NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
290321 |
1eds   |
4655 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_1eds
# This FRED archive file contains, for PDB entry <1eds>:
#
# - 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 and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# 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_1eds
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1eds"
_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 1eds"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1eds
_Assembly.ID 1
_Assembly.Name 1eds
_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 3311.7038
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_1eds 1
stop_
save_
save_RHODOPSIN
_Entity.Sf_category entity
_Entity.Sf_framecode RHODOPSIN
_Entity.Entry_ID rr_1eds
_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
;TTLYTSLHGYFVFGPTGCNL
EGFFATLGGEI
;
_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 31
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3311.7038
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 . THR . rr_1eds 1
2 . THR . rr_1eds 1
3 . LEU . rr_1eds 1
4 . TYR . rr_1eds 1
5 . THR . rr_1eds 1
6 . SER . rr_1eds 1
7 . LEU . rr_1eds 1
8 . HIS . rr_1eds 1
9 . GLY . rr_1eds 1
10 . TYR . rr_1eds 1
11 . PHE . rr_1eds 1
12 . VAL . rr_1eds 1
13 . PHE . rr_1eds 1
14 . GLY . rr_1eds 1
15 . PRO . rr_1eds 1
16 . THR . rr_1eds 1
17 . GLY . rr_1eds 1
18 . CYS . rr_1eds 1
19 . ASN . rr_1eds 1
20 . LEU . rr_1eds 1
21 . GLU . rr_1eds 1
22 . GLY . rr_1eds 1
23 . PHE . rr_1eds 1
24 . PHE . rr_1eds 1
25 . ALA . rr_1eds 1
26 . THR . rr_1eds 1
27 . LEU . rr_1eds 1
28 . GLY . rr_1eds 1
29 . GLY . rr_1eds 1
30 . GLU . rr_1eds 1
31 . ILE . rr_1eds 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
. THR 1 1 rr_1eds 1
. THR 2 2 rr_1eds 1
. LEU 3 3 rr_1eds 1
. TYR 4 4 rr_1eds 1
. THR 5 5 rr_1eds 1
. SER 6 6 rr_1eds 1
. LEU 7 7 rr_1eds 1
. HIS 8 8 rr_1eds 1
. GLY 9 9 rr_1eds 1
. TYR 10 10 rr_1eds 1
. PHE 11 11 rr_1eds 1
. VAL 12 12 rr_1eds 1
. PHE 13 13 rr_1eds 1
. GLY 14 14 rr_1eds 1
. PRO 15 15 rr_1eds 1
. THR 16 16 rr_1eds 1
. GLY 17 17 rr_1eds 1
. CYS 18 18 rr_1eds 1
. ASN 19 19 rr_1eds 1
. LEU 20 20 rr_1eds 1
. GLU 21 21 rr_1eds 1
. GLY 22 22 rr_1eds 1
. PHE 23 23 rr_1eds 1
. PHE 24 24 rr_1eds 1
. ALA 25 25 rr_1eds 1
. THR 26 26 rr_1eds 1
. LEU 27 27 rr_1eds 1
. GLY 28 28 rr_1eds 1
. GLY 29 29 rr_1eds 1
. GLU 30 30 rr_1eds 1
. ILE 31 31 rr_1eds 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_1eds
_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_1eds
_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_1eds 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_1eds 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 THR C C 1.611 7.151 1.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR C . . rr_1eds 1
1 . 2 . 1 1 1 THR CA C 1.889 7.487 3.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR CA . . rr_1eds 1
1 . 3 . 1 1 1 THR CB C 1.477 6.314 4.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR CB . . rr_1eds 1
1 . 4 . 1 1 1 THR CG2 C -0.029 6.024 4.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR CG2 . . rr_1eds 1
1 . 5 . 1 1 1 THR H1 H 0.205 8.587 3.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR H1 . . rr_1eds 1
1 . 6 . 1 1 1 THR H2 H 1.159 8.907 4.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR H2 . . rr_1eds 1
1 . 7 . 1 1 1 THR H3 H 1.550 9.499 3.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR H3 . . rr_1eds 1
1 . 8 . 1 1 1 THR HA H 2.957 7.672 3.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HA . . rr_1eds 1
1 . 9 . 1 1 1 THR HB H 1.774 6.534 5.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HB . . rr_1eds 1
1 . 10 . 1 1 1 THR HG1 H 1.670 4.370 3.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HG1 . . rr_1eds 1
1 . 11 . 1 1 1 THR HG21 H -0.348 5.724 3.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HG21 . . rr_1eds 1
1 . 12 . 1 1 1 THR HG22 H -0.254 5.210 4.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HG22 . . rr_1eds 1
1 . 13 . 1 1 1 THR HG23 H -0.607 6.894 4.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR HG23 . . rr_1eds 1
1 . 14 . 1 1 1 THR N N 1.152 8.719 3.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR N . . rr_1eds 1
1 . 15 . 1 1 1 THR O O 0.512 7.445 1.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR O . . rr_1eds 1
1 . 16 . 1 1 1 THR OG1 O 2.169 5.156 3.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 THR OG1 . . rr_1eds 1
1 . 17 . 1 1 2 THR C C 1.578 4.580 -0.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR C . . rr_1eds 1
1 . 18 . 1 1 2 THR CA C 2.326 5.907 -0.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR CA . . rr_1eds 1
1 . 19 . 1 1 2 THR CB C 3.711 5.718 -0.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR CB . . rr_1eds 1
1 . 20 . 1 1 2 THR CG2 C 4.207 7.038 -1.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR CG2 . . rr_1eds 1
1 . 21 . 1 1 2 THR H H 3.426 6.241 1.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR H . . rr_1eds 1
1 . 22 . 1 1 2 THR HA H 1.716 6.555 -0.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HA . . rr_1eds 1
1 . 23 . 1 1 2 THR HB H 3.669 4.971 -1.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HB . . rr_1eds 1
1 . 24 . 1 1 2 THR HG1 H 5.453 5.059 -0.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HG1 . . rr_1eds 1
1 . 25 . 1 1 2 THR HG21 H 4.268 7.804 -0.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HG21 . . rr_1eds 1
1 . 26 . 1 1 2 THR HG22 H 5.195 6.895 -1.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HG22 . . rr_1eds 1
1 . 27 . 1 1 2 THR HG23 H 3.523 7.371 -2.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR HG23 . . rr_1eds 1
1 . 28 . 1 1 2 THR N N 2.544 6.509 1.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR N . . rr_1eds 1
1 . 29 . 1 1 2 THR O O 2.027 3.520 -0.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR O . . rr_1eds 1
1 . 30 . 1 1 2 THR OG1 O 4.628 5.324 0.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 THR OG1 . . rr_1eds 1
1 . 31 . 1 1 3 LEU C C 0.698 2.805 2.213 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU C . . rr_1eds 1
1 . 32 . 1 1 3 LEU CA C -0.228 3.515 1.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU CA . . rr_1eds 1
1 . 33 . 1 1 3 LEU CB C -0.847 2.559 0.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU CB . . rr_1eds 1
1 . 34 . 1 1 3 LEU CD1 C -2.484 2.179 -1.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU CD1 . . rr_1eds 1
1 . 35 . 1 1 3 LEU CD2 C -2.801 4.186 -0.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU CD2 . . rr_1eds 1
1 . 36 . 1 1 3 LEU CG C -1.760 3.263 -0.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU CG . . rr_1eds 1
1 . 37 . 1 1 3 LEU H H 0.114 5.571 0.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU H . . rr_1eds 1
1 . 38 . 1 1 3 LEU HA H -1.052 3.913 1.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HA . . rr_1eds 1
