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 8 . 471 . 1 1 2 TYR CA C 1.087 -3.521 -2.100 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 8 . 472 . 1 1 2 TYR CB C 2.190 -4.469 -1.625 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 8 . 473 . 1 1 2 TYR CD1 C 2.948 -5.744 -3.669 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 8 . 474 . 1 1 2 TYR CD2 C 1.734 -6.926 -1.992 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 8 . 475 . 1 1 2 TYR CE1 C 3.044 -6.900 -4.420 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 8 . 476 . 1 1 2 TYR CE2 C 1.826 -8.086 -2.736 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 8 . 477 . 1 1 2 TYR CG C 2.293 -5.737 -2.443 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 8 . 478 . 1 1 2 TYR CZ C 2.482 -8.068 -3.949 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 8 . 479 . 1 1 2 TYR H H 0.761 -2.009 -0.655 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 8 . 480 . 1 1 2 TYR HA H 1.169 -3.397 -3.170 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 8 . 481 . 1 1 2 TYR HB2 H 3.140 -3.961 -1.681 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 8 . 482 . 1 1 2 TYR HB3 H 1.997 -4.750 -0.600 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 8 . 483 . 1 1 2 TYR HD1 H 3.387 -4.828 -4.035 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 8 . 484 . 1 1 2 TYR HD2 H 1.221 -6.936 -1.041 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 8 . 485 . 1 1 2 TYR HE1 H 3.558 -6.886 -5.370 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 8 . 486 . 1 1 2 TYR HE2 H 1.386 -9.001 -2.367 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 8 . 487 . 1 1 2 TYR HH H 1.858 -9.248 -5.332 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 8 . 488 . 1 1 2 TYR N N 1.247 -2.210 -1.483 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 8 . 489 . 1 1 2 TYR O O -0.435 -4.927 -0.866 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 8 . 490 . 1 1 2 TYR OH O 2.575 -9.221 -4.694 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 8 . 491 . 1 1 3 PRO C C -0.815 -1.326 -3.113 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 8 . 492 . 1 1 3 PRO CA C -1.130 -2.726 -3.628 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 8 . 493 . 1 1 3 PRO CB C -2.488 -2.743 -4.335 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 8 . 494 . 1 1 3 PRO CD C -2.699 -4.136 -2.404 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 8 . 495 . 1 1 3 PRO CG C -3.454 -3.183 -3.289 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 8 . 496 . 1 1 3 PRO HA H -0.359 -3.036 -4.319 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 8 . 497 . 1 1 3 PRO HB2 H -2.720 -1.751 -4.696 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 8 . 498 . 1 1 3 PRO HB3 H -2.459 -3.436 -5.162 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 8 . 499 . 1 1 3 PRO HD2 H -3.033 -4.045 -1.381 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 8 . 500 . 1 1 3 PRO HD3 H -2.819 -5.151 -2.753 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 8 . 501 . 1 1 3 PRO HG2 H -3.793 -2.331 -2.720 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 8 . 502 . 1 1 3 PRO HG3 H -4.291 -3.685 -3.752 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 8 . 503 . 1 1 3 PRO N N -1.301 -3.695 -2.541 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 8 . 504 . 1 1 3 PRO O O -0.142 -0.543 -3.784 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 8 . 505 . 1 1 4 VAL C C -0.168 0.174 -0.088 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 8 . 506 . 1 1 4 VAL CA C -1.073 0.288 -1.309 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 8 . 507 . 1 1 4 VAL CB C -2.397 0.956 -0.893 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 8 . 508 . 1 1 4 VAL CG1 C -2.138 2.336 -0.306 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 8 . 509 . 1 1 4 VAL CG2 C -3.346 1.042 -2.079 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 8 . 510 . 1 1 4 VAL H H -1.833 -1.683 -1.429 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 8 . 511 . 