NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
|
|
371685 |
1cq0   |
cing | recoord | dress | 4-filtered-FRED | STAR | entry | full | 255 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1cq0
# This FRED archive file contains, for PDB entry <1cq0>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1cq0
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1cq0
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2893.33
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $PROTEIN__NEW_HYPOTHALAMIC_NEUROPEPTIDE_OREXIN_B28_ A . 1 1
stop_
save_
save_PROTEIN__NEW_HYPOTHALAMIC_NEUROPEPTIDE_OREXIN_B28_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PROTEIN NEW HYPOTHALAMIC NEUROPEPTIDE OREXIN B28 "
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code FSGPPGLQGRLQRLLQASGNHAAGILTM
_Entity.Number_of_monomers 28
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 PHE . 1 1
2 SER . 1 1
3 GLY . 1 1
4 PRO . 1 1
5 PRO . 1 1
6 GLY . 1 1
7 LEU . 1 1
8 GLN . 1 1
9 GLY . 1 1
10 ARG . 1 1
11 LEU . 1 1
12 GLN . 1 1
13 ARG . 1 1
14 LEU . 1 1
15 LEU . 1 1
16 GLN . 1 1
17 ALA . 1 1
18 SER . 1 1
19 GLY . 1 1
20 ASN . 1 1
21 HIS . 1 1
22 ALA . 1 1
23 ALA . 1 1
24 GLY . 1 1
25 ILE . 1 1
26 LEU . 1 1
27 THR . 1 1
28 MET . 1 1
stop_
loop_
_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
PHE 1 1 1 1
SER 2 2 1 1
GLY 3 3 1 1
PRO 4 4 1 1
PRO 5 5 1 1
GLY 6 6 1 1
LEU 7 7 1 1
GLN 8 8 1 1
GLY 9 9 1 1
ARG 10 10 1 1
LEU 11 11 1 1
GLN 12 12 1 1
ARG 13 13 1 1
LEU 14 14 1 1
LEU 15 15 1 1
GLN 16 16 1 1
ALA 17 17 1 1
SER 18 18 1 1
GLY 19 19 1 1
ASN 20 20 1 1
HIS 21 21 1 1
ALA 22 22 1 1
ALA 23 23 1 1
GLY 24 24 1 1
ILE 25 25 1 1
LEU 26 26 1 1
THR 27 27 1 1
MET 28 28 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
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 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
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20 1 . . . 1 1
21 1 . . . 1 1
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24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