1 . 39 . 1 1 3 LEU HB2 H -0.066 2.035 -0.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HB2 . . rr_1eds 1
1 . 40 . 1 1 3 LEU HB3 H -1.428 1.815 0.736 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HB3 . . rr_1eds 1
1 . 41 . 1 1 3 LEU HD11 H -3.142 1.624 -0.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD11 . . rr_1eds 1
1 . 42 . 1 1 3 LEU HD12 H -3.070 2.626 -2.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD12 . . rr_1eds 1
1 . 43 . 1 1 3 LEU HD13 H -1.756 1.492 -2.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD13 . . rr_1eds 1
1 . 44 . 1 1 3 LEU HD21 H -2.317 5.056 0.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD21 . . rr_1eds 1
1 . 45 . 1 1 3 LEU HD22 H -3.500 4.538 -0.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD22 . . rr_1eds 1
1 . 46 . 1 1 3 LEU HD23 H -3.351 3.648 0.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HD23 . . rr_1eds 1
1 . 47 . 1 1 3 LEU HG H -1.151 3.853 -1.511 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU HG . . rr_1eds 1
1 . 48 . 1 1 3 LEU N N 0.444 4.644 0.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU N . . rr_1eds 1
1 . 49 . 1 1 3 LEU O O 0.521 2.952 3.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 LEU O . . rr_1eds 1
1 . 50 . 1 1 4 TYR C C 1.829 0.365 3.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR C . . rr_1eds 1
1 . 51 . 1 1 4 TYR CA C 2.617 1.262 2.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CA . . rr_1eds 1
1 . 52 . 1 1 4 TYR CB C 3.645 2.160 3.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CB . . rr_1eds 1
1 . 53 . 1 1 4 TYR CD1 C 5.733 0.729 3.154 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CD1 . . rr_1eds 1
1 . 54 . 1 1 4 TYR CD2 C 4.825 1.378 5.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CD2 . . rr_1eds 1
1 . 55 . 1 1 4 TYR CE1 C 6.755 0.013 3.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CE1 . . rr_1eds 1
1 . 56 . 1 1 4 TYR CE2 C 5.854 0.670 5.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CE2 . . rr_1eds 1
1 . 57 . 1 1 4 TYR CG C 4.762 1.409 3.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CG . . rr_1eds 1
1 . 58 . 1 1 4 TYR CZ C 6.815 -0.017 5.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR CZ . . rr_1eds 1
1 . 59 . 1 1 4 TYR H H 1.861 2.147 0.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR H . . rr_1eds 1
1 . 60 . 1 1 4 TYR HA H 3.157 0.614 1.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HA . . rr_1eds 1
1 . 61 . 1 1 4 TYR HB2 H 4.095 2.823 2.471 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HB2 . . rr_1eds 1
1 . 62 . 1 1 4 TYR HB3 H 3.131 2.779 3.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HB3 . . rr_1eds 1
1 . 63 . 1 1 4 TYR HD1 H 5.697 0.754 2.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HD1 . . rr_1eds 1
1 . 64 . 1 1 4 TYR HD2 H 4.078 1.886 5.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HD2 . . rr_1eds 1
1 . 65 . 1 1 4 TYR HE1 H 7.498 -0.514 3.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HE1 . . rr_1eds 1
1 . 66 . 1 1 4 TYR HE2 H 5.895 0.659 7.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HE2 . . rr_1eds 1
1 . 67 . 1 1 4 TYR HH H 7.762 -0.661 6.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR HH . . rr_1eds 1
1 . 68 . 1 1 4 TYR N N 1.695 2.069 1.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR N . . rr_1eds 1
1 . 69 . 1 1 4 TYR O O 1.966 0.460 4.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR O . . rr_1eds 1
1 . 70 . 1 1 4 TYR OH O 7.811 -0.711 5.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 TYR OH . . rr_1eds 1
1 . 71 . 1 1 5 THR C C -0.707 -0.546 4.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR C . . rr_1eds 1
1 . 72 . 1 1 5 THR CA C 0.015 -1.336 3.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CA . . rr_1eds 1
1 . 73 . 1 1 5 THR CB C 0.635 -2.684 3.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CB . . rr_1eds 1
1 . 74 . 1 1 5 THR CG2 C 1.842 -2.608 4.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CG2 . . rr_1eds 1
1 . 75 . 1 1 5 THR H H 0.970 -0.497 1.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR H . . rr_1eds 1
1 . 76 . 1 1 5 THR HA H -0.751 -1.592 2.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HA . . rr_1eds 1
1 . 77 . 1 1 5 THR HB H 0.979 -3.180 3.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HB . . rr_1eds 1
1 . 78 . 1 1 5 THR HG1 H 0.020 -4.358 4.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG1 . . rr_1eds 1
1 . 79 . 1 1 5 THR HG21 H 1.588 -2.096 5.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG21 . . rr_1eds 1
1 . 80 . 1 1 5 THR HG22 H 2.179 -3.616 5.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG22 . . rr_1eds 1
1 . 81 . 1 1 5 THR HG23 H 2.666 -2.084 4.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG23 . . rr_1eds 1
1 . 82 . 1 1 5 THR N N 0.985 -0.493 2.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR N . . rr_1eds 1
1 . 83 . 1 1 5 THR O O -0.427 -0.695 5.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR O . . rr_1eds 1
1 . 84 . 1 1 5 THR OG1 O -0.365 -3.507 4.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR OG1 . . rr_1eds 1
1 . 85 . 1 1 6 SER C C -2.748 0.898 6.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER C . . rr_1eds 1
1 . 86 . 1 1 6 SER CA C -2.305 1.337 5.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER CA . . rr_1eds 1
1 . 87 . 1 1 6 SER CB C -3.480 1.882 4.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER CB . . rr_1eds 1
1 . 88 . 1 1 6 SER H H -1.840 0.399 3.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER H . . rr_1eds 1
1 . 89 . 1 1 6 SER HA H -1.580 2.144 5.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HA . . rr_1eds 1
1 . 90 . 1 1 6 SER HB2 H -4.354 1.244 4.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HB2 . . rr_1eds 1
1 . 91 . 1 1 6 SER HB3 H -3.718 2.889 4.575 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HB3 . . rr_1eds 1
1 . 92 . 1 1 6 SER HG H -3.821 2.345 2.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HG . . rr_1eds 1
1 . 93 . 1 1 6 SER N N -1.650 0.308 4.249 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER N . . rr_1eds 1
1 . 94 . 1 1 6 SER O O -2.762 1.722 7.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER O . . rr_1eds 1
1 . 95 . 1 1 6 SER OG O -3.123 1.906 2.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER OG . . rr_1eds 1
1 . 96 . 1 1 7 LEU C C -2.235 -0.477 8.957 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU C . . rr_1eds 1
1 . 97 . 1 1 7 LEU CA C -3.199 -1.068 7.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU CA . . rr_1eds 1
1 . 98 . 1 1 7 LEU CB C -2.950 -2.569 7.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU CB . . rr_1eds 1
1 . 99 . 1 1 7 LEU CD1 C -1.867 -3.498 9.824 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU CD1 . . rr_1eds 1
1 . 100 . 1 1 7 LEU CD2 C -4.379 -3.330 9.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU CD2 . . rr_1eds 1
