NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
290423 |
1edw   |
4653 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1edw
# This DOCR archive file contains, for PDB entry <1edw>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1edw
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1edw"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1edw"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1edw
_Assembly.ID 1
_Assembly.Name 1edw
_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 2897.3121
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 RHODOPSIN 1 $RHODOPSIN A . no . . . . . . rr_1edw 1
stop_
save_
save_RHODOPSIN
_Entity.Sf_category entity
_Entity.Sf_framecode RHODOPSIN
_Entity.Entry_ID rr_1edw
_Entity.ID 1
_Entity.Name RHODOPSIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;YAGVAFYIFTHQGSDFGPIF
MTIPAF
;
_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 26
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2897.3121
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 . TYR . rr_1edw 1
2 . ALA . rr_1edw 1
3 . GLY . rr_1edw 1
4 . VAL . rr_1edw 1
5 . ALA . rr_1edw 1
6 . PHE . rr_1edw 1
7 . TYR . rr_1edw 1
8 . ILE . rr_1edw 1
9 . PHE . rr_1edw 1
10 . THR . rr_1edw 1
11 . HIS . rr_1edw 1
12 . GLN . rr_1edw 1
13 . GLY . rr_1edw 1
14 . SER . rr_1edw 1
15 . ASP . rr_1edw 1
16 . PHE . rr_1edw 1
17 . GLY . rr_1edw 1
18 . PRO . rr_1edw 1
19 . ILE . rr_1edw 1
20 . PHE . rr_1edw 1
21 . MET . rr_1edw 1
22 . THR . rr_1edw 1
23 . ILE . rr_1edw 1
24 . PRO . rr_1edw 1
25 . ALA . rr_1edw 1
26 . PHE . rr_1edw 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
. TYR 1 1 rr_1edw 1
. ALA 2 2 rr_1edw 1
. GLY 3 3 rr_1edw 1
. VAL 4 4 rr_1edw 1
. ALA 5 5 rr_1edw 1
. PHE 6 6 rr_1edw 1
. TYR 7 7 rr_1edw 1
. ILE 8 8 rr_1edw 1
. PHE 9 9 rr_1edw 1
. THR 10 10 rr_1edw 1
. HIS 11 11 rr_1edw 1
. GLN 12 12 rr_1edw 1
. GLY 13 13 rr_1edw 1
. SER 14 14 rr_1edw 1
. ASP 15 15 rr_1edw 1
. PHE 16 16 rr_1edw 1
. GLY 17 17 rr_1edw 1
. PRO 18 18 rr_1edw 1
. ILE 19 19 rr_1edw 1
. PHE 20 20 rr_1edw 1
. MET 21 21 rr_1edw 1
. THR 22 22 rr_1edw 1
. ILE 23 23 rr_1edw 1
. PRO 24 24 rr_1edw 1
. ALA 25 25 rr_1edw 1
. PHE 26 26 rr_1edw 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_1edw
_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_1edw
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1edw 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_1edw 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 TYR C C -7.950 -1.581 6.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR C . . rr_1edw 1
1 . 2 . 1 1 1 TYR CA C -7.842 -0.096 6.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CA . . rr_1edw 1
1 . 3 . 1 1 1 TYR CB C -8.858 0.784 7.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CB . . rr_1edw 1
1 . 4 . 1 1 1 TYR CD1 C -7.331 1.860 9.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CD1 . . rr_1edw 1
1 . 5 . 1 1 1 TYR CD2 C -9.238 0.571 9.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CD2 . . rr_1edw 1
1 . 6 . 1 1 1 TYR CE1 C -6.921 2.074 10.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CE1 . . rr_1edw 1
1 . 7 . 1 1 1 TYR CE2 C -8.823 0.784 11.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CE2 . . rr_1edw 1
1 . 8 . 1 1 1 TYR CG C -8.480 1.091 8.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CG . . rr_1edw 1
1 . 9 . 1 1 1 TYR CZ C -7.667 1.536 11.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR CZ . . rr_1edw 1
1 . 10 . 1 1 1 TYR H1 H -8.741 -0.570 4.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR H1 . . rr_1edw 1
1 . 11 . 1 1 1 TYR H2 H -8.149 0.997 4.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR H2 . . rr_1edw 1
1 . 12 . 1 1 1 TYR H3 H -7.127 -0.299 4.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR H3 . . rr_1edw 1
1 . 13 . 1 1 1 TYR HA H -6.837 0.247 6.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HA . . rr_1edw 1
1 . 14 . 1 1 1 TYR HB2 H -8.932 1.745 6.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HB2 . . rr_1edw 1
1 . 15 . 1 1 1 TYR HB3 H -9.842 0.312 7.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HB3 . . rr_1edw 1
1 . 16 . 1 1 1 TYR HD1 H -6.755 2.284 8.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HD1 . . rr_1edw 1
1 . 17 . 1 1 1 TYR HD2 H -10.129 -0.009 9.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HD2 . . rr_1edw 1
1 . 18 . 1 1 1 TYR HE1 H -6.033 2.659 10.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HE1 . . rr_1edw 1
1 . 19 . 1 1 1 TYR HE2 H -9.396 0.374 12.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HE2 . . rr_1edw 1
1 . 20 . 1 1 1 TYR HH H -6.481 2.269 12.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR HH . . rr_1edw 1
1 . 21 . 1 1 1 TYR N N -7.994 0.041 5.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR N . . rr_1edw 1
1 . 22 . 1 1 1 TYR O O -8.073 -2.400 6.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR O . . rr_1edw 1
1 . 23 . 1 1 1 TYR OH O -7.269 1.729 12.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 TYR OH . . rr_1edw 1
1 . 24 . 1 1 2 ALA C C -6.878 -4.136 8.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA C . . rr_1edw 1
1 . 25 . 1 1 2 ALA CA C -8.009 -3.278 8.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA CA . . rr_1edw 1
1 . 26 . 1 1 2 ALA CB C -9.418 -3.853 8.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA CB . . rr_1edw 1
1 . 27 . 1 1 2 ALA H H -7.781 -1.189 8.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA H . . rr_1edw 1
1 . 28 . 1 1 2 ALA HA H -7.846 -3.226 9.882 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA HA . . rr_1edw 1
1 . 29 . 1 1 2 ALA HB1 H -9.469 -4.861 9.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA HB1 . . rr_1edw 1
1 . 30 . 1 1 2 ALA HB2 H -10.144 -3.227 9.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA HB2 . . rr_1edw 1
1 . 31 . 1 1 2 ALA HB3 H -9.682 -3.883 7.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA HB3 . . rr_1edw 1
1 . 32 . 1 1 2 ALA N N -7.922 -1.917 8.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA N . . rr_1edw 1