1 1 4 VAL HA H -0.592 0.918 -2.044 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 8 . 512 . 1 1 4 VAL HB H -2.860 0.347 -0.132 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 8 . 513 . 1 1 4 VAL HG11 H -1.716 2.976 -1.067 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 8 . 514 . 1 1 4 VAL HG12 H -3.068 2.757 0.047 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 8 . 515 . 1 1 4 VAL HG13 H -1.445 2.251 0.518 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 8 . 516 . 1 1 4 VAL HG21 H -3.401 0.080 -2.565 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 8 . 517 . 1 1 4 VAL HG22 H -4.329 1.328 -1.734 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 8 . 518 . 1 1 4 VAL HG23 H -2.982 1.779 -2.779 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 8 . 519 . 1 1 4 VAL N N -1.304 -1.017 -1.916 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 8 . 520 . 1 1 4 VAL O O -0.644 0.076 1.043 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 9 . 521 . 1 1 1 PRO C C 1.976 -1.415 -2.015 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 9 . 522 . 1 1 1 PRO CA C 2.116 -0.066 -1.318 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 9 . 523 . 1 1 1 PRO CB C 3.561 0.152 -0.860 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 9 . 524 . 1 1 1 PRO CD C 2.224 0.026 1.117 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 9 . 525 . 1 1 1 PRO CG C 3.581 -0.301 0.559 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 9 . 526 . 1 1 1 PRO HA H 1.830 0.722 -1.999 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 9 . 527 . 1 1 1 PRO HB2 H 4.228 -0.438 -1.473 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 9 . 528 . 1 1 1 PRO HB3 H 3.815 1.198 -0.944 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 9 . 529 . 1 1 1 PRO HD2 H 1.921 -0.722 1.836 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 9 . 530 . 1 1 1 PRO HD3 H 2.228 1.007 1.569 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 9 . 531 . 1 1 1 PRO HG2 H 3.759 -1.365 0.603 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 9 . 532 . 1 1 1 PRO HG3 H 4.348 0.232 1.103 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 9 . 533 . 1 1 1 PRO N N 1.351 -0.002 -0.069 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 9 . 534 . 1 1 1 PRO O O 2.601 -1.659 -3.047 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 9 . 535 . 1 1 2 TYR C C -0.459 -4.131 -1.659 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 9 . 536 . 1 1 2 TYR CA C 0.931 -3.612 -2.012 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 9 . 537 . 1 1 2 TYR CB C 1.995 -4.589 -1.508 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 9 . 538 . 1 1 2 TYR CD1 C 2.803 -5.599 -3.677 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 9 . 539 . 1 1 2 TYR CD2 C 1.847 -7.051 -2.047 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 9 . 540 . 1 1 2 TYR CE1 C 3.009 -6.673 -4.521 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 9 . 541 . 1 1 2 TYR CE2 C 2.051 -8.132 -2.883 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 9 . 542 . 1 1 2 TYR CG C 2.219 -5.768 -2.428 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 9 . 543 . 1 1 2 TYR CZ C 2.631 -7.938 -4.119 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 9 . 544 . 1 1 2 TYR H H 0.682 -2.034 -0.624 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 9 . 545 . 1 1 2 TYR HA H 1.011 -3.531 -3.086 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 9 . 546 . 1 1 2 TYR HB2 H 2.934 -4.066 -1.405 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 9 . 547 . 1 1 2 TYR HB3 H 1.695 -4.972 -0.544 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 9 . 548 . 1 1 2 TYR HD1 H 3.098 -4.607 -3.988 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 9 . 549 . 1 1 2 TYR HD2 H 1.393 -7.200 -1.078 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 9 . 550 . 1 1 2 TYR HE1 H 3.464 -6.521 -5.488 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 9 . 551 . 1 1 2 TYR HE2 H 1.755 -9.122 -2.570 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 9 . 552 . 1 1 2 TYR HH H 3.773 -9.211 -4.995 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 9 . 