1 . 101 . 1 1 7 LEU CG C -3.075 -3.526 8.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU CG . . rr_1eds 1
1 . 102 . 1 1 7 LEU H H -3.019 -0.981 5.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU H . . rr_1eds 1
1 . 103 . 1 1 7 LEU HA H -4.217 -0.925 8.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HA . . rr_1eds 1
1 . 104 . 1 1 7 LEU HB2 H -3.681 -2.898 6.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HB2 . . rr_1eds 1
1 . 105 . 1 1 7 LEU HB3 H -1.960 -2.700 7.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HB3 . . rr_1eds 1
1 . 106 . 1 1 7 LEU HD11 H -1.873 -2.613 10.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD11 . . rr_1eds 1
1 . 107 . 1 1 7 LEU HD12 H -1.903 -4.374 10.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD12 . . rr_1eds 1
1 . 108 . 1 1 7 LEU HD13 H -0.940 -3.529 9.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD13 . . rr_1eds 1
1 . 109 . 1 1 7 LEU HD21 H -5.227 -3.404 8.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD21 . . rr_1eds 1
1 . 110 . 1 1 7 LEU HD22 H -4.470 -4.109 10.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD22 . . rr_1eds 1
1 . 111 . 1 1 7 LEU HD23 H -4.390 -2.359 10.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HD23 . . rr_1eds 1
1 . 112 . 1 1 7 LEU HG H -3.102 -4.532 8.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU HG . . rr_1eds 1
1 . 113 . 1 1 7 LEU N N -3.077 -0.389 6.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU N . . rr_1eds 1
1 . 114 . 1 1 7 LEU O O -2.630 -0.186 10.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 LEU O . . rr_1eds 1
1 . 115 . 1 1 8 HIS C C -0.472 1.949 9.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS C . . rr_1eds 1
1 . 116 . 1 1 8 HIS CA C 0.038 0.523 9.213 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS CA . . rr_1eds 1
1 . 117 . 1 1 8 HIS CB C 1.284 0.505 8.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS CB . . rr_1eds 1
1 . 118 . 1 1 8 HIS CD2 C 3.723 0.682 9.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS CD2 . . rr_1eds 1
1 . 119 . 1 1 8 HIS CE1 C 3.857 2.853 9.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS CE1 . . rr_1eds 1
1 . 120 . 1 1 8 HIS CG C 2.491 1.225 8.852 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS CG . . rr_1eds 1
1 . 121 . 1 1 8 HIS H H -0.765 -0.559 7.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS H . . rr_1eds 1
1 . 122 . 1 1 8 HIS HA H 0.293 0.042 10.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HA . . rr_1eds 1
1 . 123 . 1 1 8 HIS HB2 H 1.562 -0.533 8.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HB2 . . rr_1eds 1
1 . 124 . 1 1 8 HIS HB3 H 1.033 0.961 7.351 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HB3 . . rr_1eds 1
1 . 125 . 1 1 8 HIS HD1 H 1.829 3.238 8.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HD1 . . rr_1eds 1
1 . 126 . 1 1 8 HIS HD2 H 3.994 -0.359 8.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HD2 . . rr_1eds 1
1 . 127 . 1 1 8 HIS HE1 H 4.237 3.841 9.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS HE1 . . rr_1eds 1
1 . 128 . 1 1 8 HIS N N -0.981 -0.272 8.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS N . . rr_1eds 1
1 . 129 . 1 1 8 HIS ND1 N 2.594 2.584 9.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS ND1 . . rr_1eds 1
1 . 130 . 1 1 8 HIS NE2 N 4.585 1.725 9.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS NE2 . . rr_1eds 1
1 . 131 . 1 1 8 HIS O O -0.104 2.915 8.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 HIS O . . rr_1eds 1
1 . 132 . 1 1 9 GLY C C -2.920 3.930 10.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY C . . rr_1eds 1
1 . 133 . 1 1 9 GLY CA C -1.766 3.382 11.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY CA . . rr_1eds 1
1 . 134 . 1 1 9 GLY H H -1.705 1.250 10.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY H . . rr_1eds 1
1 . 135 . 1 1 9 GLY HA2 H -2.104 3.247 12.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY HA2 . . rr_1eds 1
1 . 136 . 1 1 9 GLY HA3 H -0.948 4.103 11.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY HA3 . . rr_1eds 1
1 . 137 . 1 1 9 GLY N N -1.303 2.097 10.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY N . . rr_1eds 1
1 . 138 . 1 1 9 GLY O O -4.020 4.132 10.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY O . . rr_1eds 1
1 . 139 . 1 1 10 TYR C C -4.760 3.768 7.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR C . . rr_1eds 1
1 . 140 . 1 1 10 TYR CA C -3.655 4.761 7.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CA . . rr_1eds 1
1 . 141 . 1 1 10 TYR CB C -2.900 5.286 6.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CB . . rr_1eds 1
1 . 142 . 1 1 10 TYR CD1 C -0.656 6.223 7.475 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CD1 . . rr_1eds 1
1 . 143 . 1 1 10 TYR CD2 C -2.276 7.717 6.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CD2 . . rr_1eds 1
1 . 144 . 1 1 10 TYR CE1 C 0.331 7.217 7.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CE1 . . rr_1eds 1
1 . 145 . 1 1 10 TYR CE2 C -1.275 8.690 6.288 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CE2 . . rr_1eds 1
1 . 146 . 1 1 10 TYR CG C -1.956 6.454 6.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CG . . rr_1eds 1
1 . 147 . 1 1 10 TYR CZ C 0.034 8.429 6.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR CZ . . rr_1eds 1
1 . 148 . 1 1 10 TYR H H -1.805 3.832 8.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR H . . rr_1eds 1
1 . 149 . 1 1 10 TYR HA H -4.136 5.609 8.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HA . . rr_1eds 1
1 . 150 . 1 1 10 TYR HB2 H -2.334 4.462 6.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HB2 . . rr_1eds 1
1 . 151 . 1 1 10 TYR HB3 H -3.623 5.607 6.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HB3 . . rr_1eds 1
1 . 152 . 1 1 10 TYR HD1 H -0.384 5.259 7.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HD1 . . rr_1eds 1
1 . 153 . 1 1 10 TYR HD2 H -3.271 7.918 6.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HD2 . . rr_1eds 1
1 . 154 . 1 1 10 TYR HE1 H 1.335 7.005 7.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HE1 . . rr_1eds 1
1 . 155 . 1 1 10 TYR HE2 H -1.512 9.627 5.804 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HE2 . . rr_1eds 1
1 . 156 . 1 1 10 TYR HH H 1.811 9.183 6.823 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR HH . . rr_1eds 1
1 . 157 . 1 1 10 TYR N N -2.691 4.157 8.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR N . . rr_1eds 1
1 . 158 . 1 1 10 TYR O O -5.156 3.736 6.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR O . . rr_1eds 1
1 . 159 . 1 1 10 TYR OH O 1.057 9.187 6.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 TYR OH . . rr_1eds 1
1 . 160 . 1 1 11 PHE C C -7.312 2.256 7.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE C . . rr_1eds 1
1 . 161 . 1 1 11 PHE CA C -6.178 1.851 8.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CA . . rr_1eds 1