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48 1 . . . 1 1
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50 1 . . . 1 1
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55 1 . . . 1 1
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226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 PHE H1 . 1 . HN 1 1
1 1 2 1 1 1 PHE HA . 1 . HA 1 1
2 1 1 1 1 1 PHE H1 . 1 . HN 1 1
2 1 2 1 1 1 PHE QB . 1 . HB* 1 1
3 1 1 1 1 2 SER H . 2 . HN 1 1
3 1 2 1 1 2 SER HA . 2 . HA 1 1
4 1 1 1 1 2 SER H . 2 . HN 1 1
4 1 2 1 1 2 SER QB . 2 . HB* 1 1
5 1 1 1 1 3 GLY H . 3 . HN 1 1
5 1 2 1 1 3 GLY QA . 3 . HA* 1 1
6 1 1 1 1 4 PRO HA . 4 . HA 1 1
6 1 2 1 1 4 PRO QG . 4 . HG* 1 1
7 1 1 1 1 4 PRO HA . 4 . HA 1 1
7 1 2 1 1 4 PRO QD . 4 . HD* 1 1
8 1 1 1 1 5 PRO HA . 5 . HA 1 1
8 1 2 1 1 5 PRO QG . 5 . HG* 1 1
9 1 1 1 1 5 PRO HA . 5 . HA 1 1
9 1 2 1 1 5 PRO QD . 5 . HD* 1 1
10 1 1 1 1 7 LEU H . 7 . HN 1 1
10 1 2 1 1 7 LEU HA . 7 . HA 1 1
11 1 1 1 1 7 LEU H . 7 . HN 1 1
11 1 2 1 1 7 LEU QB . 7 . HB* 1 1
12 1 1 1 1 7 LEU H . 7 . HN 1 1
12 1 2 1 1 7 LEU HG . 7 . HG 1 1
13 1 1 1 1 7 LEU H . 7 . HN 1 1
13 1 2 1 1 7 LEU QD . 7 . HD* 1 1
14 1 1 1 1 7 LEU HA . 7 . HA 1 1
14 1 2 1 1 7 LEU HG . 7 . HG 1 1
15 1 1 1 1 7 LEU HA . 7 . HA 1 1
15 1 2 1 1 7 LEU QD . 7 . HD* 1 1
16 1 1 1 1 7 LEU QB . 7 . HB* 1 1
16 1 2 1 1 7 LEU QD . 7 . HD* 1 1
17 1 1 1 1 8 GLN H . 8 . HN 1 1
17 1 2 1 1 8 GLN HA . 8 . HA 1 1
18 1 1 1 1 8 GLN H . 8 . HN 1 1
18 1 2 1 1 8 GLN QB . 8 . HB* 1 1
19 1 1 1 1 10 ARG H . 10 . HN 1 1
19 1 2 1 1 10 ARG HA . 10 . HA 1 1
20 1 1 1 1 10 ARG H . 10 . HN 1 1
20 1 2 1 1 10 ARG QB . 10 . HB* 1 1
21 1 1 1 1 10 ARG H . 10 . HN 1 1
21 1 2 1 1 10 ARG QG . 10 . HG* 1 1
22 1 1 1 1 10 ARG H . 10 . HN 1 1
22 1 2 1 1 10 ARG QD . 10 . HD* 1 1
23 1 1 1 1 10 ARG HA . 10 . HA 1 1
23 1 2 1 1 10 ARG QB . 10 . HB* 1 1
24 1 1 1 1 10 ARG HA . 10 . HA 1 1
24 1 2 1 1 10 ARG QG . 10 . HG* 1 1
25 1 1 1 1 10 ARG HA . 10 . HA 1 1
25 1 2 1 1 10 ARG QD . 10 . HD* 1 1
26 1 1 1 1 10 ARG QB . 10 . HB* 1 1
26 1 2 1 1 10 ARG QD . 10 . HD* 1 1
27 1 1 1 1 11 LEU H . 11 . HN 1 1