1 . 33 . 1 1 2 ALA O O -5.731 -3.967 8.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 ALA O . . rr_1edw 1
1 . 34 . 1 1 3 GLY C C -5.274 -4.825 5.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY C . . rr_1edw 1
1 . 35 . 1 1 3 GLY CA C -6.135 -5.776 6.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY CA . . rr_1edw 1
1 . 36 . 1 1 3 GLY H H -8.125 -5.118 6.965 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY H . . rr_1edw 1
1 . 37 . 1 1 3 GLY HA2 H -5.511 -6.307 7.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY HA2 . . rr_1edw 1
1 . 38 . 1 1 3 GLY HA3 H -6.601 -6.505 5.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY HA3 . . rr_1edw 1
1 . 39 . 1 1 3 GLY N N -7.172 -5.028 7.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY N . . rr_1edw 1
1 . 40 . 1 1 3 GLY O O -4.047 -4.832 5.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY O . . rr_1edw 1
1 . 41 . 1 1 4 VAL C C -4.907 -1.797 4.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL C . . rr_1edw 1
1 . 42 . 1 1 4 VAL CA C -5.256 -3.014 4.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL CA . . rr_1edw 1
1 . 43 . 1 1 4 VAL CB C -6.161 -2.685 2.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL CB . . rr_1edw 1
1 . 44 . 1 1 4 VAL CG1 C -5.426 -1.835 1.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL CG1 . . rr_1edw 1
1 . 45 . 1 1 4 VAL CG2 C -6.643 -3.965 2.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL CG2 . . rr_1edw 1
1 . 46 . 1 1 4 VAL H H -6.933 -3.898 5.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL H . . rr_1edw 1
1 . 47 . 1 1 4 VAL HA H -4.333 -3.452 3.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HA . . rr_1edw 1
1 . 48 . 1 1 4 VAL HB H -7.042 -2.140 3.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HB . . rr_1edw 1
1 . 49 . 1 1 4 VAL HG11 H -4.592 -2.396 1.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG11 . . rr_1edw 1
1 . 50 . 1 1 4 VAL HG12 H -6.114 -1.578 1.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG12 . . rr_1edw 1
1 . 51 . 1 1 4 VAL HG13 H -5.048 -0.912 2.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG13 . . rr_1edw 1
1 . 52 . 1 1 4 VAL HG21 H -7.285 -4.552 2.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG21 . . rr_1edw 1
1 . 53 . 1 1 4 VAL HG22 H -7.220 -3.700 1.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG22 . . rr_1edw 1
1 . 54 . 1 1 4 VAL HG23 H -5.788 -4.571 1.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL HG23 . . rr_1edw 1
1 . 55 . 1 1 4 VAL N N -5.927 -3.971 4.966 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL N . . rr_1edw 1
1 . 56 . 1 1 4 VAL O O -5.486 -0.722 4.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 VAL O . . rr_1edw 1
1 . 57 . 1 1 5 ALA C C -2.059 -0.851 6.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA C . . rr_1edw 1
1 . 58 . 1 1 5 ALA CA C -3.583 -0.977 6.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA CA . . rr_1edw 1
1 . 59 . 1 1 5 ALA CB C -4.082 -1.350 8.296 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA CB . . rr_1edw 1
1 . 60 . 1 1 5 ALA H H -3.617 -2.920 6.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA H . . rr_1edw 1
1 . 61 . 1 1 5 ALA HA H -4.003 -0.005 6.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA HA . . rr_1edw 1
1 . 62 . 1 1 5 ALA HB1 H -3.833 -0.574 9.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA HB1 . . rr_1edw 1
1 . 63 . 1 1 5 ALA HB2 H -3.634 -2.292 8.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA HB2 . . rr_1edw 1
1 . 64 . 1 1 5 ALA HB3 H -5.165 -1.455 8.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA HB3 . . rr_1edw 1
1 . 65 . 1 1 5 ALA N N -4.025 -1.991 5.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA N . . rr_1edw 1
1 . 66 . 1 1 5 ALA O O -1.434 -1.423 5.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 ALA O . . rr_1edw 1
1 . 67 . 1 1 6 PHE C C 0.922 -0.692 7.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE C . . rr_1edw 1
1 . 68 . 1 1 6 PHE CA C -0.072 0.313 7.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CA . . rr_1edw 1
1 . 69 . 1 1 6 PHE CB C 0.312 0.637 9.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CB . . rr_1edw 1
1 . 70 . 1 1 6 PHE CD1 C 2.226 2.267 9.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CD1 . . rr_1edw 1
1 . 71 . 1 1 6 PHE CD2 C 2.710 0.043 9.882 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CD2 . . rr_1edw 1
1 . 72 . 1 1 6 PHE CE1 C 3.600 2.561 9.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CE1 . . rr_1edw 1
1 . 73 . 1 1 6 PHE CE2 C 4.085 0.335 9.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CE2 . . rr_1edw 1
1 . 74 . 1 1 6 PHE CG C 1.775 1.012 9.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CG . . rr_1edw 1
1 . 75 . 1 1 6 PHE CZ C 4.530 1.595 9.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE CZ . . rr_1edw 1
1 . 76 . 1 1 6 PHE H H -2.091 0.317 8.475 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE H . . rr_1edw 1
1 . 77 . 1 1 6 PHE HA H 0.021 1.233 7.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HA . . rr_1edw 1
1 . 78 . 1 1 6 PHE HB2 H -0.297 1.467 9.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HB2 . . rr_1edw 1
1 . 79 . 1 1 6 PHE HB3 H 0.101 -0.230 9.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HB3 . . rr_1edw 1
1 . 80 . 1 1 6 PHE HD1 H 1.522 3.007 8.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HD1 . . rr_1edw 1
1 . 81 . 1 1 6 PHE HD2 H 2.386 -0.939 10.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HD2 . . rr_1edw 1
1 . 82 . 1 1 6 PHE HE1 H 3.943 3.526 8.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HE1 . . rr_1edw 1
1 . 83 . 1 1 6 PHE HE2 H 4.803 -0.414 10.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HE2 . . rr_1edw 1
1 . 84 . 1 1 6 PHE HZ H 5.588 1.815 9.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE HZ . . rr_1edw 1
1 . 85 . 1 1 6 PHE N N -1.478 -0.097 7.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE N . . rr_1edw 1
1 . 86 . 1 1 6 PHE O O 1.846 -0.290 6.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 PHE O . . rr_1edw 1
1 . 87 . 1 1 7 TYR C C 1.835 -2.912 5.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR C . . rr_1edw 1