1 . 162 . 1 1 11 PHE CB C -6.714 1.309 9.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CB . . rr_1eds 1
1 . 163 . 1 1 11 PHE CD1 C -7.489 -1.040 9.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CD1 . . rr_1eds 1
1 . 164 . 1 1 11 PHE CD2 C -9.159 0.630 9.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CD2 . . rr_1eds 1
1 . 165 . 1 1 11 PHE CE1 C -8.504 -1.995 8.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CE1 . . rr_1eds 1
1 . 166 . 1 1 11 PHE CE2 C -10.175 -0.324 9.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CE2 . . rr_1eds 1
1 . 167 . 1 1 11 PHE CG C -7.811 0.272 9.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CG . . rr_1eds 1
1 . 168 . 1 1 11 PHE CZ C -9.848 -1.637 9.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE CZ . . rr_1eds 1
1 . 169 . 1 1 11 PHE H H -4.957 3.110 9.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE H . . rr_1eds 1
1 . 170 . 1 1 11 PHE HA H -5.604 1.062 7.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HA . . rr_1eds 1
1 . 171 . 1 1 11 PHE HB2 H -5.885 0.864 10.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HB2 . . rr_1eds 1
1 . 172 . 1 1 11 PHE HB3 H -7.095 2.138 10.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HB3 . . rr_1eds 1
1 . 173 . 1 1 11 PHE HD1 H -6.461 -1.317 8.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HD1 . . rr_1eds 1
1 . 174 . 1 1 11 PHE HD2 H -9.426 1.636 9.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HD2 . . rr_1eds 1
1 . 175 . 1 1 11 PHE HE1 H -8.253 -3.004 8.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HE1 . . rr_1eds 1
1 . 176 . 1 1 11 PHE HE2 H -11.209 -0.047 9.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HE2 . . rr_1eds 1
1 . 177 . 1 1 11 PHE HZ H -10.630 -2.371 8.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE HZ . . rr_1eds 1
1 . 178 . 1 1 11 PHE N N -5.281 2.972 8.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE N . . rr_1eds 1
1 . 179 . 1 1 11 PHE O O -7.469 1.693 6.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 PHE O . . rr_1eds 1
1 . 180 . 1 1 12 VAL C C -8.933 4.093 5.533 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL C . . rr_1eds 1
1 . 181 . 1 1 12 VAL CA C -9.233 3.794 7.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL CA . . rr_1eds 1
1 . 182 . 1 1 12 VAL CB C -9.762 5.040 7.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL CB . . rr_1eds 1
1 . 183 . 1 1 12 VAL CG1 C -10.990 5.643 7.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL CG1 . . rr_1eds 1
1 . 184 . 1 1 12 VAL CG2 C -10.156 4.697 9.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL CG2 . . rr_1eds 1
1 . 185 . 1 1 12 VAL H H -7.806 3.719 8.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL H . . rr_1eds 1
1 . 186 . 1 1 12 VAL HA H -10.004 3.022 7.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HA . . rr_1eds 1
1 . 187 . 1 1 12 VAL HB H -8.979 5.800 7.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HB . . rr_1eds 1
1 . 188 . 1 1 12 VAL HG11 H -11.763 4.884 6.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG11 . . rr_1eds 1
1 . 189 . 1 1 12 VAL HG12 H -11.389 6.464 7.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG12 . . rr_1eds 1
1 . 190 . 1 1 12 VAL HG13 H -10.721 6.041 6.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG13 . . rr_1eds 1
1 . 191 . 1 1 12 VAL HG21 H -9.293 4.366 9.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG21 . . rr_1eds 1
1 . 192 . 1 1 12 VAL HG22 H -10.567 5.581 9.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG22 . . rr_1eds 1
1 . 193 . 1 1 12 VAL HG23 H -10.911 3.910 9.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL HG23 . . rr_1eds 1
1 . 194 . 1 1 12 VAL N N -8.062 3.282 7.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL N . . rr_1eds 1
1 . 195 . 1 1 12 VAL O O -9.823 3.993 4.692 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 VAL O . . rr_1eds 1
1 . 196 . 1 1 13 PHE C C -7.200 3.686 2.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE C . . rr_1eds 1
1 . 197 . 1 1 13 PHE CA C -7.340 4.877 3.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CA . . rr_1eds 1
1 . 198 . 1 1 13 PHE CB C -6.052 5.711 3.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CB . . rr_1eds 1
1 . 199 . 1 1 13 PHE CD1 C -6.089 7.107 6.001 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CD1 . . rr_1eds 1
1 . 200 . 1 1 13 PHE CD2 C -6.349 8.228 3.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CD2 . . rr_1eds 1
1 . 201 . 1 1 13 PHE CE1 C -6.172 8.346 6.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CE1 . . rr_1eds 1
1 . 202 . 1 1 13 PHE CE2 C -6.430 9.467 4.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CE2 . . rr_1eds 1
1 . 203 . 1 1 13 PHE CG C -6.165 7.043 4.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CG . . rr_1eds 1
1 . 204 . 1 1 13 PHE CZ C -6.337 9.527 5.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE CZ . . rr_1eds 1
1 . 205 . 1 1 13 PHE H H -6.951 4.405 5.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE H . . rr_1eds 1
1 . 206 . 1 1 13 PHE HA H -8.134 5.515 3.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HA . . rr_1eds 1
1 . 207 . 1 1 13 PHE HB2 H -5.246 5.124 4.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HB2 . . rr_1eds 1
1 . 208 . 1 1 13 PHE HB3 H -5.774 5.906 2.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HB3 . . rr_1eds 1
1 . 209 . 1 1 13 PHE HD1 H -5.975 6.210 6.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HD1 . . rr_1eds 1
1 . 210 . 1 1 13 PHE HD2 H -6.438 8.194 2.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HD2 . . rr_1eds 1
1 . 211 . 1 1 13 PHE HE1 H -6.115 8.390 7.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HE1 . . rr_1eds 1
1 . 212 . 1 1 13 PHE HE2 H -6.575 10.373 3.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HE2 . . rr_1eds 1
1 . 213 . 1 1 13 PHE HZ H -6.406 10.480 6.423 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE HZ . . rr_1eds 1
1 . 214 . 1 1 13 PHE N N -7.692 4.466 5.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE N . . rr_1eds 1
1 . 215 . 1 1 13 PHE O O -7.179 3.912 1.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PHE O . . rr_1eds 1
1 . 216 . 1 1 14 GLY C C -7.712 1.087 1.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY C . . rr_1eds 1
1 . 217 . 1 1 14 GLY CA C -6.790 1.249 2.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY CA . . rr_1eds 1
1 . 218 . 1 1 14 GLY H H -7.143 2.329 4.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY H . . rr_1eds 1
1 . 219 . 1 1 14 GLY HA2 H -5.743 1.202 2.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY HA2 . . rr_1eds 1
1 . 220 . 1 1 14 GLY HA3 H -6.974 0.397 3.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY HA3 . . rr_1eds 1
1 . 221 . 1 1 14 GLY N N -7.049 2.454 3.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY N . . rr_1eds 1
1 . 222 . 1 1 14 GLY O O -8.848 0.657 1.582 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 GLY O . . rr_1eds 1
