NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
481466 |
1dep   |
cing | 3-converted-DOCR | STAR | entry | full | 59 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1dep
# This DOCR archive file contains, for PDB entry <1dep>:
#
# - 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_1dep
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1dep"
_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 1dep"
_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 1dep "Master copy" rr_1dep
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1dep
_Assembly.ID 1
_Assembly.Name 1dep
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1888.3016
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 "T345 359" 1 $T345_359 A . no . . . . . . rr_1dep 1
stop_
save_
save_T345_359
_Entity.Sf_category entity
_Entity.Sf_framecode T345_359
_Entity.Entry_ID rr_1dep
_Entity.ID 1
_Entity.Name T345_359
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code RSPDFRKAFKRLLCF
_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 15
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1888.3016
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 . ARG . rr_1dep 1
2 . SER . rr_1dep 1
3 . PRO . rr_1dep 1
4 . ASP . rr_1dep 1
5 . PHE . rr_1dep 1
6 . ARG . rr_1dep 1
7 . LYS . rr_1dep 1
8 . ALA . rr_1dep 1
9 . PHE . rr_1dep 1
10 . LYS . rr_1dep 1
11 . ARG . rr_1dep 1
12 . LEU . rr_1dep 1
13 . LEU . rr_1dep 1
14 . CYS . rr_1dep 1
15 . PHE . rr_1dep 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
. ARG 1 1 rr_1dep 1
. SER 2 2 rr_1dep 1
. PRO 3 3 rr_1dep 1
. ASP 4 4 rr_1dep 1
. PHE 5 5 rr_1dep 1
. ARG 6 6 rr_1dep 1
. LYS 7 7 rr_1dep 1
. ALA 8 8 rr_1dep 1
. PHE 9 9 rr_1dep 1
. LYS 10 10 rr_1dep 1
. ARG 11 11 rr_1dep 1
. LEU 12 12 rr_1dep 1
. LEU 13 13 rr_1dep 1
. CYS 14 14 rr_1dep 1
. PHE 15 15 rr_1dep 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_1dep
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1dep
_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_1dep 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_1dep 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 ARG C C 16.929 -5.883 12.229 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_1dep 1
. 1 . 2 . 1 1 1 ARG CA C 18.147 -5.524 13.067 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_1dep 1
. 1 . 3 . 1 1 1 ARG CB C 18.479 -4.019 12.908 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_1dep 1
. 1 . 4 . 1 1 1 ARG CD C 19.650 -3.542 15.279 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_1dep 1
. 1 . 5 . 1 1 1 ARG CG C 18.600 -3.138 14.202 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_1dep 1
. 1 . 6 . 1 1 1 ARG CZ C 18.242 -4.879 16.787 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_1dep 1
. 1 . 7 . 1 1 1 ARG H1 H 19.505 -6.303 11.723 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_1dep 1
. 1 . 8 . 1 1 1 ARG H2 H 20.155 -5.963 13.255 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_1dep 1
. 1 . 9 . 1 1 1 ARG H3 H 19.160 -7.322 13.037 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_1dep 1
. 1 . 10 . 1 1 1 ARG HA H 17.941 -5.737 14.106 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_1dep 1
. 1 . 11 . 1 1 1 ARG HB2 H 19.423 -3.955 12.390 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_1dep 1
. 1 . 12 . 1 1 1 ARG HB3 H 17.702 -3.584 12.299 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_1dep 1
. 1 . 13 . 1 1 1 ARG HD2 H 20.624 -3.669 14.830 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_1dep 1
. 1 . 14 . 1 1 1 ARG HD3 H 19.706 -2.792 16.053 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_1dep 1
. 1 . 15 . 1 1 1 ARG HE H 19.541 -5.648 15.478 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_1dep 1
. 1 . 16 . 1 1 1 ARG HG2 H 18.841 -2.136 13.883 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_1dep 1
. 1 . 17 . 1 1 1 ARG HG3 H 17.634 -3.143 14.682 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_1dep 1
. 1 . 18 . 1 1 1 ARG HH11 H 18.038 -2.867 16.993 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_1dep 1
. 1 . 19 . 1 1 1 ARG HH12 H 17.012 -3.821 18.012 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_1dep 1
. 1 . 20 . 1 1 1 ARG HH21 H 17.592 -6.605 15.964 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_1dep 1
. 1 . 21 . 1 1 1 ARG HH22 H 16.702 -6.060 17.346 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_1dep 1
. 1 . 22 . 1 1 1 ARG N N 19.328 -6.337 12.747 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_1dep 1
. 1 . 23 . 1 1 1 ARG NE N 19.168 -4.813 15.829 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_1dep 1
. 1 . 24 . 1 1 1 ARG NH1 N 17.720 -3.761 17.308 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_1dep 1
. 1 . 25 . 1 1 1 ARG NH2 N 17.447 -5.934 16.691 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_1dep 1
. 1 . 26 . 1 1 1 ARG O O 17.033 -6.751 11.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_1dep 1
. 1 . 27 . 1 1 2 SER C C 13.966 -4.159 11.078 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1dep 1
. 1 . 28 . 1 1 2 SER CA C 14.601 -5.412 11.696 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1dep 1
. 1 . 29 . 1 1 2 SER CB C 13.561 -6.239 12.460 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1dep 1
. 1 . 30 . 1 1 2 SER H H 15.815 -4.570 13.241 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1dep 1
. 1 . 31 . 1 1 2 SER HA H 14.861 -5.929 10.784 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1dep 1
. 1 . 32 . 1 1 2 SER HB2 H 12.748 -6.487 11.794 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1dep 1
. 1 . 33 . 1 1 2 SER HB3 H 14.024 -7.147 12.816 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1dep 1
. 1 . 34 . 1 1 2 SER HG H 12.507 -4.779 13.247 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1dep 1
. 1 . 35 . 1 1 2 SER N N 15.823 -5.210 12.499 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1dep 1
. 1 . 36 . 1 1 2 SER O O 12.918 -3.661 11.565 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1dep 1
. 1 . 37 . 1 1 2 SER OG O 13.040 -5.502 13.586 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1dep 1
. 1 . 38 . 1 1 3 PRO C C 12.970 -2.524 8.638 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_1dep 1
. 1 . 39 . 1 1 3 PRO CA C 14.205 -2.321 9.503 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_1dep 1
. 1 . 40 . 1 1 3 PRO CB C 15.331 -1.815 8.592 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_1dep 1
. 1 . 41 . 1 1 3 PRO CD C 15.895 -4.057 9.455 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_1dep 1
. 1 . 42 . 1 1 3 PRO CG C 16.390 -2.922 8.545 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_1dep 1
. 1 . 43 . 1 1 3 PRO HA H 14.013 -1.601 10.285 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_1dep 1
. 1 . 44 . 1 1 3 PRO HB2 H 14.949 -1.622 7.600 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_1dep 1
. 1 . 45 . 1 1 3 PRO HB3 H 15.757 -0.909 8.996 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_1dep 1
. 1 . 46 . 1 1 3 PRO HD2 H 15.706 -4.945 8.870 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_1dep 1
. 1 . 47 . 1 1 3 PRO HD3 H 16.635 -4.275 10.210 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_1dep 1
. 1 . 48 . 1 1 3 PRO HG2 H 16.506 -3.282 7.533 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_1dep 1
. 1 . 49 . 1 1 3 PRO HG3 H 17.336 -2.545 8.903 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_1dep 1
. 1 . 50 . 1 1 3 PRO N N 14.643 -3.594 10.092 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_1dep 1
. 1 . 51 . 1 1 3 PRO O O 12.077 -1.631 8.621 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_1dep 1
