NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
395486 |
1rws   |
6187 | cing | 3-converted-DOCR | STAR | entry | full | 488 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1rws
# This DOCR archive file contains, for PDB entry <1rws>:
#
# - 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_1rws
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1rws"
_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 1rws"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1rws
_Assembly.ID 1
_Assembly.Name 1rws
_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 8581.7353
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 "hypothetical protein PF1061" 1 $hypothetical_protein_PF1061 A . no . . . . . . rr_1rws 1
stop_
save_
save_hypothetical_protein_PF1061
_Entity.Sf_category entity
_Entity.Sf_framecode hypothetical_protein_PF1061
_Entity.Entry_ID rr_1rws
_Entity.ID 1
_Entity.Name hypothetical_protein_PF1061
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;AHHHHHHGSKMIKVKVIGRN
IEKEIEWREGMKVRDILRAV
GFNTESAIAKVNGKVVLEDD
EVKDGDFVEVIPVVSGG
;
_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 77
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 8581.7353
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 . ALA . rr_1rws 1
2 . HIS . rr_1rws 1
3 . HIS . rr_1rws 1
4 . HIS . rr_1rws 1
5 . HIS . rr_1rws 1
6 . HIS . rr_1rws 1
7 . HIS . rr_1rws 1
8 . GLY . rr_1rws 1
9 . SER . rr_1rws 1
10 . LYS . rr_1rws 1
11 . MET . rr_1rws 1
12 . ILE . rr_1rws 1
13 . LYS . rr_1rws 1
14 . VAL . rr_1rws 1
15 . LYS . rr_1rws 1
16 . VAL . rr_1rws 1
17 . ILE . rr_1rws 1
18 . GLY . rr_1rws 1
19 . ARG . rr_1rws 1
20 . ASN . rr_1rws 1
21 . ILE . rr_1rws 1
22 . GLU . rr_1rws 1
23 . LYS . rr_1rws 1
24 . GLU . rr_1rws 1
25 . ILE . rr_1rws 1
26 . GLU . rr_1rws 1
27 . TRP . rr_1rws 1
28 . ARG . rr_1rws 1
29 . GLU . rr_1rws 1
30 . GLY . rr_1rws 1
31 . MET . rr_1rws 1
32 . LYS . rr_1rws 1
33 . VAL . rr_1rws 1
34 . ARG . rr_1rws 1
35 . ASP . rr_1rws 1
36 . ILE . rr_1rws 1
37 . LEU . rr_1rws 1
38 . ARG . rr_1rws 1
39 . ALA . rr_1rws 1
40 . VAL . rr_1rws 1
41 . GLY . rr_1rws 1
42 . PHE . rr_1rws 1
43 . ASN . rr_1rws 1
44 . THR . rr_1rws 1
45 . GLU . rr_1rws 1
46 . SER . rr_1rws 1
47 . ALA . rr_1rws 1
48 . ILE . rr_1rws 1
49 . ALA . rr_1rws 1
50 . LYS . rr_1rws 1
51 . VAL . rr_1rws 1
52 . ASN . rr_1rws 1
53 . GLY . rr_1rws 1
54 . LYS . rr_1rws 1
55 . VAL . rr_1rws 1
56 . VAL . rr_1rws 1
57 . LEU . rr_1rws 1
58 . GLU . rr_1rws 1
59 . ASP . rr_1rws 1
60 . ASP . rr_1rws 1
61 . GLU . rr_1rws 1
62 . VAL . rr_1rws 1
63 . LYS . rr_1rws 1
64 . ASP . rr_1rws 1
65 . GLY . rr_1rws 1
66 . ASP . rr_1rws 1
67 . PHE . rr_1rws 1
68 . VAL . rr_1rws 1
69 . GLU . rr_1rws 1
70 . VAL . rr_1rws 1
71 . ILE . rr_1rws 1
72 . PRO . rr_1rws 1
73 . VAL . rr_1rws 1
74 . VAL . rr_1rws 1
75 . SER . rr_1rws 1
76 . GLY . rr_1rws 1
77 . GLY . rr_1rws 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
. ALA 1 1 rr_1rws 1
. HIS 2 2 rr_1rws 1
. HIS 3 3 rr_1rws 1
. HIS 4 4 rr_1rws 1
. HIS 5 5 rr_1rws 1
. HIS 6 6 rr_1rws 1
. HIS 7 7 rr_1rws 1
. GLY 8 8 rr_1rws 1
. SER 9 9 rr_1rws 1
. LYS 10 10 rr_1rws 1
. MET 11 11 rr_1rws 1
. ILE 12 12 rr_1rws 1
. LYS 13 13 rr_1rws 1
. VAL 14 14 rr_1rws 1
. LYS 15 15 rr_1rws 1
. VAL 16 16 rr_1rws 1
. ILE 17 17 rr_1rws 1
. GLY 18 18 rr_1rws 1
. ARG 19 19 rr_1rws 1
. ASN 20 20 rr_1rws 1
. ILE 21 21 rr_1rws 1
. GLU 22 22 rr_1rws 1
. LYS 23 23 rr_1rws 1
. GLU 24 24 rr_1rws 1
. ILE 25 25 rr_1rws 1
. GLU 26 26 rr_1rws 1
. TRP 27 27 rr_1rws 1
. ARG 28 28 rr_1rws 1
. GLU 29 29 rr_1rws 1
. GLY 30 30 rr_1rws 1
. MET 31 31 rr_1rws 1
. LYS 32 32 rr_1rws 1
. VAL 33 33 rr_1rws 1
. ARG 34 34 rr_1rws 1
. ASP 35 35 rr_1rws 1
. ILE 36 36 rr_1rws 1
. LEU 37 37 rr_1rws 1
. ARG 38 38 rr_1rws 1
. ALA 39 39 rr_1rws 1
. VAL 40 40 rr_1rws 1
. GLY 41 41 rr_1rws 1
. PHE 42 42 rr_1rws 1
. ASN 43 43 rr_1rws 1
. THR 44 44 rr_1rws 1
. GLU 45 45 rr_1rws 1
. SER 46 46 rr_1rws 1
. ALA 47 47 rr_1rws 1
. ILE 48 48 rr_1rws 1
. ALA 49 49 rr_1rws 1
. LYS 50 50 rr_1rws 1
. VAL 51 51 rr_1rws 1
. ASN 52 52 rr_1rws 1
. GLY 53 53 rr_1rws 1
. LYS 54 54 rr_1rws 1
. VAL 55 55 rr_1rws 1
. VAL 56 56 rr_1rws 1
. LEU 57 57 rr_1rws 1
. GLU 58 58 rr_1rws 1
. ASP 59 59 rr_1rws 1
. ASP 60 60 rr_1rws 1
. GLU 61 61 rr_1rws 1
. VAL 62 62 rr_1rws 1
. LYS 63 63 rr_1rws 1
. ASP 64 64 rr_1rws 1
. GLY 65 65 rr_1rws 1
. ASP 66 66 rr_1rws 1
. PHE 67 67 rr_1rws 1
. VAL 68 68 rr_1rws 1
. GLU 69 69 rr_1rws 1
. VAL 70 70 rr_1rws 1
. ILE 71 71 rr_1rws 1
. PRO 72 72 rr_1rws 1
. VAL 73 73 rr_1rws 1
. VAL 74 74 rr_1rws 1
. SER 75 75 rr_1rws 1
. GLY 76 76 rr_1rws 1
. GLY 77 77 rr_1rws 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_1rws
_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_1rws
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_1rws 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_1rws 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 10 LYS C C -0.609 -1.737 -1.229 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_1rws 1
. 1 . 2 . 1 1 10 LYS CA C -0.004 -2.717 -0.233 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 3 . 1 1 10 LYS CB C 0.306 -4.000 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 4 . 1 1 10 LYS H H -0.461 -3.223 1.734 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_1rws 1
. 1 . 5 . 1 1 10 LYS HA H 0.903 -2.269 0.175 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 6 . 1 1 10 LYS N N -0.977 -2.995 0.861 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_1rws 1
. 1 . 7 . 1 1 10 LYS O O -1.626 -1.978 -1.850 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_1rws 1
. 1 . 8 . 1 1 11 MET C C 0.577 0.633 -3.380 . . . 1.0 . . . . . . . . . . . . A . 3 MET C . . . . . . . . . rr_1rws 1
. 1 . 9 . 1 1 11 MET CA C -0.446 0.451 -2.260 . . . 1.0 . . . . . . . . . . . . A . 3 MET CA . . . . . . . . . rr_1rws 1
. 1 . 10 . 1 1 11 MET CB C -0.587 1.760 -1.481 . . . 1.0 . . . . . . . . . . . . A . 3 MET CB . . . . . . . . . rr_1rws 1
. 1 . 11 . 1 1 11 MET H H 0.903 -0.527 -0.930 . . . 1.0 . . . . . . . . . . . . A . 3 MET H . . . . . . . . . rr_1rws 1
. 1 . 12 . 1 1 11 MET HA H -1.405 0.172 -2.671 . . . 1.0 . . . . . . . . . . . . A . 3 MET HA . . . . . . . . . rr_1rws 1
. 1 . 13 . 1 1 11 MET N N 0.032 -0.617 -1.346 . . . 1.0 . . . . . . . . . . . . A . 3 MET N . . . . . . . . . rr_1rws 1
. 1 . 14 . 1 1 11 MET O O 1.707 0.198 -3.291 . . . 1.0 . . . . . . . . . . . . A . 3 MET O . . . . . . . . . rr_1rws 1
. 1 . 15 . 1 1 12 ILE C C 1.333 2.753 -5.986 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_1rws 1
. 1 . 16 . 1 1 12 ILE CA C 1.022 1.290 -5.669 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 17 . 1 1 12 ILE CB C 0.294 0.678 -6.868 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 18 . 1 1 12 ILE H H -0.816 1.398 -4.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_1rws 1
. 1 . 19 . 1 1 12 ILE HA H 1.959 0.768 -5.534 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 20 . 1 1 12 ILE N N 0.138 1.178 -4.474 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_1rws 1
. 1 . 21 . 1 1 12 ILE O O 0.686 3.670 -5.520 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_1rws 1
. 1 . 22 . 1 1 13 LYS C C 3.036 4.197 -8.734 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1rws 1
. 1 . 23 . 1 1 13 LYS CA C 2.762 4.311 -7.251 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 24 . 1 1 13 LYS CB C 4.058 4.683 -6.526 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 25 . 1 1 13 LYS H H 2.949 2.215 -6.998 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1rws 1
. 1 . 26 . 1 1 13 LYS HA H 2.030 5.098 -7.098 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 27 . 1 1 13 LYS N N 2.331 2.951 -6.811 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1rws 1
. 1 . 28 . 1 1 13 LYS O O 3.424 3.164 -9.228 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1rws 1
. 1 . 29 . 1 1 14 VAL C C 3.491 6.400 -11.492 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . rr_1rws 1
. 1 . 30 . 1 1 14 VAL CA C 2.775 5.160 -10.942 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 31 . 1 1 14 VAL CB C 1.368 5.074 -11.535 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 32 . 1 1 14 VAL H H 2.204 5.941 -9.061 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . rr_1rws 1
. 1 . 33 . 1 1 14 VAL HA H 3.328 4.287 -11.204 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 34 . 1 1 14 VAL N N 2.688 5.215 -9.454 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . rr_1rws 1
. 1 . 35 . 1 1 14 VAL O O 3.226 7.513 -11.086 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . rr_1rws 1
. 1 . 36 . 1 1 15 LYS C C 5.251 7.114 -14.568 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1rws 1
. 1 . 37 . 1 1 15 LYS CA C 5.074 7.375 -13.072 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 38 . 1 1 15 LYS CB C 6.461 7.536 -12.444 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 39 . 1 1 15 LYS H H 4.612 5.303 -12.698 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1rws 1
. 1 . 40 . 1 1 15 LYS HA H 4.471 8.263 -12.949 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 41 . 1 1 15 LYS N N 4.369 6.216 -12.449 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1rws 1
. 1 . 42 . 1 1 15 LYS O O 5.160 5.995 -15.025 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1rws 1
. 1 . 43 . 1 1 16 VAL C C 6.930 7.805 -17.242 . . . 1.0 . . . . . . . . . . . . A . 8 VAL C . . . . . . . . . rr_1rws 1
. 1 . 44 . 1 1 16 VAL CA C 5.488 7.982 -16.836 . . . 1.0 . . . . . . . . . . . . A . 8 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 45 . 1 1 16 VAL CB C 4.816 9.131 -17.589 . . . 1.0 . . . . . . . . . . . . A . 8 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 46 . 1 1 16 VAL H H 5.286 9.022 -14.993 . . . 1.0 . . . . . . . . . . . . A . 8 VAL H . . . . . . . . . rr_1rws 1
. 1 . 47 . 1 1 16 VAL HA H 5.013 7.062 -17.025 . . . 1.0 . . . . . . . . . . . . A . 8 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 48 . 1 1 16 VAL N N 5.385 8.146 -15.361 . . . 1.0 . . . . . . . . . . . . A . 8 VAL N . . . . . . . . . rr_1rws 1
. 1 . 49 . 1 1 16 VAL O O 7.812 8.285 -16.560 . . . 1.0 . . . . . . . . . . . . A . 8 VAL O . . . . . . . . . rr_1rws 1
. 1 . 50 . 1 1 17 ILE C C 9.462 7.347 -17.514 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1rws 1
. 1 . 51 . 1 1 17 ILE CA C 8.538 6.232 -18.028 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 52 . 1 1 17 ILE CB C 8.945 5.808 -19.437 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 53 . 1 1 17 ILE H H 6.356 6.352 -18.520 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1rws 1
. 1 . 54 . 1 1 17 ILE HA H 8.650 5.411 -17.332 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 55 . 1 1 17 ILE N N 7.135 6.775 -18.020 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1rws 1
. 1 . 56 . 1 1 17 ILE O O 9.417 8.444 -18.035 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1rws 1
. 1 . 57 . 1 1 18 GLY C C 10.561 9.531 -16.236 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_1rws 1
. 1 . 58 . 1 1 18 GLY CA C 11.310 8.199 -16.230 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 59 . 1 1 18 GLY H H 10.400 6.272 -16.034 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_1rws 1
. 1 . 60 . 1 1 18 GLY HA2 H 11.715 8.017 -15.245 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 61 . 1 1 18 GLY HA3 H 12.114 8.241 -16.946 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 62 . 1 1 18 GLY N N 10.377 7.094 -16.595 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_1rws 1
. 1 . 63 . 1 1 18 GLY O O 10.978 10.497 -16.844 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_1rws 1
. 1 . 64 . 1 1 19 ARG C C 8.925 11.532 -14.090 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_1rws 1
. 1 . 65 . 1 1 19 ARG CA C 8.684 10.849 -15.435 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_1rws 1
. 1 . 66 . 1 1 19 ARG CB C 7.195 10.527 -15.571 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_1rws 1
. 1 . 67 . 1 1 19 ARG H H 9.215 8.799 -15.007 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_1rws 1
. 1 . 68 . 1 1 19 ARG HA H 8.974 11.518 -16.229 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_1rws 1
. 1 . 69 . 1 1 19 ARG N N 9.472 9.587 -15.529 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_1rws 1
. 1 . 70 . 1 1 19 ARG O O 8.636 12.701 -13.926 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_1rws 1
. 1 . 71 . 1 1 20 ASN C C 8.723 11.334 -10.837 . . . 1.0 . . . . . . . . . . . . A . 12 ASN C . . . . . . . . . rr_1rws 1
. 1 . 72 . 1 1 20 ASN CA C 9.865 11.453 -11.837 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CA . . . . . . . . . rr_1rws 1
. 1 . 73 . 1 1 20 ASN CB C 10.193 12.933 -12.042 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CB . . . . . . . . . rr_1rws 1
. 1 . 74 . 1 1 20 ASN H H 9.896 9.972 -13.316 . . . 1.0 . . . . . . . . . . . . A . 12 ASN H . . . . . . . . . rr_1rws 1
. 1 . 75 . 1 1 20 ASN HA H 10.765 10.932 -11.566 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HA . . . . . . . . . rr_1rws 1
. 1 . 76 . 1 1 20 ASN N N 9.515 10.850 -13.144 . . . 1.0 . . . . . . . . . . . . A . 12 ASN N . . . . . . . . . rr_1rws 1
. 1 . 77 . 1 1 20 ASN O O 8.252 12.332 -10.330 . . . 1.0 . . . . . . . . . . . . A . 12 ASN O . . . . . . . . . rr_1rws 1
. 1 . 78 . 1 1 21 ILE C C 7.211 9.170 -8.520 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . rr_1rws 1
. 1 . 79 . 1 1 21 ILE CA C 7.019 10.112 -9.704 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 80 . 1 1 21 ILE CB C 5.735 9.772 -10.463 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 81 . 1 1 21 ILE H H 8.581 9.363 -11.027 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . rr_1rws 1
. 1 . 82 . 1 1 21 ILE HA H 6.911 11.098 -9.285 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 83 . 1 1 21 ILE N N 8.205 10.164 -10.607 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . rr_1rws 1
. 1 . 84 . 1 1 21 ILE O O 6.869 8.004 -8.526 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . rr_1rws 1
. 1 . 85 . 1 1 22 GLU C C 6.766 9.355 -5.204 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1rws 1
. 1 . 86 . 1 1 22 GLU CA C 7.949 9.142 -6.139 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 87 . 1 1 22 GLU CB C 9.166 9.830 -5.518 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 88 . 1 1 22 GLU H H 8.021 10.677 -7.595 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1rws 1
. 1 . 89 . 1 1 22 GLU HA H 8.155 8.094 -6.187 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 90 . 1 1 22 GLU N N 7.706 9.767 -7.478 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1rws 1
. 1 . 91 . 1 1 22 GLU O O 6.262 10.451 -5.061 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1rws 1
. 1 . 92 . 1 1 23 LYS C C 5.396 7.244 -2.582 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_1rws 1
. 1 . 93 . 1 1 23 LYS CA C 5.280 8.460 -3.506 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 94 . 1 1 23 LYS CB C 3.935 8.399 -4.232 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 95 . 1 1 23 LYS H H 6.757 7.443 -4.657 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_1rws 1
. 1 . 96 . 1 1 23 LYS HA H 5.395 9.441 -3.063 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 97 . 1 1 23 LYS N N 6.369 8.323 -4.504 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_1rws 1
. 1 . 98 . 1 1 23 LYS O O 5.011 6.169 -2.995 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_1rws 1
. 1 . 99 . 1 1 24 GLU C C 5.096 5.124 -0.819 . . . 1.0 . . . . . . . . . . . . A . 16 GLU C . . . . . . . . . rr_1rws 1
. 1 . 100 . 1 1 24 GLU CA C 6.347 6.005 -0.755 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 101 . 1 1 24 GLU CB C 6.723 6.282 0.702 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 102 . 1 1 24 GLU H H 6.603 8.110 -1.257 . . . 1.0 . . . . . . . . . . . . A . 16 GLU H . . . . . . . . . rr_1rws 1
. 1 . 103 . 1 1 24 GLU HA H 7.145 5.463 -1.249 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 104 . 1 1 24 GLU N N 6.094 7.296 -1.479 . . . 1.0 . . . . . . . . . . . . A . 16 GLU N . . . . . . . . . rr_1rws 1
. 1 . 105 . 1 1 24 GLU O O 4.072 5.529 -1.331 . . . 1.0 . . . . . . . . . . . . A . 16 GLU O . . . . . . . . . rr_1rws 1
. 1 . 106 . 1 1 25 ILE C C 4.049 1.678 0.107 . . . 1.0 . . . . . . . . . . . . A . 17 ILE C . . . . . . . . . rr_1rws 1
. 1 . 107 . 1 1 25 ILE CA C 4.039 2.951 -0.770 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 108 . 1 1 25 ILE CB C 4.178 2.512 -2.229 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 109 . 1 1 25 ILE H H 6.111 3.534 -0.250 . . . 1.0 . . . . . . . . . . . . A . 17 ILE H . . . . . . . . . rr_1rws 1
. 1 . 110 . 1 1 25 ILE HA H 3.102 3.513 -0.676 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 111 . 1 1 25 ILE N N 5.200 3.862 -0.449 . . . 1.0 . . . . . . . . . . . . A . 17 ILE N . . . . . . . . . rr_1rws 1
. 1 . 112 . 1 1 25 ILE O O 5.028 0.963 0.036 . . . 1.0 . . . . . . . . . . . . A . 17 ILE O . . . . . . . . . rr_1rws 1
. 1 . 113 . 1 1 26 GLU C C 3.530 -1.098 1.009 . . . 1.0 . . . . . . . . . . . . A . 18 GLU C . . . . . . . . . rr_1rws 1
. 1 . 114 . 1 1 26 GLU CA C 3.291 0.149 1.876 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 115 . 1 1 26 GLU CB C 2.031 -0.046 2.721 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 116 . 1 1 26 GLU H H 2.329 1.885 1.105 . . . 1.0 . . . . . . . . . . . . A . 18 GLU H . . . . . . . . . rr_1rws 1
. 1 . 117 . 1 1 26 GLU HA H 4.147 0.294 2.527 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 118 . 1 1 26 GLU N N 3.124 1.353 0.992 . . . 1.0 . . . . . . . . . . . . A . 18 GLU N . . . . . . . . . rr_1rws 1
. 1 . 119 . 1 1 26 GLU O O 4.273 -1.074 0.048 . . . 1.0 . . . . . . . . . . . . A . 18 GLU O . . . . . . . . . rr_1rws 1
. 1 . 120 . 1 1 27 TRP C C 2.150 -4.479 1.311 . . . 1.0 . . . . . . . . . . . . A . 19 TRP C . . . . . . . . . rr_1rws 1
. 1 . 121 . 1 1 27 TRP CA C 3.050 -3.467 0.589 . . . 1.0 . . . . . . . . . . . . A . 19 TRP CA . . . . . . . . . rr_1rws 1
. 1 . 122 . 1 1 27 TRP CB C 4.506 -3.936 0.630 . . . 1.0 . . . . . . . . . . . . A . 19 TRP CB . . . . . . . . . rr_1rws 1
. 1 . 123 . 1 1 27 TRP H H 2.299 -2.165 2.127 . . . 1.0 . . . . . . . . . . . . A . 19 TRP H . . . . . . . . . rr_1rws 1
. 1 . 124 . 1 1 27 TRP HA H 2.731 -3.320 -0.440 . . . 1.0 . . . . . . . . . . . . A . 19 TRP HA . . . . . . . . . rr_1rws 1
. 1 . 125 . 1 1 27 TRP N N 2.899 -2.188 1.351 . . . 1.0 . . . . . . . . . . . . A . 19 TRP N . . . . . . . . . rr_1rws 1
. 1 . 126 . 1 1 27 TRP O O 1.255 -4.051 2.013 . . . 1.0 . . . . . . . . . . . . A . 19 TRP O . . . . . . . . . rr_1rws 1
. 1 . 127 . 1 1 28 ARG C C 1.219 -8.073 1.699 . . . 1.0 . . . . . . . . . . . . A . 20 ARG C . . . . . . . . . rr_1rws 1
. 1 . 128 . 1 1 28 ARG CA C 1.013 -6.542 1.603 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CA . . . . . . . . . rr_1rws 1
. 1 . 129 . 1 1 28 ARG CB C -0.293 -6.222 0.874 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CB . . . . . . . . . rr_1rws 1
. 1 . 130 . 1 1 28 ARG H H 2.602 -6.070 0.215 . . . 1.0 . . . . . . . . . . . . A . 20 ARG H . . . . . . . . . rr_1rws 1
. 1 . 131 . 1 1 28 ARG HA H 0.937 -6.275 2.642 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HA . . . . . . . . . rr_1rws 1
. 1 . 132 . 1 1 28 ARG N N 2.163 -5.766 1.036 . . . 1.0 . . . . . . . . . . . . A . 20 ARG N . . . . . . . . . rr_1rws 1
. 1 . 133 . 1 1 28 ARG O O 2.099 -8.496 2.424 . . . 1.0 . . . . . . . . . . . . A . 20 ARG O . . . . . . . . . rr_1rws 1
. 1 . 134 . 1 1 29 GLU C C -0.297 -11.251 0.472 . . . 1.0 . . . . . . . . . . . . A . 21 GLU C . . . . . . . . . rr_1rws 1
. 1 . 135 . 1 1 29 GLU CA C 0.670 -10.410 1.326 . . . 1.0 . . . . . . . . . . . . A . 21 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 136 . 1 1 29 GLU CB C 0.464 -10.728 2.808 . . . 1.0 . . . . . . . . . . . . A . 21 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 137 . 1 1 29 GLU H H -0.024 -8.718 0.246 . . . 1.0 . . . . . . . . . . . . A . 21 GLU H . . . . . . . . . rr_1rws 1
. 1 . 138 . 1 1 29 GLU HA H 1.669 -10.692 1.025 . . . 1.0 . . . . . . . . . . . . A . 21 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 139 . 1 1 29 GLU N N 0.432 -8.948 1.080 . . . 1.0 . . . . . . . . . . . . A . 21 GLU N . . . . . . . . . rr_1rws 1
. 1 . 140 . 1 1 29 GLU O O -1.498 -11.205 0.649 . . . 1.0 . . . . . . . . . . . . A . 21 GLU O . . . . . . . . . rr_1rws 1
. 1 . 141 . 1 1 30 GLY C C -0.744 -12.106 -2.779 . . . 1.0 . . . . . . . . . . . . A . 22 GLY C . . . . . . . . . rr_1rws 1