553 . 1 1 2 TYR N N 1.152 -2.287 -1.445 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 9 . 554 . 1 1 2 TYR O O -0.641 -4.903 -0.717 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 9 . 555 . 1 1 2 TYR OH O 2.835 -9.011 -4.956 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 9 . 556 . 1 1 3 PRO C C -0.881 -1.375 -3.095 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 9 . 557 . 1 1 3 PRO CA C -1.261 -2.778 -3.556 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 9 . 558 . 1 1 3 PRO CB C -2.623 -2.762 -4.253 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 9 . 559 . 1 1 3 PRO CD C -2.881 -4.071 -2.270 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 9 . 560 . 1 1 3 PRO CG C -3.599 -3.120 -3.186 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 9 . 561 . 1 1 3 PRO HA H -0.509 -3.147 -4.239 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 9 . 562 . 1 1 3 PRO HB2 H -2.815 -1.774 -4.650 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 9 . 563 . 1 1 3 PRO HB3 H -2.631 -3.485 -5.054 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 9 . 564 . 1 1 3 PRO HD2 H -3.203 -3.928 -1.250 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 9 . 565 . 1 1 3 PRO HD3 H -3.047 -5.093 -2.581 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 9 . 566 . 1 1 3 PRO HG2 H -3.897 -2.234 -2.648 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 9 . 567 . 1 1 3 PRO HG3 H -4.461 -3.602 -3.625 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 9 . 568 . 1 1 3 PRO N N -1.465 -3.698 -2.433 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 9 . 569 . 1 1 3 PRO O O -0.180 -0.648 -3.798 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 9 . 570 . 1 1 4 VAL C C -0.148 0.207 -0.132 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 9 . 571 . 1 1 4 VAL CA C -1.056 0.315 -1.352 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 9 . 572 . 1 1 4 VAL CB C -2.347 1.055 -0.953 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 9 . 573 . 1 1 4 VAL CG1 C -2.019 2.412 -0.349 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 9 . 574 . 1 1 4 VAL CG2 C -3.267 1.206 -2.155 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 9 . 575 . 1 1 4 VAL H H -1.902 -1.624 -1.394 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 9 . 576 . 1 1 4 VAL HA H -0.554 0.895 -2.113 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 9 . 577 . 1 1 4 VAL HB H -2.859 0.467 -0.206 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 9 . 578 . 1 1 4 VAL HG11 H -1.181 2.846 -0.873 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 9 . 579 . 1 1 4 VAL HG12 H -2.877 3.063 -0.438 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 9 . 580 . 1 1 4 VAL HG13 H -1.767 2.290 0.694 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 9 . 581 . 1 1 4 VAL HG21 H -3.634 0.234 -2.451 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 9 . 582 . 1 1 4 VAL HG22 H -4.101 1.841 -1.893 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 9 . 583 . 1 1 4 VAL HG23 H -2.721 1.649 -2.974 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 9 . 584 . 1 1 4 VAL N N -1.348 -1.001 -1.908 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 9 . 585 . 1 1 4 VAL O O -0.619 0.172 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 1
. 10 . 586 . 1 1 1 PRO C C 1.998 -1.414 -1.972 . . . 1.0 . . . . . . . . . . . . A . 1 PRO C . . . . . . . . . rr_6dny 1
. 10 . 587 . 1 1 1 PRO CA C 2.122 -0.062 -1.277 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CA . . . . . . . . . rr_6dny 1
. 10 . 588 . 1 1 1 PRO CB C 3.556 0.161 -0.792 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CB . . . . . . . . . rr_6dny 1
. 10 . 589 . 1 1 1 PRO CD C 2.181 0.038 1.159 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CD . . . . . . . . . rr_6dny 1
. 10 . 590 . 1 1 1 PRO CG C 3.550 -0.287 0.629 . . . 1.0 . . . . . . . . . . . . A . 1 PRO CG . . . . . . . . . rr_6dny 1
. 10 . 591 . 1 1 1 PRO HA H 1.847 0.722 -1.966 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HA . . . . . . . . . rr_6dny 1