. 1 . 52 . 1 1 4 ASP C C 10.555 -4.091 7.719 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1dep 1
. 1 . 53 . 1 1 4 ASP CA C 11.883 -3.997 6.994 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1dep 1
. 1 . 54 . 1 1 4 ASP CB C 12.146 -5.328 6.270 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1dep 1
. 1 . 55 . 1 1 4 ASP CG C 13.098 -5.073 5.103 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1dep 1
. 1 . 56 . 1 1 4 ASP H H 13.734 -4.241 7.983 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1dep 1
. 1 . 57 . 1 1 4 ASP HA H 11.775 -3.216 6.256 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1dep 1
. 1 . 58 . 1 1 4 ASP HB2 H 12.593 -6.033 6.956 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1dep 1
. 1 . 59 . 1 1 4 ASP HB3 H 11.215 -5.729 5.898 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1dep 1
. 1 . 60 . 1 1 4 ASP N N 12.969 -3.634 7.907 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1dep 1
. 1 . 61 . 1 1 4 ASP O O 9.548 -3.528 7.218 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1dep 1
. 1 . 62 . 1 1 4 ASP OD1 O 14.209 -4.508 5.296 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1dep 1
. 1 . 63 . 1 1 4 ASP OD2 O 12.746 -5.366 3.922 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1dep 1
. 1 . 64 . 1 1 5 PHE C C 8.828 -3.530 10.136 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1dep 1
. 1 . 65 . 1 1 5 PHE CA C 9.378 -4.870 9.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1dep 1
. 1 . 66 . 1 1 5 PHE CB C 9.628 -5.748 10.928 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1dep 1
. 1 . 67 . 1 1 5 PHE CD1 C 9.158 -7.789 9.513 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1dep 1
. 1 . 68 . 1 1 5 PHE CD2 C 10.930 -7.895 11.105 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1dep 1
. 1 . 69 . 1 1 5 PHE CE1 C 9.429 -9.092 9.122 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1dep 1
. 1 . 70 . 1 1 5 PHE CE2 C 11.209 -9.193 10.717 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1dep 1
. 1 . 71 . 1 1 5 PHE CG C 9.911 -7.192 10.504 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1dep 1
. 1 . 72 . 1 1 5 PHE CZ C 10.459 -9.795 9.725 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1dep 1
. 1 . 73 . 1 1 5 PHE H H 11.441 -5.070 9.204 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1dep 1
. 1 . 74 . 1 1 5 PHE HA H 8.609 -5.328 9.091 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1dep 1
. 1 . 75 . 1 1 5 PHE HB2 H 10.478 -5.364 11.473 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1dep 1
. 1 . 76 . 1 1 5 PHE HB3 H 8.755 -5.728 11.563 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1dep 1
. 1 . 77 . 1 1 5 PHE HD1 H 8.356 -7.240 9.041 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1dep 1
. 1 . 78 . 1 1 5 PHE HD2 H 11.516 -7.430 11.884 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1dep 1
. 1 . 79 . 1 1 5 PHE HE1 H 8.837 -9.558 8.348 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1dep 1
. 1 . 80 . 1 1 5 PHE HE2 H 12.014 -9.736 11.190 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1dep 1
. 1 . 81 . 1 1 5 PHE HZ H 10.675 -10.809 9.421 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1dep 1
. 1 . 82 . 1 1 5 PHE N N 10.590 -4.709 8.878 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1dep 1
. 1 . 83 . 1 1 5 PHE O O 7.598 -3.300 9.977 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1dep 1
. 1 . 84 . 1 1 6 ARG C C 8.735 -0.563 9.769 . . . 1.0 . . . . . . . . . . . . A . 6 ARG C . . . . . . . . . rr_1dep 1
. 1 . 85 . 1 1 6 ARG CA C 9.327 -1.313 10.937 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CA . . . . . . . . . rr_1dep 1
. 1 . 86 . 1 1 6 ARG CB C 10.478 -0.459 11.451 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CB . . . . . . . . . rr_1dep 1
. 1 . 87 . 1 1 6 ARG CD C 11.957 0.167 13.331 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CD . . . . . . . . . rr_1dep 1
. 1 . 88 . 1 1 6 ARG CG C 10.849 -0.795 12.896 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CG . . . . . . . . . rr_1dep 1
. 1 . 89 . 1 1 6 ARG CZ C 12.096 2.494 14.159 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CZ . . . . . . . . . rr_1dep 1
. 1 . 90 . 1 1 6 ARG H H 10.677 -2.917 10.568 . . . 1.0 . . . . . . . . . . . . A . 6 ARG H . . . . . . . . . rr_1dep 1
. 1 . 91 . 1 1 6 ARG HA H 8.588 -1.397 11.720 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HA . . . . . . . . . rr_1dep 1
. 1 . 92 . 1 1 6 ARG HB2 H 11.341 -0.625 10.823 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB2 . . . . . . . . . rr_1dep 1
. 1 . 93 . 1 1 6 ARG HB3 H 10.190 0.580 11.399 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB3 . . . . . . . . . rr_1dep 1
. 1 . 94 . 1 1 6 ARG HD2 H 12.568 -0.310 14.083 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD2 . . . . . . . . . rr_1dep 1
. 1 . 95 . 1 1 6 ARG HD3 H 12.568 0.417 12.476 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD3 . . . . . . . . . rr_1dep 1
. 1 . 96 . 1 1 6 ARG HE H 10.411 1.424 14.072 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HE . . . . . . . . . rr_1dep 1
. 1 . 97 . 1 1 6 ARG HG2 H 9.986 -0.674 13.534 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG2 . . . . . . . . . rr_1dep 1
. 1 . 98 . 1 1 6 ARG HG3 H 11.202 -1.814 12.957 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG3 . . . . . . . . . rr_1dep 1
. 1 . 99 . 1 1 6 ARG HH11 H 13.917 2.514 13.260 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH11 . . . . . . . . . rr_1dep 1
. 1 . 100 . 1 1 6 ARG HH12 H 13.939 2.221 14.967 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH12 . . . . . . . . . rr_1dep 1
. 1 . 101 . 1 1 6 ARG HH21 H 11.339 2.956 15.971 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH21 . . . . . . . . . rr_1dep 1
. 1 . 102 . 1 1 6 ARG HH22 H 11.339 4.245 14.814 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH22 . . . . . . . . . rr_1dep 1
. 1 . 103 . 1 1 6 ARG N N 9.732 -2.661 10.537 . . . 1.0 . . . . . . . . . . . . A . 6 ARG N . . . . . . . . . rr_1dep 1
. 1 . 104 . 1 1 6 ARG NE N 11.373 1.403 13.890 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NE . . . . . . . . . rr_1dep 1
. 1 . 105 . 1 1 6 ARG NH1 N 13.429 2.402 14.126 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH1 . . . . . . . . . rr_1dep 1
. 1 . 106 . 1 1 6 ARG NH2 N 11.547 3.297 15.054 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH2 . . . . . . . . . rr_1dep 1
. 1 . 107 . 1 1 6 ARG O O 7.690 0.112 9.959 . . . 1.0 . . . . . . . . . . . . A . 6 ARG O . . . . . . . . . rr_1dep 1
. 1 . 108 . 1 1 7 LYS C C 7.515 -0.615 7.051 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1dep 1
. 1 . 109 . 1 1 7 LYS CA C 8.891 -0.112 7.414 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1dep 1
. 1 . 110 . 1 1 7 LYS CB C 9.777 -0.333 6.189 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1dep 1
. 1 . 111 . 1 1 7 LYS CD C 11.152 1.823 6.288 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1dep 1
. 1 . 112 . 1 1 7 LYS CE C 12.474 1.935 5.502 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1dep 1
. 1 . 113 . 1 1 7 LYS CG C 10.089 1.014 5.511 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1dep 1
. 1 . 114 . 1 1 7 LYS H H 10.153 -1.336 8.596 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1dep 1
. 1 . 115 . 1 1 7 LYS HA H 8.831 0.950 7.598 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1dep 1
. 1 . 116 . 1 1 7 LYS HB2 H 10.701 -0.801 6.496 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1dep 1
. 1 . 117 . 1 1 7 LYS HB3 H 9.264 -0.975 5.488 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1dep 1