. 1 . 142 . 1 1 30 GLY CA C -0.665 -12.776 -1.396 . . . 1.0 . . . . . . . . . . . . A . 22 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 143 . 1 1 30 GLY H H 1.159 -11.864 -0.762 . . . 1.0 . . . . . . . . . . . . A . 22 GLY H . . . . . . . . . rr_1rws 1
. 1 . 144 . 1 1 30 GLY HA2 H -0.264 -13.774 -1.504 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 145 . 1 1 30 GLY HA3 H -1.655 -12.832 -0.969 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 146 . 1 1 30 GLY N N 0.224 -11.979 -0.490 . . . 1.0 . . . . . . . . . . . . A . 22 GLY N . . . . . . . . . rr_1rws 1
. 1 . 147 . 1 1 30 GLY O O -0.997 -12.734 -3.789 . . . 1.0 . . . . . . . . . . . . A . 22 GLY O . . . . . . . . . rr_1rws 1
. 1 . 148 . 1 1 31 MET C C 0.695 -10.296 -4.784 . . . 1.0 . . . . . . . . . . . . A . 23 MET C . . . . . . . . . rr_1rws 1
. 1 . 149 . 1 1 31 MET CA C -0.639 -10.044 -4.087 . . . 1.0 . . . . . . . . . . . . A . 23 MET CA . . . . . . . . . rr_1rws 1
. 1 . 150 . 1 1 31 MET CB C -0.675 -8.559 -3.718 . . . 1.0 . . . . . . . . . . . . A . 23 MET CB . . . . . . . . . rr_1rws 1
. 1 . 151 . 1 1 31 MET H H -0.339 -10.421 -1.903 . . . 1.0 . . . . . . . . . . . . A . 23 MET H . . . . . . . . . rr_1rws 1
. 1 . 152 . 1 1 31 MET HA H -1.598 -10.265 -4.685 . . . 1.0 . . . . . . . . . . . . A . 23 MET HA . . . . . . . . . rr_1rws 1
. 1 . 153 . 1 1 31 MET N N -0.554 -10.821 -2.793 . . . 1.0 . . . . . . . . . . . . A . 23 MET N . . . . . . . . . rr_1rws 1
. 1 . 154 . 1 1 31 MET O O 1.308 -11.343 -4.713 . . . 1.0 . . . . . . . . . . . . A . 23 MET O . . . . . . . . . rr_1rws 1
. 1 . 155 . 1 1 32 LYS C C 2.083 -8.301 -7.495 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . rr_1rws 1
. 1 . 156 . 1 1 32 LYS CA C 1.628 -9.678 -6.967 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 157 . 1 1 32 LYS CB C 0.796 -10.346 -8.064 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 158 . 1 1 32 LYS H H -0.075 -9.081 -5.818 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . rr_1rws 1
. 1 . 159 . 1 1 32 LYS HA H 2.460 -10.305 -6.763 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 160 . 1 1 32 LYS N N 0.759 -9.516 -5.779 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . rr_1rws 1
. 1 . 161 . 1 1 32 LYS O O 1.316 -7.361 -7.436 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . rr_1rws 1
. 1 . 162 . 1 1 33 VAL C C 2.078 -6.615 -9.857 . . . 1.0 . . . . . . . . . . . . A . 25 VAL C . . . . . . . . . rr_1rws 1
. 1 . 163 . 1 1 33 VAL CA C 3.360 -7.002 -9.128 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 164 . 1 1 33 VAL CB C 4.360 -7.321 -10.240 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 165 . 1 1 33 VAL H H 3.727 -8.998 -8.435 . . . 1.0 . . . . . . . . . . . . A . 25 VAL H . . . . . . . . . rr_1rws 1
. 1 . 166 . 1 1 33 VAL HA H 3.723 -6.152 -8.571 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 167 . 1 1 33 VAL N N 3.141 -8.223 -8.284 . . . 1.0 . . . . . . . . . . . . A . 25 VAL N . . . . . . . . . rr_1rws 1
. 1 . 168 . 1 1 33 VAL O O 1.633 -5.486 -9.794 . . . 1.0 . . . . . . . . . . . . A . 25 VAL O . . . . . . . . . rr_1rws 1
. 1 . 169 . 1 1 34 ARG C C -0.530 -6.277 -10.837 . . . 1.0 . . . . . . . . . . . . A . 26 ARG C . . . . . . . . . rr_1rws 1
. 1 . 170 . 1 1 34 ARG CA C 0.479 -7.129 -11.602 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CA . . . . . . . . . rr_1rws 1
. 1 . 171 . 1 1 34 ARG CB C -0.217 -8.417 -12.046 . . . 1.0 . . . . . . . . . . . . A . 26 ARG CB . . . . . . . . . rr_1rws 1
. 1 . 172 . 1 1 34 ARG H H 1.964 -8.388 -10.765 . . . 1.0 . . . . . . . . . . . . A . 26 ARG H . . . . . . . . . rr_1rws 1
. 1 . 173 . 1 1 34 ARG HA H 0.859 -6.621 -12.487 . . . 1.0 . . . . . . . . . . . . A . 26 ARG HA . . . . . . . . . rr_1rws 1
. 1 . 174 . 1 1 34 ARG N N 1.594 -7.489 -10.696 . . . 1.0 . . . . . . . . . . . . A . 26 ARG N . . . . . . . . . rr_1rws 1
. 1 . 175 . 1 1 34 ARG O O -0.730 -5.115 -11.129 . . . 1.0 . . . . . . . . . . . . A . 26 ARG O . . . . . . . . . rr_1rws 1
. 1 . 176 . 1 1 35 ASP C C -1.527 -4.594 -8.765 . . . 1.0 . . . . . . . . . . . . A . 27 ASP C . . . . . . . . . rr_1rws 1
. 1 . 177 . 1 1 35 ASP CA C -2.088 -5.997 -9.014 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CA . . . . . . . . . rr_1rws 1
. 1 . 178 . 1 1 35 ASP CB C -2.375 -6.682 -7.677 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CB . . . . . . . . . rr_1rws 1
. 1 . 179 . 1 1 35 ASP H H -1.034 -7.829 -9.657 . . . 1.0 . . . . . . . . . . . . A . 27 ASP H . . . . . . . . . rr_1rws 1
. 1 . 180 . 1 1 35 ASP HA H -3.021 -5.842 -9.552 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HA . . . . . . . . . rr_1rws 1
. 1 . 181 . 1 1 35 ASP N N -1.131 -6.837 -9.821 . . . 1.0 . . . . . . . . . . . . A . 27 ASP N . . . . . . . . . rr_1rws 1
. 1 . 182 . 1 1 35 ASP O O -2.136 -3.624 -9.169 . . . 1.0 . . . . . . . . . . . . A . 27 ASP O . . . . . . . . . rr_1rws 1
. 1 . 183 . 1 1 36 ILE C C -0.200 -2.191 -8.984 . . . 1.0 . . . . . . . . . . . . A . 28 ILE C . . . . . . . . . rr_1rws 1
. 1 . 184 . 1 1 36 ILE CA C -0.056 -3.026 -7.707 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 185 . 1 1 36 ILE CB C 1.363 -2.959 -7.138 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 186 . 1 1 36 ILE H H -0.010 -5.201 -7.627 . . . 1.0 . . . . . . . . . . . . A . 28 ILE H . . . . . . . . . rr_1rws 1
. 1 . 187 . 1 1 36 ILE HA H -0.774 -2.623 -7.030 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 188 . 1 1 36 ILE N N -0.468 -4.428 -8.019 . . . 1.0 . . . . . . . . . . . . A . 28 ILE N . . . . . . . . . rr_1rws 1
. 1 . 189 . 1 1 36 ILE O O -0.681 -1.075 -8.981 . . . 1.0 . . . . . . . . . . . . A . 28 ILE O . . . . . . . . . rr_1rws 1
. 1 . 190 . 1 1 37 LEU C C -1.502 -2.008 -11.721 . . . 1.0 . . . . . . . . . . . . A . 29 LEU C . . . . . . . . . rr_1rws 1
. 1 . 191 . 1 1 37 LEU CA C -0.007 -2.137 -11.408 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CA . . . . . . . . . rr_1rws 1
. 1 . 192 . 1 1 37 LEU CB C 0.690 -2.989 -12.469 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CB . . . . . . . . . rr_1rws 1
. 1 . 193 . 1 1 37 LEU H H 0.542 -3.672 -10.000 . . . 1.0 . . . . . . . . . . . . A . 29 LEU H . . . . . . . . . rr_1rws 1
. 1 . 194 . 1 1 37 LEU HA H 0.430 -1.153 -11.392 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HA . . . . . . . . . rr_1rws 1
. 1 . 195 . 1 1 37 LEU N N 0.151 -2.788 -10.072 . . . 1.0 . . . . . . . . . . . . A . 29 LEU N . . . . . . . . . rr_1rws 1
. 1 . 196 . 1 1 37 LEU O O -1.971 -0.980 -12.167 . . . 1.0 . . . . . . . . . . . . A . 29 LEU O . . . . . . . . . rr_1rws 1
. 1 . 197 . 1 1 38 ARG C C -4.228 -1.630 -10.618 . . . 1.0 . . . . . . . . . . . . A . 30 ARG C . . . . . . . . . rr_1rws 1
. 1 . 198 . 1 1 38 ARG CA C -3.752 -2.872 -11.375 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CA . . . . . . . . . rr_1rws 1
. 1 . 199 . 1 1 38 ARG CB C -4.397 -4.107 -10.747 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CB . . . . . . . . . rr_1rws 1
. 1 . 200 . 1 1 38 ARG H H -1.854 -3.734 -10.844 . . . 1.0 . . . . . . . . . . . . A . 30 ARG H . . . . . . . . . rr_1rws 1
. 1 . 201 . 1 1 38 ARG HA H -4.065 -2.810 -12.399 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HA . . . . . . . . . rr_1rws 1
. 1 . 202 . 1 1 38 ARG N N -2.263 -2.981 -11.309 . . . 1.0 . . . . . . . . . . . . A . 30 ARG N . . . . . . . . . rr_1rws 1
. 1 . 203 . 1 1 38 ARG O O -5.195 -1.004 -11.004 . . . 1.0 . . . . . . . . . . . . A . 30 ARG O . . . . . . . . . rr_1rws 1
. 1 . 204 . 1 1 39 ALA C C -3.881 1.172 -9.828 . . . 1.0 . . . . . . . . . . . . A . 31 ALA C . . . . . . . . . rr_1rws 1
. 1 . 205 . 1 1 39 ALA CA C -4.028 0.006 -8.848 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CA . . . . . . . . . rr_1rws 1
. 1 . 206 . 1 1 39 ALA CB C -3.276 0.251 -7.538 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CB . . . . . . . . . rr_1rws 1
. 1 . 207 . 1 1 39 ALA H H -2.688 -1.674 -9.367 . . . 1.0 . . . . . . . . . . . . A . 31 ALA H . . . . . . . . . rr_1rws 1
. 1 . 208 . 1 1 39 ALA HA H -5.085 -0.042 -8.708 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HA . . . . . . . . . rr_1rws 1
. 1 . 209 . 1 1 39 ALA N N -3.559 -1.239 -9.562 . . . 1.0 . . . . . . . . . . . . A . 31 ALA N . . . . . . . . . rr_1rws 1
. 1 . 210 . 1 1 39 ALA O O -4.515 2.202 -9.720 . . . 1.0 . . . . . . . . . . . . A . 31 ALA O . . . . . . . . . rr_1rws 1
. 1 . 211 . 1 1 40 VAL C C -4.210 1.608 -12.929 . . . 1.0 . . . . . . . . . . . . A . 32 VAL C . . . . . . . . . rr_1rws 1
. 1 . 212 . 1 1 40 VAL CA C -3.075 1.913 -11.952 . . . 1.0 . . . . . . . . . . . . A . 32 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 213 . 1 1 40 VAL CB C -1.729 1.798 -12.669 . . . 1.0 . . . . . . . . . . . . A . 32 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 214 . 1 1 40 VAL H H -2.876 -0.015 -11.014 . . . 1.0 . . . . . . . . . . . . A . 32 VAL H . . . . . . . . . rr_1rws 1
. 1 . 215 . 1 1 40 VAL HA H -3.196 2.917 -11.558 . . . 1.0 . . . . . . . . . . . . A . 32 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 216 . 1 1 40 VAL N N -3.150 0.909 -10.862 . . . 1.0 . . . . . . . . . . . . A . 32 VAL N . . . . . . . . . rr_1rws 1
. 1 . 217 . 1 1 40 VAL O O -4.420 2.328 -13.885 . . . 1.0 . . . . . . . . . . . . A . 32 VAL O . . . . . . . . . rr_1rws 1
. 1 . 218 . 1 1 41 GLY C C -4.974 -0.395 -15.009 . . . 1.0 . . . . . . . . . . . . A . 33 GLY C . . . . . . . . . rr_1rws 1
. 1 . 219 . 1 1 41 GLY CA C -5.822 0.051 -13.827 . . . 1.0 . . . . . . . . . . . . A . 33 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 220 . 1 1 41 GLY H H -4.510 -0.200 -12.155 . . . 1.0 . . . . . . . . . . . . A . 33 GLY H . . . . . . . . . rr_1rws 1
. 1 . 221 . 1 1 41 GLY HA2 H -6.424 -0.769 -13.463 . . . 1.0 . . . . . . . . . . . . A . 33 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 222 . 1 1 41 GLY HA3 H -6.448 0.883 -14.110 . . . 1.0 . . . . . . . . . . . . A . 33 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 223 . 1 1 41 GLY N N -4.839 0.468 -12.794 . . . 1.0 . . . . . . . . . . . . A . 33 GLY N . . . . . . . . . rr_1rws 1
. 1 . 224 . 1 1 41 GLY O O -5.294 -0.161 -16.158 . . . 1.0 . . . . . . . . . . . . A . 33 GLY O . . . . . . . . . rr_1rws 1
. 1 . 225 . 1 1 42 PHE C C -1.887 -2.318 -15.204 . . . 1.0 . . . . . . . . . . . . A . 34 PHE C . . . . . . . . . rr_1rws 1
. 1 . 226 . 1 1 42 PHE CA C -2.761 -1.168 -15.738 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CA . . . . . . . . . rr_1rws 1
. 1 . 227 . 1 1 42 PHE CB C -1.878 0.071 -15.900 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CB . . . . . . . . . rr_1rws 1
. 1 . 228 . 1 1 42 PHE H H -3.551 -0.950 -13.746 . . . 1.0 . . . . . . . . . . . . A . 34 PHE H . . . . . . . . . rr_1rws 1
. 1 . 229 . 1 1 42 PHE HA H -3.210 -1.394 -16.713 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HA . . . . . . . . . rr_1rws 1
. 1 . 230 . 1 1 42 PHE N N -3.792 -0.871 -14.697 . . . 1.0 . . . . . . . . . . . . A . 34 PHE N . . . . . . . . . rr_1rws 1
. 1 . 231 . 1 1 42 PHE O O -0.865 -2.059 -14.603 . . . 1.0 . . . . . . . . . . . . A . 34 PHE O . . . . . . . . . rr_1rws 1
. 1 . 232 . 1 1 43 ASN C C 0.235 -4.083 -16.225 . . . 1.0 . . . . . . . . . . . . A . 35 ASN C . . . . . . . . . rr_1rws 1
. 1 . 233 . 1 1 43 ASN CA C -1.014 -4.557 -15.471 . . . 1.0 . . . . . . . . . . . . A . 35 ASN CA . . . . . . . . . rr_1rws 1
. 1 . 234 . 1 1 43 ASN CB C -1.484 -5.892 -16.052 . . . 1.0 . . . . . . . . . . . . A . 35 ASN CB . . . . . . . . . rr_1rws 1
. 1 . 235 . 1 1 43 ASN H H -2.734 -3.667 -16.359 . . . 1.0 . . . . . . . . . . . . A . 35 ASN H . . . . . . . . . rr_1rws 1
. 1 . 236 . 1 1 43 ASN HA H -0.729 -4.692 -14.441 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HA . . . . . . . . . rr_1rws 1
. 1 . 237 . 1 1 43 ASN N N -2.091 -3.530 -15.645 . . . 1.0 . . . . . . . . . . . . A . 35 ASN N . . . . . . . . . rr_1rws 1
. 1 . 238 . 1 1 43 ASN O O 0.744 -4.749 -17.105 . . . 1.0 . . . . . . . . . . . . A . 35 ASN O . . . . . . . . . rr_1rws 1
. 1 . 239 . 1 1 44 THR C C 1.253 -2.460 -18.369 . . . 1.0 . . . . . . . . . . . . A . 36 THR C . . . . . . . . . rr_1rws 1
. 1 . 240 . 1 1 44 THR CA C 1.625 -2.225 -16.903 . . . 1.0 . . . . . . . . . . . . A . 36 THR CA . . . . . . . . . rr_1rws 1
. 1 . 241 . 1 1 44 THR CB C 2.940 -2.961 -16.637 . . . 1.0 . . . . . . . . . . . . A . 36 THR CB . . . . . . . . . rr_1rws 1
. 1 . 242 . 1 1 44 THR H H -0.115 -2.279 -15.596 . . . 1.0 . . . . . . . . . . . . A . 36 THR H . . . . . . . . . rr_1rws 1
. 1 . 243 . 1 1 44 THR HA H 1.762 -1.193 -16.615 . . . 1.0 . . . . . . . . . . . . A . 36 THR HA . . . . . . . . . rr_1rws 1
. 1 . 244 . 1 1 44 THR N N 0.572 -2.839 -16.023 . . . 1.0 . . . . . . . . . . . . A . 36 THR N . . . . . . . . . rr_1rws 1
. 1 . 245 . 1 1 44 THR O O 1.745 -3.423 -18.924 . . . 1.0 . . . . . . . . . . . . A . 36 THR O . . . . . . . . . rr_1rws 1
. 1 . 246 . 1 1 45 GLU C C 1.319 -1.104 -21.336 . . . 1.0 . . . . . . . . . . . . A . 37 GLU C . . . . . . . . . rr_1rws 1
. 1 . 247 . 1 1 45 GLU CA C 0.373 -1.986 -20.540 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 248 . 1 1 45 GLU CB C -1.065 -1.710 -20.985 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 249 . 1 1 45 GLU H H 0.109 -0.793 -18.813 . . . 1.0 . . . . . . . . . . . . A . 37 GLU H . . . . . . . . . rr_1rws 1
. 1 . 250 . 1 1 45 GLU HA H 0.613 -2.995 -20.741 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 251 . 1 1 45 GLU N N 0.513 -1.648 -19.097 . . . 1.0 . . . . . . . . . . . . A . 37 GLU N . . . . . . . . . rr_1rws 1
. 1 . 252 . 1 1 45 GLU O O 2.044 -1.493 -22.230 . . . 1.0 . . . . . . . . . . . . A . 37 GLU O . . . . . . . . . rr_1rws 1
. 1 . 253 . 1 1 46 SER C C 3.496 1.297 -21.005 . . . 1.0 . . . . . . . . . . . . A . 38 SER C . . . . . . . . . rr_1rws 1
. 1 . 254 . 1 1 46 SER CA C 2.052 1.234 -21.509 . . . 1.0 . . . . . . . . . . . . A . 38 SER CA . . . . . . . . . rr_1rws 1
. 1 . 255 . 1 1 46 SER CB C 1.361 2.552 -21.158 . . . 1.0 . . . . . . . . . . . . A . 38 SER CB . . . . . . . . . rr_1rws 1
. 1 . 256 . 1 1 46 SER H H 0.655 0.232 -20.160 . . . 1.0 . . . . . . . . . . . . A . 38 SER H . . . . . . . . . rr_1rws 1
. 1 . 257 . 1 1 46 SER HA H 2.104 1.154 -22.580 . . . 1.0 . . . . . . . . . . . . A . 38 SER HA . . . . . . . . . rr_1rws 1
. 1 . 258 . 1 1 46 SER N N 1.244 0.107 -20.929 . . . 1.0 . . . . . . . . . . . . A . 38 SER N . . . . . . . . . rr_1rws 1
. 1 . 259 . 1 1 46 SER O O 3.882 2.249 -20.357 . . . 1.0 . . . . . . . . . . . . A . 38 SER O . . . . . . . . . rr_1rws 1
. 1 . 260 . 1 1 47 ALA C C 6.486 -0.877 -20.716 . . . 1.0 . . . . . . . . . . . . A . 39 ALA C . . . . . . . . . rr_1rws 1
. 1 . 261 . 1 1 47 ALA CA C 5.696 0.436 -20.755 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CA . . . . . . . . . rr_1rws 1
. 1 . 262 . 1 1 47 ALA CB C 5.600 0.920 -19.305 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CB . . . . . . . . . rr_1rws 1
. 1 . 263 . 1 1 47 ALA H H 3.893 -0.533 -21.630 . . . 1.0 . . . . . . . . . . . . A . 39 ALA H . . . . . . . . . rr_1rws 1
. 1 . 264 . 1 1 47 ALA HA H 6.243 1.195 -21.301 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HA . . . . . . . . . rr_1rws 1
. 1 . 265 . 1 1 47 ALA N N 4.301 0.314 -21.304 . . . 1.0 . . . . . . . . . . . . A . 39 ALA N . . . . . . . . . rr_1rws 1
. 1 . 266 . 1 1 47 ALA O O 5.980 -1.956 -20.954 . . . 1.0 . . . . . . . . . . . . A . 39 ALA O . . . . . . . . . rr_1rws 1
. 1 . 267 . 1 1 48 ILE C C 8.685 -1.706 -18.157 . . . 1.0 . . . . . . . . . . . . A . 40 ILE C . . . . . . . . . rr_1rws 1
. 1 . 268 . 1 1 48 ILE CA C 8.451 -1.926 -19.659 . . . 1.0 . . . . . . . . . . . . A . 40 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 269 . 1 1 48 ILE CB C 9.802 -1.874 -20.376 . . . 1.0 . . . . . . . . . . . . A . 40 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 270 . 1 1 48 ILE H H 7.939 0.153 -19.871 . . . 1.0 . . . . . . . . . . . . A . 40 ILE H . . . . . . . . . rr_1rws 1
. 1 . 271 . 1 1 48 ILE HA H 7.967 -2.868 -19.895 . . . 1.0 . . . . . . . . . . . . A . 40 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 272 . 1 1 48 ILE N N 7.632 -0.756 -20.102 . . . 1.0 . . . . . . . . . . . . A . 40 ILE N . . . . . . . . . rr_1rws 1
. 1 . 273 . 1 1 48 ILE O O 8.803 -0.565 -17.758 . . . 1.0 . . . . . . . . . . . . A . 40 ILE O . . . . . . . . . rr_1rws 1
. 1 . 274 . 1 1 49 ALA C C 10.140 -2.668 -15.265 . . . 1.0 . . . . . . . . . . . . A . 41 ALA C . . . . . . . . . rr_1rws 1
. 1 . 275 . 1 1 49 ALA CA C 8.778 -2.278 -15.851 . . . 1.0 . . . . . . . . . . . . A . 41 ALA CA . . . . . . . . . rr_1rws 1
. 1 . 276 . 1 1 49 ALA CB C 7.680 -2.986 -15.055 . . . 1.0 . . . . . . . . . . . . A . 41 ALA CB . . . . . . . . . rr_1rws 1
. 1 . 277 . 1 1 49 ALA H H 8.468 -3.625 -17.495 . . . 1.0 . . . . . . . . . . . . A . 41 ALA H . . . . . . . . . rr_1rws 1
. 1 . 278 . 1 1 49 ALA HA H 8.619 -1.207 -15.787 . . . 1.0 . . . . . . . . . . . . A . 41 ALA HA . . . . . . . . . rr_1rws 1
. 1 . 279 . 1 1 49 ALA N N 8.672 -2.687 -17.284 . . . 1.0 . . . . . . . . . . . . A . 41 ALA N . . . . . . . . . rr_1rws 1
. 1 . 280 . 1 1 49 ALA O O 10.725 -3.662 -15.647 . . . 1.0 . . . . . . . . . . . . A . 41 ALA O . . . . . . . . . rr_1rws 1
. 1 . 281 . 1 1 50 LYS C C 12.091 -1.824 -12.326 . . . 1.0 . . . . . . . . . . . . A . 42 LYS C . . . . . . . . . rr_1rws 1
. 1 . 282 . 1 1 50 LYS CA C 12.003 -2.233 -13.810 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 283 . 1 1 50 LYS CB C 13.067 -1.455 -14.588 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 284 . 1 1 50 LYS H H 10.295 -0.990 -14.201 . . . 1.0 . . . . . . . . . . . . A . 42 LYS H . . . . . . . . . rr_1rws 1
. 1 . 285 . 1 1 50 LYS HA H 12.158 -3.284 -13.979 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 286 . 1 1 50 LYS N N 10.665 -1.884 -14.364 . . . 1.0 . . . . . . . . . . . . A . 42 LYS N . . . . . . . . . rr_1rws 1
. 1 . 287 . 1 1 50 LYS O O 12.126 -0.643 -12.046 . . . 1.0 . . . . . . . . . . . . A . 42 LYS O . . . . . . . . . rr_1rws 1
. 1 . 288 . 1 1 51 VAL C C 13.514 -2.323 -9.330 . . . 1.0 . . . . . . . . . . . . A . 43 VAL C . . . . . . . . . rr_1rws 1
. 1 . 289 . 1 1 51 VAL CA C 12.103 -2.286 -9.914 . . . 1.0 . . . . . . . . . . . . A . 43 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 290 . 1 1 51 VAL CB C 11.187 -3.199 -9.097 . . . 1.0 . . . . . . . . . . . . A . 43 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 291 . 1 1 51 VAL H H 11.985 -3.655 -11.545 . . . 1.0 . . . . . . . . . . . . A . 43 VAL H . . . . . . . . . rr_1rws 1
. 1 . 292 . 1 1 51 VAL HA H 11.748 -1.277 -9.853 . . . 1.0 . . . . . . . . . . . . A . 43 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 293 . 1 1 51 VAL N N 12.082 -2.709 -11.349 . . . 1.0 . . . . . . . . . . . . A . 43 VAL N . . . . . . . . . rr_1rws 1
. 1 . 294 . 1 1 51 VAL O O 14.331 -3.151 -9.683 . . . 1.0 . . . . . . . . . . . . A . 43 VAL O . . . . . . . . . rr_1rws 1
. 1 . 295 . 1 1 52 ASN C C 16.194 -1.239 -9.266 . . . 1.0 . . . . . . . . . . . . A . 44 ASN C . . . . . . . . . rr_1rws 1
. 1 . 296 . 1 1 52 ASN CA C 15.229 -1.179 -8.078 . . . 1.0 . . . . . . . . . . . . A . 44 ASN CA . . . . . . . . . rr_1rws 1
. 1 . 297 . 1 1 52 ASN CB C 15.557 -2.292 -7.081 . . . 1.0 . . . . . . . . . . . . A . 44 ASN CB . . . . . . . . . rr_1rws 1
. 1 . 298 . 1 1 52 ASN H H 13.151 -0.663 -8.307 . . . 1.0 . . . . . . . . . . . . A . 44 ASN H . . . . . . . . . rr_1rws 1
. 1 . 299 . 1 1 52 ASN HA H 15.305 -0.222 -7.597 . . . 1.0 . . . . . . . . . . . . A . 44 ASN HA . . . . . . . . . rr_1rws 1
. 1 . 300 . 1 1 52 ASN N N 13.838 -1.324 -8.555 . . . 1.0 . . . . . . . . . . . . A . 44 ASN N . . . . . . . . . rr_1rws 1
. 1 . 301 . 1 1 52 ASN O O 17.365 -1.518 -9.102 . . . 1.0 . . . . . . . . . . . . A . 44 ASN O . . . . . . . . . rr_1rws 1
. 1 . 302 . 1 1 53 GLY C C 16.851 -2.108 -12.264 . . . 1.0 . . . . . . . . . . . . A . 45 GLY C . . . . . . . . . rr_1rws 1
. 1 . 303 . 1 1 53 GLY CA C 16.763 -0.784 -11.522 . . . 1.0 . . . . . . . . . . . . A . 45 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 304 . 1 1 53 GLY H H 14.825 -0.542 -10.582 . . . 1.0 . . . . . . . . . . . . A . 45 GLY H . . . . . . . . . rr_1rws 1
. 1 . 305 . 1 1 53 GLY HA2 H 16.524 0.016 -12.207 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 306 . 1 1 53 GLY HA3 H 17.715 -0.612 -11.066 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 307 . 1 1 53 GLY N N 15.751 -0.858 -10.432 . . . 1.0 . . . . . . . . . . . . A . 45 GLY N . . . . . . . . . rr_1rws 1