27 1 2 1 1 11 LEU HA . 11 . HA 1 1
28 1 1 1 1 11 LEU H . 11 . HN 1 1
28 1 2 1 1 11 LEU QB . 11 . HB* 1 1
29 1 1 1 1 11 LEU H . 11 . HN 1 1
29 1 2 1 1 11 LEU HG . 11 . HG 1 1
30 1 1 1 1 11 LEU H . 11 . HN 1 1
30 1 2 1 1 11 LEU QD . 11 . HD* 1 1
31 1 1 1 1 11 LEU HA . 11 . HA 1 1
31 1 2 1 1 11 LEU QB . 11 . HB* 1 1
32 1 1 1 1 11 LEU HA . 11 . HA 1 1
32 1 2 1 1 11 LEU HG . 11 . HG 1 1
33 1 1 1 1 11 LEU HA . 11 . HA 1 1
33 1 2 1 1 11 LEU QD . 11 . HD* 1 1
34 1 1 1 1 12 GLN H . 12 . HN 1 1
34 1 2 1 1 12 GLN HA . 12 . HA 1 1
35 1 1 1 1 12 GLN H . 12 . HN 1 1
35 1 2 1 1 12 GLN QB . 12 . HB* 1 1
36 1 1 1 1 13 ARG H . 13 . HN 1 1
36 1 2 1 1 13 ARG HA . 13 . HA 1 1
37 1 1 1 1 13 ARG H . 13 . HN 1 1
37 1 2 1 1 13 ARG QB . 13 . HB* 1 1
38 1 1 1 1 13 ARG H . 13 . HN 1 1
38 1 2 1 1 13 ARG QG . 13 . HG* 1 1
39 1 1 1 1 13 ARG H . 13 . HN 1 1
39 1 2 1 1 13 ARG QD . 13 . HD* 1 1
40 1 1 1 1 13 ARG HA . 13 . HA 1 1
40 1 2 1 1 13 ARG QB . 13 . HB* 1 1
41 1 1 1 1 13 ARG HA . 13 . HA 1 1
41 1 2 1 1 13 ARG QG . 13 . HG* 1 1
42 1 1 1 1 13 ARG HA . 13 . HA 1 1
42 1 2 1 1 13 ARG QD . 13 . HD* 1 1
43 1 1 1 1 13 ARG QB . 13 . HB* 1 1
43 1 2 1 1 13 ARG QD . 13 . HD* 1 1
44 1 1 1 1 14 LEU H . 14 . HN 1 1
44 1 2 1 1 14 LEU HA . 14 . HA 1 1
45 1 1 1 1 14 LEU H . 14 . HN 1 1
45 1 2 1 1 14 LEU QB . 14 . HB* 1 1
46 1 1 1 1 14 LEU H . 14 . HN 1 1
46 1 2 1 1 14 LEU HG . 14 . HG 1 1
47 1 1 1 1 14 LEU H . 14 . HN 1 1
47 1 2 1 1 14 LEU QD . 14 . HD* 1 1
48 1 1 1 1 14 LEU HA . 14 . HA 1 1
48 1 2 1 1 14 LEU QB . 14 . HB* 1 1
49 1 1 1 1 14 LEU HA . 14 . HA 1 1
49 1 2 1 1 14 LEU HG . 14 . HG 1 1
50 1 1 1 1 14 LEU HA . 14 . HA 1 1
50 1 2 1 1 14 LEU QD . 14 . HD* 1 1
51 1 1 1 1 15 LEU H . 15 . HN 1 1
51 1 2 1 1 15 LEU HA . 15 . HA 1 1
52 1 1 1 1 15 LEU H . 15 . HN 1 1
52 1 2 1 1 15 LEU QB . 15 . HB* 1 1
53 1 1 1 1 15 LEU H . 15 . HN 1 1
53 1 2 1 1 15 LEU HG . 15 . HG 1 1
54 1 1 1 1 15 LEU H . 15 . HN 1 1
54 1 2 1 1 15 LEU QD . 15 . HD* 1 1
55 1 1 1 1 15 LEU HA . 15 . HA 1 1
55 1 2 1 1 15 LEU QB . 15 . HB* 1 1
56 1 1 1 1 15 LEU HA . 15 . HA 1 1