1 . 223 . 1 1 15 PRO C C -8.299 -0.126 -1.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO C . . rr_1eds 1
1 . 224 . 1 1 15 PRO CA C -8.098 1.323 -1.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CA . . rr_1eds 1
1 . 225 . 1 1 15 PRO CB C -7.438 2.227 -2.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CB . . rr_1eds 1
1 . 226 . 1 1 15 PRO CD C -5.987 1.997 -0.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CD . . rr_1eds 1
1 . 227 . 1 1 15 PRO CG C -6.310 2.941 -1.333 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CG . . rr_1eds 1
1 . 228 . 1 1 15 PRO HA H -9.074 1.747 -0.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HA . . rr_1eds 1
1 . 229 . 1 1 15 PRO HB2 H -7.011 1.668 -2.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HB2 . . rr_1eds 1
1 . 230 . 1 1 15 PRO HB3 H -8.153 2.949 -2.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HB3 . . rr_1eds 1
1 . 231 . 1 1 15 PRO HD2 H -5.317 1.215 -0.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HD2 . . rr_1eds 1
1 . 232 . 1 1 15 PRO HD3 H -5.507 2.550 0.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HD3 . . rr_1eds 1
1 . 233 . 1 1 15 PRO HG2 H -5.447 3.127 -1.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HG2 . . rr_1eds 1
1 . 234 . 1 1 15 PRO HG3 H -6.687 3.882 -0.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO HG3 . . rr_1eds 1
1 . 235 . 1 1 15 PRO N N -7.257 1.384 0.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO N . . rr_1eds 1
1 . 236 . 1 1 15 PRO O O -9.314 -0.744 -1.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO O . . rr_1eds 1
1 . 237 . 1 1 16 THR C C -7.168 -3.126 -1.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR C . . rr_1eds 1
1 . 238 . 1 1 16 THR CA C -7.493 -1.997 -2.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CA . . rr_1eds 1
1 . 239 . 1 1 16 THR CB C -6.598 -2.021 -4.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CB . . rr_1eds 1
1 . 240 . 1 1 16 THR CG2 C -7.061 -3.067 -5.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CG2 . . rr_1eds 1
1 . 241 . 1 1 16 THR H H -6.483 -0.208 -2.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR H . . rr_1eds 1
1 . 242 . 1 1 16 THR HA H -8.530 -2.105 -3.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HA . . rr_1eds 1
1 . 243 . 1 1 16 THR HB H -5.567 -2.238 -3.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HB . . rr_1eds 1
1 . 244 . 1 1 16 THR HG1 H -6.003 -0.760 -5.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG1 . . rr_1eds 1
1 . 245 . 1 1 16 THR HG21 H -8.074 -2.843 -5.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG21 . . rr_1eds 1
1 . 246 . 1 1 16 THR HG22 H -6.391 -3.060 -6.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG22 . . rr_1eds 1
1 . 247 . 1 1 16 THR HG23 H -7.039 -4.064 -4.719 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG23 . . rr_1eds 1
1 . 248 . 1 1 16 THR N N -7.343 -0.704 -2.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR N . . rr_1eds 1
1 . 249 . 1 1 16 THR O O -6.410 -4.044 -2.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR O . . rr_1eds 1
1 . 250 . 1 1 16 THR OG1 O -6.629 -0.752 -4.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR OG1 . . rr_1eds 1
1 . 251 . 1 1 17 GLY C C -6.006 -4.056 0.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY C . . rr_1eds 1
1 . 252 . 1 1 17 GLY CA C -7.495 -3.947 0.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY CA . . rr_1eds 1
1 . 253 . 1 1 17 GLY H H -8.392 -2.278 -0.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY H . . rr_1eds 1
1 . 254 . 1 1 17 GLY HA2 H -8.025 -3.569 1.291 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY HA2 . . rr_1eds 1
1 . 255 . 1 1 17 GLY HA3 H -7.892 -4.933 0.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY HA3 . . rr_1eds 1
1 . 256 . 1 1 17 GLY N N -7.737 -3.041 -0.694 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY N . . rr_1eds 1
1 . 257 . 1 1 17 GLY O O -5.511 -3.377 1.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLY O . . rr_1eds 1
1 . 258 . 1 1 18 CYS C C -3.058 -4.099 -0.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS C . . rr_1eds 1
1 . 259 . 1 1 18 CYS CA C -3.886 -5.191 0.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS CA . . rr_1eds 1
1 . 260 . 1 1 18 CYS CB C -3.554 -6.573 -0.367 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS CB . . rr_1eds 1
1 . 261 . 1 1 18 CYS H H -5.765 -5.278 -0.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS H . . rr_1eds 1
1 . 262 . 1 1 18 CYS HA H -3.647 -5.198 1.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS HA . . rr_1eds 1
1 . 263 . 1 1 18 CYS HB2 H -4.064 -7.346 0.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS HB2 . . rr_1eds 1
1 . 264 . 1 1 18 CYS HB3 H -3.841 -6.646 -1.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS HB3 . . rr_1eds 1
1 . 265 . 1 1 18 CYS HG H -1.728 -8.026 -0.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS HG . . rr_1eds 1
1 . 266 . 1 1 18 CYS N N -5.304 -4.926 0.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS N . . rr_1eds 1
1 . 267 . 1 1 18 CYS O O -2.308 -3.394 0.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS O . . rr_1eds 1
1 . 268 . 1 1 18 CYS SG S -1.771 -6.800 -0.226 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 CYS SG . . rr_1eds 1
1 . 269 . 1 1 19 ASN C C -1.139 -3.383 -3.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN C . . rr_1eds 1
1 . 270 . 1 1 19 ASN CA C -2.549 -2.932 -2.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN CA . . rr_1eds 1
1 . 271 . 1 1 19 ASN CB C -2.513 -1.514 -2.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN CB . . rr_1eds 1
1 . 272 . 1 1 19 ASN CG C -3.869 -1.027 -1.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN CG . . rr_1eds 1
1 . 273 . 1 1 19 ASN H H -3.954 -4.470 -2.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN H . . rr_1eds 1
1 . 274 . 1 1 19 ASN HA H -3.142 -2.850 -3.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN HA . . rr_1eds 1
1 . 275 . 1 1 19 ASN HB2 H -1.784 -1.448 -1.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN HB2 . . rr_1eds 1
1 . 276 . 1 1 19 ASN HB3 H -2.187 -0.830 -2.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN HB3 . . rr_1eds 1
1 . 277 . 1 1 19 ASN HD21 H -3.570 -1.882 0.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN HD21 . . rr_1eds 1
1 . 278 . 1 1 19 ASN HD22 H -5.110 -1.060 0.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN HD22 . . rr_1eds 1
1 . 279 . 1 1 19 ASN N N -3.240 -3.915 -1.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN N . . rr_1eds 1
1 . 280 . 1 1 19 ASN ND2 N -4.206 -1.317 -0.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN ND2 . . rr_1eds 1
1 . 281 . 1 1 19 ASN O O -0.344 -2.572 -3.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN O . . rr_1eds 1
1 . 282 . 1 1 19 ASN OD1 O -4.605 -0.376 -2.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASN OD1 . . rr_1eds 1