. 10 . 592 . 1 1 1 PRO HB2 H 4.237 -0.429 -1.390 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB2 . . . . . . . . . rr_6dny 1
. 10 . 593 . 1 1 1 PRO HB3 H 3.810 1.207 -0.875 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HB3 . . . . . . . . . rr_6dny 1
. 10 . 594 . 1 1 1 PRO HD2 H 1.867 -0.707 1.875 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD2 . . . . . . . . . rr_6dny 1
. 10 . 595 . 1 1 1 PRO HD3 H 2.174 1.021 1.608 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HD3 . . . . . . . . . rr_6dny 1
. 10 . 596 . 1 1 1 PRO HG2 H 3.730 -1.350 0.680 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG2 . . . . . . . . . rr_6dny 1
. 10 . 597 . 1 1 1 PRO HG3 H 4.305 0.249 1.185 . . . 1.0 . . . . . . . . . . . . A . 1 PRO HG3 . . . . . . . . . rr_6dny 1
. 10 . 598 . 1 1 1 PRO N N 1.332 0.004 -0.043 . . . 1.0 . . . . . . . . . . . . A . 1 PRO N . . . . . . . . . rr_6dny 1
. 10 . 599 . 1 1 1 PRO O O 2.644 -1.660 -2.991 . . . 1.0 . . . . . . . . . . . . A . 1 PRO O . . . . . . . . . rr_6dny 1
. 10 . 600 . 1 1 2 TYR C C -0.436 -4.136 -1.653 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_6dny 1
. 10 . 601 . 1 1 2 TYR CA C 0.960 -3.614 -1.981 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_6dny 1
. 10 . 602 . 1 1 2 TYR CB C 2.016 -4.586 -1.453 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_6dny 1
. 10 . 603 . 1 1 2 TYR CD1 C 2.792 -5.578 -3.642 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_6dny 1
. 10 . 604 . 1 1 2 TYR CD2 C 1.979 -7.060 -1.960 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_6dny 1
. 10 . 605 . 1 1 2 TYR CE1 C 3.022 -6.651 -4.482 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_6dny 1
. 10 . 606 . 1 1 2 TYR CE2 C 2.208 -8.138 -2.793 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_6dny 1
. 10 . 607 . 1 1 2 TYR CG C 2.267 -5.763 -2.368 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_6dny 1
. 10 . 608 . 1 1 2 TYR CZ C 2.729 -7.928 -4.053 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_6dny 1
. 10 . 609 . 1 1 2 TYR H H 0.679 -2.032 -0.603 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_6dny 1
. 10 . 610 . 1 1 2 TYR HA H 1.060 -3.537 -3.054 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_6dny 1
. 10 . 611 . 1 1 2 TYR HB2 H 2.950 -4.060 -1.328 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_6dny 1
. 10 . 612 . 1 1 2 TYR HB3 H 1.695 -4.972 -0.497 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_6dny 1
. 10 . 613 . 1 1 2 TYR HD1 H 3.020 -4.576 -3.975 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_6dny 1
. 10 . 614 . 1 1 2 TYR HD2 H 1.571 -7.220 -0.973 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_6dny 1
. 10 . 615 . 1 1 2 TYR HE1 H 3.431 -6.487 -5.468 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_6dny 1
. 10 . 616 . 1 1 2 TYR HE2 H 1.978 -9.138 -2.458 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_6dny 1
. 10 . 617 . 1 1 2 TYR HH H 2.245 -9.064 -5.527 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_6dny 1
. 10 . 618 . 1 1 2 TYR N N 1.166 -2.286 -1.415 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_6dny 1
. 10 . 619 . 1 1 2 TYR O O -0.635 -4.904 -0.712 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_6dny 1
. 10 . 620 . 1 1 2 TYR OH O 2.957 -9.000 -4.886 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_6dny 1
. 10 . 621 . 1 1 3 PRO C C -0.837 -1.386 -3.107 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_6dny 1
. 10 . 622 . 1 1 3 PRO CA C -1.204 -2.792 -3.570 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_6dny 1
. 10 . 623 . 1 1 3 PRO CB C -2.553 -2.781 -4.294 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_6dny 1
. 10 . 624 . 1 1 3 PRO CD C -2.845 -4.085 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_6dny 1
. 10 . 625 . 1 1 3 PRO CG C -3.549 -3.139 -3.245 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_6dny 1
. 10 . 626 . 1 1 3 PRO HA H -0.439 -3.161 -4.237 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_6dny 1
. 10 . 627 . 1 1 3 PRO HB2 H -2.740 -1.796 -4.698 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_6dny 1