. 1 . 118 . 1 1 7 LYS HD2 H 10.770 2.816 6.472 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1dep 1
. 1 . 119 . 1 1 7 LYS HD3 H 11.346 1.332 7.230 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1dep 1
. 1 . 120 . 1 1 7 LYS HE2 H 12.295 1.659 4.473 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1dep 1
. 1 . 121 . 1 1 7 LYS HE3 H 12.822 2.956 5.545 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1dep 1
. 1 . 122 . 1 1 7 LYS HG2 H 10.456 0.825 4.513 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1dep 1
. 1 . 123 . 1 1 7 LYS HG3 H 9.180 1.595 5.456 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1dep 1
. 1 . 124 . 1 1 7 LYS HZ1 H 13.097 0.121 6.252 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1dep 1
. 1 . 125 . 1 1 7 LYS HZ2 H 14.283 0.960 5.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1dep 1
. 1 . 126 . 1 1 7 LYS HZ3 H 13.871 1.466 6.941 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1dep 1
. 1 . 127 . 1 1 7 LYS N N 9.364 -0.756 8.627 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1dep 1
. 1 . 128 . 1 1 7 LYS NZ N 13.506 1.057 6.057 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1dep 1
. 1 . 129 . 1 1 7 LYS O O 6.701 0.210 6.599 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1dep 1
. 1 . 130 . 1 1 8 ALA C C 5.031 -1.986 7.881 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1dep 1
. 1 . 131 . 1 1 8 ALA CA C 6.039 -2.491 6.873 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1dep 1
. 1 . 132 . 1 1 8 ALA CB C 5.989 -4.025 6.903 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1dep 1
. 1 . 133 . 1 1 8 ALA H H 8.077 -2.482 7.463 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1dep 1
. 1 . 134 . 1 1 8 ALA HA H 5.747 -2.167 5.886 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1dep 1
. 1 . 135 . 1 1 8 ALA HB1 H 6.325 -4.377 7.867 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1dep 1
. 1 . 136 . 1 1 8 ALA HB2 H 4.975 -4.356 6.733 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1dep 1
. 1 . 137 . 1 1 8 ALA HB3 H 6.631 -4.422 6.131 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1dep 1
. 1 . 138 . 1 1 8 ALA N N 7.337 -1.909 7.172 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1dep 1
. 1 . 139 . 1 1 8 ALA O O 3.996 -1.497 7.425 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1dep 1
. 1 . 140 . 1 1 9 PHE C C 4.149 0.224 9.667 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . rr_1dep 1
. 1 . 141 . 1 1 9 PHE CA C 4.475 -1.214 10.057 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . rr_1dep 1
. 1 . 142 . 1 1 9 PHE CB C 4.969 -1.262 11.509 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . rr_1dep 1
. 1 . 143 . 1 1 9 PHE CD1 C 2.583 -1.134 12.368 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . rr_1dep 1
. 1 . 144 . 1 1 9 PHE CD2 C 4.231 0.274 13.370 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . rr_1dep 1
. 1 . 145 . 1 1 9 PHE CE1 C 1.621 -0.618 13.220 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . rr_1dep 1
. 1 . 146 . 1 1 9 PHE CE2 C 3.276 0.788 14.226 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . rr_1dep 1
. 1 . 147 . 1 1 9 PHE CG C 3.891 -0.689 12.444 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . rr_1dep 1
. 1 . 148 . 1 1 9 PHE CZ C 1.971 0.342 14.152 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . rr_1dep 1
. 1 . 149 . 1 1 9 PHE H H 6.288 -2.157 9.416 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . rr_1dep 1
. 1 . 150 . 1 1 9 PHE HA H 3.526 -1.725 9.998 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . rr_1dep 1
. 1 . 151 . 1 1 9 PHE HB2 H 5.175 -2.286 11.784 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . rr_1dep 1
. 1 . 152 . 1 1 9 PHE HB3 H 5.872 -0.676 11.601 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . rr_1dep 1
. 1 . 153 . 1 1 9 PHE HD1 H 2.312 -1.886 11.642 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . rr_1dep 1
. 1 . 154 . 1 1 9 PHE HD2 H 5.250 0.629 13.427 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . rr_1dep 1
. 1 . 155 . 1 1 9 PHE HE1 H 0.600 -0.964 13.157 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . rr_1dep 1
. 1 . 156 . 1 1 9 PHE HE2 H 3.550 1.538 14.953 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . rr_1dep 1
. 1 . 157 . 1 1 9 PHE HZ H 1.224 0.743 14.822 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . rr_1dep 1
. 1 . 158 . 1 1 9 PHE N N 5.407 -1.847 9.119 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . rr_1dep 1
. 1 . 159 . 1 1 9 PHE O O 2.954 0.543 9.451 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . rr_1dep 1
. 1 . 160 . 1 1 10 LYS C C 4.077 2.252 7.403 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1dep 1
. 1 . 161 . 1 1 10 LYS CA C 4.995 2.246 8.622 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1dep 1
. 1 . 162 . 1 1 10 LYS CB C 6.366 2.838 8.268 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1dep 1
. 1 . 163 . 1 1 10 LYS CD C 5.896 5.309 8.829 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1dep 1
. 1 . 164 . 1 1 10 LYS CE C 5.835 6.734 8.254 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1dep 1
. 1 . 165 . 1 1 10 LYS CG C 6.236 4.280 7.730 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1dep 1
. 1 . 166 . 1 1 10 LYS H H 6.061 0.521 9.254 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1dep 1
. 1 . 167 . 1 1 10 LYS HA H 4.500 2.889 9.335 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1dep 1
. 1 . 168 . 1 1 10 LYS HB2 H 6.984 2.848 9.154 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1dep 1
. 1 . 169 . 1 1 10 LYS HB3 H 6.830 2.222 7.513 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1dep 1
. 1 . 170 . 1 1 10 LYS HD2 H 4.937 5.061 9.260 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1dep 1
. 1 . 171 . 1 1 10 LYS HD3 H 6.656 5.270 9.596 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1dep 1
. 1 . 172 . 1 1 10 LYS HE2 H 6.498 6.807 7.405 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1dep 1
. 1 . 173 . 1 1 10 LYS HE3 H 4.825 6.951 7.941 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1dep 1
. 1 . 174 . 1 1 10 LYS HG2 H 7.173 4.562 7.273 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1dep 1
. 1 . 175 . 1 1 10 LYS HG3 H 5.453 4.300 6.987 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1dep 1
. 1 . 176 . 1 1 10 LYS HZ1 H 5.621 7.615 10.102 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_1dep 1
. 1 . 177 . 1 1 10 LYS HZ2 H 7.227 7.507 9.559 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_1dep 1
. 1 . 178 . 1 1 10 LYS HZ3 H 6.178 8.662 8.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1dep 1
. 1 . 179 . 1 1 10 LYS N N 5.163 0.910 9.207 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1dep 1
. 1 . 180 . 1 1 10 LYS NZ N 6.245 7.699 9.274 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1dep 1
. 1 . 181 . 1 1 10 LYS O O 3.088 3.033 7.365 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1dep 1
. 1 . 182 . 1 1 11 ARG C C 2.109 0.672 5.617 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_1dep 1
. 1 . 183 . 1 1 11 ARG CA C 3.563 1.001 5.334 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_1dep 1
. 1 . 184 . 1 1 11 ARG CB C 4.264 -0.132 4.551 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_1dep 1
. 1 . 185 . 1 1 11 ARG CD C 4.282 -1.323 2.236 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_1dep 1
. 1 . 186 . 1 1 11 ARG CG C 3.474 -0.546 3.289 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_1dep 1
. 1 . 187 . 1 1 11 ARG CZ C 3.516 -0.660 -0.015 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_1dep 1
. 1 . 188 . 1 1 11 ARG H H 5.017 0.660 6.796 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_1dep 1