1 . 88 . 1 1 7 TYR CA C 1.526 -3.082 7.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CA . . rr_1edw 1
1 . 89 . 1 1 7 TYR CB C 0.770 -4.395 7.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CB . . rr_1edw 1
1 . 90 . 1 1 7 TYR CD1 C 2.613 -6.127 7.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD1 . . rr_1edw 1
1 . 91 . 1 1 7 TYR CD2 C 1.000 -6.144 5.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD2 . . rr_1edw 1
1 . 92 . 1 1 7 TYR CE1 C 3.312 -7.184 6.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE1 . . rr_1edw 1
1 . 93 . 1 1 7 TYR CE2 C 1.700 -7.199 4.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE2 . . rr_1edw 1
1 . 94 . 1 1 7 TYR CG C 1.452 -5.609 6.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CG . . rr_1edw 1
1 . 95 . 1 1 7 TYR CZ C 2.857 -7.717 5.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CZ . . rr_1edw 1
1 . 96 . 1 1 7 TYR H H -0.058 -2.213 8.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR H . . rr_1edw 1
1 . 97 . 1 1 7 TYR HA H 2.468 -3.129 7.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HA . . rr_1edw 1
1 . 98 . 1 1 7 TYR HB2 H 0.667 -4.549 8.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB2 . . rr_1edw 1
1 . 99 . 1 1 7 TYR HB3 H -0.234 -4.308 6.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB3 . . rr_1edw 1
1 . 100 . 1 1 7 TYR HD1 H 2.979 -5.706 8.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD1 . . rr_1edw 1
1 . 101 . 1 1 7 TYR HD2 H 0.123 -5.738 4.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD2 . . rr_1edw 1
1 . 102 . 1 1 7 TYR HE1 H 4.203 -7.573 7.144 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE1 . . rr_1edw 1
1 . 103 . 1 1 7 TYR HE2 H 1.355 -7.608 3.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE2 . . rr_1edw 1
1 . 104 . 1 1 7 TYR HH H 4.316 -9.004 5.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HH . . rr_1edw 1
1 . 105 . 1 1 7 TYR N N 0.744 -1.980 7.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR N . . rr_1edw 1
1 . 106 . 1 1 7 TYR O O 2.975 -3.104 5.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR O . . rr_1edw 1
1 . 107 . 1 1 7 TYR OH O 3.534 -8.737 4.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR OH . . rr_1edw 1
1 . 108 . 1 1 8 ILE C C 1.444 -1.072 2.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE C . . rr_1edw 1
1 . 109 . 1 1 8 ILE CA C 0.934 -2.480 3.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE CA . . rr_1edw 1
1 . 110 . 1 1 8 ILE CB C -0.397 -2.939 2.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE CB . . rr_1edw 1
1 . 111 . 1 1 8 ILE CD1 C 0.329 -4.997 1.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE CD1 . . rr_1edw 1
1 . 112 . 1 1 8 ILE CG1 C -0.230 -3.572 1.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE CG1 . . rr_1edw 1
1 . 113 . 1 1 8 ILE CG2 C -1.487 -1.858 2.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE CG2 . . rr_1edw 1
1 . 114 . 1 1 8 ILE H H -0.079 -2.364 5.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE H . . rr_1edw 1
1 . 115 . 1 1 8 ILE HA H 1.707 -3.176 2.970 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HA . . rr_1edw 1
1 . 116 . 1 1 8 ILE HB H -0.801 -3.728 3.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HB . . rr_1edw 1
1 . 117 . 1 1 8 ILE HD11 H 1.332 -5.005 1.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HD11 . . rr_1edw 1
1 . 118 . 1 1 8 ILE HD12 H -0.324 -5.625 1.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HD12 . . rr_1edw 1
1 . 119 . 1 1 8 ILE HD13 H 0.376 -5.411 0.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HD13 . . rr_1edw 1
1 . 120 . 1 1 8 ILE HG12 H -1.210 -3.634 0.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HG12 . . rr_1edw 1
1 . 121 . 1 1 8 ILE HG13 H 0.420 -2.970 0.615 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HG13 . . rr_1edw 1
1 . 122 . 1 1 8 ILE HG21 H -1.385 -1.228 1.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HG21 . . rr_1edw 1
1 . 123 . 1 1 8 ILE HG22 H -2.462 -2.340 2.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HG22 . . rr_1edw 1
1 . 124 . 1 1 8 ILE HG23 H -1.450 -1.237 3.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE HG23 . . rr_1edw 1
1 . 125 . 1 1 8 ILE N N 0.812 -2.599 4.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE N . . rr_1edw 1
1 . 126 . 1 1 8 ILE O O 2.171 -0.446 3.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 ILE O . . rr_1edw 1
1 . 127 . 1 1 9 PHE C C 3.033 0.948 1.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE C . . rr_1edw 1
1 . 128 . 1 1 9 PHE CA C 1.513 0.755 1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CA . . rr_1edw 1
1 . 129 . 1 1 9 PHE CB C 0.916 1.847 2.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CB . . rr_1edw 1
1 . 130 . 1 1 9 PHE CD1 C -1.566 1.564 1.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CD1 . . rr_1edw 1
1 . 131 . 1 1 9 PHE CD2 C -0.778 1.609 4.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CD2 . . rr_1edw 1
1 . 132 . 1 1 9 PHE CE1 C -2.888 1.419 2.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CE1 . . rr_1edw 1
1 . 133 . 1 1 9 PHE CE2 C -2.107 1.552 4.500 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CE2 . . rr_1edw 1
1 . 134 . 1 1 9 PHE CG C -0.504 1.631 2.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CG . . rr_1edw 1
1 . 135 . 1 1 9 PHE CZ C -3.161 1.424 3.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE CZ . . rr_1edw 1
1 . 136 . 1 1 9 PHE H H 0.526 -1.113 1.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE H . . rr_1edw 1
1 . 137 . 1 1 9 PHE HA H 1.098 0.882 0.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HA . . rr_1edw 1
1 . 138 . 1 1 9 PHE HB2 H 1.567 1.970 3.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HB2 . . rr_1edw 1
1 . 139 . 1 1 9 PHE HB3 H 0.946 2.792 1.635 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HB3 . . rr_1edw 1
1 . 140 . 1 1 9 PHE HD1 H -1.377 1.647 0.694 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HD1 . . rr_1edw 1
1 . 141 . 1 1 9 PHE HD2 H 0.030 1.660 4.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HD2 . . rr_1edw 1