. 1 . 308 . 1 1 53 GLY O O 17.581 -2.269 -13.222 . . . 1.0 . . . . . . . . . . . . A . 45 GLY O . . . . . . . . . rr_1rws 1
. 1 . 309 . 1 1 54 LYS C C 14.828 -4.510 -13.297 . . . 1.0 . . . . . . . . . . . . A . 46 LYS C . . . . . . . . . rr_1rws 1
. 1 . 310 . 1 1 54 LYS CA C 16.074 -4.404 -12.429 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 311 . 1 1 54 LYS CB C 16.099 -5.505 -11.367 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 312 . 1 1 54 LYS H H 15.578 -2.869 -11.001 . . . 1.0 . . . . . . . . . . . . A . 46 LYS H . . . . . . . . . rr_1rws 1
. 1 . 313 . 1 1 54 LYS HA H 16.882 -4.523 -13.129 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 314 . 1 1 54 LYS N N 16.095 -3.052 -11.805 . . . 1.0 . . . . . . . . . . . . A . 46 LYS N . . . . . . . . . rr_1rws 1
. 1 . 315 . 1 1 54 LYS O O 13.809 -3.909 -13.035 . . . 1.0 . . . . . . . . . . . . A . 46 LYS O . . . . . . . . . rr_1rws 1
. 1 . 316 . 1 1 55 VAL C C 12.920 -6.441 -15.023 . . . 1.0 . . . . . . . . . . . . A . 47 VAL C . . . . . . . . . rr_1rws 1
. 1 . 317 . 1 1 55 VAL CA C 13.868 -5.298 -15.381 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 318 . 1 1 55 VAL CB C 14.480 -5.590 -16.753 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 319 . 1 1 55 VAL H H 15.812 -5.713 -14.557 . . . 1.0 . . . . . . . . . . . . A . 47 VAL H . . . . . . . . . rr_1rws 1
. 1 . 320 . 1 1 55 VAL HA H 13.312 -4.370 -15.445 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 321 . 1 1 55 VAL N N 14.973 -5.211 -14.381 . . . 1.0 . . . . . . . . . . . . A . 47 VAL N . . . . . . . . . rr_1rws 1
. 1 . 322 . 1 1 55 VAL O O 13.247 -7.336 -14.269 . . . 1.0 . . . . . . . . . . . . A . 47 VAL O . . . . . . . . . rr_1rws 1
. 1 . 323 . 1 1 56 VAL C C 9.699 -7.696 -16.211 . . . 1.0 . . . . . . . . . . . . A . 48 VAL C . . . . . . . . . rr_1rws 1
. 1 . 324 . 1 1 56 VAL CA C 10.804 -7.475 -15.153 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 325 . 1 1 56 VAL CB C 10.155 -7.136 -13.810 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 326 . 1 1 56 VAL H H 11.424 -5.526 -15.943 . . . 1.0 . . . . . . . . . . . . A . 48 VAL H . . . . . . . . . rr_1rws 1
. 1 . 327 . 1 1 56 VAL HA H 11.449 -8.338 -15.031 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 328 . 1 1 56 VAL N N 11.735 -6.375 -15.542 . . . 1.0 . . . . . . . . . . . . A . 48 VAL N . . . . . . . . . rr_1rws 1
. 1 . 329 . 1 1 56 VAL O O 9.597 -6.923 -17.143 . . . 1.0 . . . . . . . . . . . . A . 48 VAL O . . . . . . . . . rr_1rws 1
. 1 . 330 . 1 1 57 LEU C C 6.330 -8.195 -16.043 . . . 1.0 . . . . . . . . . . . . A . 49 LEU C . . . . . . . . . rr_1rws 1
. 1 . 331 . 1 1 57 LEU CA C 7.543 -8.637 -16.875 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CA . . . . . . . . . rr_1rws 1
. 1 . 332 . 1 1 57 LEU CB C 7.325 -10.087 -17.314 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CB . . . . . . . . . rr_1rws 1
. 1 . 333 . 1 1 57 LEU H H 8.817 -9.262 -15.273 . . . 1.0 . . . . . . . . . . . . A . 49 LEU H . . . . . . . . . rr_1rws 1
. 1 . 334 . 1 1 57 LEU HA H 7.660 -8.023 -17.763 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HA . . . . . . . . . rr_1rws 1
. 1 . 335 . 1 1 57 LEU N N 8.749 -8.587 -15.997 . . . 1.0 . . . . . . . . . . . . A . 49 LEU N . . . . . . . . . rr_1rws 1
. 1 . 336 . 1 1 57 LEU O O 6.467 -7.836 -14.890 . . . 1.0 . . . . . . . . . . . . A . 49 LEU O . . . . . . . . . rr_1rws 1
. 1 . 337 . 1 1 58 GLU C C 3.550 -8.823 -14.786 . . . 1.0 . . . . . . . . . . . . A . 50 GLU C . . . . . . . . . rr_1rws 1
. 1 . 338 . 1 1 58 GLU CA C 3.817 -7.862 -15.948 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 339 . 1 1 58 GLU CB C 2.695 -8.011 -16.979 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 340 . 1 1 58 GLU H H 5.083 -8.476 -17.517 . . . 1.0 . . . . . . . . . . . . A . 50 GLU H . . . . . . . . . rr_1rws 1
. 1 . 341 . 1 1 58 GLU HA H 3.773 -6.855 -15.522 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 342 . 1 1 58 GLU N N 5.129 -8.232 -16.601 . . . 1.0 . . . . . . . . . . . . A . 50 GLU N . . . . . . . . . rr_1rws 1
. 1 . 343 . 1 1 58 GLU O O 2.912 -8.474 -13.813 . . . 1.0 . . . . . . . . . . . . A . 50 GLU O . . . . . . . . . rr_1rws 1
. 1 . 344 . 1 1 59 ASP C C 4.940 -11.221 -12.925 . . . 1.0 . . . . . . . . . . . . A . 51 ASP C . . . . . . . . . rr_1rws 1
. 1 . 345 . 1 1 59 ASP CA C 3.712 -11.035 -13.829 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CA . . . . . . . . . rr_1rws 1
. 1 . 346 . 1 1 59 ASP CB C 3.489 -12.379 -14.525 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CB . . . . . . . . . rr_1rws 1
. 1 . 347 . 1 1 59 ASP H H 4.566 -10.297 -15.656 . . . 1.0 . . . . . . . . . . . . A . 51 ASP H . . . . . . . . . rr_1rws 1
. 1 . 348 . 1 1 59 ASP HA H 2.756 -10.764 -13.369 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HA . . . . . . . . . rr_1rws 1
. 1 . 349 . 1 1 59 ASP N N 3.991 -10.041 -14.904 . . . 1.0 . . . . . . . . . . . . A . 51 ASP N . . . . . . . . . rr_1rws 1
. 1 . 350 . 1 1 59 ASP O O 4.869 -11.898 -11.918 . . . 1.0 . . . . . . . . . . . . A . 51 ASP O . . . . . . . . . rr_1rws 1
. 1 . 351 . 1 1 60 ASP C C 7.237 -10.031 -11.248 . . . 1.0 . . . . . . . . . . . . A . 52 ASP C . . . . . . . . . rr_1rws 1
. 1 . 352 . 1 1 60 ASP CA C 7.292 -10.958 -12.458 . . . 1.0 . . . . . . . . . . . . A . 52 ASP CA . . . . . . . . . rr_1rws 1
. 1 . 353 . 1 1 60 ASP CB C 8.554 -10.658 -13.270 . . . 1.0 . . . . . . . . . . . . A . 52 ASP CB . . . . . . . . . rr_1rws 1
. 1 . 354 . 1 1 60 ASP H H 6.145 -9.986 -13.990 . . . 1.0 . . . . . . . . . . . . A . 52 ASP H . . . . . . . . . rr_1rws 1
. 1 . 355 . 1 1 60 ASP HA H 7.298 -11.994 -12.156 . . . 1.0 . . . . . . . . . . . . A . 52 ASP HA . . . . . . . . . rr_1rws 1
. 1 . 356 . 1 1 60 ASP N N 6.090 -10.695 -13.299 . . . 1.0 . . . . . . . . . . . . A . 52 ASP N . . . . . . . . . rr_1rws 1
. 1 . 357 . 1 1 60 ASP O O 7.350 -8.831 -11.402 . . . 1.0 . . . . . . . . . . . . A . 52 ASP O . . . . . . . . . rr_1rws 1
. 1 . 358 . 1 1 61 GLU C C 7.241 -8.307 -9.023 . . . 1.0 . . . . . . . . . . . . A . 53 GLU C . . . . . . . . . rr_1rws 1
. 1 . 359 . 1 1 61 GLU CA C 6.362 -9.560 -9.082 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 360 . 1 1 61 GLU CB C 6.494 -10.277 -7.737 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 361 . 1 1 61 GLU H H 6.349 -11.381 -10.088 . . . 1.0 . . . . . . . . . . . . A . 53 GLU H . . . . . . . . . rr_1rws 1
. 1 . 362 . 1 1 61 GLU HA H 5.311 -9.339 -9.231 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 363 . 1 1 61 GLU N N 6.769 -10.502 -10.127 . . . 1.0 . . . . . . . . . . . . A . 53 GLU N . . . . . . . . . rr_1rws 1
. 1 . 364 . 1 1 61 GLU O O 8.437 -8.362 -9.231 . . . 1.0 . . . . . . . . . . . . A . 53 GLU O . . . . . . . . . rr_1rws 1
. 1 . 365 . 1 1 62 VAL C C 7.596 -6.793 -6.218 . . . 1.0 . . . . . . . . . . . . A . 54 VAL C . . . . . . . . . rr_1rws 1
. 1 . 366 . 1 1 62 VAL CA C 7.503 -6.301 -7.647 . . . 1.0 . . . . . . . . . . . . A . 54 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 367 . 1 1 62 VAL CB C 6.760 -4.968 -7.723 . . . 1.0 . . . . . . . . . . . . A . 54 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 368 . 1 1 62 VAL H H 5.857 -7.519 -7.900 . . . 1.0 . . . . . . . . . . . . A . 54 VAL H . . . . . . . . . rr_1rws 1
. 1 . 369 . 1 1 62 VAL HA H 8.513 -6.212 -7.952 . . . 1.0 . . . . . . . . . . . . A . 54 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 370 . 1 1 62 VAL N N 6.724 -7.369 -8.286 . . . 1.0 . . . . . . . . . . . . A . 54 VAL N . . . . . . . . . rr_1rws 1
. 1 . 371 . 1 1 62 VAL O O 7.182 -7.891 -5.904 . . . 1.0 . . . . . . . . . . . . A . 54 VAL O . . . . . . . . . rr_1rws 1
. 1 . 372 . 1 1 63 LYS C C 8.214 -4.802 -3.232 . . . 1.0 . . . . . . . . . . . . A . 55 LYS C . . . . . . . . . rr_1rws 1
. 1 . 373 . 1 1 63 LYS CA C 8.065 -6.185 -3.863 . . . 1.0 . . . . . . . . . . . . A . 55 LYS CA . . . . . . . . . rr_1rws 1
. 1 . 374 . 1 1 63 LYS CB C 9.291 -7.034 -3.521 . . . 1.0 . . . . . . . . . . . . A . 55 LYS CB . . . . . . . . . rr_1rws 1
. 1 . 375 . 1 1 63 LYS H H 8.156 -5.062 -5.599 . . . 1.0 . . . . . . . . . . . . A . 55 LYS H . . . . . . . . . rr_1rws 1
. 1 . 376 . 1 1 63 LYS HA H 7.188 -6.644 -3.458 . . . 1.0 . . . . . . . . . . . . A . 55 LYS HA . . . . . . . . . rr_1rws 1
. 1 . 377 . 1 1 63 LYS N N 8.019 -5.957 -5.324 . . . 1.0 . . . . . . . . . . . . A . 55 LYS N . . . . . . . . . rr_1rws 1
. 1 . 378 . 1 1 63 LYS O O 9.087 -4.047 -3.610 . . . 1.0 . . . . . . . . . . . . A . 55 LYS O . . . . . . . . . rr_1rws 1
. 1 . 379 . 1 1 64 ASP C C 7.410 -2.119 -1.518 . . . 1.0 . . . . . . . . . . . . A . 56 ASP C . . . . . . . . . rr_1rws 1
. 1 . 380 . 1 1 64 ASP CA C 8.060 -3.477 -1.268 . . . 1.0 . . . . . . . . . . . . A . 56 ASP CA . . . . . . . . . rr_1rws 1
. 1 . 381 . 1 1 64 ASP CB C 9.576 -3.317 -1.409 . . . 1.0 . . . . . . . . . . . . A . 56 ASP CB . . . . . . . . . rr_1rws 1
. 1 . 382 . 1 1 64 ASP H H 7.139 -5.345 -1.621 . . . 1.0 . . . . . . . . . . . . A . 56 ASP H . . . . . . . . . rr_1rws 1
. 1 . 383 . 1 1 64 ASP HA H 7.871 -3.756 -0.286 . . . 1.0 . . . . . . . . . . . . A . 56 ASP HA . . . . . . . . . rr_1rws 1
. 1 . 384 . 1 1 64 ASP N N 7.602 -4.618 -2.109 . . . 1.0 . . . . . . . . . . . . A . 56 ASP N . . . . . . . . . rr_1rws 1
. 1 . 385 . 1 1 64 ASP O O 7.963 -1.106 -1.138 . . . 1.0 . . . . . . . . . . . . A . 56 ASP O . . . . . . . . . rr_1rws 1
. 1 . 386 . 1 1 65 GLY C C 6.800 -0.356 -4.028 . . . 1.0 . . . . . . . . . . . . A . 57 GLY C . . . . . . . . . rr_1rws 1
. 1 . 387 . 1 1 65 GLY CA C 5.980 -0.685 -2.781 . . . 1.0 . . . . . . . . . . . . A . 57 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 388 . 1 1 65 GLY H H 5.790 -2.785 -2.461 . . . 1.0 . . . . . . . . . . . . A . 57 GLY H . . . . . . . . . rr_1rws 1
. 1 . 389 . 1 1 65 GLY HA2 H 4.927 -0.685 -3.019 . . . 1.0 . . . . . . . . . . . . A . 57 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 390 . 1 1 65 GLY HA3 H 6.184 0.040 -2.010 . . . 1.0 . . . . . . . . . . . . A . 57 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 391 . 1 1 65 GLY N N 6.400 -2.038 -2.331 . . . 1.0 . . . . . . . . . . . . A . 57 GLY N . . . . . . . . . rr_1rws 1
. 1 . 392 . 1 1 65 GLY O O 7.406 0.691 -4.140 . . . 1.0 . . . . . . . . . . . . A . 57 GLY O . . . . . . . . . rr_1rws 1
. 1 . 393 . 1 1 66 ASP C C 6.506 0.224 -6.974 . . . 1.0 . . . . . . . . . . . . A . 58 ASP C . . . . . . . . . rr_1rws 1
. 1 . 394 . 1 1 66 ASP CA C 7.324 -0.901 -6.344 . . . 1.0 . . . . . . . . . . . . A . 58 ASP CA . . . . . . . . . rr_1rws 1
. 1 . 395 . 1 1 66 ASP CB C 7.281 -2.136 -7.240 . . . 1.0 . . . . . . . . . . . . A . 58 ASP CB . . . . . . . . . rr_1rws 1
. 1 . 396 . 1 1 66 ASP H H 6.010 -1.894 -4.957 . . . 1.0 . . . . . . . . . . . . A . 58 ASP H . . . . . . . . . rr_1rws 1
. 1 . 397 . 1 1 66 ASP HA H 8.348 -0.587 -6.205 . . . 1.0 . . . . . . . . . . . . A . 58 ASP HA . . . . . . . . . rr_1rws 1
. 1 . 398 . 1 1 66 ASP N N 6.691 -1.199 -5.020 . . . 1.0 . . . . . . . . . . . . A . 58 ASP N . . . . . . . . . rr_1rws 1
. 1 . 399 . 1 1 66 ASP O O 5.410 0.489 -6.520 . . . 1.0 . . . . . . . . . . . . A . 58 ASP O . . . . . . . . . rr_1rws 1
. 1 . 400 . 1 1 67 PHE C C 5.222 1.567 -9.170 . . . 1.0 . . . . . . . . . . . . A . 59 PHE C . . . . . . . . . rr_1rws 1
. 1 . 401 . 1 1 67 PHE CA C 6.179 2.206 -8.183 . . . 1.0 . . . . . . . . . . . . A . 59 PHE CA . . . . . . . . . rr_1rws 1
. 1 . 402 . 1 1 67 PHE CB C 7.013 3.285 -8.878 . . . 1.0 . . . . . . . . . . . . A . 59 PHE CB . . . . . . . . . rr_1rws 1
. 1 . 403 . 1 1 67 PHE H H 7.967 0.873 -8.208 . . . 1.0 . . . . . . . . . . . . A . 59 PHE H . . . . . . . . . rr_1rws 1
. 1 . 404 . 1 1 67 PHE HA H 5.784 2.582 -7.220 . . . 1.0 . . . . . . . . . . . . A . 59 PHE HA . . . . . . . . . rr_1rws 1
. 1 . 405 . 1 1 67 PHE N N 7.037 1.020 -7.866 . . . 1.0 . . . . . . . . . . . . A . 59 PHE N . . . . . . . . . rr_1rws 1
. 1 . 406 . 1 1 67 PHE O O 5.045 0.366 -9.220 . . . 1.0 . . . . . . . . . . . . A . 59 PHE O . . . . . . . . . rr_1rws 1
. 1 . 407 . 1 1 68 VAL C C 5.194 2.765 -12.608 . . . 1.0 . . . . . . . . . . . . A . 60 VAL C . . . . . . . . . rr_1rws 1
. 1 . 408 . 1 1 68 VAL CA C 4.599 1.825 -11.525 . . . 1.0 . . . . . . . . . . . . A . 60 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 409 . 1 1 68 VAL CB C 3.070 1.821 -11.633 . . . 1.0 . . . . . . . . . . . . A . 60 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 410 . 1 1 68 VAL H H 5.303 3.234 -9.982 . . . 1.0 . . . . . . . . . . . . A . 60 VAL H . . . . . . . . . rr_1rws 1
. 1 . 411 . 1 1 68 VAL HA H 4.951 0.805 -11.595 . . . 1.0 . . . . . . . . . . . . A . 60 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 412 . 1 1 68 VAL N N 5.056 2.326 -10.191 . . . 1.0 . . . . . . . . . . . . A . 60 VAL N . . . . . . . . . rr_1rws 1
. 1 . 413 . 1 1 68 VAL O O 5.001 3.959 -12.497 . . . 1.0 . . . . . . . . . . . . A . 60 VAL O . . . . . . . . . rr_1rws 1
. 1 . 414 . 1 1 69 GLU C C 5.306 2.971 -16.049 . . . 1.0 . . . . . . . . . . . . A . 61 GLU C . . . . . . . . . rr_1rws 1
. 1 . 415 . 1 1 69 GLU CA C 6.177 3.268 -14.823 . . . 1.0 . . . . . . . . . . . . A . 61 GLU CA . . . . . . . . . rr_1rws 1
. 1 . 416 . 1 1 69 GLU CB C 7.643 3.022 -15.185 . . . 1.0 . . . . . . . . . . . . A . 61 GLU CB . . . . . . . . . rr_1rws 1
. 1 . 417 . 1 1 69 GLU H H 6.098 1.411 -13.790 . . . 1.0 . . . . . . . . . . . . A . 61 GLU H . . . . . . . . . rr_1rws 1
. 1 . 418 . 1 1 69 GLU HA H 6.051 4.305 -14.558 . . . 1.0 . . . . . . . . . . . . A . 61 GLU HA . . . . . . . . . rr_1rws 1
. 1 . 419 . 1 1 69 GLU N N 5.788 2.335 -13.713 . . . 1.0 . . . . . . . . . . . . A . 61 GLU N . . . . . . . . . rr_1rws 1
. 1 . 420 . 1 1 69 GLU O O 5.269 1.858 -16.535 . . . 1.0 . . . . . . . . . . . . A . 61 GLU O . . . . . . . . . rr_1rws 1
. 1 . 421 . 1 1 70 VAL C C 3.838 4.883 -18.765 . . . 1.0 . . . . . . . . . . . . A . 62 VAL C . . . . . . . . . rr_1rws 1
. 1 . 422 . 1 1 70 VAL CA C 3.824 3.697 -17.804 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 423 . 1 1 70 VAL CB C 2.385 3.356 -17.412 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 424 . 1 1 70 VAL H H 4.691 4.855 -16.185 . . . 1.0 . . . . . . . . . . . . A . 62 VAL H . . . . . . . . . rr_1rws 1
. 1 . 425 . 1 1 70 VAL HA H 4.277 2.858 -18.300 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 426 . 1 1 70 VAL N N 4.637 3.961 -16.581 . . . 1.0 . . . . . . . . . . . . A . 62 VAL N . . . . . . . . . rr_1rws 1
. 1 . 427 . 1 1 70 VAL O O 3.346 5.954 -18.470 . . . 1.0 . . . . . . . . . . . . A . 62 VAL O . . . . . . . . . rr_1rws 1
. 1 . 428 . 1 1 71 ILE C C 5.710 5.550 -21.805 . . . 1.0 . . . . . . . . . . . . A . 63 ILE C . . . . . . . . . rr_1rws 1
. 1 . 429 . 1 1 71 ILE CA C 4.505 5.798 -20.891 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CA . . . . . . . . . rr_1rws 1
. 1 . 430 . 1 1 71 ILE CB C 4.665 7.138 -20.170 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CB . . . . . . . . . rr_1rws 1
. 1 . 431 . 1 1 71 ILE H H 4.824 3.799 -20.120 . . . 1.0 . . . . . . . . . . . . A . 63 ILE H . . . . . . . . . rr_1rws 1
. 1 . 432 . 1 1 71 ILE HA H 3.625 5.827 -21.516 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HA . . . . . . . . . rr_1rws 1
. 1 . 433 . 1 1 71 ILE N N 4.421 4.682 -19.911 . . . 1.0 . . . . . . . . . . . . A . 63 ILE N . . . . . . . . . rr_1rws 1
. 1 . 434 . 1 1 71 ILE O O 6.647 4.870 -21.438 . . . 1.0 . . . . . . . . . . . . A . 63 ILE O . . . . . . . . . rr_1rws 1
. 1 . 435 . 1 1 72 PRO C C 8.070 5.639 -23.547 . . . 1.0 . . . . . . . . . . . . A . 64 PRO C . . . . . . . . . rr_1rws 1
. 1 . 436 . 1 1 72 PRO CA C 6.642 5.767 -24.083 . . . 1.0 . . . . . . . . . . . . A . 64 PRO CA . . . . . . . . . rr_1rws 1
. 1 . 437 . 1 1 72 PRO CB C 6.508 7.011 -24.961 . . . 1.0 . . . . . . . . . . . . A . 64 PRO CB . . . . . . . . . rr_1rws 1
. 1 . 438 . 1 1 72 PRO HA H 6.380 4.889 -24.654 . . . 1.0 . . . . . . . . . . . . A . 64 PRO HA . . . . . . . . . rr_1rws 1
. 1 . 439 . 1 1 72 PRO N N 5.623 6.012 -23.025 . . . 1.0 . . . . . . . . . . . . A . 64 PRO N . . . . . . . . . rr_1rws 1
. 1 . 440 . 1 1 72 PRO O O 8.891 6.518 -23.719 . . . 1.0 . . . . . . . . . . . . A . 64 PRO O . . . . . . . . . rr_1rws 1
. 1 . 441 . 1 1 73 VAL C C 10.819 4.424 -23.315 . . . 1.0 . . . . . . . . . . . . A . 65 VAL C . . . . . . . . . rr_1rws 1
. 1 . 442 . 1 1 73 VAL CA C 9.708 4.386 -22.255 . . . 1.0 . . . . . . . . . . . . A . 65 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 443 . 1 1 73 VAL CB C 9.745 3.018 -21.572 . . . 1.0 . . . . . . . . . . . . A . 65 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 444 . 1 1 73 VAL H H 7.667 3.900 -22.668 . . . 1.0 . . . . . . . . . . . . A . 65 VAL H . . . . . . . . . rr_1rws 1
. 1 . 445 . 1 1 73 VAL HA H 9.874 5.141 -21.506 . . . 1.0 . . . . . . . . . . . . A . 65 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 446 . 1 1 73 VAL N N 8.358 4.569 -22.858 . . . 1.0 . . . . . . . . . . . . A . 65 VAL N . . . . . . . . . rr_1rws 1
. 1 . 447 . 1 1 73 VAL O O 11.505 3.437 -23.497 . . . 1.0 . . . . . . . . . . . . A . 65 VAL O . . . . . . . . . rr_1rws 1
. 1 . 448 . 1 1 74 VAL C C 13.347 6.227 -24.496 . . . 1.0 . . . . . . . . . . . . A . 66 VAL C . . . . . . . . . rr_1rws 1
. 1 . 449 . 1 1 74 VAL CA C 12.124 5.493 -25.052 . . . 1.0 . . . . . . . . . . . . A . 66 VAL CA . . . . . . . . . rr_1rws 1
. 1 . 450 . 1 1 74 VAL CB C 11.638 6.212 -26.312 . . . 1.0 . . . . . . . . . . . . A . 66 VAL CB . . . . . . . . . rr_1rws 1
. 1 . 451 . 1 1 74 VAL H H 10.483 6.307 -23.950 . . . 1.0 . . . . . . . . . . . . A . 66 VAL H . . . . . . . . . rr_1rws 1
. 1 . 452 . 1 1 74 VAL HA H 12.384 4.475 -25.301 . . . 1.0 . . . . . . . . . . . . A . 66 VAL HA . . . . . . . . . rr_1rws 1
. 1 . 453 . 1 1 74 VAL N N 11.038 5.505 -24.032 . . . 1.0 . . . . . . . . . . . . A . 66 VAL N . . . . . . . . . rr_1rws 1
. 1 . 454 . 1 1 74 VAL O O 13.535 7.403 -24.738 . . . 1.0 . . . . . . . . . . . . A . 66 VAL O . . . . . . . . . rr_1rws 1
. 1 . 455 . 1 1 75 SER C C 16.371 6.491 -24.255 . . . 1.0 . . . . . . . . . . . . A . 67 SER C . . . . . . . . . rr_1rws 1
. 1 . 456 . 1 1 75 SER CA C 15.355 6.243 -23.140 . . . 1.0 . . . . . . . . . . . . A . 67 SER CA . . . . . . . . . rr_1rws 1
. 1 . 457 . 1 1 75 SER CB C 15.981 5.344 -22.071 . . . 1.0 . . . . . . . . . . . . A . 67 SER CB . . . . . . . . . rr_1rws 1
. 1 . 458 . 1 1 75 SER H H 14.001 4.612 -23.530 . . . 1.0 . . . . . . . . . . . . A . 67 SER H . . . . . . . . . rr_1rws 1
. 1 . 459 . 1 1 75 SER HA H 15.066 7.191 -22.693 . . . 1.0 . . . . . . . . . . . . A . 67 SER HA . . . . . . . . . rr_1rws 1
. 1 . 460 . 1 1 75 SER N N 14.167 5.559 -23.730 . . . 1.0 . . . . . . . . . . . . A . 67 SER N . . . . . . . . . rr_1rws 1
. 1 . 461 . 1 1 75 SER O O 16.951 5.572 -24.798 . . . 1.0 . . . . . . . . . . . . A . 67 SER O . . . . . . . . . rr_1rws 1
. 1 . 462 . 1 1 76 GLY C C 17.701 9.560 -25.819 . . . 1.0 . . . . . . . . . . . . A . 68 GLY C . . . . . . . . . rr_1rws 1
. 1 . 463 . 1 1 76 GLY CA C 17.565 8.043 -25.679 . . . 1.0 . . . . . . . . . . . . A . 68 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 464 . 1 1 76 GLY H H 16.086 8.449 -24.166 . . . 1.0 . . . . . . . . . . . . A . 68 GLY H . . . . . . . . . rr_1rws 1
. 1 . 465 . 1 1 76 GLY HA2 H 18.526 7.616 -25.430 . . . 1.0 . . . . . . . . . . . . A . 68 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 466 . 1 1 76 GLY HA3 H 17.216 7.626 -26.612 . . . 1.0 . . . . . . . . . . . . A . 68 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 467 . 1 1 76 GLY N N 16.588 7.728 -24.599 . . . 1.0 . . . . . . . . . . . . A . 68 GLY N . . . . . . . . . rr_1rws 1
. 1 . 468 . 1 1 76 GLY O O 18.521 10.053 -26.567 . . . 1.0 . . . . . . . . . . . . A . 68 GLY O . . . . . . . . . rr_1rws 1
. 1 . 469 . 1 1 77 GLY C C 18.095 12.297 -24.273 . . . 1.0 . . . . . . . . . . . . A . 69 GLY C . . . . . . . . . rr_1rws 1
. 1 . 470 . 1 1 77 GLY CA C 16.988 11.790 -25.199 . . . 1.0 . . . . . . . . . . . . A . 69 GLY CA . . . . . . . . . rr_1rws 1
. 1 . 471 . 1 1 77 GLY H H 16.246 9.891 -24.506 . . . 1.0 . . . . . . . . . . . . A . 69 GLY H . . . . . . . . . rr_1rws 1
. 1 . 472 . 1 1 77 GLY HA2 H 17.211 12.073 -26.217 . . . 1.0 . . . . . . . . . . . . A . 69 GLY HA2 . . . . . . . . . rr_1rws 1
. 1 . 473 . 1 1 77 GLY HA3 H 16.045 12.225 -24.902 . . . 1.0 . . . . . . . . . . . . A . 69 GLY HA3 . . . . . . . . . rr_1rws 1
. 1 . 474 . 1 1 77 GLY N N 16.902 10.305 -25.104 . . . 1.0 . . . . . . . . . . . . A . 69 GLY N . . . . . . . . . rr_1rws 1