. 1 . 189 . 1 1 11 ARG HA H 3.538 1.894 4.727 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_1dep 1
. 1 . 190 . 1 1 11 ARG HB2 H 5.245 0.207 4.252 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_1dep 1
. 1 . 191 . 1 1 11 ARG HB3 H 4.363 -0.992 5.197 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_1dep 1
. 1 . 192 . 1 1 11 ARG HD2 H 5.306 -1.462 2.546 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_1dep 1
. 1 . 193 . 1 1 11 ARG HD3 H 3.836 -2.282 2.023 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_1dep 1
. 1 . 194 . 1 1 11 ARG HE H 4.663 0.429 1.154 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_1dep 1
. 1 . 195 . 1 1 11 ARG HG2 H 2.648 -1.167 3.601 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_1dep 1
. 1 . 196 . 1 1 11 ARG HG3 H 3.095 0.351 2.823 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_1dep 1
. 1 . 197 . 1 1 11 ARG HH11 H 2.748 -2.404 0.664 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_1dep 1
. 1 . 198 . 1 1 11 ARG HH12 H 2.255 -1.948 -0.933 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_1dep 1
. 1 . 199 . 1 1 11 ARG HH21 H 3.404 1.328 -0.349 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . rr_1dep 1
. 1 . 200 . 1 1 11 ARG HH22 H 2.575 0.333 -1.500 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_1dep 1
. 1 . 201 . 1 1 11 ARG N N 4.291 1.276 6.570 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_1dep 1
. 1 . 202 . 1 1 11 ARG NE N 4.187 -0.424 1.093 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_1dep 1
. 1 . 203 . 1 1 11 ARG NH1 N 2.779 -1.761 -0.102 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_1dep 1
. 1 . 204 . 1 1 11 ARG NH2 N 3.134 0.422 -0.675 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_1dep 1
. 1 . 205 . 1 1 11 ARG O O 1.205 1.341 5.061 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_1dep 1
. 1 . 206 . 1 1 12 LEU C C -0.158 0.470 7.652 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_1dep 1
. 1 . 207 . 1 1 12 LEU CA C 0.665 -0.667 7.079 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_1dep 1
. 1 . 208 . 1 1 12 LEU CB C 0.894 -1.763 8.136 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_1dep 1
. 1 . 209 . 1 1 12 LEU CD1 C -0.470 -3.458 6.837 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_1dep 1
. 1 . 210 . 1 1 12 LEU CD2 C 2.052 -3.565 6.620 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_1dep 1
. 1 . 211 . 1 1 12 LEU CG C 0.867 -3.189 7.536 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_1dep 1
. 1 . 212 . 1 1 12 LEU H H 2.747 -0.440 7.083 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_1dep 1
. 1 . 213 . 1 1 12 LEU HA H 0.120 -1.084 6.245 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_1dep 1
. 1 . 214 . 1 1 12 LEU HB2 H 1.856 -1.601 8.598 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_1dep 1
. 1 . 215 . 1 1 12 LEU HB3 H 0.119 -1.689 8.884 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_1dep 1
. 1 . 216 . 1 1 12 LEU HD11 H -1.215 -2.770 7.208 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_1dep 1
. 1 . 217 . 1 1 12 LEU HD12 H -0.354 -3.322 5.772 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_1dep 1
. 1 . 218 . 1 1 12 LEU HD13 H -0.784 -4.471 7.039 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_1dep 1
. 1 . 219 . 1 1 12 LEU HD21 H 2.329 -2.711 6.020 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_1dep 1
. 1 . 220 . 1 1 12 LEU HD22 H 2.894 -3.867 7.226 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_1dep 1
. 1 . 221 . 1 1 12 LEU HD23 H 1.763 -4.381 5.974 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_1dep 1
. 1 . 222 . 1 1 12 LEU HG H 1.004 -3.910 8.329 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_1dep 1
. 1 . 223 . 1 1 12 LEU N N 1.943 -0.146 6.608 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_1dep 1
. 1 . 224 . 1 1 12 LEU O O -1.357 0.607 7.290 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_1dep 1
. 1 . 225 . 1 1 13 LEU C C -0.606 3.448 7.861 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_1dep 1
. 1 . 226 . 1 1 13 LEU CA C -0.046 2.544 8.938 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_1dep 1
. 1 . 227 . 1 1 13 LEU CB C 0.965 3.342 9.769 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_1dep 1
. 1 . 228 . 1 1 13 LEU CD1 C 2.657 3.187 11.652 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_1dep 1
. 1 . 229 . 1 1 13 LEU CD2 C 0.219 2.362 11.992 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_1dep 1
. 1 . 230 . 1 1 13 LEU CG C 1.394 2.576 11.021 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_1dep 1
. 1 . 231 . 1 1 13 LEU H H 1.503 1.176 8.482 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_1dep 1
. 1 . 232 . 1 1 13 LEU HA H -0.867 2.252 9.576 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_1dep 1
. 1 . 233 . 1 1 13 LEU HB2 H 1.837 3.541 9.164 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_1dep 1
. 1 . 234 . 1 1 13 LEU HB3 H 0.514 4.277 10.067 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_1dep 1
. 1 . 235 . 1 1 13 LEU HD11 H 3.326 3.517 10.871 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_1dep 1
. 1 . 236 . 1 1 13 LEU HD12 H 2.380 4.030 12.268 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_1dep 1
. 1 . 237 . 1 1 13 LEU HD13 H 3.152 2.444 12.260 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_1dep 1
. 1 . 238 . 1 1 13 LEU HD21 H -0.479 3.181 11.899 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_1dep 1
. 1 . 239 . 1 1 13 LEU HD22 H -0.281 1.435 11.753 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_1dep 1
. 1 . 240 . 1 1 13 LEU HD23 H 0.591 2.320 13.005 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_1dep 1
. 1 . 241 . 1 1 13 LEU HG H 1.597 1.550 10.752 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_1dep 1
. 1 . 242 . 1 1 13 LEU N N 0.546 1.341 8.351 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_1dep 1
. 1 . 243 . 1 1 13 LEU O O -1.771 3.905 8.005 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_1dep 1
. 1 . 244 . 1 1 14 CYS C C -1.570 3.881 4.972 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . rr_1dep 1
. 1 . 245 . 1 1 14 CYS CA C -0.315 4.400 5.650 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . rr_1dep 1
. 1 . 246 . 1 1 14 CYS CB C 0.792 4.613 4.611 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . rr_1dep 1
. 1 . 247 . 1 1 14 CYS H H 0.966 3.056 6.699 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . rr_1dep 1
. 1 . 248 . 1 1 14 CYS HA H -0.614 5.361 6.041 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . rr_1dep 1
. 1 . 249 . 1 1 14 CYS HB2 H 1.733 4.339 5.065 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . rr_1dep 1
. 1 . 250 . 1 1 14 CYS HB3 H 0.593 3.962 3.773 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . rr_1dep 1
. 1 . 251 . 1 1 14 CYS HG H 0.060 6.648 3.855 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HG . . . . . . . . . rr_1dep 1
. 1 . 252 . 1 1 14 CYS N N 0.123 3.551 6.768 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . rr_1dep 1
. 1 . 253 . 1 1 14 CYS O O -2.523 4.673 4.737 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . rr_1dep 1
. 1 . 254 . 1 1 14 CYS SG S 0.945 6.298 3.985 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . rr_1dep 1
. 1 . 255 . 1 1 15 PHE C C -4.034 2.015 5.158 . . . 1.0 . . . . . . . . . . . . A . 15 PHE C . . . . . . . . . rr_1dep 1
. 1 . 256 . 1 1 15 PHE CA C -2.802 1.876 4.276 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CA . . . . . . . . . rr_1dep 1