1 . 142 . 1 1 9 PHE HE1 H -3.693 1.332 1.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HE1 . . rr_1edw 1
1 . 143 . 1 1 9 PHE HE2 H -2.318 1.626 5.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HE2 . . rr_1edw 1
1 . 144 . 1 1 9 PHE HZ H -4.181 1.353 3.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE HZ . . rr_1edw 1
1 . 145 . 1 1 9 PHE N N 1.131 -0.576 1.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE N . . rr_1edw 1
1 . 146 . 1 1 9 PHE O O 3.476 2.081 1.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 PHE O . . rr_1edw 1
1 . 147 . 1 1 10 THR C C 5.424 1.145 2.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR C . . rr_1edw 1
1 . 148 . 1 1 10 THR CA C 5.221 -0.031 1.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR CA . . rr_1edw 1
1 . 149 . 1 1 10 THR CB C 6.174 -0.025 0.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR CB . . rr_1edw 1
1 . 150 . 1 1 10 THR CG2 C 7.623 -0.357 1.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR CG2 . . rr_1edw 1
1 . 151 . 1 1 10 THR H H 3.407 -1.022 1.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR H . . rr_1edw 1
1 . 152 . 1 1 10 THR HA H 5.414 -0.944 2.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HA . . rr_1edw 1
1 . 153 . 1 1 10 THR HB H 6.135 0.953 0.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HB . . rr_1edw 1
1 . 154 . 1 1 10 THR HG1 H 6.328 -1.005 -1.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HG1 . . rr_1edw 1
1 . 155 . 1 1 10 THR HG21 H 7.666 -1.334 1.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HG21 . . rr_1edw 1
1 . 156 . 1 1 10 THR HG22 H 8.240 -0.379 0.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HG22 . . rr_1edw 1
1 . 157 . 1 1 10 THR HG23 H 8.034 0.391 1.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR HG23 . . rr_1edw 1
1 . 158 . 1 1 10 THR N N 3.830 -0.110 1.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR N . . rr_1edw 1
1 . 159 . 1 1 10 THR O O 6.386 1.901 2.694 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR O . . rr_1edw 1
1 . 160 . 1 1 10 THR OG1 O 5.756 -1.023 -0.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 THR OG1 . . rr_1edw 1
1 . 161 . 1 1 11 HIS C C 4.593 3.802 4.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS C . . rr_1edw 1
1 . 162 . 1 1 11 HIS CA C 4.477 2.369 4.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS CA . . rr_1edw 1
1 . 163 . 1 1 11 HIS CB C 5.581 2.102 5.783 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS CB . . rr_1edw 1
1 . 164 . 1 1 11 HIS CD2 C 6.786 0.060 6.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS CD2 . . rr_1edw 1
1 . 165 . 1 1 11 HIS CE1 C 5.110 -1.334 6.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS CE1 . . rr_1edw 1
1 . 166 . 1 1 11 HIS CG C 5.651 0.687 6.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS CG . . rr_1edw 1
1 . 167 . 1 1 11 HIS H H 3.710 0.648 3.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS H . . rr_1edw 1
1 . 168 . 1 1 11 HIS HA H 3.518 2.307 5.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HA . . rr_1edw 1
1 . 169 . 1 1 11 HIS HB2 H 6.545 2.345 5.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HB2 . . rr_1edw 1
1 . 170 . 1 1 11 HIS HB3 H 5.434 2.767 6.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HB3 . . rr_1edw 1
1 . 171 . 1 1 11 HIS HD1 H 3.625 -0.036 6.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HD1 . . rr_1edw 1
1 . 172 . 1 1 11 HIS HD2 H 7.778 0.485 6.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HD2 . . rr_1edw 1
1 . 173 . 1 1 11 HIS HE1 H 4.533 -2.214 7.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS HE1 . . rr_1edw 1
1 . 174 . 1 1 11 HIS N N 4.478 1.316 3.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS N . . rr_1edw 1
1 . 175 . 1 1 11 HIS ND1 N 4.605 -0.198 6.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS ND1 . . rr_1edw 1
1 . 176 . 1 1 11 HIS NE2 N 6.433 -1.225 7.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS NE2 . . rr_1edw 1
1 . 177 . 1 1 11 HIS O O 4.902 4.710 4.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 HIS O . . rr_1edw 1
1 . 178 . 1 1 12 GLN C C 2.938 5.738 1.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN C . . rr_1edw 1
1 . 179 . 1 1 12 GLN CA C 4.348 5.367 2.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN CA . . rr_1edw 1
1 . 180 . 1 1 12 GLN CB C 5.468 5.484 1.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN CB . . rr_1edw 1
1 . 181 . 1 1 12 GLN CD C 4.252 5.049 -0.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN CD . . rr_1edw 1
1 . 182 . 1 1 12 GLN CG C 5.355 4.603 -0.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN CG . . rr_1edw 1
1 . 183 . 1 1 12 GLN H H 4.055 3.263 2.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN H . . rr_1edw 1
1 . 184 . 1 1 12 GLN HA H 4.591 6.111 3.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HA . . rr_1edw 1
1 . 185 . 1 1 12 GLN HB2 H 5.570 6.526 0.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HB2 . . rr_1edw 1
1 . 186 . 1 1 12 GLN HB3 H 6.399 5.208 1.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HB3 . . rr_1edw 1
1 . 187 . 1 1 12 GLN HE21 H 5.217 6.793 -1.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HE21 . . rr_1edw 1
1 . 188 . 1 1 12 GLN HE22 H 3.623 6.613 -2.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HE22 . . rr_1edw 1
1 . 189 . 1 1 12 GLN HG2 H 6.303 4.664 -0.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HG2 . . rr_1edw 1
1 . 190 . 1 1 12 GLN HG3 H 5.212 3.566 0.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN HG3 . . rr_1edw 1
1 . 191 . 1 1 12 GLN N N 4.341 4.035 2.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN N . . rr_1edw 1
1 . 192 . 1 1 12 GLN NE2 N 4.370 6.261 -1.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN NE2 . . rr_1edw 1
1 . 193 . 1 1 12 GLN O O 1.969 5.079 2.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN O . . rr_1edw 1
1 . 194 . 1 1 12 GLN OE1 O 3.285 4.330 -1.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLN OE1 . . rr_1edw 1
1 . 195 . 1 1 13 GLY C C 0.656 6.600 -0.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY C . . rr_1edw 1