. 10 . 628 . 1 1 3 PRO HB3 H -2.543 -3.508 -5.092 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_6dny 1
. 10 . 629 . 1 1 3 PRO HD2 H -3.187 -3.939 -1.298 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_6dny 1
. 10 . 630 . 1 1 3 PRO HD3 H -3.003 -5.107 -2.621 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_6dny 1
. 10 . 631 . 1 1 3 PRO HG2 H -3.859 -2.251 -2.716 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_6dny 1
. 10 . 632 . 1 1 3 PRO HG3 H -4.400 -3.624 -3.698 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_6dny 1
. 10 . 633 . 1 1 3 PRO N N -1.428 -3.708 -2.448 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_6dny 1
. 10 . 634 . 1 1 3 PRO O O -0.125 -0.660 -3.800 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_6dny 1
. 10 . 635 . 1 1 4 VAL C C -0.166 0.209 -0.137 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_6dny 1
. 10 . 636 . 1 1 4 VAL CA C -1.050 0.310 -1.374 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_6dny 1
. 10 . 637 . 1 1 4 VAL CB C -2.350 1.048 -1.004 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_6dny 1
. 10 . 638 . 1 1 4 VAL CG1 C -2.039 2.413 -0.409 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_6dny 1
. 10 . 639 . 1 1 4 VAL CG2 C -3.252 1.181 -2.221 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_6dny 1
. 10 . 640 . 1 1 4 VAL H H -1.890 -1.632 -1.425 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_6dny 1
. 10 . 641 . 1 1 4 VAL HA H -0.535 0.889 -2.127 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_6dny 1
. 10 . 642 . 1 1 4 VAL HB H -2.871 0.466 -0.258 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_6dny 1
. 10 . 643 . 1 1 4 VAL HG11 H -2.818 3.110 -0.680 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_6dny 1
. 10 . 644 . 1 1 4 VAL HG12 H -1.983 2.333 0.667 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_6dny 1
. 10 . 645 . 1 1 4 VAL HG13 H -1.093 2.765 -0.794 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_6dny 1
. 10 . 646 . 1 1 4 VAL HG21 H -3.833 0.278 -2.339 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_6dny 1
. 10 . 647 . 1 1 4 VAL HG22 H -3.918 2.022 -2.087 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_6dny 1
. 10 . 648 . 1 1 4 VAL HG23 H -2.648 1.339 -3.102 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_6dny 1
. 10 . 649 . 1 1 4 VAL N N -1.328 -1.009 -1.931 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_6dny 1
. 10 . 650 . 1 1 4 VAL O O -0.659 0.176 0.990 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_6dny 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_6dny
_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 6dny.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6dny 1
1 6dny.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 12 rr_6dny 1
1 6dny.mr . . DYANA/DIANA 3 distance NOE simple 16 rr_6dny 1
1 6dny.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6dny 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_6dny
_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: '6dny'" . . . . distance "general distance" . 16 rr_6dny 1
2 "From CCPN project: '6dny'" . . . . "dihedral angle" "Not applicable" . 3 rr_6dny 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 6dny.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6dny 1
1 6dny.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 12 rr_6dny 1
1 6dny.mr . . DYANA/DIANA 3 distance NOE simple 16 rr_6dny 1
1 6dny.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6dny 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_6dny
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6dny 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 1 1 PRO HD3 H . . . 1 1 4 4 VAL H H . . . . . . . 5.50 . . . . . A . 1 PRO HD3 . . A . 4 VAL H . . . 1 PRO HD2 . . . . . 4 VAL H . . rr_6dny 1
2 1 . . 1 1 4 4 VAL H H . . . 1 1 2 2 TYR H H . . . . . . . 2.70 . . . . . A . 4 VAL H . . A . 2 TYR H . . . 4 VAL H . . . . . 2 TYR H . . rr_6dny 1
3 1 . . 1 1 2 2 TYR H H . . . 1 1 4 4 VAL HA H . . . . . . . 4.09 . . . . . A . 2 TYR H . . A . 4 VAL HA . . . 2 TYR H . . . . . 4 VAL HA . . rr_6dny 1