1 . 283 . 1 1 20 LEU C C 0.744 -5.084 -4.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU C . . rr_1eds 1
1 . 284 . 1 1 20 LEU CA C 0.498 -5.202 -3.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU CA . . rr_1eds 1
1 . 285 . 1 1 20 LEU CB C 0.638 -6.648 -2.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU CB . . rr_1eds 1
1 . 286 . 1 1 20 LEU CD1 C 2.382 -8.294 -2.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU CD1 . . rr_1eds 1
1 . 287 . 1 1 20 LEU CD2 C 1.863 -8.134 -4.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU CD2 . . rr_1eds 1
1 . 288 . 1 1 20 LEU CG C 1.967 -7.331 -3.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU CG . . rr_1eds 1
1 . 289 . 1 1 20 LEU H H -1.480 -5.290 -2.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU H . . rr_1eds 1
1 . 290 . 1 1 20 LEU HA H 1.262 -4.602 -2.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HA . . rr_1eds 1
1 . 291 . 1 1 20 LEU HB2 H 0.590 -6.595 -1.659 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HB2 . . rr_1eds 1
1 . 292 . 1 1 20 LEU HB3 H -0.199 -7.252 -3.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HB3 . . rr_1eds 1
1 . 293 . 1 1 20 LEU HD11 H 1.608 -9.049 -1.852 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD11 . . rr_1eds 1
1 . 294 . 1 1 20 LEU HD12 H 3.317 -8.789 -2.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD12 . . rr_1eds 1
1 . 295 . 1 1 20 LEU HD13 H 2.532 -7.746 -1.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD13 . . rr_1eds 1
1 . 296 . 1 1 20 LEU HD21 H 1.635 -7.490 -5.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD21 . . rr_1eds 1
1 . 297 . 1 1 20 LEU HD22 H 2.815 -8.627 -4.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD22 . . rr_1eds 1
1 . 298 . 1 1 20 LEU HD23 H 1.085 -8.893 -4.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HD23 . . rr_1eds 1
1 . 299 . 1 1 20 LEU HG H 2.752 -6.583 -3.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU HG . . rr_1eds 1
1 . 300 . 1 1 20 LEU N N -0.804 -4.665 -2.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU N . . rr_1eds 1
1 . 301 . 1 1 20 LEU O O 1.832 -4.684 -5.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LEU O . . rr_1eds 1
1 . 302 . 1 1 21 GLU C C 0.092 -3.938 -7.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU C . . rr_1eds 1
1 . 303 . 1 1 21 GLU CA C -0.138 -5.384 -7.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU CA . . rr_1eds 1
1 . 304 . 1 1 21 GLU CB C -1.374 -6.019 -7.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU CB . . rr_1eds 1
1 . 305 . 1 1 21 GLU CD C -3.230 -4.869 -6.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU CD . . rr_1eds 1
1 . 306 . 1 1 21 GLU CG C -2.645 -6.188 -6.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU CG . . rr_1eds 1
1 . 307 . 1 1 21 GLU H H -1.188 -5.443 -5.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU H . . rr_1eds 1
1 . 308 . 1 1 21 GLU HA H 0.740 -5.956 -7.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU HA . . rr_1eds 1
1 . 309 . 1 1 21 GLU HB2 H -1.632 -5.439 -8.576 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU HB2 . . rr_1eds 1
1 . 310 . 1 1 21 GLU HB3 H -1.087 -7.017 -8.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU HB3 . . rr_1eds 1
1 . 311 . 1 1 21 GLU HG2 H -3.403 -6.675 -7.444 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU HG2 . . rr_1eds 1
1 . 312 . 1 1 21 GLU HG3 H -2.450 -6.838 -5.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU HG3 . . rr_1eds 1
1 . 313 . 1 1 21 GLU N N -0.244 -5.439 -5.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU N . . rr_1eds 1
1 . 314 . 1 1 21 GLU O O 0.970 -3.664 -8.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU O . . rr_1eds 1
1 . 315 . 1 1 21 GLU OE1 O -2.607 -4.300 -5.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU OE1 . . rr_1eds 1
1 . 316 . 1 1 21 GLU OE2 O -4.257 -4.439 -6.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 GLU OE2 . . rr_1eds 1
1 . 317 . 1 1 22 GLY C C 0.722 -1.000 -6.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY C . . rr_1eds 1
1 . 318 . 1 1 22 GLY CA C -0.608 -1.609 -7.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY CA . . rr_1eds 1
1 . 319 . 1 1 22 GLY H H -1.412 -3.327 -6.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY H . . rr_1eds 1
1 . 320 . 1 1 22 GLY HA2 H -0.720 -1.498 -8.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY HA2 . . rr_1eds 1
1 . 321 . 1 1 22 GLY HA3 H -1.424 -1.076 -6.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY HA3 . . rr_1eds 1
1 . 322 . 1 1 22 GLY N N -0.695 -3.013 -6.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY N . . rr_1eds 1
1 . 323 . 1 1 22 GLY O O 1.410 -0.365 -7.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 GLY O . . rr_1eds 1
1 . 324 . 1 1 23 PHE C C 3.313 -1.091 -4.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE C . . rr_1eds 1
1 . 325 . 1 1 23 PHE CA C 2.046 -0.319 -4.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CA . . rr_1eds 1
1 . 326 . 1 1 23 PHE CB C 1.431 0.338 -3.613 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CB . . rr_1eds 1
1 . 327 . 1 1 23 PHE CD1 C -0.767 1.212 -4.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CD1 . . rr_1eds 1
1 . 328 . 1 1 23 PHE CD2 C 0.878 2.810 -3.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CD2 . . rr_1eds 1
1 . 329 . 1 1 23 PHE CE1 C -1.602 2.271 -4.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CE1 . . rr_1eds 1
1 . 330 . 1 1 23 PHE CE2 C 0.040 3.869 -4.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CE2 . . rr_1eds 1
1 . 331 . 1 1 23 PHE CG C 0.480 1.477 -3.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CG . . rr_1eds 1
1 . 332 . 1 1 23 PHE CZ C -1.199 3.600 -4.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE CZ . . rr_1eds 1
1 . 333 . 1 1 23 PHE H H 0.464 -1.740 -4.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE H . . rr_1eds 1
1 . 334 . 1 1 23 PHE HA H 2.355 0.497 -5.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HA . . rr_1eds 1
1 . 335 . 1 1 23 PHE HB2 H 0.910 -0.411 -3.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HB2 . . rr_1eds 1
1 . 336 . 1 1 23 PHE HB3 H 2.246 0.731 -3.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HB3 . . rr_1eds 1
1 . 337 . 1 1 23 PHE HD1 H -1.095 0.195 -4.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HD1 . . rr_1eds 1
1 . 338 . 1 1 23 PHE HD2 H 1.832 3.029 -3.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HD2 . . rr_1eds 1
1 . 339 . 1 1 23 PHE HE1 H -2.557 2.062 -5.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HE1 . . rr_1eds 1
1 . 340 . 1 1 23 PHE HE2 H 0.351 4.891 -3.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HE2 . . rr_1eds 1
1 . 341 . 1 1 23 PHE HZ H -1.841 4.415 -5.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE HZ . . rr_1eds 1
1 . 342 . 1 1 23 PHE N N 1.052 -1.148 -5.529 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE N . . rr_1eds 1
1 . 343 . 1 1 23 PHE O O 4.403 -0.655 -4.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 PHE O . . rr_1eds 1