1 . 196 . 1 1 13 GLY CA C 1.532 7.407 0.636 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY CA . . rr_1edw 1
1 . 197 . 1 1 13 GLY H H 3.637 7.242 0.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY H . . rr_1edw 1
1 . 198 . 1 1 13 GLY HA2 H 0.956 7.589 1.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY HA2 . . rr_1edw 1
1 . 199 . 1 1 13 GLY HA3 H 1.746 8.372 0.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY HA3 . . rr_1edw 1
1 . 200 . 1 1 13 GLY N N 2.805 6.793 1.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY N . . rr_1edw 1
1 . 201 . 1 1 13 GLY O O -0.092 7.187 -1.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLY O . . rr_1edw 1
1 . 202 . 1 1 14 SER C C -0.224 4.425 -2.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER C . . rr_1edw 1
1 . 203 . 1 1 14 SER CA C -0.332 4.406 -0.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER CA . . rr_1edw 1
1 . 204 . 1 1 14 SER CB C -1.733 4.811 -0.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER CB . . rr_1edw 1
1 . 205 . 1 1 14 SER H H 1.269 4.852 0.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER H . . rr_1edw 1
1 . 206 . 1 1 14 SER HA H -0.125 3.390 -0.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER HA . . rr_1edw 1
1 . 207 . 1 1 14 SER HB2 H -1.662 5.179 0.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER HB2 . . rr_1edw 1
1 . 208 . 1 1 14 SER HB3 H -2.133 5.608 -0.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER HB3 . . rr_1edw 1
1 . 209 . 1 1 14 SER HG H -3.504 4.033 -0.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER HG . . rr_1edw 1
1 . 210 . 1 1 14 SER N N 0.654 5.269 -0.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER N . . rr_1edw 1
1 . 211 . 1 1 14 SER O O -1.240 4.321 -3.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER O . . rr_1edw 1
1 . 212 . 1 1 14 SER OG O -2.625 3.717 -0.336 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 SER OG . . rr_1edw 1
1 . 213 . 1 1 15 ASP C C 2.581 4.192 -4.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP C . . rr_1edw 1
1 . 214 . 1 1 15 ASP CA C 1.201 4.687 -4.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP CA . . rr_1edw 1
1 . 215 . 1 1 15 ASP CB C 0.894 6.132 -4.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP CB . . rr_1edw 1
1 . 216 . 1 1 15 ASP CG C 1.856 7.212 -4.333 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP CG . . rr_1edw 1
1 . 217 . 1 1 15 ASP H H 1.799 4.645 -2.322 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP H . . rr_1edw 1
1 . 218 . 1 1 15 ASP HA H 0.478 4.043 -4.876 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP HA . . rr_1edw 1
1 . 219 . 1 1 15 ASP HB2 H 0.908 6.153 -5.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP HB2 . . rr_1edw 1
1 . 220 . 1 1 15 ASP HB3 H -0.108 6.409 -4.500 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP HB3 . . rr_1edw 1
1 . 221 . 1 1 15 ASP N N 0.994 4.538 -2.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP N . . rr_1edw 1
1 . 222 . 1 1 15 ASP O O 2.686 3.162 -5.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP O . . rr_1edw 1
1 . 223 . 1 1 15 ASP OD1 O 2.491 6.993 -3.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP OD1 . . rr_1edw 1
1 . 224 . 1 1 15 ASP OD2 O 2.006 8.212 -5.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 ASP OD2 . . rr_1edw 1
1 . 225 . 1 1 16 PHE C C 5.846 4.097 -3.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE C . . rr_1edw 1
1 . 226 . 1 1 16 PHE CA C 4.984 4.778 -5.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CA . . rr_1edw 1
1 . 227 . 1 1 16 PHE CB C 5.517 6.160 -5.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CB . . rr_1edw 1
1 . 228 . 1 1 16 PHE CD1 C 6.775 5.827 -7.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CD1 . . rr_1edw 1
1 . 229 . 1 1 16 PHE CD2 C 8.049 6.254 -5.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CD2 . . rr_1edw 1
1 . 230 . 1 1 16 PHE CE1 C 7.973 5.719 -8.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CE1 . . rr_1edw 1
1 . 231 . 1 1 16 PHE CE2 C 9.246 6.146 -6.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CE2 . . rr_1edw 1
1 . 232 . 1 1 16 PHE CG C 6.810 6.103 -6.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CG . . rr_1edw 1
1 . 233 . 1 1 16 PHE CZ C 9.208 5.879 -7.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE CZ . . rr_1edw 1
1 . 234 . 1 1 16 PHE H H 3.458 5.715 -3.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE H . . rr_1edw 1
1 . 235 . 1 1 16 PHE HA H 4.963 4.160 -5.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HA . . rr_1edw 1
1 . 236 . 1 1 16 PHE HB2 H 4.765 6.661 -6.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HB2 . . rr_1edw 1
1 . 237 . 1 1 16 PHE HB3 H 5.654 6.768 -4.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HB3 . . rr_1edw 1
1 . 238 . 1 1 16 PHE HD1 H 5.828 5.694 -8.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HD1 . . rr_1edw 1
1 . 239 . 1 1 16 PHE HD2 H 8.086 6.440 -4.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HD2 . . rr_1edw 1
1 . 240 . 1 1 16 PHE HE1 H 7.942 5.508 -9.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HE1 . . rr_1edw 1
1 . 241 . 1 1 16 PHE HE2 H 10.195 6.262 -5.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HE2 . . rr_1edw 1
1 . 242 . 1 1 16 PHE HZ H 10.129 5.795 -8.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE HZ . . rr_1edw 1
1 . 243 . 1 1 16 PHE N N 3.640 4.924 -4.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE N . . rr_1edw 1
1 . 244 . 1 1 16 PHE O O 6.529 4.749 -3.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 PHE O . . rr_1edw 1
1 . 245 . 1 1 17 GLY C C 5.786 0.564 -2.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY C . . rr_1edw 1
1 . 246 . 1 1 17 GLY CA C 6.317 1.994 -2.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY CA . . rr_1edw 1
1 . 247 . 1 1 17 GLY H H 5.171 2.305 -4.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY H . . rr_1edw 1
1 . 248 . 1 1 17 GLY HA2 H 7.404 1.981 -2.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY HA2 . . rr_1edw 1