. 1 . 475 . 1 1 77 GLY O O 18.032 13.451 -23.884 . . . 1.0 . . . . . . . . . . . . A . 69 GLY O . . . . . . . . . rr_1rws 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_1rws
_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 1rws.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 3 distance NOE simple 89 rr_1rws 1
1 1rws.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 21 rr_1rws 1
1 1rws.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 380 rr_1rws 1
1 1rws.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1rws 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_1rws
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '1rws'" . . . . distance "general distance" . 89 rr_1rws 1
2 "From CCPN project: '1rws'" . . . . "dihedral angle" "Not applicable" . 21 rr_1rws 1
3 "From CCPN project: '1rws'" . . . . rdc "Not applicable" . 378 rr_1rws 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1rws.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 3 distance NOE simple 89 rr_1rws 1
1 1rws.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 21 rr_1rws 1
1 1rws.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 rr_1rws 1
1 1rws.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 380 rr_1rws 1
1 1rws.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1rws 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1rws
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1rws 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 52 52 ASN H H . . . 1 1 51 51 VAL HA H . . . . . 2.7 1.8 2.9 . . . . . A . 44 ASN H . . A . 43 VAL HA . . . 44 . HN . . . . . 43 . HA . . rr_1rws 1
2 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 ASN HA H . . . . . 2.7 1.8 2.9 . . . . . A . 45 GLY H . . A . 44 ASN HA . . . 45 . HN . . . . . 44 . HA . . rr_1rws 1
3 1 . . 1 1 68 68 VAL H H . . . 1 1 67 67 PHE HA H . . . . . 2.7 1.8 2.9 . . . . . A . 60 VAL H . . A . 59 PHE HA . . . 60 . HN . . . . . 59 . HA . . rr_1rws 1
4 1 . . 1 1 71 71 ILE H H . . . 1 1 70 70 VAL HA H . . . . . 2.7 1.8 2.9 . . . . . A . 63 ILE H . . A . 62 VAL HA . . . 63 . HN . . . . . 62 . HA . . rr_1rws 1
5 1 . . 1 1 12 12 ILE H H . . . 1 1 11 11 MET HA H . . . . . 2.7 1.8 2.9 . . . . . A . 4 ILE H . . A . 3 MET HA . . . 4 . HN . . . . . 3 . HA . . rr_1rws 1
6 1 . . 1 1 32 32 LYS H H . . . 1 1 31 31 MET HA H . . . . . 2.7 1.8 2.9 . . . . . A . 24 LYS H . . A . 23 MET HA . . . 24 . HN . . . . . 23 . HA . . rr_1rws 1
7 1 . . 1 1 49 49 ALA H H . . . 1 1 48 48 ILE HA H . . . . . 2.7 1.8 2.9 . . . . . A . 41 ALA H . . A . 40 ILE HA . . . 41 . HN . . . . . 40 . HA . . rr_1rws 1
8 1 . . 1 1 70 70 VAL H H . . . 1 1 69 69 GLU HA H . . . . . 2.7 1.8 2.9 . . . . . A . 62 VAL H . . A . 61 GLU HA . . . 62 . HN . . . . . 61 . HA . . rr_1rws 1
9 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 LYS HA H . . . . . 2.7 1.8 2.9 . . . . . A . 6 VAL H . . A . 5 LYS HA . . . 6 . HN . . . . . 5 . HA . . rr_1rws 1
10 1 . . 1 1 33 33 VAL H H . . . 1 1 32 32 LYS HA H . . . . . 2.7 1.8 2.9 . . . . . A . 25 VAL H . . A . 24 LYS HA . . . 25 . HN . . . . . 24 . HA . . rr_1rws 1
11 1 . . 1 1 67 67 PHE HA H . . . 1 1 13 13 LYS H H . . . . . 3.3 1.8 3.5 . . . . . A . 5 LYS H . . A . 59 PHE HA . . . 5 . HN . . . . . 59 . HA . . rr_1rws 1
12 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 ILE HA H . . . . . 2.7 1.8 2.9 . . . . . A . 5 LYS H . . A . 4 ILE HA . . . 5 . HN . . . . . 4 . HA . . rr_1rws 1
13 1 . . 1 1 47 47 ALA H H . . . 1 1 46 46 SER HA H . . . . . 2.7 1.8 2.9 . . . . . A . 39 ALA H . . A . 38 SER HA . . . 39 . HN . . . . . 38 . HA . . rr_1rws 1
14 1 . . 1 1 56 56 VAL H H . . . 1 1 55 55 VAL HA H . . . . . 2.7 1.8 2.9 . . . . . A . 48 VAL H . . A . 47 VAL HA . . . 48 . HN . . . . . 47 . HA . . rr_1rws 1
15 1 . . 1 1 56 56 VAL H H . . . 1 1 50 50 LYS HA H . . . . . 3.3 1.8 3.5 . . . . . A . 48 VAL H . . A . 42 LYS HA . . . 48 . HN . . . . . 42 . HA . . rr_1rws 1
16 1 . . 1 1 67 67 PHE H H . . . 1 1 66 66 ASP HA H . . . . . 2.7 1.8 2.9 . . . . . A . 59 PHE H . . A . 58 ASP HA . . . 59 . HN . . . . . 58 . HA . . rr_1rws 1
17 1 . . 1 1 32 32 LYS HA H . . . 1 1 61 61 GLU H H . . . . . 5.0 1.8 5.2 . . . . . A . 53 GLU H . . A . 24 LYS HA . . . 53 . HN . . . . . 24 . HA . . rr_1rws 1
18 1 . . 1 1 11 11 MET H H . . . 1 1 10 10 LYS HA H . . . . . 2.7 1.8 2.9 . . . . . A . 3 MET H . . A . 2 LYS HA . . . 3 . HN . . . . . 2 . HA . . rr_1rws 1
19 1 . . 1 1 42 42 PHE H H . . . 1 1 39 39 ALA HA H . . . . . 5.0 1.8 5.2 . . . . . A . 34 PHE H . . A . 31 ALA HA . . . 34 . HN . . . . . 31 . HA . . rr_1rws 1
20 1 . . 1 1 42 42 PHE H H . . . 1 1 41 41 GLY HA2 H . . . . . 3.3 1.8 3.5 . . . . . A . 34 PHE H . . A . 33 GLY HA2 . . . 34 . HN . . . . . 33 . HA1 . . rr_1rws 1
21 1 . . 1 1 42 42 PHE H H . . . 1 1 41 41 GLY HA3 H . . . . . 3.3 1.8 3.5 . . . . . A . 34 PHE H . . A . 33 GLY HA3 . . . 34 . HN . . . . . 33 . HA2 . . rr_1rws 1
22 1 . . 1 1 50 50 LYS H H . . . 1 1 49 49 ALA HA H . . . . . 2.7 1.8 2.9 . . . . . A . 42 LYS H . . A . 41 ALA HA . . . 42 . HN . . . . . 41 . HA . . rr_1rws 1
23 1 . . 1 1 48 48 ILE H H . . . 1 1 47 47 ALA HA H . . . . . 3.3 1.8 3.5 . . . . . A . 40 ILE H . . A . 39 ALA HA . . . 40 . HN . . . . . 39 . HA . . rr_1rws 1
24 1 . . 1 1 34 34 ARG H H . . . 1 1 33 33 VAL HA H . . . . . 3.3 1.8 3.5 . . . . . A . 26 ARG H . . A . 25 VAL HA . . . 26 . HN . . . . . 25 . HA . . rr_1rws 1
25 1 . . 1 1 34 34 ARG H H . . . 1 1 59 59 ASP HA H . . . . . 3.3 1.8 3.5 . . . . . A . 26 ARG H . . A . 51 ASP HA . . . 26 . HN . . . . . 51 . HA . . rr_1rws 1
26 1 . . 1 1 30 30 GLY H H . . . 1 1 29 29 GLU HA H . . . . . 2.7 1.8 2.9 . . . . . A . 22 GLY H . . A . 21 GLU HA . . . 22 . HN . . . . . 21 . HA . . rr_1rws 1
27 1 . . 1 1 44 44 THR H H . . . 1 1 43 43 ASN HA H . . . . . 2.7 1.8 2.9 . . . . . A . 36 THR H . . A . 35 ASN HA . . . 36 . HN . . . . . 35 . HA . . rr_1rws 1
28 1 . . 1 1 65 65 GLY H H . . . 1 1 64 64 ASP HA H . . . . . 2.7 1.8 2.9 . . . . . A . 57 GLY H . . A . 56 ASP HA . . . 57 . HN . . . . . 56 . HA . . rr_1rws 1
29 1 . . 1 1 46 46 SER H H . . . 1 1 45 45 GLU HA H . . . . . 2.7 1.8 2.9 . . . . . A . 38 SER H . . A . 37 GLU HA . . . 38 . HN . . . . . 37 . HA . . rr_1rws 1
30 1 . . 1 1 59 59 ASP H H . . . 1 1 58 58 GLU HA H . . . . . 3.3 1.8 3.5 . . . . . A . 51 ASP H . . A . 50 GLU HA . . . 51 . HN . . . . . 50 . HA . . rr_1rws 1
31 1 . . 1 1 62 62 VAL H H . . . 1 1 61 61 GLU HA H . . . . . 2.7 1.8 2.9 . . . . . A . 54 VAL H . . A . 53 GLU HA . . . 54 . HN . . . . . 53 . HA . . rr_1rws 1
32 1 . . 1 1 36 36 ILE H H . . . 1 1 35 35 ASP HA H . . . . . 5.0 1.8 5.2 . . . . . A . 28 ILE H . . A . 27 ASP HA . . . 28 . HN . . . . . 27 . HA . . rr_1rws 1
33 1 . . 1 1 31 31 MET H H . . . 1 1 30 30 GLY HA3 H . . . . . 3.3 1.8 3.5 . . . . . A . 23 MET H . . A . 22 GLY HA3 . . . 23 . HN . . . . . 22 . HA2 . . rr_1rws 1
34 1 . . 1 1 39 39 ALA H H . . . 1 1 36 36 ILE HA H . . . . . 3.3 1.8 3.5 . . . . . A . 31 ALA H . . A . 28 ILE HA . . . 31 . HN . . . . . 28 . HA . . rr_1rws 1
35 1 . . 1 1 54 54 LYS H H . . . 1 1 53 53 GLY HA2 H . . . . . 2.7 1.8 2.9 . . . . . A . 46 LYS H . . A . 45 GLY HA2 . . . 46 . HN . . . . . 45 . HA1 . . rr_1rws 1
36 1 . . 1 1 54 54 LYS H H . . . 1 1 53 53 GLY HA3 H . . . . . 3.3 1.8 3.5 . . . . . A . 46 LYS H . . A . 45 GLY HA3 . . . 46 . HN . . . . . 45 . HA2 . . rr_1rws 1
37 1 . . 1 1 66 66 ASP H H . . . 1 1 65 65 GLY HA2 H . . . . . 3.3 1.8 3.5 . . . . . A . 58 ASP H . . A . 57 GLY HA2 . . . 58 . HN . . . . . 57 . HA1 . . rr_1rws 1
38 1 . . 1 1 66 66 ASP H H . . . 1 1 65 65 GLY HA3 H . . . . . 3.3 1.8 3.5 . . . . . A . 58 ASP H . . A . 57 GLY HA3 . . . 58 . HN . . . . . 57 . HA2 . . rr_1rws 1
39 1 . . 1 1 64 64 ASP HA H . . . 1 1 66 66 ASP H H . . . . . 5.0 1.8 5.2 . . . . . A . 58 ASP H . . A . 56 ASP HA . . . 58 . HN . . . . . 56 . HA . . rr_1rws 1
40 1 . . 1 1 29 29 GLU H H . . . 1 1 28 28 ARG HA H . . . . . 3.3 1.8 3.5 . . . . . A . 21 GLU H . . A . 20 ARG HA . . . 21 . HN . . . . . 20 . HA . . rr_1rws 1
41 1 . . 1 1 32 32 LYS HA H . . . 1 1 35 35 ASP H H . . . . . 5.0 1.8 5.2 . . . . . A . 27 ASP H . . A . 24 LYS HA . . . 27 . HN . . . . . 24 . HA . . rr_1rws 1
42 1 . . 1 1 38 38 ARG H H . . . 1 1 37 37 LEU HA H . . . . . 3.3 1.8 3.5 . . . . . A . 30 ARG H . . A . 29 LEU HA . . . 30 . HN . . . . . 29 . HA . . rr_1rws 1
43 1 . . 1 1 35 35 ASP HA H . . . 1 1 38 38 ARG H H . . . . . 3.3 1.8 3.5 . . . . . A . 30 ARG H . . A . 27 ASP HA . . . 30 . HN . . . . . 27 . HA . . rr_1rws 1
44 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 GLY HA2 H . . . . . 3.3 1.8 3.5 . . . . . A . 11 ARG H . . A . 10 GLY HA2 . . . 11 . HN . . . . . 10 . HA1 . . rr_1rws 1
45 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 GLY HA3 H . . . . . 3.3 1.8 3.5 . . . . . A . 11 ARG H . . A . 10 GLY HA3 . . . 11 . HN . . . . . 10 . HA2 . . rr_1rws 1
46 1 . . 1 1 21 21 ILE H H . . . 1 1 20 20 ASN HA H . . . . . 2.7 1.8 2.9 . . . . . A . 13 ILE H . . A . 12 ASN HA . . . 13 . HN . . . . . 12 . HA . . rr_1rws 1
47 1 . . 1 1 39 39 ALA HA H . . . 1 1 40 40 VAL H H . . . . . 3.3 1.8 3.5 . . . . . A . 32 VAL H . . A . 31 ALA HA . . . 32 . HN . . . . . 31 . HA . . rr_1rws 1
48 1 . . 1 1 41 41 GLY H H . . . 1 1 38 38 ARG HA H . . . . . 3.3 1.8 3.5 . . . . . A . 33 GLY H . . A . 30 ARG HA . . . 33 . HN . . . . . 30 . HA . . rr_1rws 1
49 1 . . 1 1 41 41 GLY H H . . . 1 1 40 40 VAL HA H . . . . . 3.3 1.8 3.5 . . . . . A . 33 GLY H . . A . 32 VAL HA . . . 33 . HN . . . . . 32 . HA . . rr_1rws 1
50 1 . . 1 1 74 74 VAL H H . . . 1 1 73 73 VAL HA H . . . . . 2.7 1.8 2.9 . . . . . A . 66 VAL H . . A . 65 VAL HA . . . 66 . HN . . . . . 65 . HA . . rr_1rws 1
51 1 . . 1 1 75 75 SER H H . . . 1 1 74 74 VAL HA H . . . . . 2.7 1.8 2.9 . . . . . A . 67 SER H . . A . 66 VAL HA . . . 67 . HN . . . . . 66 . HA . . rr_1rws 1
52 1 . . 1 1 76 76 GLY H H . . . 1 1 75 75 SER HA H . . . . . 3.3 1.8 3.5 . . . . . A . 68 GLY H . . A . 67 SER HA . . . 68 . HN . . . . . 67 . HA . . rr_1rws 1
53 1 . . 1 1 52 52 ASN H H . . . 1 1 51 51 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 44 ASN H . . A . 43 VAL H . . . 44 . HN . . . . . 43 . HN . . rr_1rws 1
54 1 . . 1 1 52 52 ASN H H . . . 1 1 67 67 PHE H H . . . . . 5.0 1.8 5.4 . . . . . A . 44 ASN H . . A . 59 PHE H . . . 44 . HN . . . . . 59 . HN . . rr_1rws 1
55 1 . . 1 1 52 52 ASN H H . . . 1 1 53 53 GLY H H . . . . . 3.3 1.8 3.7 . . . . . A . 44 ASN H . . A . 45 GLY H . . . 44 . HN . . . . . 45 . HN . . rr_1rws 1
56 1 . . 1 1 53 53 GLY H H . . . 1 1 54 54 LYS H H . . . . . 3.3 1.8 3.7 . . . . . A . 45 GLY H . . A . 46 LYS H . . . 45 . HN . . . . . 46 . HN . . rr_1rws 1
57 1 . . 1 1 62 62 VAL H H . . . 1 1 63 63 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 55 LYS H . . A . 54 VAL H . . . 55 . HN . . . . . 54 . HN . . rr_1rws 1
58 1 . . 1 1 63 63 LYS H H . . . 1 1 64 64 ASP H H . . . . . 5.0 1.8 5.4 . . . . . A . 55 LYS H . . A . 56 ASP H . . . 55 . HN . . . . . 56 . HN . . rr_1rws 1
59 1 . . 1 1 12 12 ILE H H . . . 1 1 13 13 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 4 ILE H . . A . 5 LYS H . . . 4 . HN . . . . . 5 . HN . . rr_1rws 1
60 1 . . 1 1 32 32 LYS H H . . . 1 1 31 31 MET H H . . . . . 5.0 1.8 5.4 . . . . . A . 24 LYS H . . A . 23 MET H . . . 24 . HN . . . . . 23 . HN . . rr_1rws 1
61 1 . . 1 1 11 11 MET H H . . . 1 1 10 10 LYS H H . . . . . 2.7 1.8 3.1 . . . . . A . 2 LYS H . . A . 3 MET H . . . 2 . HN . . . . . 3 . HN . . rr_1rws 1
62 1 . . 1 1 70 70 VAL H H . . . 1 1 15 15 LYS H H . . . . . 3.3 1.8 3.7 . . . . . A . 62 VAL H . . A . 7 LYS H . . . 62 . HN . . . . . 7 . HN . . rr_1rws 1
63 1 . . 1 1 14 14 VAL H H . . . 1 1 15 15 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 6 VAL H . . A . 7 LYS H . . . 6 . HN . . . . . 7 . HN . . rr_1rws 1
64 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 6 VAL H . . A . 5 LYS H . . . 6 . HN . . . . . 5 . HN . . rr_1rws 1
65 1 . . 1 1 33 33 VAL H H . . . 1 1 62 62 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 25 VAL H . . A . 54 VAL H . . . 25 . HN . . . . . 54 . HN . . rr_1rws 1
66 1 . . 1 1 54 54 LYS H H . . . 1 1 55 55 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 47 VAL H . . A . 46 LYS H . . . 47 . HN . . . . . 46 . HN . . rr_1rws 1
67 1 . . 1 1 49 49 ALA H H . . . 1 1 56 56 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 48 VAL H . . A . 41 ALA H . . . 48 . HN . . . . . 41 . HN . . rr_1rws 1
68 1 . . 1 1 56 56 VAL H H . . . 1 1 51 51 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 48 VAL H . . A . 43 VAL H . . . 48 . HN . . . . . 43 . HN . . rr_1rws 1
69 1 . . 1 1 61 61 GLU H H . . . 1 1 62 62 VAL H H . . . . . 5.0 1.8 5.4 . . . . . A . 53 GLU H . . A . 54 VAL H . . . 53 . HN . . . . . 54 . HN . . rr_1rws 1
70 1 . . 1 1 61 61 GLU H H . . . 1 1 60 60 ASP H H . . . . . 5.0 1.8 5.4 . . . . . A . 53 GLU H . . A . 52 ASP H . . . 53 . HN . . . . . 52 . HN . . rr_1rws 1
71 1 . . 1 1 42 42 PHE H H . . . 1 1 43 43 ASN H H . . . . . 3.3 1.8 3.7 . . . . . A . 34 PHE H . . A . 35 ASN H . . . 34 . HN . . . . . 35 . HN . . rr_1rws 1
72 1 . . 1 1 42 42 PHE H H . . . 1 1 40 40 VAL H H . . . . . 3.3 1.8 3.7 . . . . . A . 34 PHE H . . A . 32 VAL H . . . 34 . HN . . . . . 32 . HN . . rr_1rws 1
73 1 . . 1 1 42 42 PHE H H . . . 1 1 41 41 GLY H H . . . . . 2.7 1.8 3.1 . . . . . A . 34 PHE H . . A . 33 GLY H . . . 34 . HN . . . . . 33 . HN . . rr_1rws 1
74 1 . . 1 1 46 46 SER H H . . . 1 1 45 45 GLU H H . . . . . 2.7 1.8 3.1 . . . . . A . 37 GLU H . . A . 38 SER H . . . 37 . HN . . . . . 38 . HN . . rr_1rws 1
75 1 . . 1 1 19 19 ARG H H . . . 1 1 20 20 ASN H H . . . . . 2.7 1.8 3.1 . . . . . A . 12 ASN H . . A . 11 ARG H . . . 12 . HN . . . . . 11 . HN . . rr_1rws 1
76 1 . . 1 1 21 21 ILE H H . . . 1 1 20 20 ASN H H . . . . . 3.3 1.8 3.7 . . . . . A . 12 ASN H . . A . 13 ILE H . . . 12 . HN . . . . . 13 . HN . . rr_1rws 1
77 1 . . 1 1 34 34 ARG H H . . . 1 1 35 35 ASP H H . . . . . 2.7 1.8 3.1 . . . . . A . 26 ARG H . . A . 27 ASP H . . . 26 . HN . . . . . 27 . HN . . rr_1rws 1
78 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 GLY H H . . . . . 2.7 1.8 3.1 . . . . . A . 10 GLY H . . A . 11 ARG H . . . 10 . HN . . . . . 11 . HN . . rr_1rws 1
79 1 . . 1 1 30 30 GLY H H . . . 1 1 31 31 MET H H . . . . . 2.7 1.8 3.1 . . . . . A . 22 GLY H . . A . 23 MET H . . . 22 . HN . . . . . 23 . HN . . rr_1rws 1
80 1 . . 1 1 59 59 ASP H H . . . 1 1 58 58 GLU H H . . . . . 3.3 1.8 3.7 . . . . . A . 50 GLU H . . A . 51 ASP H . . . 50 . HN . . . . . 51 . HN . . rr_1rws 1
81 1 . . 1 1 44 44 THR H H . . . 1 1 43 43 ASN H H . . . . . 3.3 1.8 3.7 . . . . . A . 36 THR H . . A . 35 ASN H . . . 36 . HN . . . . . 35 . HN . . rr_1rws 1
82 1 . . 1 1 65 65 GLY H H . . . 1 1 64 64 ASP H H . . . . . 5.0 1.8 5.4 . . . . . A . 57 GLY H . . A . 56 ASP H . . . 57 . HN . . . . . 56 . HN . . rr_1rws 1
83 1 . . 1 1 36 36 ILE H H . . . 1 1 37 37 LEU H H . . . . . 2.7 1.8 3.1 . . . . . A . 28 ILE H . . A . 29 LEU H . . . 28 . HN . . . . . 29 . HN . . rr_1rws 1
84 1 . . 1 1 39 39 ALA H H . . . 1 1 40 40 VAL H H . . . . . 2.7 1.8 3.1 . . . . . A . 31 ALA H . . A . 32 VAL H . . . 31 . HN . . . . . 32 . HN . . rr_1rws 1
85 1 . . 1 1 52 52 ASN H H . . . 1 1 54 54 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 46 LYS H . . A . 44 ASN H . . . 46 . HN . . . . . 44 . HN . . rr_1rws 1
86 1 . . 1 1 13 13 LYS H H . . . 1 1 66 66 ASP H H . . . . . 5.0 1.8 5.4 . . . . . A . 58 ASP H . . A . 5 LYS H . . . 58 . HN . . . . . 5 . HN . . rr_1rws 1
87 1 . . 1 1 66 66 ASP H H . . . 1 1 63 63 LYS H H . . . . . 5.0 1.8 5.4 . . . . . A . 58 ASP H . . A . 55 LYS H . . . 58 . HN . . . . . 55 . HN . . rr_1rws 1
88 1 . . 1 1 29 29 GLU H H . . . 1 1 28 28 ARG H H . . . . . 5.0 1.8 5.4 . . . . . A . 21 GLU H . . A . 20 ARG H . . . 21 . HN . . . . . 20 . HN . . rr_1rws 1
89 1 . . 1 1 54 54 LYS H H . . . 1 1 51 51 VAL H H . . . . . 3.3 1.8 3.7 . . . . . A . 43 VAL H . . A . 46 LYS H . . . 43 . HN . . . . . 46 . HN . . rr_1rws 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1rws
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1rws 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1rws 1
2 1 . . . rr_1rws 1
3 1 . . . rr_1rws 1
4 1 . . . rr_1rws 1
5 1 . . . rr_1rws 1
6 1 . . . rr_1rws 1
7 1 . . . rr_1rws 1
8 1 . . . rr_1rws 1
9 1 . . . rr_1rws 1
10 1 . . . rr_1rws 1
11 1 . . . rr_1rws 1
12 1 . . . rr_1rws 1
13 1 . . . rr_1rws 1
14 1 . . . rr_1rws 1
15 1 . . . rr_1rws 1
16 1 . . . rr_1rws 1
17 1 . . . rr_1rws 1
18 1 . . . rr_1rws 1
19 1 . . . rr_1rws 1
20 1 . . . rr_1rws 1
21 1 . . . rr_1rws 1
22 1 . . . rr_1rws 1
23 1 . . . rr_1rws 1
24 1 . . . rr_1rws 1
25 1 . . . rr_1rws 1
26 1 . . . rr_1rws 1
27 1 . . . rr_1rws 1
28 1 . . . rr_1rws 1
29 1 . . . rr_1rws 1
30 1 . . . rr_1rws 1
31 1 . . . rr_1rws 1
32 1 . . . rr_1rws 1
33 1 . . . rr_1rws 1
34 1 . . . rr_1rws 1
35 1 . . . rr_1rws 1
36 1 . . . rr_1rws 1
37 1 . . . rr_1rws 1
38 1 . . . rr_1rws 1
39 1 . . . rr_1rws 1
40 1 . . . rr_1rws 1
41 1 . . . rr_1rws 1
42 1 . . . rr_1rws 1
43 1 . . . rr_1rws 1
44 1 . . . rr_1rws 1
45 1 . . . rr_1rws 1
46 1 . . . rr_1rws 1
47 1 . . . rr_1rws 1
48 1 . . . rr_1rws 1
49 1 . . . rr_1rws 1
50 1 . . . rr_1rws 1
51 1 . . . rr_1rws 1
52 1 . . . rr_1rws 1
53 1 . . . rr_1rws 1
54 1 . . . rr_1rws 1
55 1 . . . rr_1rws 1
56 1 . . . rr_1rws 1
57 1 . . . rr_1rws 1
58 1 . . . rr_1rws 1
59 1 . . . rr_1rws 1
60 1 . . . rr_1rws 1
61 1 . . . rr_1rws 1
62 1 . . . rr_1rws 1
63 1 . . . rr_1rws 1
64 1 . . . rr_1rws 1
65 1 . . . rr_1rws 1
66 1 . . . rr_1rws 1
67 1 . . . rr_1rws 1
68 1 . . . rr_1rws 1
69 1 . . . rr_1rws 1
70 1 . . . rr_1rws 1
71 1 . . . rr_1rws 1
72 1 . . . rr_1rws 1
73 1 . . . rr_1rws 1
74 1 . . . rr_1rws 1
75 1 . . . rr_1rws 1
76 1 . . . rr_1rws 1
77 1 . . . rr_1rws 1
78 1 . . . rr_1rws 1
79 1 . . . rr_1rws 1
80 1 . . . rr_1rws 1
81 1 . . . rr_1rws 1
82 1 . . . rr_1rws 1
83 1 . . . rr_1rws 1
84 1 . . . rr_1rws 1
85 1 . . . rr_1rws 1
86 1 . . . rr_1rws 1
87 1 . . . rr_1rws 1
88 1 . . . rr_1rws 1
89 1 . . . rr_1rws 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 52 52 ASN H H . . . . 44 . HN rr_1rws 1
1 1 . 2 . 1 1 51 51 VAL HA H . . . . 43 . HA rr_1rws 1
2 1 . 1 . 1 1 53 53 GLY H H . . . . 45 . HN rr_1rws 1
2 1 . 2 . 1 1 52 52 ASN HA H . . . . 44 . HA rr_1rws 1
3 1 . 1 . 1 1 68 68 VAL H H . . . . 60 . HN rr_1rws 1
3 1 . 2 . 1 1 67 67 PHE HA H . . . . 59 . HA rr_1rws 1
4 1 . 1 . 1 1 71 71 ILE H H . . . . 63 . HN rr_1rws 1
4 1 . 2 . 1 1 70 70 VAL HA H . . . . 62 . HA rr_1rws 1
5 1 . 1 . 1 1 12 12 ILE H H . . . . 4 . HN rr_1rws 1
5 1 . 2 . 1 1 11 11 MET HA H . . . . 3 . HA rr_1rws 1
6 1 . 1 . 1 1 32 32 LYS H H . . . . 24 . HN rr_1rws 1
6 1 . 2 . 1 1 31 31 MET HA H . . . . 23 . HA rr_1rws 1
7 1 . 1 . 1 1 49 49 ALA H H . . . . 41 . HN rr_1rws 1
7 1 . 2 . 1 1 48 48 ILE HA H . . . . 40 . HA rr_1rws 1
8 1 . 1 . 1 1 70 70 VAL H H . . . . 62 . HN rr_1rws 1
8 1 . 2 . 1 1 69 69 GLU HA H . . . . 61 . HA rr_1rws 1
9 1 . 1 . 1 1 14 14 VAL H H . . . . 6 . HN rr_1rws 1
9 1 . 2 . 1 1 13 13 LYS HA H . . . . 5 . HA rr_1rws 1
10 1 . 1 . 1 1 33 33 VAL H H . . . . 25 . HN rr_1rws 1
10 1 . 2 . 1 1 32 32 LYS HA H . . . . 24 . HA rr_1rws 1
11 1 . 1 . 1 1 13 13 LYS H H . . . . 5 . HN rr_1rws 1
11 1 . 2 . 1 1 67 67 PHE HA H . . . . 59 . HA rr_1rws 1
12 1 . 1 . 1 1 13 13 LYS H H . . . . 5 . HN rr_1rws 1
12 1 . 2 . 1 1 12 12 ILE HA H . . . . 4 . HA rr_1rws 1
13 1 . 1 . 1 1 47 47 ALA H H . . . . 39 . HN rr_1rws 1
13 1 . 2 . 1 1 46 46 SER HA H . . . . 38 . HA rr_1rws 1
14 1 . 1 . 1 1 56 56 VAL H H . . . . 48 . HN rr_1rws 1
14 1 . 2 . 1 1 55 55 VAL HA H . . . . 47 . HA rr_1rws 1
15 1 . 1 . 1 1 56 56 VAL H H . . . . 48 . HN rr_1rws 1
15 1 . 2 . 1 1 50 50 LYS HA H . . . . 42 . HA rr_1rws 1
16 1 . 1 . 1 1 67 67 PHE H H . . . . 59 . HN rr_1rws 1
16 1 . 2 . 1 1 66 66 ASP HA H . . . . 58 . HA rr_1rws 1
17 1 . 1 . 1 1 61 61 GLU H H . . . . 53 . HN rr_1rws 1
17 1 . 2 . 1 1 32 32 LYS HA H . . . . 24 . HA rr_1rws 1
18 1 . 1 . 1 1 11 11 MET H H . . . . 3 . HN rr_1rws 1
18 1 . 2 . 1 1 10 10 LYS HA H . . . . 2 . HA rr_1rws 1
19 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
19 1 . 2 . 1 1 39 39 ALA HA H . . . . 31 . HA rr_1rws 1
20 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
20 1 . 2 . 1 1 41 41 GLY HA2 H . . . . 33 . HA1 rr_1rws 1
21 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
21 1 . 2 . 1 1 41 41 GLY HA3 H . . . . 33 . HA2 rr_1rws 1
22 1 . 1 . 1 1 50 50 LYS H H . . . . 42 . HN rr_1rws 1
22 1 . 2 . 1 1 49 49 ALA HA H . . . . 41 . HA rr_1rws 1