1 . 344 . 1 1 24 PHE C C 5.239 -3.519 -4.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE C . . rr_1eds 1
1 . 345 . 1 1 24 PHE CA C 4.426 -2.782 -3.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CA . . rr_1eds 1
1 . 346 . 1 1 24 PHE CB C 4.084 -3.678 -1.970 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CB . . rr_1eds 1
1 . 347 . 1 1 24 PHE CD1 C 2.831 -1.743 -0.871 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CD1 . . rr_1eds 1
1 . 348 . 1 1 24 PHE CD2 C 2.130 -4.022 -0.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CD2 . . rr_1eds 1
1 . 349 . 1 1 24 PHE CE1 C 1.626 -1.258 -0.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CE1 . . rr_1eds 1
1 . 350 . 1 1 24 PHE CE2 C 0.937 -3.538 0.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CE2 . . rr_1eds 1
1 . 351 . 1 1 24 PHE CG C 3.032 -3.132 -1.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CG . . rr_1eds 1
1 . 352 . 1 1 24 PHE CZ C 0.664 -2.160 0.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE CZ . . rr_1eds 1
1 . 353 . 1 1 24 PHE H H 2.308 -2.538 -3.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE H . . rr_1eds 1
1 . 354 . 1 1 24 PHE HA H 5.061 -1.978 -2.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HA . . rr_1eds 1
1 . 355 . 1 1 24 PHE HB2 H 3.734 -4.632 -2.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HB2 . . rr_1eds 1
1 . 356 . 1 1 24 PHE HB3 H 5.002 -3.867 -1.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HB3 . . rr_1eds 1
1 . 357 . 1 1 24 PHE HD1 H 3.565 -1.041 -1.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HD1 . . rr_1eds 1
1 . 358 . 1 1 24 PHE HD2 H 2.313 -5.086 -0.420 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HD2 . . rr_1eds 1
1 . 359 . 1 1 24 PHE HE1 H 1.427 -0.196 -0.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HE1 . . rr_1eds 1
1 . 360 . 1 1 24 PHE HE2 H 0.206 -4.227 0.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HE2 . . rr_1eds 1
1 . 361 . 1 1 24 PHE HZ H -0.289 -1.805 0.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE HZ . . rr_1eds 1
1 . 362 . 1 1 24 PHE N N 3.218 -2.190 -3.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE N . . rr_1eds 1
1 . 363 . 1 1 24 PHE O O 6.469 -3.527 -4.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 PHE O . . rr_1eds 1
1 . 364 . 1 1 25 ALA C C 5.978 -3.706 -7.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA C . . rr_1eds 1
1 . 365 . 1 1 25 ALA CA C 5.165 -4.747 -6.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA CA . . rr_1eds 1
1 . 366 . 1 1 25 ALA CB C 4.094 -5.375 -7.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA CB . . rr_1eds 1
1 . 367 . 1 1 25 ALA H H 3.533 -4.107 -5.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA H . . rr_1eds 1
1 . 368 . 1 1 25 ALA HA H 5.837 -5.538 -6.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HA . . rr_1eds 1
1 . 369 . 1 1 25 ALA HB1 H 4.569 -5.829 -8.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB1 . . rr_1eds 1
1 . 370 . 1 1 25 ALA HB2 H 3.556 -6.147 -6.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB2 . . rr_1eds 1
1 . 371 . 1 1 25 ALA HB3 H 3.390 -4.615 -7.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA HB3 . . rr_1eds 1
1 . 372 . 1 1 25 ALA N N 4.545 -4.132 -5.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA N . . rr_1eds 1
1 . 373 . 1 1 25 ALA O O 7.137 -3.943 -7.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ALA O . . rr_1eds 1
1 . 374 . 1 1 26 THR C C 7.091 -0.822 -7.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR C . . rr_1eds 1
1 . 375 . 1 1 26 THR CA C 6.060 -1.484 -8.144 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR CA . . rr_1eds 1
1 . 376 . 1 1 26 THR CB C 4.986 -0.512 -8.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR CB . . rr_1eds 1
1 . 377 . 1 1 26 THR CG2 C 4.156 -1.159 -9.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR CG2 . . rr_1eds 1
1 . 378 . 1 1 26 THR H H 4.453 -2.346 -7.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR H . . rr_1eds 1
1 . 379 . 1 1 26 THR HA H 6.595 -1.894 -9.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HA . . rr_1eds 1
1 . 380 . 1 1 26 THR HB H 5.461 0.389 -9.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HB . . rr_1eds 1
1 . 381 . 1 1 26 THR HG1 H 3.208 -0.123 -7.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HG1 . . rr_1eds 1
1 . 382 . 1 1 26 THR HG21 H 3.638 -2.045 -9.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HG21 . . rr_1eds 1
1 . 383 . 1 1 26 THR HG22 H 3.417 -0.447 -10.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HG22 . . rr_1eds 1
1 . 384 . 1 1 26 THR HG23 H 4.810 -1.445 -10.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR HG23 . . rr_1eds 1
1 . 385 . 1 1 26 THR N N 5.387 -2.548 -7.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR N . . rr_1eds 1
1 . 386 . 1 1 26 THR O O 8.295 -1.032 -7.367 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR O . . rr_1eds 1
1 . 387 . 1 1 26 THR OG1 O 4.125 -0.184 -7.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 THR OG1 . . rr_1eds 1
1 . 388 . 1 1 27 LEU C C 7.950 -0.393 -4.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU C . . rr_1eds 1
1 . 389 . 1 1 27 LEU CA C 7.451 0.627 -5.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU CA . . rr_1eds 1
1 . 390 . 1 1 27 LEU CB C 6.683 1.773 -4.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU CB . . rr_1eds 1
1 . 391 . 1 1 27 LEU CD1 C 5.377 2.743 -6.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU CD1 . . rr_1eds 1
1 . 392 . 1 1 27 LEU CD2 C 5.871 4.132 -4.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU CD2 . . rr_1eds 1
1 . 393 . 1 1 27 LEU CG C 6.402 3.008 -5.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU CG . . rr_1eds 1
1 . 394 . 1 1 27 LEU H H 5.608 -0.019 -6.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU H . . rr_1eds 1
1 . 395 . 1 1 27 LEU HA H 8.323 1.060 -5.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HA . . rr_1eds 1
1 . 396 . 1 1 27 LEU HB2 H 5.748 1.400 -4.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HB2 . . rr_1eds 1
1 . 397 . 1 1 27 LEU HB3 H 7.303 2.117 -3.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HB3 . . rr_1eds 1
1 . 398 . 1 1 27 LEU HD11 H 4.493 2.254 -6.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD11 . . rr_1eds 1
1 . 399 . 1 1 27 LEU HD12 H 5.079 3.685 -7.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD12 . . rr_1eds 1
1 . 400 . 1 1 27 LEU HD13 H 5.815 2.118 -7.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD13 . . rr_1eds 1
1 . 401 . 1 1 27 LEU HD21 H 6.600 4.367 -3.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD21 . . rr_1eds 1
1 . 402 . 1 1 27 LEU HD22 H 5.694 5.030 -5.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD22 . . rr_1eds 1
1 . 403 . 1 1 27 LEU HD23 H 4.936 3.824 -4.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HD23 . . rr_1eds 1