1 . 249 . 1 1 17 GLY HA3 H 6.046 2.450 -1.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY HA3 . . rr_1edw 1
1 . 250 . 1 1 17 GLY N N 5.765 2.769 -3.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY N . . rr_1edw 1
1 . 251 . 1 1 17 GLY O O 6.573 -0.378 -2.935 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY O . . rr_1edw 1
1 . 252 . 1 1 18 PRO C C 3.792 -1.420 -4.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO C . . rr_1edw 1
1 . 253 . 1 1 18 PRO CA C 3.855 -0.965 -2.847 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO CA . . rr_1edw 1
1 . 254 . 1 1 18 PRO CB C 2.474 -0.782 -2.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO CB . . rr_1edw 1
1 . 255 . 1 1 18 PRO CD C 3.456 1.367 -2.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO CD . . rr_1edw 1
1 . 256 . 1 1 18 PRO CG C 2.120 0.650 -2.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO CG . . rr_1edw 1
1 . 257 . 1 1 18 PRO HA H 4.410 -1.713 -2.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HA . . rr_1edw 1
1 . 258 . 1 1 18 PRO HB2 H 1.746 -1.523 -2.536 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HB2 . . rr_1edw 1
1 . 259 . 1 1 18 PRO HB3 H 2.578 -0.832 -1.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HB3 . . rr_1edw 1
1 . 260 . 1 1 18 PRO HD2 H 3.471 2.210 -3.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HD2 . . rr_1edw 1
1 . 261 . 1 1 18 PRO HD3 H 3.586 1.722 -1.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HD3 . . rr_1edw 1
1 . 262 . 1 1 18 PRO HG2 H 1.824 0.677 -3.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HG2 . . rr_1edw 1
1 . 263 . 1 1 18 PRO HG3 H 1.351 1.104 -2.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO HG3 . . rr_1edw 1
1 . 264 . 1 1 18 PRO N N 4.463 0.358 -2.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO N . . rr_1edw 1
1 . 265 . 1 1 18 PRO O O 2.723 -1.742 -4.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 PRO O . . rr_1edw 1
1 . 266 . 1 1 19 ILE C C 4.460 -0.634 -7.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE C . . rr_1edw 1
1 . 267 . 1 1 19 ILE CA C 5.128 -1.694 -6.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE CA . . rr_1edw 1
1 . 268 . 1 1 19 ILE CB C 4.825 -3.171 -6.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE CB . . rr_1edw 1
1 . 269 . 1 1 19 ILE CD1 C 6.257 -3.188 -8.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE CD1 . . rr_1edw 1
1 . 270 . 1 1 19 ILE CG1 C 5.987 -3.812 -7.556 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE CG1 . . rr_1edw 1
1 . 271 . 1 1 19 ILE CG2 C 3.498 -3.422 -7.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE CG2 . . rr_1edw 1
1 . 272 . 1 1 19 ILE H H 5.781 -1.200 -4.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE H . . rr_1edw 1
1 . 273 . 1 1 19 ILE HA H 6.201 -1.553 -6.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HA . . rr_1edw 1
1 . 274 . 1 1 19 ILE HB H 4.768 -3.734 -5.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HB . . rr_1edw 1
1 . 275 . 1 1 19 ILE HD11 H 6.516 -2.135 -8.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HD11 . . rr_1edw 1
1 . 276 . 1 1 19 ILE HD12 H 7.096 -3.707 -9.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HD12 . . rr_1edw 1
1 . 277 . 1 1 19 ILE HD13 H 5.389 -3.292 -9.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HD13 . . rr_1edw 1
1 . 278 . 1 1 19 ILE HG12 H 6.897 -3.740 -6.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HG12 . . rr_1edw 1
1 . 279 . 1 1 19 ILE HG13 H 5.771 -4.872 -7.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HG13 . . rr_1edw 1
1 . 280 . 1 1 19 ILE HG21 H 3.464 -2.895 -8.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HG21 . . rr_1edw 1
1 . 281 . 1 1 19 ILE HG22 H 3.387 -4.490 -7.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HG22 . . rr_1edw 1
1 . 282 . 1 1 19 ILE HG23 H 2.656 -3.103 -6.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE HG23 . . rr_1edw 1
1 . 283 . 1 1 19 ILE N N 4.946 -1.430 -4.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE N . . rr_1edw 1
1 . 284 . 1 1 19 ILE O O 5.139 0.007 -8.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ILE O . . rr_1edw 1
1 . 285 . 1 1 20 PHE C C 0.977 0.604 -7.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE C . . rr_1edw 1
1 . 286 . 1 1 20 PHE CA C 2.357 0.490 -7.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CA . . rr_1edw 1
1 . 287 . 1 1 20 PHE CB C 2.251 -0.027 -9.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CB . . rr_1edw 1
1 . 288 . 1 1 20 PHE CD1 C 1.969 2.070 -10.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CD1 . . rr_1edw 1
1 . 289 . 1 1 20 PHE CD2 C 0.120 0.488 -10.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CD2 . . rr_1edw 1
1 . 290 . 1 1 20 PHE CE1 C 1.205 2.905 -11.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CE1 . . rr_1edw 1
1 . 291 . 1 1 20 PHE CE2 C -0.647 1.330 -11.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CE2 . . rr_1edw 1
1 . 292 . 1 1 20 PHE CG C 1.436 0.850 -10.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CG . . rr_1edw 1
1 . 293 . 1 1 20 PHE CZ C -0.099 2.530 -12.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE CZ . . rr_1edw 1
1 . 294 . 1 1 20 PHE H H 2.637 -0.946 -6.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE H . . rr_1edw 1
1 . 295 . 1 1 20 PHE HA H 2.838 1.470 -7.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HA . . rr_1edw 1
1 . 296 . 1 1 20 PHE HB2 H 3.253 -0.111 -9.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HB2 . . rr_1edw 1
1 . 297 . 1 1 20 PHE HB3 H 1.819 -1.028 -9.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HB3 . . rr_1edw 1
1 . 298 . 1 1 20 PHE HD1 H 2.972 2.364 -10.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HD1 . . rr_1edw 1
1 . 299 . 1 1 20 PHE HD2 H -0.311 -0.434 -10.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HD2 . . rr_1edw 1
1 . 300 . 1 1 20 PHE HE1 H 1.626 3.831 -12.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HE1 . . rr_1edw 1
1 . 301 . 1 1 20 PHE HE2 H -1.657 1.051 -11.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HE2 . . rr_1edw 1