. 1 . 257 . 1 1 15 PHE CB C -2.535 0.373 4.046 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CB . . . . . . . . . rr_1dep 1
. 1 . 258 . 1 1 15 PHE CD1 C -2.321 -0.030 1.559 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD1 . . . . . . . . . rr_1dep 1
. 1 . 259 . 1 1 15 PHE CD2 C -0.334 0.084 2.862 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD2 . . . . . . . . . rr_1dep 1
. 1 . 260 . 1 1 15 PHE CE1 C -1.556 -0.221 0.416 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE1 . . . . . . . . . rr_1dep 1
. 1 . 261 . 1 1 15 PHE CE2 C 0.429 -0.100 1.726 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE2 . . . . . . . . . rr_1dep 1
. 1 . 262 . 1 1 15 PHE CG C -1.702 0.126 2.779 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CG . . . . . . . . . rr_1dep 1
. 1 . 263 . 1 1 15 PHE CZ C -0.181 -0.251 0.502 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CZ . . . . . . . . . rr_1dep 1
. 1 . 264 . 1 1 15 PHE H H -0.841 2.036 5.094 . . . 1.0 . . . . . . . . . . . . A . 15 PHE H . . . . . . . . . rr_1dep 1
. 1 . 265 . 1 1 15 PHE HA H -3.066 2.332 3.333 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HA . . . . . . . . . rr_1dep 1
. 1 . 266 . 1 1 15 PHE HB2 H -2.000 -0.021 4.898 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB2 . . . . . . . . . rr_1dep 1
. 1 . 267 . 1 1 15 PHE HB3 H -3.481 -0.138 3.947 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB3 . . . . . . . . . rr_1dep 1
. 1 . 268 . 1 1 15 PHE HD1 H -3.399 -0.004 1.491 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD1 . . . . . . . . . rr_1dep 1
. 1 . 269 . 1 1 15 PHE HD2 H 0.149 0.195 3.821 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD2 . . . . . . . . . rr_1dep 1
. 1 . 270 . 1 1 15 PHE HE1 H -2.039 -0.346 -0.542 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE1 . . . . . . . . . rr_1dep 1
. 1 . 271 . 1 1 15 PHE HE2 H 1.506 -0.125 1.798 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE2 . . . . . . . . . rr_1dep 1
. 1 . 272 . 1 1 15 PHE HZ H 0.415 -0.392 -0.387 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HZ . . . . . . . . . rr_1dep 1
. 1 . 273 . 1 1 15 PHE N N -1.618 2.569 4.827 . . . 1.0 . . . . . . . . . . . . A . 15 PHE N . . . . . . . . . rr_1dep 1
. 1 . 274 . 1 1 15 PHE O O -5.111 2.428 4.651 . . . 1.0 . . . . . . . . . . . . A . 15 PHE O . . . . . . . . . rr_1dep 1
. 1 . 275 . 1 1 15 PHE OXT O -3.939 1.928 6.409 . . . 1.0 . . . . . . . . . . . . A . 15 PHE OXT . . . . . . . . . rr_1dep 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_1dep
_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 1dep.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . XPLOR/CNS 2 distance NOE ambi 47 rr_1dep 1
1 1dep.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1dep 1
1 1dep.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1dep 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_1dep
_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: '1dep'" . . . . distance "general distance" . 47 rr_1dep 1
2 "From CCPN project: '1dep'" . . . . "dihedral angle" "Not applicable" . 12 rr_1dep 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 1dep.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . XPLOR/CNS 2 distance NOE ambi 47 rr_1dep 1
1 1dep.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1dep 1
1 1dep.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1dep 1
1 1dep.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1dep 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1dep
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1dep 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 1 1 ARG HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . 5.0 1.8 7.5 . . . . . A . 1 ARG HB2 . . A . 3 PRO HD2 . . . 1 . HB# . . . . . 3 . HD# . . rr_1dep 1
1 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 1 1 ARG HB3 H . . . . . 5.0 1.8 7.5 . . . . . A . 3 PRO HD3 . . A . 1 ARG HB3 . . . 3 . HD# . . . . . 1 . HB# . . rr_1dep 1
1 3 OR . 1 1 1 1 ARG HB2 H . . . 1 1 3 3 PRO HD3 H . . . . . 5.0 1.8 7.5 . . . . . A . 1 ARG HB2 . . A . 3 PRO HD3 . . . 1 . HB# . . . . . 3 . HD# . . rr_1dep 1
1 4 OR . 1 1 1 1 ARG HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . 5.0 1.8 7.5 . . . . . A . 1 ARG HB3 . . A . 3 PRO HD2 . . . 1 . HB# . . . . . 3 . HD# . . rr_1dep 1
2 1 . . 1 1 3 3 PRO HB3 H . . . 1 1 1 1 ARG HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HB3 . . A . 1 ARG HB3 . . . 3 . HB1 . . . . . 1 . HB1 . . rr_1dep 1
3 1 OR . 1 1 3 3 PRO HA H . . . 1 1 1 1 ARG HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 1 ARG HG2 . . . 3 . HA . . . . . 1 . HG# . . rr_1dep 1
3 2 OR . 1 1 1 1 ARG HG3 H . . . 1 1 3 3 PRO HA H . . . . . 5.0 1.8 6.5 . . . . . A . 1 ARG HG3 . . A . 3 PRO HA . . . 1 . HG# . . . . . 3 . HA . . rr_1dep 1
4 1 OR . 1 1 2 2 SER HA H . . . 1 1 3 3 PRO HD2 H . . . . . 2.8 1.8 4.3 . . . . . A . 2 SER HA . . A . 3 PRO HD2 . . . 2 . HA . . . . . 3 . HD# . . rr_1dep 1
4 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 SER HA H . . . . . 2.8 1.8 4.3 . . . . . A . 3 PRO HD3 . . A . 2 SER HA . . . 3 . HD# . . . . . 2 . HA . . rr_1dep 1
5 1 . . 1 1 3 3 PRO HB3 H . . . 1 1 4 4 ASP H H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HB3 . . A . 4 ASP H . . . 3 . HB1 . . . . . 4 . HN . . rr_1dep 1
6 1 . . 1 1 4 4 ASP HA H . . . 1 1 7 7 LYS H H . . . . . 3.8 1.8 4.3 . . . . . A . 4 ASP HA . . A . 7 LYS H . . . 4 . HA . . . . . 7 . HN . . rr_1dep 1
7 1 . . 1 1 5 5 PHE H H . . . 1 1 6 6 ARG H H . . . . . 3.8 1.8 4.3 . . . . . A . 5 PHE H . . A . 6 ARG H . . . 5 . HN . . . . . 6 . HN . . rr_1dep 1
8 1 . . 1 1 6 6 ARG H H . . . 1 1 5 5 PHE HA H . . . . . 5.0 1.8 5.5 . . . . . A . 6 ARG H . . A . 5 PHE HA . . . 6 . HN . . . . . 5 . HA . . rr_1dep 1
9 1 OR . 1 1 6 6 ARG H H . . . 1 1 5 5 PHE HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 6 ARG H . . A . 5 PHE HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1dep 1
9 2 OR . 1 1 6 6 ARG H H . . . 1 1 5 5 PHE HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 6 ARG H . . A . 5 PHE HB3 . . . 6 . HN . . . . . 5 . HB# . . rr_1dep 1
10 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 ALA H H . . . . . 5.0 1.8 5.5 . . . . . A . 5 PHE HA . . A . 8 ALA H . . . 5 . HA . . . . . 8 . HN . . rr_1dep 1
11 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 ALA MB H . . . . . 3.8 1.8 5.3 . . . . . A . 5 PHE HA . . A . 8 ALA MB . . . 5 . HA . . . . . 8 . HB# . . rr_1dep 1
12 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ARG H H . . . . . 3.8 1.8 4.3 . . . . . A . 7 LYS H . . A . 6 ARG H . . . 7 . HN . . . . . 6 . HN . . rr_1dep 1
13 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ARG HA H . . . . . 3.8 1.8 4.3 . . . . . A . 7 LYS H . . A . 6 ARG HA . . . 7 . HN . . . . . 6 . HA . . rr_1dep 1
14 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HA H . . . . . 5.0 1.8 5.5 . . . . . A . 8 ALA H . . A . 7 LYS HA . . . 8 . HN . . . . . 7 . HA . . rr_1dep 1
15 1 . . 1 1 7 7 LYS HA H . . . 1 1 10 10 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 7 LYS HA . . A . 10 LYS H . . . 7 . HA . . . . . 10 . HN . . rr_1dep 1
16 1 . . 1 1 7 7 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 3.8 1.8 4.3 . . . . . A . 7 LYS HA . . A . 10 LYS HB3 . . . 7 . HA . . . . . 10 . HB1 . . rr_1dep 1
17 1 . . 1 1 8 8 ALA H H . . . 1 1 9 9 PHE H H . . . . . 3.8 1.8 4.3 . . . . . A . 8 ALA H . . A . 9 PHE H . . . 8 . HN . . . . . 9 . HN . . rr_1dep 1
18 1 . . 1 1 9 9 PHE H H . . . 1 1 8 8 ALA HA H . . . . . 5.0 1.8 5.5 . . . . . A . 9 PHE H . . A . 8 ALA HA . . . 9 . HN . . . . . 8 . HA . . rr_1dep 1
19 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 PHE H H . . . . . 2.8 1.8 4.3 . . . . . A . 8 ALA MB . . A . 9 PHE H . . . 8 . HB# . . . . . 9 . HN . . rr_1dep 1