1 . 404 . 1 1 27 LEU HG H 7.335 3.347 -5.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU HG . . rr_1eds 1
1 . 405 . 1 1 27 LEU N N 6.621 -0.049 -6.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU N . . rr_1eds 1
1 . 406 . 1 1 27 LEU O O 7.581 -0.339 -3.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 LEU O . . rr_1eds 1
1 . 407 . 1 1 28 GLY C C 9.996 -3.446 -4.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY C . . rr_1eds 1
1 . 408 . 1 1 28 GLY CA C 9.462 -2.271 -3.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY CA . . rr_1eds 1
1 . 409 . 1 1 28 GLY H H 9.033 -1.327 -5.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY H . . rr_1eds 1
1 . 410 . 1 1 28 GLY HA2 H 10.287 -1.783 -3.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY HA2 . . rr_1eds 1
1 . 411 . 1 1 28 GLY HA3 H 8.756 -2.648 -3.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY HA3 . . rr_1eds 1
1 . 412 . 1 1 28 GLY N N 8.819 -1.307 -4.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY N . . rr_1eds 1
1 . 413 . 1 1 28 GLY O O 11.205 -3.648 -4.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY O . . rr_1eds 1
1 . 414 . 1 1 29 GLY C C 10.250 -5.020 -7.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY C . . rr_1eds 1
1 . 415 . 1 1 29 GLY CA C 9.460 -5.392 -5.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY CA . . rr_1eds 1
1 . 416 . 1 1 29 GLY H H 8.108 -3.991 -5.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY H . . rr_1eds 1
1 . 417 . 1 1 29 GLY HA2 H 10.057 -6.068 -5.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY HA2 . . rr_1eds 1
1 . 418 . 1 1 29 GLY HA3 H 8.552 -5.914 -6.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY HA3 . . rr_1eds 1
1 . 419 . 1 1 29 GLY N N 9.092 -4.223 -5.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY N . . rr_1eds 1
1 . 420 . 1 1 29 GLY O O 11.231 -5.686 -7.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 GLY O . . rr_1eds 1
1 . 421 . 1 1 30 GLU C C 9.364 -4.636 -10.249 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU C . . rr_1eds 1
1 . 422 . 1 1 30 GLU CA C 10.086 -3.648 -9.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU CA . . rr_1eds 1
1 . 423 . 1 1 30 GLU CB C 11.600 -3.503 -9.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU CB . . rr_1eds 1
1 . 424 . 1 1 30 GLU CD C 11.256 -1.605 -11.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU CD . . rr_1eds 1
1 . 425 . 1 1 30 GLU CG C 11.957 -2.925 -10.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU CG . . rr_1eds 1
1 . 426 . 1 1 30 GLU H H 8.934 -3.562 -7.575 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU H . . rr_1eds 1
1 . 427 . 1 1 30 GLU HA H 9.620 -2.673 -9.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU HA . . rr_1eds 1
1 . 428 . 1 1 30 GLU HB2 H 12.013 -2.836 -8.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU HB2 . . rr_1eds 1
1 . 429 . 1 1 30 GLU HB3 H 12.085 -4.475 -9.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU HB3 . . rr_1eds 1
1 . 430 . 1 1 30 GLU HG2 H 13.033 -2.761 -11.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU HG2 . . rr_1eds 1
1 . 431 . 1 1 30 GLU HG3 H 11.697 -3.641 -11.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU HG3 . . rr_1eds 1
1 . 432 . 1 1 30 GLU N N 9.790 -3.975 -7.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU N . . rr_1eds 1
1 . 433 . 1 1 30 GLU O O 9.018 -5.745 -9.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU O . . rr_1eds 1
1 . 434 . 1 1 30 GLU OE1 O 10.095 -1.682 -11.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU OE1 . . rr_1eds 1
1 . 435 . 1 1 30 GLU OE2 O 11.880 -0.554 -10.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLU OE2 . . rr_1eds 1
1 . 436 . 1 1 31 ILE C C 9.073 -5.137 -13.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE C . . rr_1eds 1
1 . 437 . 1 1 31 ILE CA C 8.285 -4.948 -12.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE CA . . rr_1eds 1
1 . 438 . 1 1 31 ILE CB C 6.920 -4.258 -12.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE CB . . rr_1eds 1
1 . 439 . 1 1 31 ILE CD1 C 5.791 -2.205 -13.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE CD1 . . rr_1eds 1
1 . 440 . 1 1 31 ILE CG1 C 7.087 -2.793 -13.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE CG1 . . rr_1eds 1
1 . 441 . 1 1 31 ILE CG2 C 6.092 -4.345 -11.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE CG2 . . rr_1eds 1
1 . 442 . 1 1 31 ILE H H 9.432 -3.287 -11.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE H . . rr_1eds 1
1 . 443 . 1 1 31 ILE HA H 8.093 -5.958 -12.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HA . . rr_1eds 1
1 . 444 . 1 1 31 ILE HB H 6.376 -4.804 -13.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HB . . rr_1eds 1
1 . 445 . 1 1 31 ILE HD11 H 5.014 -2.172 -12.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HD11 . . rr_1eds 1
1 . 446 . 1 1 31 ILE HD12 H 5.983 -1.190 -14.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HD12 . . rr_1eds 1
1 . 447 . 1 1 31 ILE HD13 H 5.448 -2.810 -14.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HD13 . . rr_1eds 1
1 . 448 . 1 1 31 ILE HG12 H 7.421 -2.180 -12.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HG12 . . rr_1eds 1
1 . 449 . 1 1 31 ILE HG13 H 7.840 -2.737 -13.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HG13 . . rr_1eds 1
1 . 450 . 1 1 31 ILE HG21 H 6.548 -3.747 -10.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HG21 . . rr_1eds 1
1 . 451 . 1 1 31 ILE HG22 H 5.078 -3.989 -11.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HG22 . . rr_1eds 1
1 . 452 . 1 1 31 ILE HG23 H 6.038 -5.382 -11.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE HG23 . . rr_1eds 1
1 . 453 . 1 1 31 ILE N N 9.069 -4.202 -11.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE N . . rr_1eds 1
1 . 454 . 1 1 31 ILE O O 8.417 -5.262 -14.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE O . . rr_1eds 1
1 . 455 . 1 1 31 ILE OXT O 10.320 -5.190 -13.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ILE OXT . . rr_1eds 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_1eds
_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 1eds.mr . $. "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1eds 1
1 1eds.mr . $. SYBYL 2 distance NOE simple 0 rr_1eds 1
1 1eds.mr . $. "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1eds 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_1eds
_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 1EDS *TITLE SOLUTION STRUCTURE OF INTRADISKAL LOOP 1 OF BOVINE *TITLE 2 RHODOPSIN (RHODOPSIN RESIDUES 92-123) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RHODOPSIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: FIRST INTRADISKAL LOOP (RESIDUES 93-123); *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: BOVINE SEQUENCE *KEYWDS HELIX-TURN-HELIX *EXPDTA NMR *AUTHOR P.L.YEAGLE, A.SALLOUM, A.CHOPRA, N.BHAWSAR, L.ALI *REVDAT 1 09-AUG-00 1EDS 0 "
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:51:38 PM GMT (wattos1)