56 1 2 1 1 15 LEU HG . 15 . HG 1 1
57 1 1 1 1 15 LEU HA . 15 . HA 1 1
57 1 2 1 1 15 LEU QD . 15 . HD* 1 1
58 1 1 1 1 16 GLN H . 16 . HN 1 1
58 1 2 1 1 16 GLN HA . 16 . HA 1 1
59 1 1 1 1 16 GLN H . 16 . HN 1 1
59 1 2 1 1 16 GLN QB . 16 . HB* 1 1
60 1 1 1 1 17 ALA H . 17 . HN 1 1
60 1 2 1 1 17 ALA HA . 17 . HA 1 1
61 1 1 1 1 17 ALA H . 17 . HN 1 1
61 1 2 1 1 17 ALA MB . 17 . HB* 1 1
62 1 1 1 1 18 SER H . 18 . HN 1 1
62 1 2 1 1 18 SER HA . 18 . HA 1 1
63 1 1 1 1 18 SER H . 18 . HN 1 1
63 1 2 1 1 18 SER QB . 18 . HB* 1 1
64 1 1 1 1 20 ASN H . 20 . HN 1 1
64 1 2 1 1 20 ASN HA . 20 . HA 1 1
65 1 1 1 1 20 ASN H . 20 . HN 1 1
65 1 2 1 1 20 ASN QB . 20 . HB* 1 1
66 1 1 1 1 21 HIS H . 21 . HN 1 1
66 1 2 1 1 21 HIS HA . 21 . HA 1 1
67 1 1 1 1 21 HIS H . 21 . HN 1 1
67 1 2 1 1 21 HIS QB . 21 . HB* 1 1
68 1 1 1 1 22 ALA H . 22 . HN 1 1
68 1 2 1 1 22 ALA HA . 22 . HA 1 1
69 1 1 1 1 22 ALA H . 22 . HN 1 1
69 1 2 1 1 22 ALA MB . 22 . HB* 1 1
70 1 1 1 1 23 ALA H . 23 . HN 1 1
70 1 2 1 1 23 ALA HA . 23 . HA 1 1
71 1 1 1 1 23 ALA H . 23 . HN 1 1
71 1 2 1 1 23 ALA MB . 23 . HB* 1 1
72 1 1 1 1 24 GLY H . 24 . HN 1 1
72 1 2 1 1 24 GLY QA . 24 . HA* 1 1
73 1 1 1 1 25 ILE H . 25 . HN 1 1
73 1 2 1 1 25 ILE HA . 25 . HA 1 1
74 1 1 1 1 25 ILE H . 25 . HN 1 1
74 1 2 1 1 25 ILE HB . 25 . HB 1 1
75 1 1 1 1 25 ILE H . 25 . HN 1 1
75 1 2 1 1 25 ILE QG . 25 . HG* 1 1
75 1 2 1 1 25 ILE MG . 25 . HG* 1 1
76 1 1 1 1 25 ILE H . 25 . HN 1 1
76 1 2 1 1 25 ILE MD . 25 . HD* 1 1
77 1 1 1 1 25 ILE HA . 25 . HA 1 1
77 1 2 1 1 25 ILE HB . 25 . HB 1 1
78 1 1 1 1 25 ILE HA . 25 . HA 1 1
78 1 2 1 1 25 ILE QG . 25 . HG* 1 1
78 1 2 1 1 25 ILE MG . 25 . HG* 1 1
79 1 1 1 1 25 ILE HA . 25 . HA 1 1
79 1 2 1 1 25 ILE MD . 25 . HD* 1 1
80 1 1 1 1 25 ILE HB . 25 . HB 1 1
80 1 2 1 1 25 ILE MD . 25 . HD* 1 1
81 1 1 1 1 26 LEU H . 26 . HN 1 1
81 1 2 1 1 26 LEU HA . 26 . HA 1 1
82 1 1 1 1 26 LEU H . 26 . HN 1 1
82 1 2 1 1 26 LEU QB . 26 . HB* 1 1
83 1 1 1 1 26 LEU H . 26 . HN 1 1
83 1 2 1 1 26 LEU HG . 26 . HG 1 1
84 1 1 1 1 26 LEU H . 26 . HN 1 1
84 1 2 1 1 26 LEU QD . 26 . HD* 1 1