23 1 . 1 . 1 1 48 48 ILE H H . . . . 40 . HN rr_1rws 1
23 1 . 2 . 1 1 47 47 ALA HA H . . . . 39 . HA rr_1rws 1
24 1 . 1 . 1 1 34 34 ARG H H . . . . 26 . HN rr_1rws 1
24 1 . 2 . 1 1 33 33 VAL HA H . . . . 25 . HA rr_1rws 1
25 1 . 1 . 1 1 34 34 ARG H H . . . . 26 . HN rr_1rws 1
25 1 . 2 . 1 1 59 59 ASP HA H . . . . 51 . HA rr_1rws 1
26 1 . 1 . 1 1 30 30 GLY H H . . . . 22 . HN rr_1rws 1
26 1 . 2 . 1 1 29 29 GLU HA H . . . . 21 . HA rr_1rws 1
27 1 . 1 . 1 1 44 44 THR H H . . . . 36 . HN rr_1rws 1
27 1 . 2 . 1 1 43 43 ASN HA H . . . . 35 . HA rr_1rws 1
28 1 . 1 . 1 1 65 65 GLY H H . . . . 57 . HN rr_1rws 1
28 1 . 2 . 1 1 64 64 ASP HA H . . . . 56 . HA rr_1rws 1
29 1 . 1 . 1 1 46 46 SER H H . . . . 38 . HN rr_1rws 1
29 1 . 2 . 1 1 45 45 GLU HA H . . . . 37 . HA rr_1rws 1
30 1 . 1 . 1 1 59 59 ASP H H . . . . 51 . HN rr_1rws 1
30 1 . 2 . 1 1 58 58 GLU HA H . . . . 50 . HA rr_1rws 1
31 1 . 1 . 1 1 62 62 VAL H H . . . . 54 . HN rr_1rws 1
31 1 . 2 . 1 1 61 61 GLU HA H . . . . 53 . HA rr_1rws 1
32 1 . 1 . 1 1 36 36 ILE H H . . . . 28 . HN rr_1rws 1
32 1 . 2 . 1 1 35 35 ASP HA H . . . . 27 . HA rr_1rws 1
33 1 . 1 . 1 1 31 31 MET H H . . . . 23 . HN rr_1rws 1
33 1 . 2 . 1 1 30 30 GLY HA3 H . . . . 22 . HA2 rr_1rws 1
34 1 . 1 . 1 1 39 39 ALA H H . . . . 31 . HN rr_1rws 1
34 1 . 2 . 1 1 36 36 ILE HA H . . . . 28 . HA rr_1rws 1
35 1 . 1 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
35 1 . 2 . 1 1 53 53 GLY HA2 H . . . . 45 . HA1 rr_1rws 1
36 1 . 1 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
36 1 . 2 . 1 1 53 53 GLY HA3 H . . . . 45 . HA2 rr_1rws 1
37 1 . 1 . 1 1 66 66 ASP H H . . . . 58 . HN rr_1rws 1
37 1 . 2 . 1 1 65 65 GLY HA2 H . . . . 57 . HA1 rr_1rws 1
38 1 . 1 . 1 1 66 66 ASP H H . . . . 58 . HN rr_1rws 1
38 1 . 2 . 1 1 65 65 GLY HA3 H . . . . 57 . HA2 rr_1rws 1
39 1 . 1 . 1 1 66 66 ASP H H . . . . 58 . HN rr_1rws 1
39 1 . 2 . 1 1 64 64 ASP HA H . . . . 56 . HA rr_1rws 1
40 1 . 1 . 1 1 29 29 GLU H H . . . . 21 . HN rr_1rws 1
40 1 . 2 . 1 1 28 28 ARG HA H . . . . 20 . HA rr_1rws 1
41 1 . 1 . 1 1 35 35 ASP H H . . . . 27 . HN rr_1rws 1
41 1 . 2 . 1 1 32 32 LYS HA H . . . . 24 . HA rr_1rws 1
42 1 . 1 . 1 1 38 38 ARG H H . . . . 30 . HN rr_1rws 1
42 1 . 2 . 1 1 37 37 LEU HA H . . . . 29 . HA rr_1rws 1
43 1 . 1 . 1 1 38 38 ARG H H . . . . 30 . HN rr_1rws 1
43 1 . 2 . 1 1 35 35 ASP HA H . . . . 27 . HA rr_1rws 1
44 1 . 1 . 1 1 19 19 ARG H H . . . . 11 . HN rr_1rws 1
44 1 . 2 . 1 1 18 18 GLY HA2 H . . . . 10 . HA1 rr_1rws 1
45 1 . 1 . 1 1 19 19 ARG H H . . . . 11 . HN rr_1rws 1
45 1 . 2 . 1 1 18 18 GLY HA3 H . . . . 10 . HA2 rr_1rws 1
46 1 . 1 . 1 1 21 21 ILE H H . . . . 13 . HN rr_1rws 1
46 1 . 2 . 1 1 20 20 ASN HA H . . . . 12 . HA rr_1rws 1
47 1 . 1 . 1 1 40 40 VAL H H . . . . 32 . HN rr_1rws 1
47 1 . 2 . 1 1 39 39 ALA HA H . . . . 31 . HA rr_1rws 1
48 1 . 1 . 1 1 41 41 GLY H H . . . . 33 . HN rr_1rws 1
48 1 . 2 . 1 1 38 38 ARG HA H . . . . 30 . HA rr_1rws 1
49 1 . 1 . 1 1 41 41 GLY H H . . . . 33 . HN rr_1rws 1
49 1 . 2 . 1 1 40 40 VAL HA H . . . . 32 . HA rr_1rws 1
50 1 . 1 . 1 1 74 74 VAL H H . . . . 66 . HN rr_1rws 1
50 1 . 2 . 1 1 73 73 VAL HA H . . . . 65 . HA rr_1rws 1
51 1 . 1 . 1 1 75 75 SER H H . . . . 67 . HN rr_1rws 1
51 1 . 2 . 1 1 74 74 VAL HA H . . . . 66 . HA rr_1rws 1
52 1 . 1 . 1 1 76 76 GLY H H . . . . 68 . HN rr_1rws 1
52 1 . 2 . 1 1 75 75 SER HA H . . . . 67 . HA rr_1rws 1
53 1 . 1 . 1 1 52 52 ASN H H . . . . 44 . HN rr_1rws 1
53 1 . 2 . 1 1 51 51 VAL H H . . . . 43 . HN rr_1rws 1
54 1 . 1 . 1 1 52 52 ASN H H . . . . 44 . HN rr_1rws 1
54 1 . 2 . 1 1 67 67 PHE H H . . . . 59 . HN rr_1rws 1
55 1 . 1 . 1 1 52 52 ASN H H . . . . 44 . HN rr_1rws 1
55 1 . 2 . 1 1 53 53 GLY H H . . . . 45 . HN rr_1rws 1
56 1 . 1 . 1 1 53 53 GLY H H . . . . 45 . HN rr_1rws 1
56 1 . 2 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
57 1 . 1 . 1 1 63 63 LYS H H . . . . 55 . HN rr_1rws 1
57 1 . 2 . 1 1 62 62 VAL H H . . . . 54 . HN rr_1rws 1
58 1 . 1 . 1 1 63 63 LYS H H . . . . 55 . HN rr_1rws 1
58 1 . 2 . 1 1 64 64 ASP H H . . . . 56 . HN rr_1rws 1
59 1 . 1 . 1 1 12 12 ILE H H . . . . 4 . HN rr_1rws 1
59 1 . 2 . 1 1 13 13 LYS H H . . . . 5 . HN rr_1rws 1
60 1 . 1 . 1 1 32 32 LYS H H . . . . 24 . HN rr_1rws 1
60 1 . 2 . 1 1 31 31 MET H H . . . . 23 . HN rr_1rws 1
61 1 . 1 . 1 1 10 10 LYS H H . . . . 2 . HN rr_1rws 1
61 1 . 2 . 1 1 11 11 MET H H . . . . 3 . HN rr_1rws 1
62 1 . 1 . 1 1 70 70 VAL H H . . . . 62 . HN rr_1rws 1
62 1 . 2 . 1 1 15 15 LYS H H . . . . 7 . HN rr_1rws 1
63 1 . 1 . 1 1 14 14 VAL H H . . . . 6 . HN rr_1rws 1
63 1 . 2 . 1 1 15 15 LYS H H . . . . 7 . HN rr_1rws 1
64 1 . 1 . 1 1 14 14 VAL H H . . . . 6 . HN rr_1rws 1
64 1 . 2 . 1 1 13 13 LYS H H . . . . 5 . HN rr_1rws 1
65 1 . 1 . 1 1 33 33 VAL H H . . . . 25 . HN rr_1rws 1
65 1 . 2 . 1 1 62 62 VAL H H . . . . 54 . HN rr_1rws 1
66 1 . 1 . 1 1 55 55 VAL H H . . . . 47 . HN rr_1rws 1
66 1 . 2 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
67 1 . 1 . 1 1 56 56 VAL H H . . . . 48 . HN rr_1rws 1
67 1 . 2 . 1 1 49 49 ALA H H . . . . 41 . HN rr_1rws 1
68 1 . 1 . 1 1 56 56 VAL H H . . . . 48 . HN rr_1rws 1
68 1 . 2 . 1 1 51 51 VAL H H . . . . 43 . HN rr_1rws 1
69 1 . 1 . 1 1 61 61 GLU H H . . . . 53 . HN rr_1rws 1
69 1 . 2 . 1 1 62 62 VAL H H . . . . 54 . HN rr_1rws 1
70 1 . 1 . 1 1 61 61 GLU H H . . . . 53 . HN rr_1rws 1
70 1 . 2 . 1 1 60 60 ASP H H . . . . 52 . HN rr_1rws 1
71 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
71 1 . 2 . 1 1 43 43 ASN H H . . . . 35 . HN rr_1rws 1
72 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
72 1 . 2 . 1 1 40 40 VAL H H . . . . 32 . HN rr_1rws 1
73 1 . 1 . 1 1 42 42 PHE H H . . . . 34 . HN rr_1rws 1
73 1 . 2 . 1 1 41 41 GLY H H . . . . 33 . HN rr_1rws 1
74 1 . 1 . 1 1 45 45 GLU H H . . . . 37 . HN rr_1rws 1
74 1 . 2 . 1 1 46 46 SER H H . . . . 38 . HN rr_1rws 1
75 1 . 1 . 1 1 20 20 ASN H H . . . . 12 . HN rr_1rws 1
75 1 . 2 . 1 1 19 19 ARG H H . . . . 11 . HN rr_1rws 1
76 1 . 1 . 1 1 20 20 ASN H H . . . . 12 . HN rr_1rws 1
76 1 . 2 . 1 1 21 21 ILE H H . . . . 13 . HN rr_1rws 1
77 1 . 1 . 1 1 34 34 ARG H H . . . . 26 . HN rr_1rws 1
77 1 . 2 . 1 1 35 35 ASP H H . . . . 27 . HN rr_1rws 1
78 1 . 1 . 1 1 18 18 GLY H H . . . . 10 . HN rr_1rws 1
78 1 . 2 . 1 1 19 19 ARG H H . . . . 11 . HN rr_1rws 1
79 1 . 1 . 1 1 30 30 GLY H H . . . . 22 . HN rr_1rws 1
79 1 . 2 . 1 1 31 31 MET H H . . . . 23 . HN rr_1rws 1
80 1 . 1 . 1 1 58 58 GLU H H . . . . 50 . HN rr_1rws 1
80 1 . 2 . 1 1 59 59 ASP H H . . . . 51 . HN rr_1rws 1
81 1 . 1 . 1 1 44 44 THR H H . . . . 36 . HN rr_1rws 1
81 1 . 2 . 1 1 43 43 ASN H H . . . . 35 . HN rr_1rws 1
82 1 . 1 . 1 1 65 65 GLY H H . . . . 57 . HN rr_1rws 1
82 1 . 2 . 1 1 64 64 ASP H H . . . . 56 . HN rr_1rws 1
83 1 . 1 . 1 1 36 36 ILE H H . . . . 28 . HN rr_1rws 1
83 1 . 2 . 1 1 37 37 LEU H H . . . . 29 . HN rr_1rws 1
84 1 . 1 . 1 1 39 39 ALA H H . . . . 31 . HN rr_1rws 1
84 1 . 2 . 1 1 40 40 VAL H H . . . . 32 . HN rr_1rws 1
85 1 . 1 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
85 1 . 2 . 1 1 52 52 ASN H H . . . . 44 . HN rr_1rws 1
86 1 . 1 . 1 1 66 66 ASP H H . . . . 58 . HN rr_1rws 1
86 1 . 2 . 1 1 13 13 LYS H H . . . . 5 . HN rr_1rws 1
87 1 . 1 . 1 1 66 66 ASP H H . . . . 58 . HN rr_1rws 1
87 1 . 2 . 1 1 63 63 LYS H H . . . . 55 . HN rr_1rws 1
88 1 . 1 . 1 1 29 29 GLU H H . . . . 21 . HN rr_1rws 1
88 1 . 2 . 1 1 28 28 ARG H H . . . . 20 . HN rr_1rws 1
89 1 . 1 . 1 1 51 51 VAL H H . . . . 43 . HN rr_1rws 1
89 1 . 2 . 1 1 54 54 LYS H H . . . . 46 . HN rr_1rws 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
2 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
3 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
4 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
5 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
6 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
7 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
8 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
9 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
10 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
11 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
12 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
13 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
14 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
15 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
16 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
17 1 . . . . . . 5.0 1.8 5.2 rr_1rws 1
18 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
19 1 . . . . . . 5.0 1.8 5.2 rr_1rws 1
20 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
21 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
22 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
23 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
24 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
25 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
26 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
27 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
28 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
29 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
30 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
31 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
32 1 . . . . . . 5.0 1.8 5.2 rr_1rws 1
33 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
34 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
35 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
36 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
37 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
38 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
39 1 . . . . . . 5.0 1.8 5.2 rr_1rws 1
40 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
41 1 . . . . . . 5.0 1.8 5.2 rr_1rws 1
42 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
43 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
44 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
45 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
46 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
47 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
48 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
49 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
50 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
51 1 . . . . . . 2.7 1.8 2.9 rr_1rws 1
52 1 . . . . . . 3.3 1.8 3.5 rr_1rws 1
53 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
54 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
55 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
56 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
57 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
58 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
59 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
60 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
61 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
62 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
63 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
64 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
65 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
66 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
67 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
68 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
69 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
70 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
71 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
72 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
73 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
74 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
75 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
76 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
77 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
78 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
79 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
80 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
81 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
82 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
83 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
84 1 . . . . . . 2.7 1.8 3.1 rr_1rws 1
85 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
86 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
87 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
88 1 . . . . . . 5.0 1.8 5.4 rr_1rws 1
89 1 . . . . . . 3.3 1.8 3.7 rr_1rws 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Entry_ID rr_1rws
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1rws 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 18 18 GLY C C . . 1 1 19 19 ARG N N . . 1 1 19 19 ARG CA C . . 1 1 19 19 ARG C C . -150.0 -90.0 . . . A . 10 GLY C . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1rws 1
2 . . 1 1 20 20 ASN C C . . 1 1 21 21 ILE N N . . 1 1 21 21 ILE CA C . . 1 1 21 21 ILE C C . -150.0 -90.0 . . . A . 12 ASN C . . A . 13 ILE N . . A . 13 ILE CA . . A . 13 ILE C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1rws 1
3 . . 1 1 24 24 GLU C C . . 1 1 25 25 ILE N N . . 1 1 25 25 ILE CA C . . 1 1 25 25 ILE C C . -150.0 -90.0 . . . A . 16 GLU C . . A . 17 ILE N . . A . 17 ILE CA . . A . 17 ILE C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1rws 1
4 . . 1 1 37 37 LEU C C . . 1 1 38 38 ARG N N . . 1 1 38 38 ARG CA C . . 1 1 38 38 ARG C C . -60.0 -30.0 . . . A . 29 LEU C . . A . 30 ARG N . . A . 30 ARG CA . . A . 30 ARG C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . rr_1rws 1
5 . . 1 1 39 39 ALA C C . . 1 1 40 40 VAL N N . . 1 1 40 40 VAL CA C . . 1 1 40 40 VAL C C . -150.0 -90.0 . . . A . 31 ALA C . . A . 32 VAL N . . A . 32 VAL CA . . A . 32 VAL C . . . 31 . C . . . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . rr_1rws 1
6 . . 1 1 41 41 GLY C C . . 1 1 42 42 PHE N N . . 1 1 42 42 PHE CA C . . 1 1 42 42 PHE C C . -150.0 -90.0 . . . A . 33 GLY C . . A . 34 PHE N . . A . 34 PHE CA . . A . 34 PHE C . . . 33 . C . . . . . 34 . N . . . . . 34 . CA . . . . . 34 . C . . rr_1rws 1
7 . . 1 1 11 11 MET C C . . 1 1 12 12 ILE N N . . 1 1 12 12 ILE CA C . . 1 1 12 12 ILE C C . -150.0 -90.0 . . . A . 3 MET C . . A . 4 ILE N . . A . 4 ILE CA . . A . 4 ILE C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1rws 1
8 . . 1 1 47 47 ALA C C . . 1 1 48 48 ILE N N . . 1 1 48 48 ILE CA C . . 1 1 48 48 ILE C C . -150.0 -90.0 . . . A . 39 ALA C . . A . 40 ILE N . . A . 40 ILE CA . . A . 40 ILE C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . rr_1rws 1
9 . . 1 1 49 49 ALA C C . . 1 1 50 50 LYS N N . . 1 1 50 50 LYS CA C . . 1 1 50 50 LYS C C . -150.0 -90.0 . . . A . 41 ALA C . . A . 42 LYS N . . A . 42 LYS CA . . A . 42 LYS C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_1rws 1
10 . . 1 1 53 53 GLY C C . . 1 1 54 54 LYS N N . . 1 1 54 54 LYS CA C . . 1 1 54 54 LYS C C . -150.0 -90.0 . . . A . 45 GLY C . . A . 46 LYS N . . A . 46 LYS CA . . A . 46 LYS C . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . rr_1rws 1
11 . . 1 1 55 55 VAL C C . . 1 1 56 56 VAL N N . . 1 1 56 56 VAL CA C . . 1 1 56 56 VAL C C . -150.0 -90.0 . . . A . 47 VAL C . . A . 48 VAL N . . A . 48 VAL CA . . A . 48 VAL C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_1rws 1
12 . . 1 1 57 57 LEU C C . . 1 1 58 58 GLU N N . . 1 1 58 58 GLU CA C . . 1 1 58 58 GLU C C . -60.0 -30.0 . . . A . 49 LEU C . . A . 50 GLU N . . A . 50 GLU CA . . A . 50 GLU C . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . rr_1rws 1
13 . . 1 1 61 61 GLU C C . . 1 1 62 62 VAL N N . . 1 1 62 62 VAL CA C . . 1 1 62 62 VAL C C . -150.0 -90.0 . . . A . 53 GLU C . . A . 54 VAL N . . A . 54 VAL CA . . A . 54 VAL C . . . 53 . C . . . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . rr_1rws 1
14 . . 1 1 13 13 LYS C C . . 1 1 14 14 VAL N N . . 1 1 14 14 VAL CA C . . 1 1 14 14 VAL C C . -150.0 -90.0 . . . A . 5 LYS C . . A . 6 VAL N . . A . 6 VAL CA . . A . 6 VAL C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1rws 1
15 . . 1 1 67 67 PHE C C . . 1 1 68 68 VAL N N . . 1 1 68 68 VAL CA C . . 1 1 68 68 VAL C C . -150.0 -90.0 . . . A . 59 PHE C . . A . 60 VAL N . . A . 60 VAL CA . . A . 60 VAL C . . . 59 . C . . . . . 60 . N . . . . . 60 . CA . . . . . 60 . C . . rr_1rws 1
16 . . 1 1 69 69 GLU C C . . 1 1 70 70 VAL N N . . 1 1 70 70 VAL CA C . . 1 1 70 70 VAL C C . -150.0 -90.0 . . . A . 61 GLU C . . A . 62 VAL N . . A . 62 VAL CA . . A . 62 VAL C . . . 61 . C . . . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . rr_1rws 1
17 . . 1 1 15 15 LYS C C . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . -150.0 -90.0 . . . A . 7 LYS C . . A . 8 VAL N . . A . 8 VAL CA . . A . 8 VAL C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1rws 1
18 . . 1 1 44 44 THR C C . . 1 1 45 45 GLU N N . . 1 1 45 45 GLU CA C . . 1 1 45 45 GLU C C . -100.0 -40.0 . . . A . 36 THR C . . A . 37 GLU N . . A . 37 GLU CA . . A . 37 GLU C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_1rws 1
19 . . 1 1 45 45 GLU N N . . 1 1 45 45 GLU CA C . . 1 1 45 45 GLU C C . . 1 1 46 46 SER N N . -60.0 0.0 . . . A . 37 GLU N . . A . 37 GLU CA . . A . 37 GLU C . . A . 38 SER N . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . . . . 38 . N . . rr_1rws 1
20 . . 1 1 62 62 VAL C C . . 1 1 63 63 LYS N N . . 1 1 63 63 LYS CA C . . 1 1 63 63 LYS C C . -160.0 -100.0 . . . A . 54 VAL C . . A . 55 LYS N . . A . 55 LYS CA . . A . 55 LYS C . . . 54 . C . . . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . rr_1rws 1
21 . . 1 1 63 63 LYS N N . . 1 1 63 63 LYS CA C . . 1 1 63 63 LYS C C . . 1 1 64 64 ASP N N . -210.0 -150.0 . . . A . 55 LYS N . . A . 55 LYS CA . . A . 55 LYS C . . A . 56 ASP N . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . . . . 56 . N . . rr_1rws 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "! 11" 1 1 1 6 rr_1rws 1
2 "! 13" 4 1 4 6 rr_1rws 1
3 "! 17" 7 1 7 6 rr_1rws 1
4 "! 30" 10 1 10 6 rr_1rws 1
5 "! 32" 13 1 13 6 rr_1rws 1
6 "! 34" 16 1 16 6 rr_1rws 1
7 "! 4" 19 1 19 5 rr_1rws 1
8 "! 40" 22 1 22 6 rr_1rws 1
9 "! 42" 25 1 25 6 rr_1rws 1
10 "! 46" 28 1 28 6 rr_1rws 1
11 "! 48" 31 1 31 6 rr_1rws 1
12 "! 50" 34 1 34 6 rr_1rws 1
13 "! 54" 37 1 37 6 rr_1rws 1
14 "! 6" 40 1 40 5 rr_1rws 1
15 "! 60" 43 1 43 6 rr_1rws 1
16 "! 62" 46 1 46 6 rr_1rws 1
17 "! 8" 49 1 49 5 rr_1rws 1
18 "! 37 phi" 52 1 52 10 rr_1rws 1
19 "! 37 psi" 55 1 55 10 rr_1rws 1
20 "! 55 phi" 58 1 58 10 rr_1rws 1
21 "! 55 psi" 61 1 61 10 rr_1rws 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Entry_ID rr_1rws
_RDC_constraint_list.ID 1
_RDC_constraint_list.Details "Generated by Wattos"
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
loop_
_RDC_constraint_software.Software_ID
_RDC_constraint_software.Software_label
_RDC_constraint_software.Method_ID
_RDC_constraint_software.Method_label
_RDC_constraint_software.Entry_ID
_RDC_constraint_software.RDC_constraint_list_ID
. . . . rr_1rws 1
stop_
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Atom_type_1
_RDC_constraint.Atom_isotope_number_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Atom_type_2
_RDC_constraint.Atom_isotope_number_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.RDC_val_scale_factor
_RDC_constraint.RDC_bond_length
_RDC_constraint.Source_experiment_ID
_RDC_constraint.PDB_record_ID_1
_RDC_constraint.PDB_model_num_1
_RDC_constraint.PDB_strand_ID_1
_RDC_constraint.PDB_ins_code_1
_RDC_constraint.PDB_residue_no_1
_RDC_constraint.PDB_residue_name_1
_RDC_constraint.PDB_atom_name_1
_RDC_constraint.PDB_record_ID_2
_RDC_constraint.PDB_model_num_2
_RDC_constraint.PDB_strand_ID_2
_RDC_constraint.PDB_ins_code_2
_RDC_constraint.PDB_residue_no_2
_RDC_constraint.PDB_residue_name_2
_RDC_constraint.PDB_atom_name_2
_RDC_constraint.Auth_entity_assembly_ID_1
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_chain_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_alt_ID_1
_RDC_constraint.Auth_atom_name_1
_RDC_constraint.Auth_entity_assembly_ID_2
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_chain_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Auth_alt_ID_2
_RDC_constraint.Auth_atom_name_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . 1 1 49 49 ALA N N . . . 1 1 49 49 ALA H H . . -4.232000 . . . . . . . . A . 41 ALA N . . A . 41 ALA H . . . 41 . N . . . . . 41 . HN . . rr_1rws 1
2 . 1 1 69 69 GLU N N . . . 1 1 69 69 GLU H H . . -5.393000 . . . . . . . . A . 61 GLU N . . A . 61 GLU H . . . 61 . N . . . . . 61 . HN . . rr_1rws 1
3 . 1 1 10 10 LYS N N . . . 1 1 10 10 LYS H H . . -6.104000 . . . . . . . . A . 2 LYS N . . A . 2 LYS H . . . 2 . N . . . . . 2 . HN . . rr_1rws 1