1 . 302 . 1 1 20 PHE HZ H -0.678 3.160 -12.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE HZ . . rr_1edw 1
1 . 303 . 1 1 20 PHE N N 3.145 -0.438 -7.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE N . . rr_1edw 1
1 . 304 . 1 1 20 PHE O O 0.620 -0.234 -6.500 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PHE O . . rr_1edw 1
1 . 305 . 1 1 21 MET C C -2.190 0.856 -7.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET C . . rr_1edw 1
1 . 306 . 1 1 21 MET CA C -1.140 1.883 -7.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CA . . rr_1edw 1
1 . 307 . 1 1 21 MET CB C -1.534 3.344 -7.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CB . . rr_1edw 1
1 . 308 . 1 1 21 MET CE C -1.846 5.572 -11.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CE . . rr_1edw 1
1 . 309 . 1 1 21 MET CG C -1.490 3.761 -8.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CG . . rr_1edw 1
1 . 310 . 1 1 21 MET H H 0.547 2.218 -8.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET H . . rr_1edw 1
1 . 311 . 1 1 21 MET HA H -1.084 1.801 -6.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HA . . rr_1edw 1
1 . 312 . 1 1 21 MET HB2 H -2.542 3.514 -7.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB2 . . rr_1edw 1
1 . 313 . 1 1 21 MET HB3 H -0.855 3.998 -6.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB3 . . rr_1edw 1
1 . 314 . 1 1 21 MET HE1 H -2.451 4.809 -11.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE1 . . rr_1edw 1
1 . 315 . 1 1 21 MET HE2 H -2.167 6.559 -11.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE2 . . rr_1edw 1
1 . 316 . 1 1 21 MET HE3 H -0.795 5.429 -11.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE3 . . rr_1edw 1
1 . 317 . 1 1 21 MET HG2 H -0.468 3.703 -9.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG2 . . rr_1edw 1
1 . 318 . 1 1 21 MET HG3 H -2.116 3.099 -9.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG3 . . rr_1edw 1
1 . 319 . 1 1 21 MET N N 0.190 1.608 -7.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET N . . rr_1edw 1
1 . 320 . 1 1 21 MET O O -3.163 1.190 -8.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET O . . rr_1edw 1
1 . 321 . 1 1 21 MET SD S -2.060 5.455 -9.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET SD . . rr_1edw 1
1 . 322 . 1 1 22 THR C C -2.982 -2.195 -5.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR C . . rr_1edw 1
1 . 323 . 1 1 22 THR CA C -3.024 -1.448 -7.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR CA . . rr_1edw 1
1 . 324 . 1 1 22 THR CB C -2.861 -2.327 -8.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR CB . . rr_1edw 1
1 . 325 . 1 1 22 THR CG2 C -1.487 -2.993 -8.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR CG2 . . rr_1edw 1
1 . 326 . 1 1 22 THR H H -1.140 -0.593 -6.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR H . . rr_1edw 1
1 . 327 . 1 1 22 THR HA H -4.011 -0.984 -7.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HA . . rr_1edw 1
1 . 328 . 1 1 22 THR HB H -3.017 -1.680 -9.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HB . . rr_1edw 1
1 . 329 . 1 1 22 THR HG1 H -3.836 -3.777 -9.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HG1 . . rr_1edw 1
1 . 330 . 1 1 22 THR HG21 H -1.373 -3.800 -7.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HG21 . . rr_1edw 1
1 . 331 . 1 1 22 THR HG22 H -1.406 -3.421 -9.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HG22 . . rr_1edw 1
1 . 332 . 1 1 22 THR HG23 H -0.684 -2.267 -8.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR HG23 . . rr_1edw 1
1 . 333 . 1 1 22 THR N N -2.010 -0.401 -7.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR N . . rr_1edw 1
1 . 334 . 1 1 22 THR O O -3.950 -2.180 -5.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR O . . rr_1edw 1
1 . 335 . 1 1 22 THR OG1 O -3.854 -3.328 -8.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 THR OG1 . . rr_1edw 1
1 . 336 . 1 1 23 ILE C C -2.102 -2.595 -3.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE C . . rr_1edw 1
1 . 337 . 1 1 23 ILE CA C -1.563 -3.385 -4.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE CA . . rr_1edw 1
1 . 338 . 1 1 23 ILE CB C -0.065 -3.719 -4.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE CB . . rr_1edw 1
1 . 339 . 1 1 23 ILE CD1 C -0.212 -5.865 -5.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE CD1 . . rr_1edw 1
1 . 340 . 1 1 23 ILE CG1 C 0.508 -4.538 -5.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE CG1 . . rr_1edw 1
1 . 341 . 1 1 23 ILE CG2 C 0.217 -4.435 -2.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE CG2 . . rr_1edw 1
1 . 342 . 1 1 23 ILE H H -1.039 -2.660 -6.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE H . . rr_1edw 1
1 . 343 . 1 1 23 ILE HA H -2.115 -4.326 -4.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HA . . rr_1edw 1
1 . 344 . 1 1 23 ILE HB H 0.486 -2.781 -4.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HB . . rr_1edw 1
1 . 345 . 1 1 23 ILE HD11 H -1.241 -5.689 -5.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HD11 . . rr_1edw 1
1 . 346 . 1 1 23 ILE HD12 H 0.305 -6.393 -6.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HD12 . . rr_1edw 1
1 . 347 . 1 1 23 ILE HD13 H -0.201 -6.491 -4.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HD13 . . rr_1edw 1
1 . 348 . 1 1 23 ILE HG12 H 0.479 -3.945 -6.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HG12 . . rr_1edw 1
1 . 349 . 1 1 23 ILE HG13 H 1.557 -4.753 -5.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HG13 . . rr_1edw 1
1 . 350 . 1 1 23 ILE HG21 H -0.422 -5.312 -2.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HG21 . . rr_1edw 1
1 . 351 . 1 1 23 ILE HG22 H 1.261 -4.747 -2.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HG22 . . rr_1edw 1
1 . 352 . 1 1 23 ILE HG23 H 0.033 -3.764 -1.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE HG23 . . rr_1edw 1
1 . 353 . 1 1 23 ILE N N -1.815 -2.742 -5.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE N . . rr_1edw 1
1 . 354 . 1 1 23 ILE O O -2.715 -3.208 -2.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ILE O . . rr_1edw 1