4 1 . . 1 1 4 4 VAL HA H . . . 1 1 1 1 PRO HA H . . . . . . . 2.40 . . . . . A . 4 VAL HA . . A . 1 PRO HA . . . 4 VAL HA . . . . . 1 PRO HA . . rr_6dny 1
5 1 . . 1 1 1 1 PRO HD3 H . . . 1 1 2 2 TYR H H . . . . . . . 3.42 . . . . . A . 1 PRO HD3 . . A . 2 TYR H . . . 1 PRO HD2 . . . . . 2 TYR H . . rr_6dny 1
6 1 . . 1 1 2 2 TYR H H . . . 1 1 1 1 PRO HA H . . . . . . . 3.28 . . . . . A . 2 TYR H . . A . 1 PRO HA . . . 2 TYR H . . . . . 1 PRO HA . . rr_6dny 1
7 1 . . 1 1 2 2 TYR H H . . . 1 1 1 1 PRO HG3 H . . . . . . . 4.00 . . . . . A . 2 TYR H . . A . 1 PRO HG3 . . . 2 TYR H . . . . . 1 PRO HG2 . . rr_6dny 1
8 1 . . 1 1 2 2 TYR H H . . . 1 1 3 3 PRO HA H . . . . . . . 3.89 . . . . . A . 2 TYR H . . A . 3 PRO HA . . . 2 TYR H . . . . . 3 PRO HA . . rr_6dny 1
9 1 . . 1 1 3 3 PRO HA H . . . 1 1 2 2 TYR HA H . . . . . . . 2.40 . . . . . A . 3 PRO HA . . A . 2 TYR HA . . . 3 PRO HA . . . . . 2 TYR HA . . rr_6dny 1
10 1 OR . 1 1 1 1 PRO HA H . . . 1 1 4 4 VAL MG1 H . . . . . . . 3.71 . . . . . A . 1 PRO HA . . A . 4 VAL MG1 . . . 1 PRO HA . . . . . 4 VAL QQG . . rr_6dny 1
10 2 OR . 1 1 1 1 PRO HA H . . . 1 1 4 4 VAL MG2 H . . . . . . . 3.71 . . . . . A . 1 PRO HA . . A . 4 VAL MG2 . . . 1 PRO HA . . . . . 4 VAL QQG . . rr_6dny 1
11 1 OR . 1 1 1 1 PRO HD3 H . . . 1 1 4 4 VAL MG1 H . . . . . . . 5.19 . . . . . A . 1 PRO HD3 . . A . 4 VAL MG1 . . . 1 PRO HD2 . . . . . 4 VAL QQG . . rr_6dny 1
11 2 OR . 1 1 1 1 PRO HD3 H . . . 1 1 4 4 VAL MG2 H . . . . . . . 5.19 . . . . . A . 1 PRO HD3 . . A . 4 VAL MG2 . . . 1 PRO HD2 . . . . . 4 VAL QQG . . rr_6dny 1
12 1 OR . 1 1 2 2 TYR H H . . . 1 1 3 3 PRO HG2 H . . . . . . . 5.35 . . . . . A . 2 TYR H . . A . 3 PRO HG2 . . . 2 TYR H . . . . . 3 PRO QG . . rr_6dny 1
12 2 OR . 1 1 2 2 TYR H H . . . 1 1 3 3 PRO HG3 H . . . . . . . 5.35 . . . . . A . 2 TYR H . . A . 3 PRO HG3 . . . 2 TYR H . . . . . 3 PRO QG . . rr_6dny 1
13 1 OR . 1 1 2 2 TYR HA H . . . 1 1 3 3 PRO HB2 H . . . . . . . 4.30 . . . . . A . 2 TYR HA . . A . 3 PRO HB2 . . . 2 TYR HA . . . . . 3 PRO QB . . rr_6dny 1
13 2 OR . 1 1 2 2 TYR HA H . . . 1 1 3 3 PRO HB3 H . . . . . . . 4.30 . . . . . A . 2 TYR HA . . A . 3 PRO HB3 . . . 2 TYR HA . . . . . 3 PRO QB . . rr_6dny 1
14 1 OR . 1 1 2 2 TYR QD H . . . 1 1 3 3 PRO HD2 H . . . . . . . 5.35 . . . . . A . 2 TYR QD . . A . 3 PRO HD2 . . . 2 TYR QD . . . . . 3 PRO QD . . rr_6dny 1
14 2 OR . 1 1 2 2 TYR QD H . . . 1 1 3 3 PRO HD3 H . . . . . . . 5.35 . . . . . A . 2 TYR QD . . A . 3 PRO HD3 . . . 2 TYR QD . . . . . 3 PRO QD . . rr_6dny 1
15 1 OR . 1 1 4 4 VAL H H . . . 1 1 3 3 PRO HB2 H . . . . . . . 3.90 . . . . . A . 4 VAL H . . A . 3 PRO HB2 . . . 4 VAL H . . . . . 3 PRO QB . . rr_6dny 1
15 2 OR . 1 1 4 4 VAL H H . . . 1 1 3 3 PRO HB3 H . . . . . . . 3.90 . . . . . A . 4 VAL H . . A . 3 PRO HB3 . . . 4 VAL H . . . . . 3 PRO QB . . rr_6dny 1
16 1 . . 1 1 1 1 PRO N N . . . 1 1 4 4 VAL C C . . . . . . . 1.30 . . . . . A . 1 PRO N . . A . 4 VAL C . . . 1 PRO N . . . . . 4 VAL C . . rr_6dny 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 "Restraints file 3: final.upl" 1 1 1 30 rr_6dny 1
2 "peak 21 #SUP 1.00" 2 39 2 56 rr_6dny 1
3 "peak 22 #SUP 0.99 #QF 0.99" 3 39 3 65 rr_6dny 1
4 "peak 44 #SUP 0.99 #QF 0.99" 4 39 4 65 rr_6dny 1
5 "peak 64 #SUP 0.99 #QF 0.99" 5 39 5 65 rr_6dny 1
6 "peak 87 #SUP 1.00" 6 39 6 56 rr_6dny 1
7 "peak 101 #SUP 0.97 #QF 0.97" 7 39 7 66 rr_6dny 1
8 "peak 105 #SUP 0.73 #QF 0.73" 8 39 8 66 rr_6dny 1
9 "peak 107 #SUP 0.98 #QF 0.98" 9 39 9 66 rr_6dny 1
10 "peak 151 #SUP 0.99 #QF 0.99" 10 39 10 66 rr_6dny 1
11 "peak 161" 11 39 11 47 rr_6dny 1
12 "peak 14" 12 39 12 46 rr_6dny 1
13 "peak 106" 13 39 13 47 rr_6dny 1
14 "peak 53" 14 39 14 46 rr_6dny 1
15 "peak 111" 15 39 15 47 rr_6dny 1
16 "peak 16" 16 39 16 46 rr_6dny 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_6dny
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6dny 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_6dny 1
2 1 . . . rr_6dny 1
3 1 . . . rr_6dny 1
4 1 . . . rr_6dny 1
5 1 . . . rr_6dny 1
6 1 . . . rr_6dny 1
7 1 . . . rr_6dny 1
8 1 . . . rr_6dny 1