20 1 OR . 1 1 8 8 ALA MB H . . . 1 1 9 9 PHE QD H . . . . . 3.8 1.8 6.3 . . . . . A . 8 ALA MB . . A . 9 PHE QD . . . 8 . HB# . . . . . 9 . HD# . . rr_1dep 1
20 2 OR . 1 1 8 8 ALA MB H . . . 1 1 5 5 PHE QD H . . . . . 3.8 1.8 6.3 . . . . . A . 8 ALA MB . . A . 5 PHE QD . . . 8 . HB# . . . . . 5 . HD# . . rr_1dep 1
21 1 . . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG H H . . . . . 3.8 1.8 4.3 . . . . . A . 8 ALA HA . . A . 11 ARG H . . . 8 . HA . . . . . 11 . HN . . rr_1dep 1
22 1 . . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG HB3 H . . . . . 3.8 1.8 4.3 . . . . . A . 8 ALA HA . . A . 11 ARG HB3 . . . 8 . HA . . . . . 11 . HB1 . . rr_1dep 1
23 1 . . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG HB2 H . . . . . 3.8 1.8 4.3 . . . . . A . 8 ALA HA . . A . 11 ARG HB2 . . . 8 . HA . . . . . 11 . HB2 . . rr_1dep 1
24 1 . . 1 1 8 8 ALA HA H . . . 1 1 12 12 LEU H H . . . . . 3.8 1.8 4.3 . . . . . A . 8 ALA HA . . A . 12 LEU H . . . 8 . HA . . . . . 12 . HN . . rr_1dep 1
25 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE H H . . . . . 3.8 1.8 4.3 . . . . . A . 10 LYS H . . A . 9 PHE H . . . 10 . HN . . . . . 9 . HN . . rr_1dep 1
26 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB2 H . . . . . 3.8 1.8 5.3 . . . . . A . 10 LYS H . . A . 9 PHE HB2 . . . 10 . HN . . . . . 9 . HB# . . rr_1dep 1
26 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 PHE HB3 H . . . . . 3.8 1.8 5.3 . . . . . A . 10 LYS H . . A . 9 PHE HB3 . . . 10 . HN . . . . . 9 . HB# . . rr_1dep 1
27 1 . . 1 1 12 12 LEU H H . . . 1 1 9 9 PHE HA H . . . . . 3.8 1.8 4.3 . . . . . A . 12 LEU H . . A . 9 PHE HA . . . 12 . HN . . . . . 9 . HA . . rr_1dep 1
28 1 OR . 1 1 9 9 PHE QD H . . . 1 1 12 12 LEU MD1 H . . . . . 3.8 1.8 6.3 . . . . . A . 9 PHE QD . . A . 12 LEU MD1 . . . 9 . HD# . . . . . 12 . HD# . . rr_1dep 1
28 2 OR . 1 1 9 9 PHE QD H . . . 1 1 12 12 LEU MD2 H . . . . . 3.8 1.8 6.3 . . . . . A . 9 PHE QD . . A . 12 LEU MD2 . . . 9 . HD# . . . . . 12 . HD# . . rr_1dep 1
29 1 OR . 1 1 9 9 PHE QD H . . . 1 1 13 13 LEU MD1 H . . . . . 2.8 1.8 5.3 . . . . . A . 9 PHE QD . . A . 13 LEU MD1 . . . 9 . HD# . . . . . 13 . HD# . . rr_1dep 1
29 2 OR . 1 1 9 9 PHE QD H . . . 1 1 13 13 LEU MD2 H . . . . . 2.8 1.8 5.3 . . . . . A . 9 PHE QD . . A . 13 LEU MD2 . . . 9 . HD# . . . . . 13 . HD# . . rr_1dep 1
30 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 ARG H H . . . . . 3.8 1.8 4.3 . . . . . A . 10 LYS H . . A . 11 ARG H . . . 10 . HN . . . . . 11 . HN . . rr_1dep 1
31 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 LYS HA H . . . . . 5.0 1.8 5.5 . . . . . A . 11 ARG H . . A . 10 LYS HA . . . 11 . HN . . . . . 10 . HA . . rr_1dep 1
32 1 OR . 1 1 10 10 LYS HA H . . . 1 1 13 13 LEU MD1 H . . . . . 5.0 1.8 6.5 . . . . . A . 10 LYS HA . . A . 13 LEU MD1 . . . 10 . HA . . . . . 13 . HD# . . rr_1dep 1
32 2 OR . 1 1 13 13 LEU MD2 H . . . 1 1 10 10 LYS HA H . . . . . 5.0 1.8 6.5 . . . . . A . 13 LEU MD2 . . A . 10 LYS HA . . . 13 . HD# . . . . . 10 . HA . . rr_1dep 1
33 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 LEU H H . . . . . 3.8 1.8 4.3 . . . . . A . 11 ARG H . . A . 12 LEU H . . . 11 . HN . . . . . 12 . HN . . rr_1dep 1
34 1 . . 1 1 11 11 ARG HB2 H . . . 1 1 12 12 LEU H H . . . . . 5.0 1.8 5.5 . . . . . A . 11 ARG HB2 . . A . 12 LEU H . . . 11 . HB2 . . . . . 12 . HN . . rr_1dep 1
35 1 . . 1 1 12 12 LEU H H . . . 1 1 13 13 LEU H H . . . . . 3.8 1.8 4.3 . . . . . A . 12 LEU H . . A . 13 LEU H . . . 12 . HN . . . . . 13 . HN . . rr_1dep 1
36 1 . . 1 1 13 13 LEU H H . . . 1 1 12 12 LEU HA H . . . . . 5.0 1.8 5.5 . . . . . A . 13 LEU H . . A . 12 LEU HA . . . 13 . HN . . . . . 12 . HA . . rr_1dep 1
37 1 OR . 1 1 13 13 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 13 LEU H . . A . 12 LEU HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1dep 1
37 2 OR . 1 1 13 13 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 13 LEU H . . A . 12 LEU HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1dep 1
38 1 . . 1 1 13 13 LEU H H . . . 1 1 12 12 LEU HG H . . . . . 3.8 1.8 5.3 . . . . . A . 13 LEU H . . A . 12 LEU HG . . . 13 . HN . . . . . 12 . HG# . . rr_1dep 1
39 1 . . 1 1 12 12 LEU HA H . . . 1 1 15 15 PHE H H . . . . . 3.8 1.8 4.3 . . . . . A . 12 LEU HA . . A . 15 PHE H . . . 12 . HA . . . . . 15 . HN . . rr_1dep 1
40 1 . . 1 1 12 12 LEU HA H . . . 1 1 15 15 PHE HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 12 LEU HA . . A . 15 PHE HB3 . . . 12 . HA . . . . . 15 . HB1 . . rr_1dep 1
41 1 OR . 1 1 9 9 PHE QE H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.5 . . . . . A . 9 PHE QE . . A . 12 LEU MD1 . . . 9 . HE# . . . . . 12 . HD# . . rr_1dep 1
41 2 OR . 1 1 15 15 PHE QD H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.5 . . . . . A . 15 PHE QD . . A . 12 LEU MD1 . . . 15 . HD# . . . . . 12 . HD# . . rr_1dep 1
41 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 15 15 PHE QD H . . . . . 5.0 1.8 7.5 . . . . . A . 12 LEU MD2 . . A . 15 PHE QD . . . 12 . HD# . . . . . 15 . HD# . . rr_1dep 1
41 4 OR . 1 1 12 12 LEU MD2 H . . . 1 1 9 9 PHE QE H . . . . . 5.0 1.8 7.5 . . . . . A . 12 LEU MD2 . . A . 9 PHE QE . . . 12 . HD# . . . . . 9 . HE# . . rr_1dep 1
42 1 . . 1 1 13 13 LEU H H . . . 1 1 14 14 CYS H H . . . . . 3.8 1.8 4.3 . . . . . A . 13 LEU H . . A . 14 CYS H . . . 13 . HN . . . . . 14 . HN . . rr_1dep 1
43 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 LEU HA H . . . . . 3.8 1.8 4.3 . . . . . A . 14 CYS H . . A . 13 LEU HA . . . 14 . HN . . . . . 13 . HA . . rr_1dep 1
44 1 . . 1 1 15 15 PHE H H . . . 1 1 13 13 LEU HG H . . . . . 5.0 1.8 6.5 . . . . . A . 15 PHE H . . A . 13 LEU HG . . . 15 . HN . . . . . 13 . HG# . . rr_1dep 1
45 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 CYS H H . . . . . 3.8 1.8 4.3 . . . . . A . 15 PHE H . . A . 14 CYS H . . . 15 . HN . . . . . 14 . HN . . rr_1dep 1
46 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 CYS HA H . . . . . 3.8 1.8 4.3 . . . . . A . 15 PHE H . . A . 14 CYS HA . . . 15 . HN . . . . . 14 . HA . . rr_1dep 1
47 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 CYS HB3 H . . . . . 3.8 1.8 4.3 . . . . . A . 15 PHE H . . A . 14 CYS HB3 . . . 15 . HN . . . . . 14 . HB1 . . rr_1dep 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1dep
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1dep 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1dep 1
1 2 . 3 . rr_1dep 1
1 3 . 4 . rr_1dep 1
1 4 . 5 . rr_1dep 1
1 5 . . . rr_1dep 1
2 1 . . . rr_1dep 1
3 1 2 . OR rr_1dep 1
3 2 . 3 . rr_1dep 1
3 3 . . . rr_1dep 1
4 1 2 . OR rr_1dep 1
4 2 . 3 . rr_1dep 1
4 3 . . . rr_1dep 1
5 1 . . . rr_1dep 1
6 1 . . . rr_1dep 1
7 1 . . . rr_1dep 1
8 1 . . . rr_1dep 1
9 1 2 . OR rr_1dep 1
9 2 . 3 . rr_1dep 1
9 3 . . . rr_1dep 1
10 1 . . . rr_1dep 1
11 1 . . . rr_1dep 1
12 1 . . . rr_1dep 1
13 1 . . . rr_1dep 1
14 1 . . . rr_1dep 1
15 1 . . . rr_1dep 1
16 1 . . . rr_1dep 1
17 1 . . . rr_1dep 1
18 1 . . . rr_1dep 1
19 1 . . . rr_1dep 1
20 1 2 . OR rr_1dep 1
20 2 . 3 . rr_1dep 1
20 3 . . . rr_1dep 1
21 1 . . . rr_1dep 1
22 1 . . . rr_1dep 1
23 1 . . . rr_1dep 1
24 1 . . . rr_1dep 1
25 1 . . . rr_1dep 1
26 1 2 . OR rr_1dep 1
26 2 . 3 . rr_1dep 1
26 3 . . . rr_1dep 1
27 1 . . . rr_1dep 1
28 1 2 . OR rr_1dep 1
28 2 . 3 . rr_1dep 1
28 3 . . . rr_1dep 1
29 1 2 . OR rr_1dep 1
29 2 . 3 . rr_1dep 1
29 3 . . . rr_1dep 1
30 1 . . . rr_1dep 1
31 1 . . . rr_1dep 1
32 1 2 . OR rr_1dep 1
32 2 . 3 . rr_1dep 1
32 3 . . . rr_1dep 1
33 1 . . . rr_1dep 1
34 1 . . . rr_1dep 1
35 1 . . . rr_1dep 1