4 . 1 1 32 32 LYS N N . . . 1 1 32 32 LYS H H . . -13.404000 . . . . . . . . A . 24 LYS N . . A . 24 LYS H . . . 24 . N . . . . . 24 . HN . . rr_1rws 1
5 . 1 1 12 12 ILE N N . . . 1 1 12 12 ILE H H . . -12.635000 . . . . . . . . A . 4 ILE N . . A . 4 ILE H . . . 4 . N . . . . . 4 . HN . . rr_1rws 1
6 . 1 1 63 63 LYS N N . . . 1 1 63 63 LYS H H . . -2.933000 . . . . . . . . A . 55 LYS N . . A . 55 LYS H . . . 55 . N . . . . . 55 . HN . . rr_1rws 1
7 . 1 1 71 71 ILE N N . . . 1 1 71 71 ILE H H . . -4.315000 . . . . . . . . A . 63 ILE N . . A . 63 ILE H . . . 63 . N . . . . . 63 . HN . . rr_1rws 1
8 . 1 1 68 68 VAL N N . . . 1 1 68 68 VAL H H . . -1.180000 . . . . . . . . A . 60 VAL N . . A . 60 VAL H . . . 60 . N . . . . . 60 . HN . . rr_1rws 1
9 . 1 1 17 17 ILE N N . . . 1 1 17 17 ILE H H . . -3.786000 . . . . . . . . A . 9 ILE N . . A . 9 ILE H . . . 9 . N . . . . . 9 . HN . . rr_1rws 1
10 . 1 1 53 53 GLY N N . . . 1 1 53 53 GLY H H . . -10.005000 . . . . . . . . A . 45 GLY N . . A . 45 GLY H . . . 45 . N . . . . . 45 . HN . . rr_1rws 1
11 . 1 1 52 52 ASN N N . . . 1 1 52 52 ASN H H . . -7.566000 . . . . . . . . A . 44 ASN N . . A . 44 ASN H . . . 44 . N . . . . . 44 . HN . . rr_1rws 1
12 . 1 1 70 70 VAL N N . . . 1 1 70 70 VAL H H . . -0.608000 . . . . . . . . A . 62 VAL N . . A . 62 VAL H . . . 62 . N . . . . . 62 . HN . . rr_1rws 1
13 . 1 1 14 14 VAL N N . . . 1 1 14 14 VAL H H . . -3.539000 . . . . . . . . A . 6 VAL N . . A . 6 VAL H . . . 6 . N . . . . . 6 . HN . . rr_1rws 1
14 . 1 1 25 25 ILE N N . . . 1 1 25 25 ILE H H . . -12.934000 . . . . . . . . A . 17 ILE N . . A . 17 ILE H . . . 17 . N . . . . . 17 . HN . . rr_1rws 1
15 . 1 1 23 23 LYS N N . . . 1 1 23 23 LYS H H . . -3.727000 . . . . . . . . A . 15 LYS N . . A . 15 LYS H . . . 15 . N . . . . . 15 . HN . . rr_1rws 1
16 . 1 1 33 33 VAL N N . . . 1 1 33 33 VAL H H . . -7.000000 . . . . . . . . A . 25 VAL N . . A . 25 VAL H . . . 25 . N . . . . . 25 . HN . . rr_1rws 1
17 . 1 1 55 55 VAL N N . . . 1 1 55 55 VAL H H . . -8.074000 . . . . . . . . A . 47 VAL N . . A . 47 VAL H . . . 47 . N . . . . . 47 . HN . . rr_1rws 1
18 . 1 1 16 16 VAL N N . . . 1 1 16 16 VAL H H . . -1.236000 . . . . . . . . A . 8 VAL N . . A . 8 VAL H . . . 8 . N . . . . . 8 . HN . . rr_1rws 1
19 . 1 1 27 27 TRP N N . . . 1 1 27 27 TRP H H . . 5.604000 . . . . . . . . A . 19 TRP N . . A . 19 TRP H . . . 19 . N . . . . . 19 . HN . . rr_1rws 1
20 . 1 1 26 26 GLU N N . . . 1 1 26 26 GLU H H . . -9.353000 . . . . . . . . A . 18 GLU N . . A . 18 GLU H . . . 18 . N . . . . . 18 . HN . . rr_1rws 1
21 . 1 1 15 15 LYS N N . . . 1 1 15 15 LYS H H . . -4.353000 . . . . . . . . A . 7 LYS N . . A . 7 LYS H . . . 7 . N . . . . . 7 . HN . . rr_1rws 1
22 . 1 1 22 22 GLU N N . . . 1 1 22 22 GLU H H . . -6.594000 . . . . . . . . A . 14 GLU N . . A . 14 GLU H . . . 14 . N . . . . . 14 . HN . . rr_1rws 1
23 . 1 1 51 51 VAL N N . . . 1 1 51 51 VAL H H . . -3.678000 . . . . . . . . A . 43 VAL N . . A . 43 VAL H . . . 43 . N . . . . . 43 . HN . . rr_1rws 1
24 . 1 1 13 13 LYS N N . . . 1 1 13 13 LYS H H . . -8.995000 . . . . . . . . A . 5 LYS N . . A . 5 LYS H . . . 5 . N . . . . . 5 . HN . . rr_1rws 1
25 . 1 1 74 74 VAL N N . . . 1 1 74 74 VAL H H . . -6.633000 . . . . . . . . A . 66 VAL N . . A . 66 VAL H . . . 66 . N . . . . . 66 . HN . . rr_1rws 1
26 . 1 1 47 47 ALA N N . . . 1 1 47 47 ALA H H . . -4.650000 . . . . . . . . A . 39 ALA N . . A . 39 ALA H . . . 39 . N . . . . . 39 . HN . . rr_1rws 1
27 . 1 1 73 73 VAL N N . . . 1 1 73 73 VAL H H . . -7.076000 . . . . . . . . A . 65 VAL N . . A . 65 VAL H . . . 65 . N . . . . . 65 . HN . . rr_1rws 1
28 . 1 1 56 56 VAL N N . . . 1 1 56 56 VAL H H . . -3.137000 . . . . . . . . A . 48 VAL N . . A . 48 VAL H . . . 48 . N . . . . . 48 . HN . . rr_1rws 1
29 . 1 1 67 67 PHE N N . . . 1 1 67 67 PHE H H . . -9.715000 . . . . . . . . A . 59 PHE N . . A . 59 PHE H . . . 59 . N . . . . . 59 . HN . . rr_1rws 1
30 . 1 1 24 24 GLU N N . . . 1 1 24 24 GLU H H . . -5.521000 . . . . . . . . A . 16 GLU N . . A . 16 GLU H . . . 16 . N . . . . . 16 . HN . . rr_1rws 1
31 . 1 1 57 57 LEU N N . . . 1 1 57 57 LEU H H . . 6.296000 . . . . . . . . A . 49 LEU N . . A . 49 LEU H . . . 49 . N . . . . . 49 . HN . . rr_1rws 1
32 . 1 1 75 75 SER N N . . . 1 1 75 75 SER H H . . -3.259000 . . . . . . . . A . 67 SER N . . A . 67 SER H . . . 67 . N . . . . . 67 . HN . . rr_1rws 1
33 . 1 1 61 61 GLU N N . . . 1 1 61 61 GLU H H . . -7.066000 . . . . . . . . A . 53 GLU N . . A . 53 GLU H . . . 53 . N . . . . . 53 . HN . . rr_1rws 1
34 . 1 1 11 11 MET N N . . . 1 1 11 11 MET H H . . -7.250000 . . . . . . . . A . 3 MET N . . A . 3 MET H . . . 3 . N . . . . . 3 . HN . . rr_1rws 1
35 . 1 1 42 42 PHE N N . . . 1 1 42 42 PHE H H . . 14.948000 . . . . . . . . A . 34 PHE N . . A . 34 PHE H . . . 34 . N . . . . . 34 . HN . . rr_1rws 1
36 . 1 1 45 45 GLU N N . . . 1 1 45 45 GLU H H . . -4.789000 . . . . . . . . A . 37 GLU N . . A . 37 GLU H . . . 37 . N . . . . . 37 . HN . . rr_1rws 1
37 . 1 1 20 20 ASN N N . . . 1 1 20 20 ASN H H . . -5.459000 . . . . . . . . A . 12 ASN N . . A . 12 ASN H . . . 12 . N . . . . . 12 . HN . . rr_1rws 1
38 . 1 1 50 50 LYS N N . . . 1 1 50 50 LYS H H . . -4.216000 . . . . . . . . A . 42 LYS N . . A . 42 LYS H . . . 42 . N . . . . . 42 . HN . . rr_1rws 1
39 . 1 1 48 48 ILE N N . . . 1 1 48 48 ILE H H . . -5.035000 . . . . . . . . A . 40 ILE N . . A . 40 ILE H . . . 40 . N . . . . . 40 . HN . . rr_1rws 1
40 . 1 1 37 37 LEU N N . . . 1 1 37 37 LEU H H . . -6.419000 . . . . . . . . A . 29 LEU N . . A . 29 LEU H . . . 29 . N . . . . . 29 . HN . . rr_1rws 1
41 . 1 1 34 34 ARG N N . . . 1 1 34 34 ARG H H . . -4.465000 . . . . . . . . A . 26 ARG N . . A . 26 ARG H . . . 26 . N . . . . . 26 . HN . . rr_1rws 1
42 . 1 1 18 18 GLY N N . . . 1 1 18 18 GLY H H . . 3.218000 . . . . . . . . A . 10 GLY N . . A . 10 GLY H . . . 10 . N . . . . . 10 . HN . . rr_1rws 1
43 . 1 1 30 30 GLY N N . . . 1 1 30 30 GLY H H . . -9.083000 . . . . . . . . A . 22 GLY N . . A . 22 GLY H . . . 22 . N . . . . . 22 . HN . . rr_1rws 1
44 . 1 1 58 58 GLU N N . . . 1 1 58 58 GLU H H . . 17.042000 . . . . . . . . A . 50 GLU N . . A . 50 GLU H . . . 50 . N . . . . . 50 . HN . . rr_1rws 1
45 . 1 1 76 76 GLY N N . . . 1 1 76 76 GLY H H . . -2.389000 . . . . . . . . A . 68 GLY N . . A . 68 GLY H . . . 68 . N . . . . . 68 . HN . . rr_1rws 1
46 . 1 1 44 44 THR N N . . . 1 1 44 44 THR H H . . -5.295000 . . . . . . . . A . 36 THR N . . A . 36 THR H . . . 36 . N . . . . . 36 . HN . . rr_1rws 1
47 . 1 1 9 9 SER N N . . . 1 1 9 9 SER H H . . -4.005000 . . . . . . . . . . . . . . . . . . . . . . . 1 . N . . . . . 1 . HN . . rr_1rws 1
48 . 1 1 43 43 ASN N N . . . 1 1 43 43 ASN H H . . 3.914000 . . . . . . . . A . 35 ASN N . . A . 35 ASN H . . . 35 . N . . . . . 35 . HN . . rr_1rws 1
49 . 1 1 77 77 GLY N N . . . 1 1 77 77 GLY H H . . 0.004000 . . . . . . . . A . 69 GLY N . . A . 69 GLY H . . . 69 . N . . . . . 69 . HN . . rr_1rws 1
50 . 1 1 65 65 GLY N N . . . 1 1 65 65 GLY H H . . -9.775000 . . . . . . . . A . 57 GLY N . . A . 57 GLY H . . . 57 . N . . . . . 57 . HN . . rr_1rws 1
51 . 1 1 46 46 SER N N . . . 1 1 46 46 SER H H . . 6.158000 . . . . . . . . A . 38 SER N . . A . 38 SER H . . . 38 . N . . . . . 38 . HN . . rr_1rws 1
52 . 1 1 59 59 ASP N N . . . 1 1 59 59 ASP H H . . 4.691000 . . . . . . . . A . 51 ASP N . . A . 51 ASP H . . . 51 . N . . . . . 51 . HN . . rr_1rws 1
53 . 1 1 62 62 VAL N N . . . 1 1 62 62 VAL H H . . -7.431000 . . . . . . . . A . 54 VAL N . . A . 54 VAL H . . . 54 . N . . . . . 54 . HN . . rr_1rws 1
54 . 1 1 28 28 ARG N N . . . 1 1 28 28 ARG H H . . 9.419000 . . . . . . . . A . 20 ARG N . . A . 20 ARG H . . . 20 . N . . . . . 20 . HN . . rr_1rws 1
55 . 1 1 36 36 ILE N N . . . 1 1 36 36 ILE H H . . -3.320000 . . . . . . . . A . 28 ILE N . . A . 28 ILE H . . . 28 . N . . . . . 28 . HN . . rr_1rws 1
56 . 1 1 31 31 MET N N . . . 1 1 31 31 MET H H . . 12.624000 . . . . . . . . A . 23 MET N . . A . 23 MET H . . . 23 . N . . . . . 23 . HN . . rr_1rws 1
57 . 1 1 39 39 ALA N N . . . 1 1 39 39 ALA H H . . -9.935000 . . . . . . . . A . 31 ALA N . . A . 31 ALA H . . . 31 . N . . . . . 31 . HN . . rr_1rws 1
58 . 1 1 54 54 LYS N N . . . 1 1 54 54 LYS H H . . 7.886000 . . . . . . . . A . 46 LYS N . . A . 46 LYS H . . . 46 . N . . . . . 46 . HN . . rr_1rws 1
59 . 1 1 66 66 ASP N N . . . 1 1 66 66 ASP H H . . -8.685000 . . . . . . . . A . 58 ASP N . . A . 58 ASP H . . . 58 . N . . . . . 58 . HN . . rr_1rws 1
60 . 1 1 29 29 GLU N N . . . 1 1 29 29 GLU H H . . 10.407000 . . . . . . . . A . 21 GLU N . . A . 21 GLU H . . . 21 . N . . . . . 21 . HN . . rr_1rws 1
61 . 1 1 60 60 ASP N N . . . 1 1 60 60 ASP H H . . 4.955000 . . . . . . . . A . 52 ASP N . . A . 52 ASP H . . . 52 . N . . . . . 52 . HN . . rr_1rws 1
62 . 1 1 35 35 ASP N N . . . 1 1 35 35 ASP H H . . -3.004000 . . . . . . . . A . 27 ASP N . . A . 27 ASP H . . . 27 . N . . . . . 27 . HN . . rr_1rws 1
63 . 1 1 38 38 ARG N N . . . 1 1 38 38 ARG H H . . -0.721000 . . . . . . . . A . 30 ARG N . . A . 30 ARG H . . . 30 . N . . . . . 30 . HN . . rr_1rws 1
64 . 1 1 64 64 ASP N N . . . 1 1 64 64 ASP H H . . 0.887000 . . . . . . . . A . 56 ASP N . . A . 56 ASP H . . . 56 . N . . . . . 56 . HN . . rr_1rws 1
65 . 1 1 19 19 ARG N N . . . 1 1 19 19 ARG H H . . 0.936000 . . . . . . . . A . 11 ARG N . . A . 11 ARG H . . . 11 . N . . . . . 11 . HN . . rr_1rws 1
66 . 1 1 21 21 ILE N N . . . 1 1 21 21 ILE H H . . -1.727000 . . . . . . . . A . 13 ILE N . . A . 13 ILE H . . . 13 . N . . . . . 13 . HN . . rr_1rws 1
67 . 1 1 40 40 VAL N N . . . 1 1 40 40 VAL H H . . -5.655000 . . . . . . . . A . 32 VAL N . . A . 32 VAL H . . . 32 . N . . . . . 32 . HN . . rr_1rws 1
68 . 1 1 41 41 GLY N N . . . 1 1 41 41 GLY H H . . 3.466000 . . . . . . . . A . 33 GLY N . . A . 33 GLY H . . . 33 . N . . . . . 33 . HN . . rr_1rws 1
69 . 1 1 49 49 ALA HA H . . . 1 1 49 49 ALA CA C . . 4.625000 . . . . . . . . A . 41 ALA HA . . A . 41 ALA CA . . . 41 . HA . . . . . 41 . CA . . rr_1rws 1
70 . 1 1 69 69 GLU HA H . . . 1 1 69 69 GLU CA C . . 3.095500 . . . . . . . . A . 61 GLU HA . . A . 61 GLU CA . . . 61 . HA . . . . . 61 . CA . . rr_1rws 1
71 . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS CA C . . 6.786500 . . . . . . . . A . 2 LYS HA . . A . 2 LYS CA . . . 2 . HA . . . . . 2 . CA . . rr_1rws 1
72 . 1 1 32 32 LYS HA H . . . 1 1 32 32 LYS CA C . . 8.434000 . . . . . . . . A . 24 LYS HA . . A . 24 LYS CA . . . 24 . HA . . . . . 24 . CA . . rr_1rws 1
73 . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE CA C . . 9.837000 . . . . . . . . A . 4 ILE HA . . A . 4 ILE CA . . . 4 . HA . . . . . 4 . CA . . rr_1rws 1
74 . 1 1 63 63 LYS HA H . . . 1 1 63 63 LYS CA C . . 6.344500 . . . . . . . . A . 55 LYS HA . . A . 55 LYS CA . . . 55 . HA . . . . . 55 . CA . . rr_1rws 1
75 . 1 1 71 71 ILE HA H . . . 1 1 71 71 ILE CA C . . 2.413500 . . . . . . . . A . 63 ILE HA . . A . 63 ILE CA . . . 63 . HA . . . . . 63 . CA . . rr_1rws 1
76 . 1 1 68 68 VAL HA H . . . 1 1 68 68 VAL CA C . . 5.556500 . . . . . . . . A . 60 VAL HA . . A . 60 VAL CA . . . 60 . HA . . . . . 60 . CA . . rr_1rws 1
77 . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE CA C . . -4.291000 . . . . . . . . A . 9 ILE HA . . A . 9 ILE CA . . . 9 . HA . . . . . 9 . CA . . rr_1rws 1
78 . 1 1 52 52 ASN HA H . . . 1 1 52 52 ASN CA C . . 0.116500 . . . . . . . . A . 44 ASN HA . . A . 44 ASN CA . . . 44 . HA . . . . . 44 . CA . . rr_1rws 1
79 . 1 1 70 70 VAL HA H . . . 1 1 70 70 VAL CA C . . 1.293000 . . . . . . . . A . 62 VAL HA . . A . 62 VAL CA . . . 62 . HA . . . . . 62 . CA . . rr_1rws 1
80 . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL CA C . . 5.185500 . . . . . . . . A . 6 VAL HA . . A . 6 VAL CA . . . 6 . HA . . . . . 6 . CA . . rr_1rws 1
81 . 1 1 25 25 ILE HA H . . . 1 1 25 25 ILE CA C . . 9.862000 . . . . . . . . A . 17 ILE HA . . A . 17 ILE CA . . . 17 . HA . . . . . 17 . CA . . rr_1rws 1
82 . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS CA C . . 1.203500 . . . . . . . . A . 15 LYS HA . . A . 15 LYS CA . . . 15 . HA . . . . . 15 . CA . . rr_1rws 1
83 . 1 1 33 33 VAL HA H . . . 1 1 33 33 VAL CA C . . -0.298500 . . . . . . . . A . 25 VAL HA . . A . 25 VAL CA . . . 25 . HA . . . . . 25 . CA . . rr_1rws 1
84 . 1 1 55 55 VAL HA H . . . 1 1 55 55 VAL CA C . . 6.134500 . . . . . . . . A . 47 VAL HA . . A . 47 VAL CA . . . 47 . HA . . . . . 47 . CA . . rr_1rws 1
85 . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL CA C . . 5.283000 . . . . . . . . A . 8 VAL HA . . A . 8 VAL CA . . . 8 . HA . . . . . 8 . CA . . rr_1rws 1
86 . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU CA C . . 1.816000 . . . . . . . . A . 18 GLU HA . . A . 18 GLU CA . . . 18 . HA . . . . . 18 . CA . . rr_1rws 1
87 . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS CA C . . 6.520500 . . . . . . . . A . 7 LYS HA . . A . 7 LYS CA . . . 7 . HA . . . . . 7 . CA . . rr_1rws 1
88 . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU CA C . . 4.663000 . . . . . . . . A . 14 GLU HA . . A . 14 GLU CA . . . 14 . HA . . . . . 14 . CA . . rr_1rws 1
89 . 1 1 51 51 VAL HA H . . . 1 1 51 51 VAL CA C . . 5.115000 . . . . . . . . A . 43 VAL HA . . A . 43 VAL CA . . . 43 . HA . . . . . 43 . CA . . rr_1rws 1
90 . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS CA C . . 7.167000 . . . . . . . . A . 5 LYS HA . . A . 5 LYS CA . . . 5 . HA . . . . . 5 . CA . . rr_1rws 1
91 . 1 1 74 74 VAL HA H . . . 1 1 74 74 VAL CA C . . 3.517500 . . . . . . . . A . 66 VAL HA . . A . 66 VAL CA . . . 66 . HA . . . . . 66 . CA . . rr_1rws 1
92 . 1 1 47 47 ALA HA H . . . 1 1 47 47 ALA CA C . . 0.971000 . . . . . . . . A . 39 ALA HA . . A . 39 ALA CA . . . 39 . HA . . . . . 39 . CA . . rr_1rws 1
93 . 1 1 56 56 VAL HA H . . . 1 1 56 56 VAL CA C . . 6.740500 . . . . . . . . A . 48 VAL HA . . A . 48 VAL CA . . . 48 . HA . . . . . 48 . CA . . rr_1rws 1
94 . 1 1 67 67 PHE HA H . . . 1 1 67 67 PHE CA C . . -10.592500 . . . . . . . . A . 59 PHE HA . . A . 59 PHE CA . . . 59 . HA . . . . . 59 . CA . . rr_1rws 1
95 . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU CA C . . 4.113500 . . . . . . . . A . 16 GLU HA . . A . 16 GLU CA . . . 16 . HA . . . . . 16 . CA . . rr_1rws 1
96 . 1 1 57 57 LEU HA H . . . 1 1 57 57 LEU CA C . . -9.385000 . . . . . . . . A . 49 LEU HA . . A . 49 LEU CA . . . 49 . HA . . . . . 49 . CA . . rr_1rws 1
97 . 1 1 75 75 SER HA H . . . 1 1 75 75 SER CA C . . 1.346500 . . . . . . . . A . 67 SER HA . . A . 67 SER CA . . . 67 . HA . . . . . 67 . CA . . rr_1rws 1
98 . 1 1 61 61 GLU HA H . . . 1 1 61 61 GLU CA C . . 11.404500 . . . . . . . . A . 53 GLU HA . . A . 53 GLU CA . . . 53 . HA . . . . . 53 . CA . . rr_1rws 1
99 . 1 1 11 11 MET HA H . . . 1 1 11 11 MET CA C . . 7.344500 . . . . . . . . A . 3 MET HA . . A . 3 MET CA . . . 3 . HA . . . . . 3 . CA . . rr_1rws 1
100 . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE CA C . . -10.500000 . . . . . . . . A . 34 PHE HA . . A . 34 PHE CA . . . 34 . HA . . . . . 34 . CA . . rr_1rws 1
101 . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU CA C . . 3.577500 . . . . . . . . A . 37 GLU HA . . A . 37 GLU CA . . . 37 . HA . . . . . 37 . CA . . rr_1rws 1
102 . 1 1 20 20 ASN HA H . . . 1 1 20 20 ASN CA C . . 8.764000 . . . . . . . . A . 12 ASN HA . . A . 12 ASN CA . . . 12 . HA . . . . . 12 . CA . . rr_1rws 1
103 . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS CA C . . 3.643000 . . . . . . . . A . 42 LYS HA . . A . 42 LYS CA . . . 42 . HA . . . . . 42 . CA . . rr_1rws 1
104 . 1 1 48 48 ILE HA H . . . 1 1 48 48 ILE CA C . . 4.585500 . . . . . . . . A . 40 ILE HA . . A . 40 ILE CA . . . 40 . HA . . . . . 40 . CA . . rr_1rws 1
105 . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU CA C . . 5.346000 . . . . . . . . A . 29 LEU HA . . A . 29 LEU CA . . . 29 . HA . . . . . 29 . CA . . rr_1rws 1
106 . 1 1 34 34 ARG HA H . . . 1 1 34 34 ARG CA C . . -8.422000 . . . . . . . . A . 26 ARG HA . . A . 26 ARG CA . . . 26 . HA . . . . . 26 . CA . . rr_1rws 1
107 . 1 1 58 58 GLU HA H . . . 1 1 58 58 GLU CA C . . 0.769500 . . . . . . . . A . 50 GLU HA . . A . 50 GLU CA . . . 50 . HA . . . . . 50 . CA . . rr_1rws 1
108 . 1 1 44 44 THR HA H . . . 1 1 44 44 THR CA C . . 2.258000 . . . . . . . . A . 36 THR HA . . A . 36 THR CA . . . 36 . HA . . . . . 36 . CA . . rr_1rws 1
109 . 1 1 9 9 SER HA H . . . 1 1 9 9 SER CA C . . 4.444500 . . . . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . CA . . rr_1rws 1
110 . 1 1 43 43 ASN HA H . . . 1 1 43 43 ASN CA C . . -13.697000 . . . . . . . . A . 35 ASN HA . . A . 35 ASN CA . . . 35 . HA . . . . . 35 . CA . . rr_1rws 1
111 . 1 1 46 46 SER HA H . . . 1 1 46 46 SER CA C . . -16.122000 . . . . . . . . A . 38 SER HA . . A . 38 SER CA . . . 38 . HA . . . . . 38 . CA . . rr_1rws 1
112 . 1 1 59 59 ASP HA H . . . 1 1 59 59 ASP CA C . . 6.821500 . . . . . . . . A . 51 ASP HA . . A . 51 ASP CA . . . 51 . HA . . . . . 51 . CA . . rr_1rws 1
113 . 1 1 62 62 VAL HA H . . . 1 1 62 62 VAL CA C . . 9.794000 . . . . . . . . A . 54 VAL HA . . A . 54 VAL CA . . . 54 . HA . . . . . 54 . CA . . rr_1rws 1
114 . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG CA C . . -15.306500 . . . . . . . . A . 20 ARG HA . . A . 20 ARG CA . . . 20 . HA . . . . . 20 . CA . . rr_1rws 1
115 . 1 1 36 36 ILE HA H . . . 1 1 36 36 ILE CA C . . -0.335500 . . . . . . . . A . 28 ILE HA . . A . 28 ILE CA . . . 28 . HA . . . . . 28 . CA . . rr_1rws 1
116 . 1 1 31 31 MET HA H . . . 1 1 31 31 MET CA C . . 4.455500 . . . . . . . . A . 23 MET HA . . A . 23 MET CA . . . 23 . HA . . . . . 23 . CA . . rr_1rws 1
117 . 1 1 39 39 ALA HA H . . . 1 1 39 39 ALA CA C . . 12.256500 . . . . . . . . A . 31 ALA HA . . A . 31 ALA CA . . . 31 . HA . . . . . 31 . CA . . rr_1rws 1
118 . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS CA C . . -0.173500 . . . . . . . . A . 46 LYS HA . . A . 46 LYS CA . . . 46 . HA . . . . . 46 . CA . . rr_1rws 1
119 . 1 1 66 66 ASP HA H . . . 1 1 66 66 ASP CA C . . 10.794000 . . . . . . . . A . 58 ASP HA . . A . 58 ASP CA . . . 58 . HA . . . . . 58 . CA . . rr_1rws 1
120 . 1 1 29 29 GLU HA H . . . 1 1 29 29 GLU CA C . . 9.035500 . . . . . . . . A . 21 GLU HA . . A . 21 GLU CA . . . 21 . HA . . . . . 21 . CA . . rr_1rws 1
121 . 1 1 60 60 ASP HA H . . . 1 1 60 60 ASP CA C . . 2.681000 . . . . . . . . A . 52 ASP HA . . A . 52 ASP CA . . . 52 . HA . . . . . 52 . CA . . rr_1rws 1
122 . 1 1 35 35 ASP HA H . . . 1 1 35 35 ASP CA C . . 4.874500 . . . . . . . . A . 27 ASP HA . . A . 27 ASP CA . . . 27 . HA . . . . . 27 . CA . . rr_1rws 1
123 . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG CA C . . -13.690000 . . . . . . . . A . 30 ARG HA . . A . 30 ARG CA . . . 30 . HA . . . . . 30 . CA . . rr_1rws 1
124 . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG CA C . . -6.273500 . . . . . . . . A . 11 ARG HA . . A . 11 ARG CA . . . 11 . HA . . . . . 11 . CA . . rr_1rws 1
125 . 1 1 21 21 ILE HA H . . . 1 1 21 21 ILE CA C . . 1.161000 . . . . . . . . A . 13 ILE HA . . A . 13 ILE CA . . . 13 . HA . . . . . 13 . CA . . rr_1rws 1
126 . 1 1 40 40 VAL HA H . . . 1 1 40 40 VAL CA C . . 1.658000 . . . . . . . . A . 32 VAL HA . . A . 32 VAL CA . . . 32 . HA . . . . . 32 . CA . . rr_1rws 1
127 . 1 1 48 48 ILE C C . . . 1 1 49 49 ALA N N . . -5.003350 . . . . . . . . A . 40 ILE C . . A . 41 ALA N . . . 40 . C . . . . . 41 . N . . rr_1rws 1
128 . 1 1 68 68 VAL C C . . . 1 1 69 69 GLU N N . . 18.574420 . . . . . . . . A . 60 VAL C . . A . 61 GLU N . . . 60 . C . . . . . 61 . N . . rr_1rws 1
129 . 1 1 9 9 SER C C . . . 1 1 10 10 LYS N N . . 15.340850 . . . . . . . . . . . . . . . A . 2 LYS N . . . 1 . C . . . . . 2 . N . . rr_1rws 1
130 . 1 1 31 31 MET C C . . . 1 1 32 32 LYS N N . . 22.204950 . . . . . . . . A . 23 MET C . . A . 24 LYS N . . . 23 . C . . . . . 24 . N . . rr_1rws 1
131 . 1 1 11 11 MET C C . . . 1 1 12 12 ILE N N . . 7.922660 . . . . . . . . A . 3 MET C . . A . 4 ILE N . . . 3 . C . . . . . 4 . N . . rr_1rws 1
132 . 1 1 62 62 VAL C C . . . 1 1 63 63 LYS N N . . 9.502230 . . . . . . . . A . 54 VAL C . . A . 55 LYS N . . . 54 . C . . . . . 55 . N . . rr_1rws 1
133 . 1 1 70 70 VAL C C . . . 1 1 71 71 ILE N N . . 11.950150 . . . . . . . . A . 62 VAL C . . A . 63 ILE N . . . 62 . C . . . . . 63 . N . . rr_1rws 1
134 . 1 1 67 67 PHE C C . . . 1 1 68 68 VAL N N . . 9.684170 . . . . . . . . A . 59 PHE C . . A . 60 VAL N . . . 59 . C . . . . . 60 . N . . rr_1rws 1