1 . 355 . 1 1 24 PRO C C -3.923 -0.459 -1.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO C . . rr_1edw 1
1 . 356 . 1 1 24 PRO CA C -2.393 -0.521 -1.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO CA . . rr_1edw 1
1 . 357 . 1 1 24 PRO CB C -1.775 0.872 -1.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO CB . . rr_1edw 1
1 . 358 . 1 1 24 PRO CD C -1.098 -0.397 -3.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO CD . . rr_1edw 1
1 . 359 . 1 1 24 PRO CG C -1.459 1.026 -3.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO CG . . rr_1edw 1
1 . 360 . 1 1 24 PRO HA H -2.047 -0.983 -0.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HA . . rr_1edw 1
1 . 361 . 1 1 24 PRO HB2 H -2.456 1.647 -1.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HB2 . . rr_1edw 1
1 . 362 . 1 1 24 PRO HB3 H -0.844 0.897 -1.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HB3 . . rr_1edw 1
1 . 363 . 1 1 24 PRO HD2 H -1.308 -0.488 -4.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HD2 . . rr_1edw 1
1 . 364 . 1 1 24 PRO HD3 H -0.044 -0.585 -3.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HD3 . . rr_1edw 1
1 . 365 . 1 1 24 PRO HG2 H -2.360 1.345 -3.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HG2 . . rr_1edw 1
1 . 366 . 1 1 24 PRO HG3 H -0.647 1.729 -3.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO HG3 . . rr_1edw 1
1 . 367 . 1 1 24 PRO N N -1.890 -1.271 -2.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO N . . rr_1edw 1
1 . 368 . 1 1 24 PRO O O -4.473 -0.265 -0.665 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PRO O . . rr_1edw 1
1 . 369 . 1 1 25 ALA C C -6.358 -2.241 -2.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA C . . rr_1edw 1
1 . 370 . 1 1 25 ALA CA C -6.061 -0.806 -2.876 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA CA . . rr_1edw 1
1 . 371 . 1 1 25 ALA CB C -6.652 -0.498 -4.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA CB . . rr_1edw 1
1 . 372 . 1 1 25 ALA H H -4.131 -0.851 -3.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA H . . rr_1edw 1
1 . 373 . 1 1 25 ALA HA H -6.517 -0.119 -2.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HA . . rr_1edw 1
1 . 374 . 1 1 25 ALA HB1 H -7.737 -0.588 -4.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB1 . . rr_1edw 1
1 . 375 . 1 1 25 ALA HB2 H -6.391 0.519 -4.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB2 . . rr_1edw 1
1 . 376 . 1 1 25 ALA HB3 H -6.279 -1.196 -5.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB3 . . rr_1edw 1
1 . 377 . 1 1 25 ALA N N -4.616 -0.619 -2.883 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA N . . rr_1edw 1
1 . 378 . 1 1 25 ALA O O -7.153 -2.456 -1.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA O . . rr_1edw 1
1 . 379 . 1 1 26 PHE C C -7.072 -5.162 -3.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE C . . rr_1edw 1
1 . 380 . 1 1 26 PHE CA C -5.753 -4.623 -2.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CA . . rr_1edw 1
1 . 381 . 1 1 26 PHE CB C -5.538 -4.907 -1.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CB . . rr_1edw 1
1 . 382 . 1 1 26 PHE CD1 C -5.496 -7.420 -0.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CD1 . . rr_1edw 1
1 . 383 . 1 1 26 PHE CD2 C -3.418 -6.175 -0.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CD2 . . rr_1edw 1
1 . 384 . 1 1 26 PHE CE1 C -4.816 -8.611 -0.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CE1 . . rr_1edw 1
1 . 385 . 1 1 26 PHE CE2 C -2.738 -7.365 -0.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CE2 . . rr_1edw 1
1 . 386 . 1 1 26 PHE CG C -4.801 -6.198 -0.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CG . . rr_1edw 1
1 . 387 . 1 1 26 PHE CZ C -3.438 -8.584 -0.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE CZ . . rr_1edw 1
1 . 388 . 1 1 26 PHE H H -5.071 -2.918 -3.840 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE H . . rr_1edw 1
1 . 389 . 1 1 26 PHE HA H -4.940 -5.095 -3.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HA . . rr_1edw 1
1 . 390 . 1 1 26 PHE HB2 H -4.957 -4.090 -0.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HB2 . . rr_1edw 1
1 . 391 . 1 1 26 PHE HB3 H -6.506 -4.909 -0.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HB3 . . rr_1edw 1
1 . 392 . 1 1 26 PHE HD1 H -6.554 -7.446 -1.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HD1 . . rr_1edw 1
1 . 393 . 1 1 26 PHE HD2 H -2.873 -5.244 -0.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HD2 . . rr_1edw 1
1 . 394 . 1 1 26 PHE HE1 H -5.357 -9.546 -0.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HE1 . . rr_1edw 1
1 . 395 . 1 1 26 PHE HE2 H -1.678 -7.342 -0.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HE2 . . rr_1edw 1
1 . 396 . 1 1 26 PHE HZ H -2.916 -9.500 -0.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE HZ . . rr_1edw 1
1 . 397 . 1 1 26 PHE N N -5.662 -3.195 -3.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE N . . rr_1edw 1
1 . 398 . 1 1 26 PHE O O -7.762 -5.926 -2.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE O . . rr_1edw 1
1 . 399 . 1 1 26 PHE OXT O -7.368 -4.797 -4.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 PHE OXT . . rr_1edw 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_1edw
_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 1edw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1edw 1
1 1edw.mr . . SYBYL 2 distance NOE simple 0 rr_1edw 1
1 1edw.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1edw 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_1edw
_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 ION TRANSPORT 28-JAN-00 1EDW *TITLE SOLUTION STRUCTURE OF THIRD INTRADISKAL LOOP OF BOVINE *TITLE 2 RHODOPSIN (RESIDUES 268-293) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RHODOPSIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: THIRD INTRADISKAL LOOP (RESIDUES 268-293); *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: BOVINE RHODOPSIN *KEYWDS HELIX-TURN-HELIX *EXPDTA NMR *AUTHOR P.L.YEAGLE, A.SALLOUM, A.CHOPRA, N.BHAWSAR, L.ALI *REVDAT 1 09-AUG-00 1EDW 0 "
save_
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