85 1 1 1 1 26 LEU HA . 26 . HA 1 1
85 1 2 1 1 26 LEU QB . 26 . HB* 1 1
86 1 1 1 1 26 LEU HA . 26 . HA 1 1
86 1 2 1 1 26 LEU HG . 26 . HG 1 1
87 1 1 1 1 26 LEU HA . 26 . HA 1 1
87 1 2 1 1 26 LEU QD . 26 . HD* 1 1
88 1 1 1 1 27 THR HA . 27 . HA 1 1
88 1 2 1 1 27 THR HG1 . 27 . HG* 1 1
88 1 2 1 1 27 THR MG . 27 . HG* 1 1
89 1 1 1 1 28 MET HA . 28 . HA 1 1
89 1 2 1 1 28 MET QG . 28 . HG* 1 1
90 1 1 1 1 8 GLN H . 8 . HN 1 1
90 1 2 1 1 8 GLN QG . 8 . HG* 1 1
91 1 1 1 1 12 GLN H . 12 . HN 1 1
91 1 2 1 1 12 GLN QG . 12 . HG* 1 1
92 1 1 1 1 16 GLN H . 16 . HN 1 1
92 1 2 1 1 16 GLN QG . 16 . HG* 1 1
93 1 1 1 1 27 THR H . 27 . HN 1 1
93 1 2 1 1 27 THR HA . 27 . HA 1 1
94 1 1 1 1 28 MET H . 28 . HN 1 1
94 1 2 1 1 28 MET HA . 28 . HA 1 1
95 1 1 1 1 1 PHE HA . 1 . HA 1 1
95 1 2 1 1 2 SER H . 2 . HN 1 1
96 1 1 1 1 2 SER HA . 2 . HA 1 1
96 1 2 1 1 3 GLY H . 3 . HN 1 1
97 1 1 1 1 5 PRO HA . 5 . HA 1 1
97 1 2 1 1 6 GLY H . 6 . HN 1 1
98 1 1 1 1 6 GLY QA . 6 . HA* 1 1
98 1 2 1 1 7 LEU H . 7 . HN 1 1
99 1 1 1 1 7 LEU HA . 7 . HA 1 1
99 1 2 1 1 8 GLN H . 8 . HN 1 1
100 1 1 1 1 8 GLN HA . 8 . HA 1 1
100 1 2 1 1 9 GLY H . 9 . HN 1 1
101 1 1 1 1 9 GLY QA . 9 . HA* 1 1
101 1 2 1 1 10 ARG H . 10 . HN 1 1
102 1 1 1 1 10 ARG HA . 10 . HA 1 1
102 1 2 1 1 11 LEU H . 11 . HN 1 1
103 1 1 1 1 11 LEU HA . 11 . HA 1 1
103 1 2 1 1 12 GLN H . 12 . HN 1 1
104 1 1 1 1 12 GLN HA . 12 . HA 1 1
104 1 2 1 1 13 ARG H . 13 . HN 1 1
105 1 1 1 1 13 ARG HA . 13 . HA 1 1
105 1 2 1 1 14 LEU H . 14 . HN 1 1
106 1 1 1 1 14 LEU HA . 14 . HA 1 1
106 1 2 1 1 15 LEU H . 15 . HN 1 1
107 1 1 1 1 15 LEU HA . 15 . HA 1 1
107 1 2 1 1 16 GLN H . 16 . HN 1 1
108 1 1 1 1 16 GLN HA . 16 . HA 1 1
108 1 2 1 1 17 ALA H . 17 . HN 1 1
109 1 1 1 1 17 ALA HA . 17 . HA 1 1
109 1 2 1 1 18 SER H . 18 . HN 1 1
110 1 1 1 1 18 SER HA . 18 . HA 1 1
110 1 2 1 1 19 GLY H . 19 . HN 1 1
111 1 1 1 1 19 GLY QA . 19 . HA* 1 1
111 1 2 1 1 20 ASN H . 20 . HN 1 1
112 1 1 1 1 20 ASN HA . 20 . HA 1 1
112 1 2 1 1 21 HIS H . 21 . HN 1 1
113 1 1 1 1 21 HIS HA . 21 . HA 1 1
113 1 2 1 1 22 ALA H . 22 . HN 1 1