9 1 . . . rr_6dny 1
10 1 2 . OR rr_6dny 1
10 2 . 3 . rr_6dny 1
10 3 . . . rr_6dny 1
11 1 2 . OR rr_6dny 1
11 2 . 3 . rr_6dny 1
11 3 . . . rr_6dny 1
12 1 2 . OR rr_6dny 1
12 2 . 3 . rr_6dny 1
12 3 . . . rr_6dny 1
13 1 2 . OR rr_6dny 1
13 2 . 3 . rr_6dny 1
13 3 . . . rr_6dny 1
14 1 2 . OR rr_6dny 1
14 2 . 3 . rr_6dny 1
14 3 . . . rr_6dny 1
15 1 2 . OR rr_6dny 1
15 2 . 3 . rr_6dny 1
15 3 . . . rr_6dny 1
16 1 . . . rr_6dny 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 1 1 PRO HD3 H . . . . 1 PRO HD2 rr_6dny 1
1 1 . 2 . 1 1 4 4 VAL H H . . . . 4 VAL H rr_6dny 1
2 1 . 1 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
2 1 . 2 . 1 1 4 4 VAL H H . . . . 4 VAL H rr_6dny 1
3 1 . 1 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
3 1 . 2 . 1 1 4 4 VAL HA H . . . . 4 VAL HA rr_6dny 1
4 1 . 1 . 1 1 1 1 PRO HA H . . . . 1 PRO HA rr_6dny 1
4 1 . 2 . 1 1 4 4 VAL HA H . . . . 4 VAL HA rr_6dny 1
5 1 . 1 . 1 1 1 1 PRO HD3 H . . . . 1 PRO HD2 rr_6dny 1
5 1 . 2 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
6 1 . 1 . 1 1 1 1 PRO HA H . . . . 1 PRO HA rr_6dny 1
6 1 . 2 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
7 1 . 1 . 1 1 1 1 PRO HG3 H . . . . 1 PRO HG2 rr_6dny 1
7 1 . 2 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
8 1 . 1 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
8 1 . 2 . 1 1 3 3 PRO HA H . . . . 3 PRO HA rr_6dny 1
9 1 . 1 . 1 1 2 2 TYR HA H . . . . 2 TYR HA rr_6dny 1
9 1 . 2 . 1 1 3 3 PRO HA H . . . . 3 PRO HA rr_6dny 1
10 2 . 1 . 1 1 1 1 PRO HA H . . . . 1 PRO HA rr_6dny 1
10 2 . 2 . 1 1 4 4 VAL MG1 H . . . . 4 VAL QQG rr_6dny 1
10 3 . 1 . 1 1 1 1 PRO HA H . . . . 1 PRO HA rr_6dny 1
10 3 . 2 . 1 1 4 4 VAL MG2 H . . . . 4 VAL QQG rr_6dny 1
11 2 . 1 . 1 1 1 1 PRO HD3 H . . . . 1 PRO HD2 rr_6dny 1
11 2 . 2 . 1 1 4 4 VAL MG1 H . . . . 4 VAL QQG rr_6dny 1
11 3 . 1 . 1 1 1 1 PRO HD3 H . . . . 1 PRO HD2 rr_6dny 1
11 3 . 2 . 1 1 4 4 VAL MG2 H . . . . 4 VAL QQG rr_6dny 1
12 2 . 1 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
12 2 . 2 . 1 1 3 3 PRO HG2 H . . . . 3 PRO QG rr_6dny 1
12 3 . 1 . 1 1 2 2 TYR H H . . . . 2 TYR H rr_6dny 1
12 3 . 2 . 1 1 3 3 PRO HG3 H . . . . 3 PRO QG rr_6dny 1
13 2 . 1 . 1 1 2 2 TYR HA H . . . . 2 TYR HA rr_6dny 1
13 2 . 2 . 1 1 3 3 PRO HB2 H . . . . 3 PRO QB rr_6dny 1
13 3 . 1 . 1 1 2 2 TYR HA H . . . . 2 TYR HA rr_6dny 1
13 3 . 2 . 1 1 3 3 PRO HB3 H . . . . 3 PRO QB rr_6dny 1
14 2 . 1 . 1 1 2 2 TYR QD H . . . . 2 TYR QD rr_6dny 1
14 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 PRO QD rr_6dny 1
14 3 . 1 . 1 1 2 2 TYR QD H . . . . 2 TYR QD rr_6dny 1
14 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 PRO QD rr_6dny 1
15 2 . 1 . 1 1 3 3 PRO HB2 H . . . . 3 PRO QB rr_6dny 1
15 2 . 2 . 1 1 4 4 VAL H H . . . . 4 VAL H rr_6dny 1
15 3 . 1 . 1 1 3 3 PRO HB3 H . . . . 3 PRO QB rr_6dny 1
15 3 . 2 . 1 1 4 4 VAL H H . . . . 4 VAL H rr_6dny 1
16 1 . 1 . 1 1 1 1 PRO N N . . . . 1 PRO N rr_6dny 1
16 1 . 2 . 1 1 4 4 VAL C C . . . . 4 VAL C rr_6dny 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 . . . . . . . . 5.50 rr_6dny 1
2 1 . . . . . . . . 2.70 rr_6dny 1
3 1 . . . . . . . . 4.09 rr_6dny 1
4 1 . . . . . . . . 2.40 rr_6dny 1
5 1 . . . . . . . . 3.42 rr_6dny 1
6 1 . . . . . . . . 3.28 rr_6dny 1
7 1 . . . . . . . . 4.00 rr_6dny 1
8 1 . . . . . . . . 3.89 rr_6dny 1
9 1 . . . . . . . . 2.40 rr_6dny 1
10 2 . . . . . . . . 3.71 rr_6dny 1
10 3 . . . . . . . . 3.71 rr_6dny 1
11 2 . . . . . . . . 5.19 rr_6dny 1
11 3 . . . . . . . . 5.19 rr_6dny 1
12 2 . . . . . . . . 5.35 rr_6dny 1
12 3 . . . . . . . . 5.35 rr_6dny 1
13 2 . . . . . . . . 4.30 rr_6dny 1
13 3 . . . . . . . . 4.30 rr_6dny 1
14 2 . . . . . . . . 5.35 rr_6dny 1
14 3 . . . . . . . . 5.35 rr_6dny 1
15 2 . . . . . . . . 3.90 rr_6dny 1
15 3 . . . . . . . . 3.90 rr_6dny 1
16 1 . . . . . . . . 1.30 rr_6dny 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 "Restraints file 3: final.upl" 1 1 1 30 rr_6dny 1
2 "peak 21 #SUP 1.00" 2 39 2 56 rr_6dny 1
3 "peak 22 #SUP 0.99 #QF 0.99" 3 39 3 65 rr_6dny 1
4 "peak 44 #SUP 0.99 #QF 0.99" 4 39 4 65 rr_6dny 1
5 "peak 64 #SUP 0.99 #QF 0.99" 5 39 5 65 rr_6dny 1