36 1 . . . rr_1dep 1
37 1 2 . OR rr_1dep 1
37 2 . 3 . rr_1dep 1
37 3 . . . rr_1dep 1
38 1 . . . rr_1dep 1
39 1 . . . rr_1dep 1
40 1 . . . rr_1dep 1
41 1 2 . OR rr_1dep 1
41 2 . 3 . rr_1dep 1
41 3 . 4 . rr_1dep 1
41 4 . 5 . rr_1dep 1
41 5 . . . rr_1dep 1
42 1 . . . rr_1dep 1
43 1 . . . rr_1dep 1
44 1 . . . rr_1dep 1
45 1 . . . rr_1dep 1
46 1 . . . rr_1dep 1
47 1 . . . rr_1dep 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_1dep 1
1 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dep 1
1 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_1dep 1
1 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dep 1
1 4 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_1dep 1
1 4 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dep 1
1 5 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_1dep 1
1 5 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dep 1
2 1 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB1 rr_1dep 1
2 1 . 2 . 1 1 3 3 PRO HB3 H . . . . 3 . HB1 rr_1dep 1
3 2 . 1 . 1 1 1 1 ARG HG2 H . . . . 1 . HG# rr_1dep 1
3 2 . 2 . 1 1 3 3 PRO HA H . . . . 3 . HA rr_1dep 1
3 3 . 1 . 1 1 1 1 ARG HG3 H . . . . 1 . HG# rr_1dep 1
3 3 . 2 . 1 1 3 3 PRO HA H . . . . 3 . HA rr_1dep 1
4 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1dep 1
4 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 . HD# rr_1dep 1
4 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1dep 1
4 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 . HD# rr_1dep 1
5 1 . 1 . 1 1 3 3 PRO HB3 H . . . . 3 . HB1 rr_1dep 1
5 1 . 2 . 1 1 4 4 ASP H H . . . . 4 . HN rr_1dep 1
6 1 . 1 . 1 1 4 4 ASP HA H . . . . 4 . HA rr_1dep 1
6 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1dep 1
7 1 . 1 . 1 1 5 5 PHE H H . . . . 5 . HN rr_1dep 1
7 1 . 2 . 1 1 6 6 ARG H H . . . . 6 . HN rr_1dep 1
8 1 . 1 . 1 1 5 5 PHE HA H . . . . 5 . HA rr_1dep 1
8 1 . 2 . 1 1 6 6 ARG H H . . . . 6 . HN rr_1dep 1
9 2 . 1 . 1 1 5 5 PHE HB2 H . . . . 5 . HB# rr_1dep 1
9 2 . 2 . 1 1 6 6 ARG H H . . . . 6 . HN rr_1dep 1
9 3 . 1 . 1 1 5 5 PHE HB3 H . . . . 5 . HB# rr_1dep 1
9 3 . 2 . 1 1 6 6 ARG H H . . . . 6 . HN rr_1dep 1
10 1 . 1 . 1 1 5 5 PHE HA H . . . . 5 . HA rr_1dep 1
10 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1dep 1
11 1 . 1 . 1 1 5 5 PHE HA H . . . . 5 . HA rr_1dep 1
11 1 . 2 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1dep 1
12 1 . 1 . 1 1 6 6 ARG H H . . . . 6 . HN rr_1dep 1
12 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1dep 1
13 1 . 1 . 1 1 6 6 ARG HA H . . . . 6 . HA rr_1dep 1
13 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1dep 1
14 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1dep 1
14 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1dep 1
15 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1dep 1
15 1 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1dep 1
16 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1dep 1
16 1 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 . HB1 rr_1dep 1
17 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1dep 1
17 1 . 2 . 1 1 9 9 PHE H H . . . . 9 . HN rr_1dep 1
18 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1dep 1
18 1 . 2 . 1 1 9 9 PHE H H . . . . 9 . HN rr_1dep 1
19 1 . 1 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1dep 1
19 1 . 2 . 1 1 9 9 PHE H H . . . . 9 . HN rr_1dep 1
20 2 . 1 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1dep 1
20 2 . 2 . 1 1 9 9 PHE QD H . . . . 9 . HD# rr_1dep 1
20 3 . 1 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1dep 1
20 3 . 2 . 1 1 5 5 PHE QD H . . . . 5 . HD# rr_1dep 1
21 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1dep 1
21 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1dep 1
22 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1dep 1
22 1 . 2 . 1 1 11 11 ARG HB3 H . . . . 11 . HB1 rr_1dep 1
23 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1dep 1
23 1 . 2 . 1 1 11 11 ARG HB2 H . . . . 11 . HB2 rr_1dep 1
24 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1dep 1
24 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1dep 1
25 1 . 1 . 1 1 9 9 PHE H H . . . . 9 . HN rr_1dep 1
25 1 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1dep 1
26 2 . 1 . 1 1 9 9 PHE HB2 H . . . . 9 . HB# rr_1dep 1
26 2 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1dep 1
26 3 . 1 . 1 1 9 9 PHE HB3 H . . . . 9 . HB# rr_1dep 1
26 3 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1dep 1
27 1 . 1 . 1 1 9 9 PHE HA H . . . . 9 . HA rr_1dep 1
27 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1dep 1
28 2 . 1 . 1 1 9 9 PHE QD H . . . . 9 . HD# rr_1dep 1
28 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD# rr_1dep 1
28 3 . 1 . 1 1 9 9 PHE QD H . . . . 9 . HD# rr_1dep 1
28 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD# rr_1dep 1
29 2 . 1 . 1 1 9 9 PHE QD H . . . . 9 . HD# rr_1dep 1
29 2 . 2 . 1 1 13 13 LEU MD1 H . . . . 13 . HD# rr_1dep 1
29 3 . 1 . 1 1 9 9 PHE QD H . . . . 9 . HD# rr_1dep 1
29 3 . 2 . 1 1 13 13 LEU MD2 H . . . . 13 . HD# rr_1dep 1
30 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1dep 1
30 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1dep 1
31 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1dep 1
31 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1dep 1
32 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1dep 1
32 2 . 2 . 1 1 13 13 LEU MD1 H . . . . 13 . HD# rr_1dep 1
32 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1dep 1
32 3 . 2 . 1 1 13 13 LEU MD2 H . . . . 13 . HD# rr_1dep 1
33 1 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1dep 1
33 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1dep 1
34 1 . 1 . 1 1 11 11 ARG HB2 H . . . . 11 . HB2 rr_1dep 1
34 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1dep 1
35 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1dep 1
35 1 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
36 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1dep 1
36 1 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
37 2 . 1 . 1 1 12 12 LEU HB2 H . . . . 12 . HB# rr_1dep 1
37 2 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
37 3 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB# rr_1dep 1
37 3 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
38 1 . 1 . 1 1 12 12 LEU HG H . . . . 12 . HG# rr_1dep 1
38 1 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
39 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1dep 1
39 1 . 2 . 1 1 15 15 PHE H H . . . . 15 . HN rr_1dep 1
40 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1dep 1
40 1 . 2 . 1 1 15 15 PHE HB3 H . . . . 15 . HB1 rr_1dep 1
41 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD# rr_1dep 1
41 2 . 2 . 1 1 9 9 PHE QE H . . . . 9 . HE# rr_1dep 1
41 3 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD# rr_1dep 1
41 3 . 2 . 1 1 15 15 PHE QD H . . . . 15 . HD# rr_1dep 1
41 4 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD# rr_1dep 1
41 4 . 2 . 1 1 15 15 PHE QD H . . . . 15 . HD# rr_1dep 1
41 5 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD# rr_1dep 1
41 5 . 2 . 1 1 9 9 PHE QE H . . . . 9 . HE# rr_1dep 1
42 1 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1dep 1
42 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1dep 1
43 1 . 1 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1dep 1
43 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1dep 1
44 1 . 1 . 1 1 13 13 LEU HG H . . . . 13 . HG# rr_1dep 1
44 1 . 2 . 1 1 15 15 PHE H H . . . . 15 . HN rr_1dep 1
45 1 . 1 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1dep 1
45 1 . 2 . 1 1 15 15 PHE H H . . . . 15 . HN rr_1dep 1