135 . 1 1 16 16 VAL C C . . . 1 1 17 17 ILE N N . . -5.168750 . . . . . . . . A . 8 VAL C . . A . 9 ILE N . . . 8 . C . . . . . 9 . N . . rr_1rws 1
136 . 1 1 52 52 ASN C C . . . 1 1 53 53 GLY N N . . 3.820740 . . . . . . . . A . 44 ASN C . . A . 45 GLY N . . . 44 . C . . . . . 45 . N . . rr_1rws 1
137 . 1 1 51 51 VAL C C . . . 1 1 52 52 ASN N N . . -7.715910 . . . . . . . . A . 43 VAL C . . A . 44 ASN N . . . 43 . C . . . . . 44 . N . . rr_1rws 1
138 . 1 1 69 69 GLU C C . . . 1 1 70 70 VAL N N . . -6.103260 . . . . . . . . A . 61 GLU C . . A . 62 VAL N . . . 61 . C . . . . . 62 . N . . rr_1rws 1
139 . 1 1 13 13 LYS C C . . . 1 1 14 14 VAL N N . . -7.773800 . . . . . . . . A . 5 LYS C . . A . 6 VAL N . . . 5 . C . . . . . 6 . N . . rr_1rws 1
140 . 1 1 24 24 GLU C C . . . 1 1 25 25 ILE N N . . 1.976530 . . . . . . . . A . 16 GLU C . . A . 17 ILE N . . . 16 . C . . . . . 17 . N . . rr_1rws 1
141 . 1 1 22 22 GLU C C . . . 1 1 23 23 LYS N N . . -3.721500 . . . . . . . . A . 14 GLU C . . A . 15 LYS N . . . 14 . C . . . . . 15 . N . . rr_1rws 1
142 . 1 1 32 32 LYS C C . . . 1 1 33 33 VAL N N . . -3.200490 . . . . . . . . A . 24 LYS C . . A . 25 VAL N . . . 24 . C . . . . . 25 . N . . rr_1rws 1
143 . 1 1 54 54 LYS C C . . . 1 1 55 55 VAL N N . . 12.413270 . . . . . . . . A . 46 LYS C . . A . 47 VAL N . . . 46 . C . . . . . 47 . N . . rr_1rws 1
144 . 1 1 15 15 LYS C C . . . 1 1 16 16 VAL N N . . 4.995080 . . . . . . . . A . 7 LYS C . . A . 8 VAL N . . . 7 . C . . . . . 8 . N . . rr_1rws 1
145 . 1 1 26 26 GLU C C . . . 1 1 27 27 TRP N N . . -8.460210 . . . . . . . . A . 18 GLU C . . A . 19 TRP N . . . 18 . C . . . . . 19 . N . . rr_1rws 1
146 . 1 1 25 25 ILE C C . . . 1 1 26 26 GLU N N . . 2.497540 . . . . . . . . A . 17 ILE C . . A . 18 GLU N . . . 17 . C . . . . . 18 . N . . rr_1rws 1
147 . 1 1 14 14 VAL C C . . . 1 1 15 15 LYS N N . . 0.438310 . . . . . . . . A . 6 VAL C . . A . 7 LYS N . . . 6 . C . . . . . 7 . N . . rr_1rws 1
148 . 1 1 21 21 ILE C C . . . 1 1 22 22 GLU N N . . 9.502230 . . . . . . . . A . 13 ILE C . . A . 14 GLU N . . . 13 . C . . . . . 14 . N . . rr_1rws 1
149 . 1 1 50 50 LYS C C . . . 1 1 51 51 VAL N N . . 13.843980 . . . . . . . . A . 42 LYS C . . A . 43 VAL N . . . 42 . C . . . . . 43 . N . . rr_1rws 1
150 . 1 1 12 12 ILE C C . . . 1 1 13 13 LYS N N . . -9.254130 . . . . . . . . A . 4 ILE C . . A . 5 LYS N . . . 4 . C . . . . . 5 . N . . rr_1rws 1
151 . 1 1 73 73 VAL C C . . . 1 1 74 74 VAL N N . . -3.076440 . . . . . . . . A . 65 VAL C . . A . 66 VAL N . . . 65 . C . . . . . 66 . N . . rr_1rws 1
152 . 1 1 46 46 SER C C . . . 1 1 47 47 ALA N N . . -5.739380 . . . . . . . . A . 38 SER C . . A . 39 ALA N . . . 38 . C . . . . . 39 . N . . rr_1rws 1
153 . 1 1 72 72 PRO C C . . . 1 1 73 73 VAL N N . . 1.711890 . . . . . . . . A . 64 PRO C . . A . 65 VAL N . . . 64 . C . . . . . 65 . N . . rr_1rws 1
154 . 1 1 55 55 VAL C C . . . 1 1 56 56 VAL N N . . -5.565710 . . . . . . . . A . 47 VAL C . . A . 48 VAL N . . . 47 . C . . . . . 48 . N . . rr_1rws 1
155 . 1 1 66 66 ASP C C . . . 1 1 67 67 PHE N N . . -3.225300 . . . . . . . . A . 58 ASP C . . A . 59 PHE N . . . 58 . C . . . . . 59 . N . . rr_1rws 1
156 . 1 1 23 23 LYS C C . . . 1 1 24 24 GLU N N . . 10.866780 . . . . . . . . A . 15 LYS C . . A . 16 GLU N . . . 15 . C . . . . . 16 . N . . rr_1rws 1
157 . 1 1 56 56 VAL C C . . . 1 1 57 57 LEU N N . . -20.691540 . . . . . . . . A . 48 VAL C . . A . 49 LEU N . . . 48 . C . . . . . 49 . N . . rr_1rws 1
158 . 1 1 74 74 VAL C C . . . 1 1 75 75 SER N N . . -0.702950 . . . . . . . . A . 66 VAL C . . A . 67 SER N . . . 66 . C . . . . . 67 . N . . rr_1rws 1
159 . 1 1 60 60 ASP C C . . . 1 1 61 61 GLU N N . . 15.101020 . . . . . . . . A . 52 ASP C . . A . 53 GLU N . . . 52 . C . . . . . 53 . N . . rr_1rws 1
160 . 1 1 10 10 LYS C C . . . 1 1 11 11 MET N N . . -11.759940 . . . . . . . . A . 2 LYS C . . A . 3 MET N . . . 2 . C . . . . . 3 . N . . rr_1rws 1
161 . 1 1 41 41 GLY C C . . . 1 1 42 42 PHE N N . . -1.835940 . . . . . . . . A . 33 GLY C . . A . 34 PHE N . . . 33 . C . . . . . 34 . N . . rr_1rws 1
162 . 1 1 44 44 THR C C . . . 1 1 45 45 GLU N N . . -5.044700 . . . . . . . . A . 36 THR C . . A . 37 GLU N . . . 36 . C . . . . . 37 . N . . rr_1rws 1
163 . 1 1 19 19 ARG C C . . . 1 1 20 20 ASN N N . . 4.862760 . . . . . . . . A . 11 ARG C . . A . 12 ASN N . . . 11 . C . . . . . 12 . N . . rr_1rws 1
164 . 1 1 49 49 ALA C C . . . 1 1 50 50 LYS N N . . 16.647510 . . . . . . . . A . 41 ALA C . . A . 42 LYS N . . . 41 . C . . . . . 42 . N . . rr_1rws 1
165 . 1 1 47 47 ALA C C . . . 1 1 48 48 ILE N N . . -9.014300 . . . . . . . . A . 39 ALA C . . A . 40 ILE N . . . 39 . C . . . . . 40 . N . . rr_1rws 1
166 . 1 1 36 36 ILE C C . . . 1 1 37 37 LEU N N . . 6.037100 . . . . . . . . A . 28 ILE C . . A . 29 LEU N . . . 28 . C . . . . . 29 . N . . rr_1rws 1
167 . 1 1 33 33 VAL C C . . . 1 1 34 34 ARG N N . . 3.456860 . . . . . . . . A . 25 VAL C . . A . 26 ARG N . . . 25 . C . . . . . 26 . N . . rr_1rws 1
168 . 1 1 17 17 ILE C C . . . 1 1 18 18 GLY N N . . 0.992400 . . . . . . . . A . 9 ILE C . . A . 10 GLY N . . . 9 . C . . . . . 10 . N . . rr_1rws 1
169 . 1 1 29 29 GLU C C . . . 1 1 30 30 GLY N N . . -1.835940 . . . . . . . . A . 21 GLU C . . A . 22 GLY N . . . 21 . C . . . . . 22 . N . . rr_1rws 1
170 . 1 1 57 57 LEU C C . . . 1 1 58 58 GLU N N . . 1.025480 . . . . . . . . A . 49 LEU C . . A . 50 GLU N . . . 49 . C . . . . . 50 . N . . rr_1rws 1
171 . 1 1 7 7 HIS C C . . . 1 1 8 8 GLY N N . . 2.282520 . . . . . . . . . . . . . . . . . . . . . . . -1 . C . . . . . 0 . N . . rr_1rws 1
172 . 1 1 75 75 SER C C . . . 1 1 76 76 GLY N N . . -3.779390 . . . . . . . . A . 67 SER C . . A . 68 GLY N . . . 67 . C . . . . . 68 . N . . rr_1rws 1
173 . 1 1 43 43 ASN C C . . . 1 1 44 44 THR N N . . -2.621590 . . . . . . . . A . 35 ASN C . . A . 36 THR N . . . 35 . C . . . . . 36 . N . . rr_1rws 1
174 . 1 1 8 8 GLY C C . . . 1 1 9 9 SER N N . . 9.411260 . . . . . . . . . . . . . . . . . . . . . . . 0 . C . . . . . 1 . N . . rr_1rws 1
175 . 1 1 42 42 PHE C C . . . 1 1 43 43 ASN N N . . -2.365220 . . . . . . . . A . 34 PHE C . . A . 35 ASN N . . . 34 . C . . . . . 35 . N . . rr_1rws 1
176 . 1 1 76 76 GLY C C . . . 1 1 77 77 GLY N N . . 1.670540 . . . . . . . . A . 68 GLY C . . A . 69 GLY N . . . 68 . C . . . . . 69 . N . . rr_1rws 1
177 . 1 1 64 64 ASP C C . . . 1 1 65 65 GLY N N . . -1.132990 . . . . . . . . A . 56 ASP C . . A . 57 GLY N . . . 56 . C . . . . . 57 . N . . rr_1rws 1
178 . 1 1 45 45 GLU C C . . . 1 1 46 46 SER N N . . 6.169420 . . . . . . . . A . 37 GLU C . . A . 38 SER N . . . 37 . C . . . . . 38 . N . . rr_1rws 1
179 . 1 1 58 58 GLU C C . . . 1 1 59 59 ASP N N . . -6.243850 . . . . . . . . A . 50 GLU C . . A . 51 ASP N . . . 50 . C . . . . . 51 . N . . rr_1rws 1
180 . 1 1 61 61 GLU C C . . . 1 1 62 62 VAL N N . . 2.687750 . . . . . . . . A . 53 GLU C . . A . 54 VAL N . . . 53 . C . . . . . 54 . N . . rr_1rws 1
181 . 1 1 27 27 TRP C C . . . 1 1 28 28 ARG N N . . -24.934050 . . . . . . . . A . 19 TRP C . . A . 20 ARG N . . . 19 . C . . . . . 20 . N . . rr_1rws 1
182 . 1 1 35 35 ASP C C . . . 1 1 36 36 ILE N N . . -10.734460 . . . . . . . . A . 27 ASP C . . A . 28 ILE N . . . 27 . C . . . . . 28 . N . . rr_1rws 1
183 . 1 1 30 30 GLY C C . . . 1 1 31 31 MET N N . . 8.799280 . . . . . . . . A . 22 GLY C . . A . 23 MET N . . . 22 . C . . . . . 23 . N . . rr_1rws 1
184 . 1 1 38 38 ARG C C . . . 1 1 39 39 ALA N N . . 8.766200 . . . . . . . . A . 30 ARG C . . A . 31 ALA N . . . 30 . C . . . . . 31 . N . . rr_1rws 1
185 . 1 1 53 53 GLY C C . . . 1 1 54 54 LYS N N . . -4.044030 . . . . . . . . A . 45 GLY C . . A . 46 LYS N . . . 45 . C . . . . . 46 . N . . rr_1rws 1
186 . 1 1 65 65 GLY C C . . . 1 1 66 66 ASP N N . . 3.018550 . . . . . . . . A . 57 GLY C . . A . 58 ASP N . . . 57 . C . . . . . 58 . N . . rr_1rws 1
187 . 1 1 28 28 ARG C C . . . 1 1 29 29 GLU N N . . 0.752570 . . . . . . . . A . 20 ARG C . . A . 21 GLU N . . . 20 . C . . . . . 21 . N . . rr_1rws 1
188 . 1 1 59 59 ASP C C . . . 1 1 60 60 ASP N N . . -8.460210 . . . . . . . . A . 51 ASP C . . A . 52 ASP N . . . 51 . C . . . . . 52 . N . . rr_1rws 1
189 . 1 1 34 34 ARG C C . . . 1 1 35 35 ASP N N . . 17.333920 . . . . . . . . A . 26 ARG C . . A . 27 ASP N . . . 26 . C . . . . . 27 . N . . rr_1rws 1
190 . 1 1 37 37 LEU C C . . . 1 1 38 38 ARG N N . . -2.902770 . . . . . . . . A . 29 LEU C . . A . 30 ARG N . . . 29 . C . . . . . 30 . N . . rr_1rws 1
191 . 1 1 63 63 LYS C C . . . 1 1 64 64 ASP N N . . 17.209870 . . . . . . . . A . 55 LYS C . . A . 56 ASP N . . . 55 . C . . . . . 56 . N . . rr_1rws 1
192 . 1 1 18 18 GLY C C . . . 1 1 19 19 ARG N N . . -9.742060 . . . . . . . . A . 10 GLY C . . A . 11 ARG N . . . 10 . C . . . . . 11 . N . . rr_1rws 1
193 . 1 1 20 20 ASN C C . . . 1 1 21 21 ILE N N . . -4.267320 . . . . . . . . A . 12 ASN C . . A . 13 ILE N . . . 12 . C . . . . . 13 . N . . rr_1rws 1
194 . 1 1 39 39 ALA C C . . . 1 1 40 40 VAL N N . . -11.453950 . . . . . . . . A . 31 ALA C . . A . 32 VAL N . . . 31 . C . . . . . 32 . N . . rr_1rws 1
195 . 1 1 40 40 VAL C C . . . 1 1 41 41 GLY N N . . -13.471830 . . . . . . . . A . 32 VAL C . . A . 33 GLY N . . . 32 . C . . . . . 33 . N . . rr_1rws 1
196 . 1 1 48 48 ILE C C . . . 1 1 49 49 ALA H H . . 0.898400 . . . . . . . . A . 40 ILE C . . A . 41 ALA H . . . 40 . C . . . . . 41 . HN . . rr_1rws 1
197 . 1 1 68 68 VAL C C . . . 1 1 69 69 GLU H H . . -2.727200 . . . . . . . . A . 60 VAL C . . A . 61 GLU H . . . 60 . C . . . . . 61 . HN . . rr_1rws 1
198 . 1 1 9 9 SER C C . . . 1 1 10 10 LYS H H . . 0.199200 . . . . . . . . . . . . . . . A . 2 LYS H . . . 1 . C . . . . . 2 . HN . . rr_1rws 1
199 . 1 1 31 31 MET C C . . . 1 1 32 32 LYS H H . . -1.998800 . . . . . . . . A . 23 MET C . . A . 24 LYS H . . . 23 . C . . . . . 24 . HN . . rr_1rws 1
200 . 1 1 11 11 MET C C . . . 1 1 12 12 ILE H H . . 0.869600 . . . . . . . . A . 3 MET C . . A . 4 ILE H . . . 3 . C . . . . . 4 . HN . . rr_1rws 1
201 . 1 1 62 62 VAL C C . . . 1 1 63 63 LYS H H . . -2.085200 . . . . . . . . A . 54 VAL C . . A . 55 LYS H . . . 54 . C . . . . . 55 . HN . . rr_1rws 1
202 . 1 1 70 70 VAL C C . . . 1 1 71 71 ILE H H . . -1.816000 . . . . . . . . A . 62 VAL C . . A . 63 ILE H . . . 62 . C . . . . . 63 . HN . . rr_1rws 1
203 . 1 1 67 67 PHE C C . . . 1 1 68 68 VAL H H . . -2.329200 . . . . . . . . A . 59 PHE C . . A . 60 VAL H . . . 59 . C . . . . . 60 . HN . . rr_1rws 1
204 . 1 1 16 16 VAL C C . . . 1 1 17 17 ILE H H . . -1.030800 . . . . . . . . A . 8 VAL C . . A . 9 ILE H . . . 8 . C . . . . . 9 . HN . . rr_1rws 1
205 . 1 1 52 52 ASN C C . . . 1 1 53 53 GLY H H . . 0.041200 . . . . . . . . A . 44 ASN C . . A . 45 GLY H . . . 44 . C . . . . . 45 . HN . . rr_1rws 1
206 . 1 1 51 51 VAL C C . . . 1 1 52 52 ASN H H . . -0.909200 . . . . . . . . A . 43 VAL C . . A . 44 ASN H . . . 43 . C . . . . . 44 . HN . . rr_1rws 1
207 . 1 1 69 69 GLU C C . . . 1 1 70 70 VAL H H . . 1.221200 . . . . . . . . A . 61 GLU C . . A . 62 VAL H . . . 61 . C . . . . . 62 . HN . . rr_1rws 1
208 . 1 1 13 13 LYS C C . . . 1 1 14 14 VAL H H . . -0.146800 . . . . . . . . A . 5 LYS C . . A . 6 VAL H . . . 5 . C . . . . . 6 . HN . . rr_1rws 1
209 . 1 1 24 24 GLU C C . . . 1 1 25 25 ILE H H . . -3.576000 . . . . . . . . A . 16 GLU C . . A . 17 ILE H . . . 16 . C . . . . . 17 . HN . . rr_1rws 1
210 . 1 1 22 22 GLU C C . . . 1 1 23 23 LYS H H . . -0.948400 . . . . . . . . A . 14 GLU C . . A . 15 LYS H . . . 14 . C . . . . . 15 . HN . . rr_1rws 1
211 . 1 1 32 32 LYS C C . . . 1 1 33 33 VAL H H . . 2.082000 . . . . . . . . A . 24 LYS C . . A . 25 VAL H . . . 24 . C . . . . . 25 . HN . . rr_1rws 1
212 . 1 1 54 54 LYS C C . . . 1 1 55 55 VAL H H . . -0.554800 . . . . . . . . A . 46 LYS C . . A . 47 VAL H . . . 46 . C . . . . . 47 . HN . . rr_1rws 1
213 . 1 1 15 15 LYS C C . . . 1 1 16 16 VAL H H . . 0.273200 . . . . . . . . A . 7 LYS C . . A . 8 VAL H . . . 7 . C . . . . . 8 . HN . . rr_1rws 1
214 . 1 1 26 26 GLU C C . . . 1 1 27 27 TRP H H . . 0.219200 . . . . . . . . A . 18 GLU C . . A . 19 TRP H . . . 18 . C . . . . . 19 . HN . . rr_1rws 1
215 . 1 1 25 25 ILE C C . . . 1 1 26 26 GLU H H . . 1.283200 . . . . . . . . A . 17 ILE C . . A . 18 GLU H . . . 17 . C . . . . . 18 . HN . . rr_1rws 1
216 . 1 1 14 14 VAL C C . . . 1 1 15 15 LYS H H . . -2.323200 . . . . . . . . A . 6 VAL C . . A . 7 LYS H . . . 6 . C . . . . . 7 . HN . . rr_1rws 1
217 . 1 1 21 21 ILE C C . . . 1 1 22 22 GLU H H . . 0.570400 . . . . . . . . A . 13 ILE C . . A . 14 GLU H . . . 13 . C . . . . . 14 . HN . . rr_1rws 1
218 . 1 1 50 50 LYS C C . . . 1 1 51 51 VAL H H . . 0.230800 . . . . . . . . A . 42 LYS C . . A . 43 VAL H . . . 42 . C . . . . . 43 . HN . . rr_1rws 1
219 . 1 1 12 12 ILE C C . . . 1 1 13 13 LYS H H . . -0.126800 . . . . . . . . A . 4 ILE C . . A . 5 LYS H . . . 4 . C . . . . . 5 . HN . . rr_1rws 1
220 . 1 1 73 73 VAL C C . . . 1 1 74 74 VAL H H . . 0.422800 . . . . . . . . A . 65 VAL C . . A . 66 VAL H . . . 65 . C . . . . . 66 . HN . . rr_1rws 1
221 . 1 1 46 46 SER C C . . . 1 1 47 47 ALA H H . . -0.235200 . . . . . . . . A . 38 SER C . . A . 39 ALA H . . . 38 . C . . . . . 39 . HN . . rr_1rws 1
222 . 1 1 72 72 PRO C C . . . 1 1 73 73 VAL H H . . 0.434400 . . . . . . . . A . 64 PRO C . . A . 65 VAL H . . . 64 . C . . . . . 65 . HN . . rr_1rws 1
223 . 1 1 55 55 VAL C C . . . 1 1 56 56 VAL H H . . 0.138000 . . . . . . . . A . 47 VAL C . . A . 48 VAL H . . . 47 . C . . . . . 48 . HN . . rr_1rws 1
224 . 1 1 66 66 ASP C C . . . 1 1 67 67 PHE H H . . 0.386000 . . . . . . . . A . 58 ASP C . . A . 59 PHE H . . . 58 . C . . . . . 59 . HN . . rr_1rws 1
225 . 1 1 23 23 LYS C C . . . 1 1 24 24 GLU H H . . -1.959200 . . . . . . . . A . 15 LYS C . . A . 16 GLU H . . . 15 . C . . . . . 16 . HN . . rr_1rws 1
226 . 1 1 56 56 VAL C C . . . 1 1 57 57 LEU H H . . -0.370000 . . . . . . . . A . 48 VAL C . . A . 49 LEU H . . . 48 . C . . . . . 49 . HN . . rr_1rws 1
227 . 1 1 74 74 VAL C C . . . 1 1 75 75 SER H H . . 0.048000 . . . . . . . . A . 66 VAL C . . A . 67 SER H . . . 66 . C . . . . . 67 . HN . . rr_1rws 1
228 . 1 1 60 60 ASP C C . . . 1 1 61 61 GLU H H . . -0.666800 . . . . . . . . A . 52 ASP C . . A . 53 GLU H . . . 52 . C . . . . . 53 . HN . . rr_1rws 1
229 . 1 1 10 10 LYS C C . . . 1 1 11 11 MET H H . . 2.741600 . . . . . . . . A . 2 LYS C . . A . 3 MET H . . . 2 . C . . . . . 3 . HN . . rr_1rws 1
230 . 1 1 41 41 GLY C C . . . 1 1 42 42 PHE H H . . 1.556800 . . . . . . . . A . 33 GLY C . . A . 34 PHE H . . . 33 . C . . . . . 34 . HN . . rr_1rws 1
231 . 1 1 44 44 THR C C . . . 1 1 45 45 GLU H H . . 0.599600 . . . . . . . . A . 36 THR C . . A . 37 GLU H . . . 36 . C . . . . . 37 . HN . . rr_1rws 1
232 . 1 1 19 19 ARG C C . . . 1 1 20 20 ASN H H . . 1.473200 . . . . . . . . A . 11 ARG C . . A . 12 ASN H . . . 11 . C . . . . . 12 . HN . . rr_1rws 1
233 . 1 1 49 49 ALA C C . . . 1 1 50 50 LYS H H . . 0.352800 . . . . . . . . A . 41 ALA C . . A . 42 LYS H . . . 41 . C . . . . . 42 . HN . . rr_1rws 1
234 . 1 1 47 47 ALA C C . . . 1 1 48 48 ILE H H . . 1.877200 . . . . . . . . A . 39 ALA C . . A . 40 ILE H . . . 39 . C . . . . . 40 . HN . . rr_1rws 1
235 . 1 1 36 36 ILE C C . . . 1 1 37 37 LEU H H . . 0.384000 . . . . . . . . A . 28 ILE C . . A . 29 LEU H . . . 28 . C . . . . . 29 . HN . . rr_1rws 1
236 . 1 1 33 33 VAL C C . . . 1 1 34 34 ARG H H . . -0.582400 . . . . . . . . A . 25 VAL C . . A . 26 ARG H . . . 25 . C . . . . . 26 . HN . . rr_1rws 1
237 . 1 1 17 17 ILE C C . . . 1 1 18 18 GLY H H . . -0.231200 . . . . . . . . A . 9 ILE C . . A . 10 GLY H . . . 9 . C . . . . . 10 . HN . . rr_1rws 1
238 . 1 1 29 29 GLU C C . . . 1 1 30 30 GLY H H . . 0.798000 . . . . . . . . A . 21 GLU C . . A . 22 GLY H . . . 21 . C . . . . . 22 . HN . . rr_1rws 1
239 . 1 1 57 57 LEU C C . . . 1 1 58 58 GLU H H . . -0.260400 . . . . . . . . A . 49 LEU C . . A . 50 GLU H . . . 49 . C . . . . . 50 . HN . . rr_1rws 1
240 . 1 1 7 7 HIS C C . . . 1 1 8 8 GLY H H . . -0.917200 . . . . . . . . . . . . . . . . . . . . . . . -1 . C . . . . . 0 . HN . . rr_1rws 1
241 . 1 1 75 75 SER C C . . . 1 1 76 76 GLY H H . . 0.148400 . . . . . . . . A . 67 SER C . . A . 68 GLY H . . . 67 . C . . . . . 68 . HN . . rr_1rws 1
242 . 1 1 43 43 ASN C C . . . 1 1 44 44 THR H H . . -0.114000 . . . . . . . . A . 35 ASN C . . A . 36 THR H . . . 35 . C . . . . . 36 . HN . . rr_1rws 1
243 . 1 1 8 8 GLY C C . . . 1 1 9 9 SER H H . . -0.374400 . . . . . . . . . . . . . . . . . . . . . . . 0 . C . . . . . 1 . HN . . rr_1rws 1
244 . 1 1 42 42 PHE C C . . . 1 1 43 43 ASN H H . . -1.936400 . . . . . . . . A . 34 PHE C . . A . 35 ASN H . . . 34 . C . . . . . 35 . HN . . rr_1rws 1
245 . 1 1 76 76 GLY C C . . . 1 1 77 77 GLY H H . . -0.070800 . . . . . . . . A . 68 GLY C . . A . 69 GLY H . . . 68 . C . . . . . 69 . HN . . rr_1rws 1
246 . 1 1 64 64 ASP C C . . . 1 1 65 65 GLY H H . . -1.006000 . . . . . . . . A . 56 ASP C . . A . 57 GLY H . . . 56 . C . . . . . 57 . HN . . rr_1rws 1
247 . 1 1 45 45 GLU C C . . . 1 1 46 46 SER H H . . -0.992000 . . . . . . . . A . 37 GLU C . . A . 38 SER H . . . 37 . C . . . . . 38 . HN . . rr_1rws 1
248 . 1 1 58 58 GLU C C . . . 1 1 59 59 ASP H H . . 0.844000 . . . . . . . . A . 50 GLU C . . A . 51 ASP H . . . 50 . C . . . . . 51 . HN . . rr_1rws 1
249 . 1 1 61 61 GLU C C . . . 1 1 62 62 VAL H H . . 0.532800 . . . . . . . . A . 53 GLU C . . A . 54 VAL H . . . 53 . C . . . . . 54 . HN . . rr_1rws 1
250 . 1 1 27 27 TRP C C . . . 1 1 28 28 ARG H H . . -0.928000 . . . . . . . . A . 19 TRP C . . A . 20 ARG H . . . 19 . C . . . . . 20 . HN . . rr_1rws 1
251 . 1 1 35 35 ASP C C . . . 1 1 36 36 ILE H H . . 0.046000 . . . . . . . . A . 27 ASP C . . A . 28 ILE H . . . 27 . C . . . . . 28 . HN . . rr_1rws 1
252 . 1 1 30 30 GLY C C . . . 1 1 31 31 MET H H . . -0.329200 . . . . . . . . A . 22 GLY C . . A . 23 MET H . . . 22 . C . . . . . 23 . HN . . rr_1rws 1
253 . 1 1 38 38 ARG C C . . . 1 1 39 39 ALA H H . . 0.106000 . . . . . . . . A . 30 ARG C . . A . 31 ALA H . . . 30 . C . . . . . 31 . HN . . rr_1rws 1
254 . 1 1 53 53 GLY C C . . . 1 1 54 54 LYS H H . . 0.264000 . . . . . . . . A . 45 GLY C . . A . 46 LYS H . . . 45 . C . . . . . 46 . HN . . rr_1rws 1
255 . 1 1 65 65 GLY C C . . . 1 1 66 66 ASP H H . . -0.020000 . . . . . . . . A . 57 GLY C . . A . 58 ASP H . . . 57 . C . . . . . 58 . HN . . rr_1rws 1
256 . 1 1 28 28 ARG C C . . . 1 1 29 29 GLU H H . . -1.181200 . . . . . . . . A . 20 ARG C . . A . 21 GLU H . . . 20 . C . . . . . 21 . HN . . rr_1rws 1
257 . 1 1 59 59 ASP C C . . . 1 1 60 60 ASP H H . . 0.395600 . . . . . . . . A . 51 ASP C . . A . 52 ASP H . . . 51 . C . . . . . 52 . HN . . rr_1rws 1
258 . 1 1 34 34 ARG C C . . . 1 1 35 35 ASP H H . . -1.199200 . . . . . . . . A . 26 ARG C . . A . 27 ASP H . . . 26 . C . . . . . 27 . HN . . rr_1rws 1
259 . 1 1 37 37 LEU C C . . . 1 1 38 38 ARG H H . . 0.127600 . . . . . . . . A . 29 LEU C . . A . 30 ARG H . . . 29 . C . . . . . 30 . HN . . rr_1rws 1
260 . 1 1 63 63 LYS C C . . . 1 1 64 64 ASP H H . . -1.771200 . . . . . . . . A . 55 LYS C . . A . 56 ASP H . . . 55 . C . . . . . 56 . HN . . rr_1rws 1
261 . 1 1 18 18 GLY C C . . . 1 1 19 19 ARG H H . . -1.121200 . . . . . . . . A . 10 GLY C . . A . 11 ARG H . . . 10 . C . . . . . 11 . HN . . rr_1rws 1
262 . 1 1 20 20 ASN C C . . . 1 1 21 21 ILE H H . . 2.935600 . . . . . . . . A . 12 ASN C . . A . 13 ILE H . . . 12 . C . . . . . 13 . HN . . rr_1rws 1
263 . 1 1 39 39 ALA C C . . . 1 1 40 40 VAL H H . . -1.114800 . . . . . . . . A . 31 ALA C . . A . 32 VAL H . . . 31 . C . . . . . 32 . HN . . rr_1rws 1
264 . 1 1 40 40 VAL C C . . . 1 1 41 41 GLY H H . . 1.051600 . . . . . . . . A . 32 VAL C . . A . 33 GLY H . . . 32 . C . . . . . 33 . HN . . rr_1rws 1
265 . 1 1 49 49 ALA HA H . . . 1 1 49 49 ALA H H . . -0.024200 -0.3242 0.2758 . . . . . . A . 41 ALA HA . . A . 41 ALA H . . . 41 . HA . . . . . 41 . HN . . rr_1rws 1
266 . 1 1 69 69 GLU HA H . . . 1 1 69 69 GLU H H . . -0.123200 -0.4232 0.1768 . . . . . . A . 61 GLU HA . . A . 61 GLU H . . . 61 . HA . . . . . 61 . HN . . rr_1rws 1
267 . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS H H . . 0.310605 -0.289395 0.910605 . . . . . . A . 2 LYS HA . . A . 2 LYS H . . . 2 . HA . . . . . 2 . HN . . rr_1rws 1
268 . 1 1 32 32 LYS HA H . . . 1 1 32 32 LYS H H . . 0.471500 -0.1285 1.0715 . . . . . . A . 24 LYS HA . . A . 24 LYS H . . . 24 . HA . . . . . 24 . HN . . rr_1rws 1