6 "peak 87 #SUP 1.00" 6 39 6 56 rr_6dny 1
7 "peak 101 #SUP 0.97 #QF 0.97" 7 39 7 66 rr_6dny 1
8 "peak 105 #SUP 0.73 #QF 0.73" 8 39 8 66 rr_6dny 1
9 "peak 107 #SUP 0.98 #QF 0.98" 9 39 9 66 rr_6dny 1
10 "peak 151 #SUP 0.99 #QF 0.99" 10 39 10 66 rr_6dny 1
11 "peak 161" 11 39 11 47 rr_6dny 1
12 "peak 14" 12 39 12 46 rr_6dny 1
13 "peak 106" 13 39 13 47 rr_6dny 1
14 "peak 53" 14 39 14 46 rr_6dny 1
15 "peak 111" 15 39 15 47 rr_6dny 1
16 "peak 16" 16 39 16 46 rr_6dny 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_6dny
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6dny 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 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL C C . -175.0 75.0 . . . A . 3 PRO C . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL C . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 1
2 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL C C . -255.0 -25.0 . . . A . 3 PRO C . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL C . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 1
3 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL C C . -135.0 75.0 . . . A . 3 PRO C . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL C . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 1
4 CHI1 . 1 1 2 2 TYR N N . . 1 1 2 2 TYR CA C . . 1 1 2 2 TYR CB C . . 1 1 2 2 TYR CG C . -90.0 210.0 . . . A . 2 TYR N . . A . 2 TYR CA . . A . 2 TYR CB . . A . 2 TYR CG . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . rr_6dny 1
5 CHI1 . 1 1 2 2 TYR N N . . 1 1 2 2 TYR CA C . . 1 1 2 2 TYR CB C . . 1 1 2 2 TYR CG C . -330.0 -30.0 . . . A . 2 TYR N . . A . 2 TYR CA . . A . 2 TYR CB . . A . 2 TYR CG . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . rr_6dny 1
6 CHI1 . 1 1 2 2 TYR N N . . 1 1 2 2 TYR CA C . . 1 1 2 2 TYR CB C . . 1 1 2 2 TYR CG C . -210.0 90.0 . . . A . 2 TYR N . . A . 2 TYR CA . . A . 2 TYR CB . . A . 2 TYR CG . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . . . . 2 TYR . . . rr_6dny 1
7 CHI1 . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL CB C . . 1 1 4 4 VAL CG1 C . -90.0 210.0 . . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL CB . . A . 4 VAL CG1 . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 1
8 CHI1 . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL CB C . . 1 1 4 4 VAL CG1 C . -330.0 -30.0 . . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL CB . . A . 4 VAL CG1 . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 1
9 CHI1 . 1 1 4 4 VAL N N . . 1 1 4 4 VAL CA C . . 1 1 4 4 VAL CB C . . 1 1 4 4 VAL CG1 C . -210.0 90.0 . . . A . 4 VAL N . . A . 4 VAL CA . . A . 4 VAL CB . . A . 4 VAL CG1 . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . . . . 4 VAL . . . rr_6dny 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 type=2 2 43 2 49 rr_6dny 1
2 type=2 3 43 3 49 rr_6dny 1
3 "type=2 OR" 4 43 4 52 rr_6dny 1
4 type=2 5 43 5 49 rr_6dny 1
5 "type=2 OR" 6 43 6 52 rr_6dny 1
6 type=2 7 43 7 49 rr_6dny 1
7 type=2 8 43 8 49 rr_6dny 1
8 type=2 9 43 9 49 rr_6dny 1
9 type=2 10 43 10 49 rr_6dny 1
10 type=2 11 43 11 49 rr_6dny 1
11 type=2 12 43 12 49 rr_6dny 1
12 type=2 13 43 13 49 rr_6dny 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 "Restraints file 2: final.aco" 1 1 1 30 rr_6dny 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 2 2 1 "Not handling restraint 2, resonance(s) ' .5.N' (nmrStar names) not linked" rr_6dny 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_6dny
_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 PROTEIN BINDING 08-JUN-18 6DNY *TITLE SOLUTION STRUCTURE OF THE CYCLIC TETRAPEPTIDE, PYPV *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLIC TETRAPEPTIDE PYPV; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOBACILLUS HELVETICUS; *SOURCE 4 ORGANISM_TAXID: 1587 *KEYWDS INHIBITOR, TYROSINASE, PROTEIN BINDING *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.SHEKHTMAN,L.BREINDEL,Q.ZHANG,H.CHEN *REVDAT 1 12-JUN-19 6DNY 0 # Restraints file 1: tet.lol 1 PRO N 4 VAL C 1.30"
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 11:22:38 PM GMT (wattos1)