46 1 . 1 . 1 1 14 14 CYS HA H . . . . 14 . HA rr_1dep 1
46 1 . 2 . 1 1 15 15 PHE H H . . . . 15 . HN rr_1dep 1
47 1 . 1 . 1 1 14 14 CYS HB3 H . . . . 14 . HB1 rr_1dep 1
47 1 . 2 . 1 1 15 15 PHE H H . . . . 15 . HN rr_1dep 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 5.0 1.8 7.5 rr_1dep 1
1 3 . . . . . . 5.0 1.8 7.5 rr_1dep 1
1 4 . . . . . . 5.0 1.8 7.5 rr_1dep 1
1 5 . . . . . . 5.0 1.8 7.5 rr_1dep 1
2 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
3 2 . . . . . . 5.0 1.8 6.5 rr_1dep 1
3 3 . . . . . . 5.0 1.8 6.5 rr_1dep 1
4 2 . . . . . . 2.8 1.8 4.3 rr_1dep 1
4 3 . . . . . . 2.8 1.8 4.3 rr_1dep 1
5 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
6 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
7 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
8 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
9 2 . . . . . . 5.0 1.8 6.5 rr_1dep 1
9 3 . . . . . . 5.0 1.8 6.5 rr_1dep 1
10 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
11 1 . . . . . . 3.8 1.8 5.3 rr_1dep 1
12 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
13 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
14 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
15 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
16 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
17 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
18 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
19 1 . . . . . . 2.8 1.8 4.3 rr_1dep 1
20 2 . . . . . . 3.8 1.8 6.3 rr_1dep 1
20 3 . . . . . . 3.8 1.8 6.3 rr_1dep 1
21 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
22 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
23 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
24 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
25 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
26 2 . . . . . . 3.8 1.8 5.3 rr_1dep 1
26 3 . . . . . . 3.8 1.8 5.3 rr_1dep 1
27 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
28 2 . . . . . . 3.8 1.8 6.3 rr_1dep 1
28 3 . . . . . . 3.8 1.8 6.3 rr_1dep 1
29 2 . . . . . . 2.8 1.8 5.3 rr_1dep 1
29 3 . . . . . . 2.8 1.8 5.3 rr_1dep 1
30 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
31 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
32 2 . . . . . . 5.0 1.8 6.5 rr_1dep 1
32 3 . . . . . . 5.0 1.8 6.5 rr_1dep 1
33 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
34 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
35 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
36 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
37 2 . . . . . . 5.0 1.8 6.5 rr_1dep 1
37 3 . . . . . . 5.0 1.8 6.5 rr_1dep 1
38 1 . . . . . . 3.8 1.8 5.3 rr_1dep 1
39 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
40 1 . . . . . . 5.0 1.8 5.5 rr_1dep 1
41 2 . . . . . . 5.0 1.8 7.5 rr_1dep 1
41 3 . . . . . . 5.0 1.8 7.5 rr_1dep 1
41 4 . . . . . . 5.0 1.8 7.5 rr_1dep 1
41 5 . . . . . . 5.0 1.8 7.5 rr_1dep 1
42 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
43 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
44 1 . . . . . . 5.0 1.8 6.5 rr_1dep 1
45 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
46 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
47 1 . . . . . . 3.8 1.8 4.3 rr_1dep 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_1dep
_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 4
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_1dep 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 3 3 PRO C C . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP C C . -69.1 -49.1 . . . A . 3 PRO C . . A . 4 ASP CA . . A . 4 ASP N . . A . 4 ASP C . . . 3 . C . . . . . 4 . CA . . . . . 4 . N . . . . . 4 . C . . rr_1dep 1
2 . . 1 1 4 4 ASP C C . . 1 1 5 5 PHE CA C . . 1 1 5 5 PHE N N . . 1 1 5 5 PHE C C . -66.7 -46.7 . . . A . 4 ASP C . . A . 5 PHE CA . . A . 5 PHE N . . A . 5 PHE C . . . 4 . C . . . . . 5 . CA . . . . . 5 . N . . . . . 5 . C . . rr_1dep 1
3 . . 1 1 5 5 PHE C C . . 1 1 6 6 ARG CA C . . 1 1 6 6 ARG N N . . 1 1 6 6 ARG C C . -69.1 -49.1 . . . A . 5 PHE C . . A . 6 ARG CA . . A . 6 ARG N . . A . 6 ARG C . . . 5 . C . . . . . 6 . CA . . . . . 6 . N . . . . . 6 . C . . rr_1dep 1
4 . . 1 1 6 6 ARG C C . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS C C . -66.7 -46.7 . . . A . 6 ARG C . . A . 7 LYS CA . . A . 7 LYS N . . A . 7 LYS C . . . 6 . C . . . . . 7 . CA . . . . . 7 . N . . . . . 7 . C . . rr_1dep 1
5 . . 1 1 7 7 LYS C C . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA C C . -67.5 -47.5 . . . A . 7 LYS C . . A . 8 ALA CA . . A . 8 ALA N . . A . 8 ALA C . . . 7 . C . . . . . 8 . CA . . . . . 8 . N . . . . . 8 . C . . rr_1dep 1
6 . . 1 1 8 8 ALA C C . . 1 1 9 9 PHE CA C . . 1 1 9 9 PHE N N . . 1 1 9 9 PHE C C . -66.7 -46.7 . . . A . 8 ALA C . . A . 9 PHE CA . . A . 9 PHE N . . A . 9 PHE C . . . 8 . C . . . . . 9 . CA . . . . . 9 . N . . . . . 9 . C . . rr_1dep 1
7 . . 1 1 9 9 PHE C C . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS C C . -68.3 -48.3 . . . A . 9 PHE C . . A . 10 LYS CA . . A . 10 LYS N . . A . 10 LYS C . . . 9 . C . . . . . 10 . CA . . . . . 10 . N . . . . . 10 . C . . rr_1dep 1
8 . . 1 1 10 10 LYS C C . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG N N . . 1 1 11 11 ARG C C . -67.5 -47.5 . . . A . 10 LYS C . . A . 11 ARG CA . . A . 11 ARG N . . A . 11 ARG C . . . 10 . C . . . . . 11 . CA . . . . . 11 . N . . . . . 11 . C . . rr_1dep 1
9 . . 1 1 11 11 ARG C C . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU C C . -67.5 -47.5 . . . A . 11 ARG C . . A . 12 LEU CA . . A . 12 LEU N . . A . 12 LEU C . . . 11 . C . . . . . 12 . CA . . . . . 12 . N . . . . . 12 . C . . rr_1dep 1
10 . . 1 1 12 12 LEU C C . . 1 1 13 13 LEU CA C . . 1 1 13 13 LEU N N . . 1 1 13 13 LEU C C . -67.5 -47.5 . . . A . 12 LEU C . . A . 13 LEU CA . . A . 13 LEU N . . A . 13 LEU C . . . 12 . C . . . . . 13 . CA . . . . . 13 . N . . . . . 13 . C . . rr_1dep 1
11 . . 1 1 13 13 LEU C C . . 1 1 14 14 CYS CA C . . 1 1 14 14 CYS N N . . 1 1 14 14 CYS C C . -68.3 -48.3 . . . A . 13 LEU C . . A . 14 CYS CA . . A . 14 CYS N . . A . 14 CYS C . . . 13 . C . . . . . 14 . CA . . . . . 14 . N . . . . . 14 . C . . rr_1dep 1
12 . . 1 1 14 14 CYS C C . . 1 1 15 15 PHE CA C . . 1 1 15 15 PHE N N . . 1 1 15 15 PHE C C . -68.3 -48.3 . . . A . 14 CYS C . . A . 15 PHE CA . . A . 15 PHE N . . A . 15 PHE C . . . 14 . C . . . . . 15 . CA . . . . . 15 . N . . . . . 15 . C . . rr_1dep 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_1dep
_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 MEMBRANE PROTEIN 23-AUG-95 1DEP *TITLE MEMBRANE PROTEIN, NMR, 1 STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: T345-359; *COMPND 3 CHAIN: NULL; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: THE PEPTIDE T345-359 REPRESENTS THE FOURTH *COMPND 6 INTRACELLULAR LOOP OF THE BETA-ADRENOCEPTOR FROM TURKEY *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: PART OF THE SEQUENCE OF THE BETA-ADRENOCEPTOR *SOURCE 3 FROM TURKEY; *SOURCE 4 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; *SOURCE 5 ORGANISM_COMMON: TURKEY; *KEYWDS BETA-ADRENOCEPTOR, MICELLE-BOUND PEPTIDE, MEMBRANE PROTEIN *EXPDTA NMR, 1 STRUCTURE *AUTHOR H.JUNG,K.D.SCHNACKERZ *REVDAT 1 14-OCT-96 1DEP 0"
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_framecode MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1dep
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment end
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1dep
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "restraints dihedral reset"
save_
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