269 . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE H H . . 0.286500 -0.0135 0.5865 . . . . . . A . 4 ILE HA . . A . 4 ILE H . . . 4 . HA . . . . . 4 . HN . . rr_1rws 1
270 . 1 1 63 63 LYS HA H . . . 1 1 63 63 LYS H H . . -0.380100 -0.6801 -0.0801 . . . . . . A . 55 LYS HA . . A . 55 LYS H . . . 55 . HA . . . . . 55 . HN . . rr_1rws 1
271 . 1 1 71 71 ILE HA H . . . 1 1 71 71 ILE H H . . 0.110400 -0.1896 0.4104 . . . . . . A . 63 ILE HA . . A . 63 ILE H . . . 63 . HA . . . . . 63 . HN . . rr_1rws 1
272 . 1 1 68 68 VAL HA H . . . 1 1 68 68 VAL H H . . -0.082100 -0.3821 0.2179 . . . . . . A . 60 VAL HA . . A . 60 VAL H . . . 60 . HA . . . . . 60 . HN . . rr_1rws 1
273 . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE H H . . 0.122649 -0.477351 0.722649 . . . . . . A . 9 ILE HA . . A . 9 ILE H . . . 9 . HA . . . . . 9 . HN . . rr_1rws 1
274 . 1 1 52 52 ASN HA H . . . 1 1 52 52 ASN H H . . 0.805300 0.5053 1.1053 . . . . . . A . 44 ASN HA . . A . 44 ASN H . . . 44 . HA . . . . . 44 . HN . . rr_1rws 1
275 . 1 1 70 70 VAL HA H . . . 1 1 70 70 VAL H H . . -0.271900 -0.5719 0.0281 . . . . . . A . 62 VAL HA . . A . 62 VAL H . . . 62 . HA . . . . . 62 . HN . . rr_1rws 1
276 . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL H H . . -0.330600 -0.6306 -0.0306 . . . . . . A . 6 VAL HA . . A . 6 VAL H . . . 6 . HA . . . . . 6 . HN . . rr_1rws 1
277 . 1 1 25 25 ILE HA H . . . 1 1 25 25 ILE H H . . 0.237500 -0.3625 0.8375 . . . . . . A . 17 ILE HA . . A . 17 ILE H . . . 17 . HA . . . . . 17 . HN . . rr_1rws 1
278 . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS H H . . -0.002200 -0.6022 0.5978 . . . . . . A . 15 LYS HA . . A . 15 LYS H . . . 15 . HA . . . . . 15 . HN . . rr_1rws 1
279 . 1 1 33 33 VAL HA H . . . 1 1 33 33 VAL H H . . 0.055800 -0.2442 0.3558 . . . . . . A . 25 VAL HA . . A . 25 VAL H . . . 25 . HA . . . . . 25 . HN . . rr_1rws 1
280 . 1 1 55 55 VAL HA H . . . 1 1 55 55 VAL H H . . 0.245700 -0.0543 0.5457 . . . . . . A . 47 VAL HA . . A . 47 VAL H . . . 47 . HA . . . . . 47 . HN . . rr_1rws 1
281 . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL H H . . -0.432400 -0.7324 -0.1324 . . . . . . A . 8 VAL HA . . A . 8 VAL H . . . 8 . HA . . . . . 8 . HN . . rr_1rws 1
282 . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU H H . . -0.054400 -0.6544 0.5456 . . . . . . A . 18 GLU HA . . A . 18 GLU H . . . 18 . HA . . . . . 18 . HN . . rr_1rws 1
283 . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS H H . . 0.132600 -0.1674 0.4326 . . . . . . A . 7 LYS HA . . A . 7 LYS H . . . 7 . HA . . . . . 7 . HN . . rr_1rws 1
284 . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU H H . . -0.288300 -0.5883 0.0117 . . . . . . A . 14 GLU HA . . A . 14 GLU H . . . 14 . HA . . . . . 14 . HN . . rr_1rws 1
285 . 1 1 51 51 VAL HA H . . . 1 1 51 51 VAL H H . . -0.210500 -0.5105 0.0895 . . . . . . A . 43 VAL HA . . A . 43 VAL H . . . 43 . HA . . . . . 43 . HN . . rr_1rws 1
286 . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS H H . . 0.193300 -0.1067 0.4933 . . . . . . A . 5 LYS HA . . A . 5 LYS H . . . 5 . HA . . . . . 5 . HN . . rr_1rws 1
287 . 1 1 74 74 VAL HA H . . . 1 1 74 74 VAL H H . . 0.115700 -0.1843 0.4157 . . . . . . A . 66 VAL HA . . A . 66 VAL H . . . 66 . HA . . . . . 66 . HN . . rr_1rws 1
288 . 1 1 47 47 ALA HA H . . . 1 1 47 47 ALA H H . . 0.253600 -0.0464 0.5536 . . . . . . A . 39 ALA HA . . A . 39 ALA H . . . 39 . HA . . . . . 39 . HN . . rr_1rws 1
289 . 1 1 56 56 VAL HA H . . . 1 1 56 56 VAL H H . . 0.039400 -0.2606 0.3394 . . . . . . A . 48 VAL HA . . A . 48 VAL H . . . 48 . HA . . . . . 48 . HN . . rr_1rws 1
290 . 1 1 67 67 PHE HA H . . . 1 1 67 67 PHE H H . . -0.140570 -0.44057 0.15943 . . . . . . A . 59 PHE HA . . A . 59 PHE H . . . 59 . HA . . . . . 59 . HN . . rr_1rws 1
291 . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU H H . . 0.143100 -0.1569 0.4431 . . . . . . A . 16 GLU HA . . A . 16 GLU H . . . 16 . HA . . . . . 16 . HN . . rr_1rws 1
292 . 1 1 57 57 LEU HA H . . . 1 1 57 57 LEU H H . . -0.271800 -0.5718 0.0282 . . . . . . A . 49 LEU HA . . A . 49 LEU H . . . 49 . HA . . . . . 49 . HN . . rr_1rws 1
293 . 1 1 75 75 SER HA H . . . 1 1 75 75 SER H H . . 0.065900 -0.2341 0.3659 . . . . . . A . 67 SER HA . . A . 67 SER H . . . 67 . HA . . . . . 67 . HN . . rr_1rws 1
294 . 1 1 61 61 GLU HA H . . . 1 1 61 61 GLU H H . . 0.352000 0.052 0.652 . . . . . . A . 53 GLU HA . . A . 53 GLU H . . . 53 . HA . . . . . 53 . HN . . rr_1rws 1
295 . 1 1 11 11 MET HA H . . . 1 1 11 11 MET H H . . 0.070200 -0.2298 0.3702 . . . . . . A . 3 MET HA . . A . 3 MET H . . . 3 . HA . . . . . 3 . HN . . rr_1rws 1
296 . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE H H . . -0.494600 -0.7946 -0.1946 . . . . . . A . 34 PHE HA . . A . 34 PHE H . . . 34 . HA . . . . . 34 . HN . . rr_1rws 1
297 . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU H H . . -0.108200 -0.4082 0.1918 . . . . . . A . 37 GLU HA . . A . 37 GLU H . . . 37 . HA . . . . . 37 . HN . . rr_1rws 1
298 . 1 1 20 20 ASN HA H . . . 1 1 20 20 ASN H H . . -0.797100 -1.0971 -0.4971 . . . . . . A . 12 ASN HA . . A . 12 ASN H . . . 12 . HA . . . . . 12 . HN . . rr_1rws 1
299 . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS H H . . 0.303800 0.0038 0.6038 . . . . . . A . 42 LYS HA . . A . 42 LYS H . . . 42 . HA . . . . . 42 . HN . . rr_1rws 1
300 . 1 1 48 48 ILE HA H . . . 1 1 48 48 ILE H H . . 0.028300 -0.2717 0.3283 . . . . . . A . 40 ILE HA . . A . 40 ILE H . . . 40 . HA . . . . . 40 . HN . . rr_1rws 1
301 . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU H H . . -0.069600 -0.3696 0.2304 . . . . . . A . 29 LEU HA . . A . 29 LEU H . . . 29 . HA . . . . . 29 . HN . . rr_1rws 1
302 . 1 1 34 34 ARG HA H . . . 1 1 34 34 ARG H H . . -0.157100 -0.4571 0.1429 . . . . . . A . 26 ARG HA . . A . 26 ARG H . . . 26 . HA . . . . . 26 . HN . . rr_1rws 1
303 . 1 1 58 58 GLU HA H . . . 1 1 58 58 GLU H H . . 0.099500 -0.2005 0.3995 . . . . . . A . 50 GLU HA . . A . 50 GLU H . . . 50 . HA . . . . . 50 . HN . . rr_1rws 1
304 . 1 1 44 44 THR HA H . . . 1 1 44 44 THR H H . . 0.324000 0.024 0.624 . . . . . . A . 36 THR HA . . A . 36 THR H . . . 36 . HA . . . . . 36 . HN . . rr_1rws 1
305 . 1 1 9 9 SER HA H . . . 1 1 9 9 SER H H . . 0.175600 -0.1244 0.4756 . . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . HN . . rr_1rws 1
306 . 1 1 43 43 ASN HA H . . . 1 1 43 43 ASN H H . . 0.022400 -0.2776 0.3224 . . . . . . A . 35 ASN HA . . A . 35 ASN H . . . 35 . HA . . . . . 35 . HN . . rr_1rws 1
307 . 1 1 46 46 SER HA H . . . 1 1 46 46 SER H H . . -0.188700 -0.4887 0.1113 . . . . . . A . 38 SER HA . . A . 38 SER H . . . 38 . HA . . . . . 38 . HN . . rr_1rws 1
308 . 1 1 59 59 ASP HA H . . . 1 1 59 59 ASP H H . . -0.245000 -0.545 0.055 . . . . . . A . 51 ASP HA . . A . 51 ASP H . . . 51 . HA . . . . . 51 . HN . . rr_1rws 1
309 . 1 1 62 62 VAL HA H . . . 1 1 62 62 VAL H H . . 0.545300 0.2453 0.8453 . . . . . . A . 54 VAL HA . . A . 54 VAL H . . . 54 . HA . . . . . 54 . HN . . rr_1rws 1
310 . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG H H . . -0.199900 -0.4999 0.1001 . . . . . . A . 20 ARG HA . . A . 20 ARG H . . . 20 . HA . . . . . 20 . HN . . rr_1rws 1
311 . 1 1 36 36 ILE HA H . . . 1 1 36 36 ILE H H . . 0.158700 -0.1413 0.4587 . . . . . . A . 28 ILE HA . . A . 28 ILE H . . . 28 . HA . . . . . 28 . HN . . rr_1rws 1
312 . 1 1 31 31 MET HA H . . . 1 1 31 31 MET H H . . -0.231700 -0.5317 0.0683 . . . . . . A . 23 MET HA . . A . 23 MET H . . . 23 . HA . . . . . 23 . HN . . rr_1rws 1
313 . 1 1 39 39 ALA HA H . . . 1 1 39 39 ALA H H . . 0.122400 -0.1776 0.4224 . . . . . . A . 31 ALA HA . . A . 31 ALA H . . . 31 . HA . . . . . 31 . HN . . rr_1rws 1
314 . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS H H . . -0.172400 -0.4724 0.1276 . . . . . . A . 46 LYS HA . . A . 46 LYS H . . . 46 . HA . . . . . 46 . HN . . rr_1rws 1
315 . 1 1 66 66 ASP HA H . . . 1 1 66 66 ASP H H . . 0.201700 -0.0983 0.5017 . . . . . . A . 58 ASP HA . . A . 58 ASP H . . . 58 . HA . . . . . 58 . HN . . rr_1rws 1
316 . 1 1 29 29 GLU HA H . . . 1 1 29 29 GLU H H . . 0.186500 -0.1135 0.4865 . . . . . . A . 21 GLU HA . . A . 21 GLU H . . . 21 . HA . . . . . 21 . HN . . rr_1rws 1
317 . 1 1 60 60 ASP HA H . . . 1 1 60 60 ASP H H . . -0.114800 -0.4148 0.1852 . . . . . . A . 52 ASP HA . . A . 52 ASP H . . . 52 . HA . . . . . 52 . HN . . rr_1rws 1
318 . 1 1 35 35 ASP HA H . . . 1 1 35 35 ASP H H . . 0.203200 -0.0968 0.5032 . . . . . . A . 27 ASP HA . . A . 27 ASP H . . . 27 . HA . . . . . 27 . HN . . rr_1rws 1
319 . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG H H . . 0.211900 -0.0881 0.5119 . . . . . . A . 30 ARG HA . . A . 30 ARG H . . . 30 . HA . . . . . 30 . HN . . rr_1rws 1
320 . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG H H . . 0.111500 -0.1885 0.4115 . . . . . . A . 11 ARG HA . . A . 11 ARG H . . . 11 . HA . . . . . 11 . HN . . rr_1rws 1
321 . 1 1 21 21 ILE HA H . . . 1 1 21 21 ILE H H . . 0.011700 -0.2883 0.3117 . . . . . . A . 13 ILE HA . . A . 13 ILE H . . . 13 . HA . . . . . 13 . HN . . rr_1rws 1
322 . 1 1 40 40 VAL HA H . . . 1 1 40 40 VAL H H . . 0.199400 -0.1006 0.4994 . . . . . . A . 32 VAL HA . . A . 32 VAL H . . . 32 . HA . . . . . 32 . HN . . rr_1rws 1
323 . 1 1 48 48 ILE HA H . . . 1 1 49 49 ALA H H . . -0.797500 -1.0975 -0.4975 . . . . . . A . 40 ILE HA . . A . 41 ALA H . . . 40 . HA . . . . . 41 . HN . . rr_1rws 1
324 . 1 1 68 68 VAL HA H . . . 1 1 69 69 GLU H H . . -0.472500 -0.7725 -0.1725 . . . . . . A . 60 VAL HA . . A . 61 GLU H . . . 60 . HA . . . . . 61 . HN . . rr_1rws 1
325 . 1 1 9 9 SER HA H . . . 1 1 10 10 LYS H H . . -0.411800 -1.0118 0.1882 . . . . . . . . . . . . . A . 2 LYS H . . . 1 . HA . . . . . 2 . HN . . rr_1rws 1
326 . 1 1 31 31 MET HA H . . . 1 1 32 32 LYS H H . . 0.438700 -0.1613 1.0387 . . . . . . A . 23 MET HA . . A . 24 LYS H . . . 23 . HA . . . . . 24 . HN . . rr_1rws 1
327 . 1 1 11 11 MET HA H . . . 1 1 12 12 ILE H H . . -0.717400 -1.0174 -0.4174 . . . . . . A . 3 MET HA . . A . 4 ILE H . . . 3 . HA . . . . . 4 . HN . . rr_1rws 1
328 . 1 1 62 62 VAL HA H . . . 1 1 63 63 LYS H H . . -0.725300 -1.0253 -0.4253 . . . . . . A . 54 VAL HA . . A . 55 LYS H . . . 54 . HA . . . . . 55 . HN . . rr_1rws 1
329 . 1 1 70 70 VAL HA H . . . 1 1 71 71 ILE H H . . -1.116900 -1.4169 -0.8169 . . . . . . A . 62 VAL HA . . A . 63 ILE H . . . 62 . HA . . . . . 63 . HN . . rr_1rws 1
330 . 1 1 67 67 PHE HA H . . . 1 1 68 68 VAL H H . . -0.773900 -1.0739 -0.4739 . . . . . . A . 59 PHE HA . . A . 60 VAL H . . . 59 . HA . . . . . 60 . HN . . rr_1rws 1
331 . 1 1 16 16 VAL HA H . . . 1 1 17 17 ILE H H . . -0.363574 -0.963574 0.236426 . . . . . . A . 8 VAL HA . . A . 9 ILE H . . . 8 . HA . . . . . 9 . HN . . rr_1rws 1
332 . 1 1 52 52 ASN HA H . . . 1 1 53 53 GLY H H . . -0.447500 -0.7475 -0.1475 . . . . . . A . 44 ASN HA . . A . 45 GLY H . . . 44 . HA . . . . . 45 . HN . . rr_1rws 1
333 . 1 1 51 51 VAL HA H . . . 1 1 52 52 ASN H H . . -0.311200 -0.6112 -0.0112 . . . . . . A . 43 VAL HA . . A . 44 ASN H . . . 43 . HA . . . . . 44 . HN . . rr_1rws 1
334 . 1 1 69 69 GLU HA H . . . 1 1 70 70 VAL H H . . -0.389600 -0.6896 -0.0896 . . . . . . A . 61 GLU HA . . A . 62 VAL H . . . 61 . HA . . . . . 62 . HN . . rr_1rws 1
335 . 1 1 13 13 LYS HA H . . . 1 1 14 14 VAL H H . . -1.367000 -1.667 -1.067 . . . . . . A . 5 LYS HA . . A . 6 VAL H . . . 5 . HA . . . . . 6 . HN . . rr_1rws 1
336 . 1 1 24 24 GLU HA H . . . 1 1 25 25 ILE H H . . 0.150000 -0.45 0.75 . . . . . . A . 16 GLU HA . . A . 17 ILE H . . . 16 . HA . . . . . 17 . HN . . rr_1rws 1
337 . 1 1 22 22 GLU HA H . . . 1 1 23 23 LYS H H . . -0.272500 -0.8725 0.3275 . . . . . . A . 14 GLU HA . . A . 15 LYS H . . . 14 . HA . . . . . 15 . HN . . rr_1rws 1
338 . 1 1 32 32 LYS HA H . . . 1 1 33 33 VAL H H . . -0.095400 -0.3954 0.2046 . . . . . . A . 24 LYS HA . . A . 25 VAL H . . . 24 . HA . . . . . 25 . HN . . rr_1rws 1
339 . 1 1 54 54 LYS HA H . . . 1 1 55 55 VAL H H . . -0.317300 -0.6173 -0.0173 . . . . . . A . 46 LYS HA . . A . 47 VAL H . . . 46 . HA . . . . . 47 . HN . . rr_1rws 1
340 . 1 1 15 15 LYS HA H . . . 1 1 16 16 VAL H H . . -0.857500 -1.1575 -0.5575 . . . . . . A . 7 LYS HA . . A . 8 VAL H . . . 7 . HA . . . . . 8 . HN . . rr_1rws 1
341 . 1 1 25 25 ILE HA H . . . 1 1 26 26 GLU H H . . -0.198600 -0.7986 0.4014 . . . . . . A . 17 ILE HA . . A . 18 GLU H . . . 17 . HA . . . . . 18 . HN . . rr_1rws 1
342 . 1 1 14 14 VAL HA H . . . 1 1 15 15 LYS H H . . -0.215300 -0.5153 0.0847 . . . . . . A . 6 VAL HA . . A . 7 LYS H . . . 6 . HA . . . . . 7 . HN . . rr_1rws 1
343 . 1 1 21 21 ILE HA H . . . 1 1 22 22 GLU H H . . -0.852300 -1.1523 -0.5523 . . . . . . A . 13 ILE HA . . A . 14 GLU H . . . 13 . HA . . . . . 14 . HN . . rr_1rws 1
344 . 1 1 50 50 LYS HA H . . . 1 1 51 51 VAL H H . . -1.038900 -1.3389 -0.7389 . . . . . . A . 42 LYS HA . . A . 43 VAL H . . . 42 . HA . . . . . 43 . HN . . rr_1rws 1
345 . 1 1 12 12 ILE HA H . . . 1 1 13 13 LYS H H . . -0.225000 -0.525 0.075 . . . . . . A . 4 ILE HA . . A . 5 LYS H . . . 4 . HA . . . . . 5 . HN . . rr_1rws 1
346 . 1 1 73 73 VAL HA H . . . 1 1 74 74 VAL H H . . -0.498600 -0.7986 -0.1986 . . . . . . A . 65 VAL HA . . A . 66 VAL H . . . 65 . HA . . . . . 66 . HN . . rr_1rws 1
347 . 1 1 46 46 SER HA H . . . 1 1 47 47 ALA H H . . 0.332700 0.0327 0.6327 . . . . . . A . 38 SER HA . . A . 39 ALA H . . . 38 . HA . . . . . 39 . HN . . rr_1rws 1
348 . 1 1 55 55 VAL HA H . . . 1 1 56 56 VAL H H . . 0.766000 0.466 1.066 . . . . . . A . 47 VAL HA . . A . 48 VAL H . . . 47 . HA . . . . . 48 . HN . . rr_1rws 1
349 . 1 1 66 66 ASP HA H . . . 1 1 67 67 PHE H H . . -0.550100 -0.8501 -0.2501 . . . . . . A . 58 ASP HA . . A . 59 PHE H . . . 58 . HA . . . . . 59 . HN . . rr_1rws 1
350 . 1 1 23 23 LYS HA H . . . 1 1 24 24 GLU H H . . -0.251700 -0.5517 0.0483 . . . . . . A . 15 LYS HA . . A . 16 GLU H . . . 15 . HA . . . . . 16 . HN . . rr_1rws 1
351 . 1 1 56 56 VAL HA H . . . 1 1 57 57 LEU H H . . 0.382600 0.0826 0.6826 . . . . . . A . 48 VAL HA . . A . 49 LEU H . . . 48 . HA . . . . . 49 . HN . . rr_1rws 1
352 . 1 1 74 74 VAL HA H . . . 1 1 75 75 SER H H . . -0.246600 -0.5466 0.0534 . . . . . . A . 66 VAL HA . . A . 67 SER H . . . 66 . HA . . . . . 67 . HN . . rr_1rws 1
353 . 1 1 60 60 ASP HA H . . . 1 1 61 61 GLU H H . . -0.797100 -1.0971 -0.4971 . . . . . . A . 52 ASP HA . . A . 53 GLU H . . . 52 . HA . . . . . 53 . HN . . rr_1rws 1
354 . 1 1 10 10 LYS HA H . . . 1 1 11 11 MET H H . . -0.251200 -0.5512 0.0488 . . . . . . A . 2 LYS HA . . A . 3 MET H . . . 2 . HA . . . . . 3 . HN . . rr_1rws 1
355 . 1 1 44 44 THR HA H . . . 1 1 45 45 GLU H H . . -0.179300 -0.4793 0.1207 . . . . . . A . 36 THR HA . . A . 37 GLU H . . . 36 . HA . . . . . 37 . HN . . rr_1rws 1
356 . 1 1 49 49 ALA HA H . . . 1 1 50 50 LYS H H . . -0.093200 -0.3932 0.2068 . . . . . . A . 41 ALA HA . . A . 42 LYS H . . . 41 . HA . . . . . 42 . HN . . rr_1rws 1
357 . 1 1 47 47 ALA HA H . . . 1 1 48 48 ILE H H . . 0.105100 -0.1949 0.4051 . . . . . . A . 39 ALA HA . . A . 40 ILE H . . . 39 . HA . . . . . 40 . HN . . rr_1rws 1
358 . 1 1 36 36 ILE HA H . . . 1 1 37 37 LEU H H . . -0.442300 -0.7423 -0.1423 . . . . . . A . 28 ILE HA . . A . 29 LEU H . . . 28 . HA . . . . . 29 . HN . . rr_1rws 1
359 . 1 1 33 33 VAL HA H . . . 1 1 34 34 ARG H H . . 0.039400 -0.2606 0.3394 . . . . . . A . 25 VAL HA . . A . 26 ARG H . . . 25 . HA . . . . . 26 . HN . . rr_1rws 1
360 . 1 1 17 17 ILE HA H . . . 1 1 18 18 GLY H H . . 0.055200 -0.2448 0.3552 . . . . . . A . 9 ILE HA . . A . 10 GLY H . . . 9 . HA . . . . . 10 . HN . . rr_1rws 1
361 . 1 1 29 29 GLU HA H . . . 1 1 30 30 GLY H H . . -0.852700 -1.1527 -0.5527 . . . . . . A . 21 GLU HA . . A . 22 GLY H . . . 21 . HA . . . . . 22 . HN . . rr_1rws 1
362 . 1 1 57 57 LEU HA H . . . 1 1 58 58 GLU H H . . 0.621500 0.3215 0.9215 . . . . . . A . 49 LEU HA . . A . 50 GLU H . . . 49 . HA . . . . . 50 . HN . . rr_1rws 1
363 . 1 1 75 75 SER HA H . . . 1 1 76 76 GLY H H . . -0.338700 -0.6387 -0.0387 . . . . . . A . 67 SER HA . . A . 68 GLY H . . . 67 . HA . . . . . 68 . HN . . rr_1rws 1
364 . 1 1 43 43 ASN HA H . . . 1 1 44 44 THR H H . . 0.026100 -0.2739 0.3261 . . . . . . A . 35 ASN HA . . A . 36 THR H . . . 35 . HA . . . . . 36 . HN . . rr_1rws 1
365 . 1 1 42 42 PHE HA H . . . 1 1 43 43 ASN H H . . 0.204200 -0.0958 0.5042 . . . . . . A . 34 PHE HA . . A . 35 ASN H . . . 34 . HA . . . . . 35 . HN . . rr_1rws 1
366 . 1 1 64 64 ASP HA H . . . 1 1 65 65 GLY H H . . 0.286100 -0.0139 0.5861 . . . . . . A . 56 ASP HA . . A . 57 GLY H . . . 56 . HA . . . . . 57 . HN . . rr_1rws 1
367 . 1 1 58 58 GLU HA H . . . 1 1 59 59 ASP H H . . 0.034500 -0.2655 0.3345 . . . . . . A . 50 GLU HA . . A . 51 ASP H . . . 50 . HA . . . . . 51 . HN . . rr_1rws 1
368 . 1 1 61 61 GLU HA H . . . 1 1 62 62 VAL H H . . -0.155600 -0.4556 0.1444 . . . . . . A . 53 GLU HA . . A . 54 VAL H . . . 53 . HA . . . . . 54 . HN . . rr_1rws 1
369 . 1 1 27 27 TRP HA H . . . 1 1 28 28 ARG H H . . 0.014800 -0.2852 0.3148 . . . . . . A . 19 TRP HA . . A . 20 ARG H . . . 19 . HA . . . . . 20 . HN . . rr_1rws 1
370 . 1 1 35 35 ASP HA H . . . 1 1 36 36 ILE H H . . 0.077200 -0.2228 0.3772 . . . . . . A . 27 ASP HA . . A . 28 ILE H . . . 27 . HA . . . . . 28 . HN . . rr_1rws 1
371 . 1 1 38 38 ARG HA H . . . 1 1 39 39 ALA H H . . -0.176500 -0.4765 0.1235 . . . . . . A . 30 ARG HA . . A . 31 ALA H . . . 30 . HA . . . . . 31 . HN . . rr_1rws 1
372 . 1 1 28 28 ARG HA H . . . 1 1 29 29 GLU H H . . 0.346300 0.0463 0.6463 . . . . . . A . 20 ARG HA . . A . 21 GLU H . . . 20 . HA . . . . . 21 . HN . . rr_1rws 1
373 . 1 1 59 59 ASP HA H . . . 1 1 60 60 ASP H H . . 0.036200 -0.2638 0.3362 . . . . . . A . 51 ASP HA . . A . 52 ASP H . . . 51 . HA . . . . . 52 . HN . . rr_1rws 1
374 . 1 1 34 34 ARG HA H . . . 1 1 35 35 ASP H H . . 0.174900 -0.1251 0.4749 . . . . . . A . 26 ARG HA . . A . 27 ASP H . . . 26 . HA . . . . . 27 . HN . . rr_1rws 1
375 . 1 1 37 37 LEU HA H . . . 1 1 38 38 ARG H H . . 0.199600 -0.1004 0.4996 . . . . . . A . 29 LEU HA . . A . 30 ARG H . . . 29 . HA . . . . . 30 . HN . . rr_1rws 1
376 . 1 1 20 20 ASN HA H . . . 1 1 21 21 ILE H H . . 0.459000 0.159 0.759 . . . . . . A . 12 ASN HA . . A . 13 ILE H . . . 12 . HA . . . . . 13 . HN . . rr_1rws 1
377 . 1 1 39 39 ALA HA H . . . 1 1 40 40 VAL H H . . -0.370100 -0.6701 -0.0701 . . . . . . A . 31 ALA HA . . A . 32 VAL H . . . 31 . HA . . . . . 32 . HN . . rr_1rws 1
378 . 1 1 40 40 VAL HA H . . . 1 1 41 41 GLY H H . . -0.008300 -0.3083 0.2917 . . . . . . A . 32 VAL HA . . A . 33 GLY H . . . 32 . HA . . . . . 33 . HN . . rr_1rws 1
stop_
loop_
_RDC_constraint_conv_err.ID
_RDC_constraint_conv_err.RDC_constr_parse_file_ID
_RDC_constraint_conv_err.Parse_file_constraint_ID
_RDC_constraint_conv_err.Conv_error_type
_RDC_constraint_conv_err.Conv_error_note
_RDC_constraint_conv_err.Entry_ID
_RDC_constraint_conv_err.RDC_constraint_list_ID
1 7 108 1 "Not handling restraint 108, item 1, resonance(s) ' .0.HA' (nmrStar names) not linked" rr_1rws 1
2 7 305 1 "Not handling restraint 305, item 1, resonance(s) ' .0.HA' (nmrStar names) not linked" rr_1rws 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_1rws
_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 UNKNOWN FUNCTION 17-DEC-03 1RWS *TITLE BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN *TITLE 2 PF1061 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PF1061; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS DSM 3638; *SOURCE 3 GENE: PF1061; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21DE3STAR PRIL; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET24D BAM *KEYWDS NMR, RESIDUAL DIPOLAR COUPLINGS, STRUCTURAL GENOMICS *EXPDTA NMR *AUTHOR J.H.PRESTEGARD, K.L.MAYER, H.VALAFAR *REVDAT 1 23-DEC-03 1RWS 0"
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_framecode MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1rws
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "dihedral restraints"
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_framecode MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1rws
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "NOE restraints"
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_framecode MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1rws
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "residual dipolar coupling restraints"
save_
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