114 1 1 1 1 22 ALA HA . 22 . HA 1 1
114 1 2 1 1 23 ALA H . 23 . HN 1 1
115 1 1 1 1 23 ALA HA . 23 . HA 1 1
115 1 2 1 1 24 GLY H . 24 . HN 1 1
116 1 1 1 1 24 GLY QA . 24 . HA* 1 1
116 1 2 1 1 25 ILE H . 25 . HN 1 1
117 1 1 1 1 25 ILE HA . 25 . HA 1 1
117 1 2 1 1 26 LEU H . 26 . HN 1 1
118 1 1 1 1 26 LEU HA . 26 . HA 1 1
118 1 2 1 1 27 THR H . 27 . HN 1 1
119 1 1 1 1 27 THR HA . 27 . HA 1 1
119 1 2 1 1 28 MET H . 28 . HN 1 1
120 1 1 1 1 9 GLY QA . 9 . HA* 1 1
120 1 2 1 1 11 LEU H . 11 . HN 1 1
121 1 1 1 1 23 ALA HA . 23 . HA 1 1
121 1 2 1 1 25 ILE H . 25 . HN 1 1
122 1 1 1 1 7 LEU HA . 7 . HA 1 1
122 1 2 1 1 10 ARG H . 10 . HN 1 1
123 1 1 1 1 8 GLN HA . 8 . HA 1 1
123 1 2 1 1 11 LEU H . 11 . HN 1 1
124 1 1 1 1 9 GLY QA . 9 . HA* 1 1
124 1 2 1 1 12 GLN H . 12 . HN 1 1
125 1 1 1 1 10 ARG HA . 10 . HA 1 1
125 1 2 1 1 13 ARG H . 13 . HN 1 1
126 1 1 1 1 11 LEU HA . 11 . HA 1 1
126 1 2 1 1 14 LEU H . 14 . HN 1 1
127 1 1 1 1 12 GLN HA . 12 . HA 1 1
127 1 2 1 1 15 LEU H . 15 . HN 1 1
128 1 1 1 1 13 ARG HA . 13 . HA 1 1
128 1 2 1 1 16 GLN H . 16 . HN 1 1
129 1 1 1 1 14 LEU HA . 14 . HA 1 1
129 1 2 1 1 17 ALA H . 17 . HN 1 1
130 1 1 1 1 15 LEU HA . 15 . HA 1 1
130 1 2 1 1 18 SER H . 18 . HN 1 1
131 1 1 1 1 17 ALA HA . 17 . HA 1 1
131 1 2 1 1 20 ASN H . 20 . HN 1 1
132 1 1 1 1 22 ALA HA . 22 . HA 1 1
132 1 2 1 1 25 ILE H . 25 . HN 1 1
133 1 1 1 1 24 GLY QA . 24 . HA* 1 1
133 1 2 1 1 27 THR H . 27 . HN 1 1
134 1 1 1 1 5 PRO QB . 5 . HB* 1 1
134 1 2 1 1 6 GLY H . 6 . HN 1 1
135 1 1 1 1 7 LEU QB . 7 . HB* 1 1
135 1 2 1 1 8 GLN H . 8 . HN 1 1
136 1 1 1 1 8 GLN QB . 8 . HB* 1 1
136 1 2 1 1 9 GLY H . 9 . HN 1 1
137 1 1 1 1 10 ARG QB . 10 . HB* 1 1
137 1 2 1 1 11 LEU H . 11 . HN 1 1
138 1 1 1 1 11 LEU QB . 11 . HB* 1 1
138 1 2 1 1 12 GLN H . 12 . HN 1 1
139 1 1 1 1 12 GLN QB . 12 . HB* 1 1
139 1 2 1 1 13 ARG H . 13 . HN 1 1
140 1 1 1 1 13 ARG QB . 13 . HB* 1 1
140 1 2 1 1 14 LEU H . 14 . HN 1 1
141 1 1 1 1 14 LEU QB . 14 . HB* 1 1
141 1 2 1 1 15 LEU H . 15 . HN 1 1
142 1 1 1 1 15 LEU QB . 15 . HB* 1 1
142 1 2 1 1 16 GLN H . 16 . HN 1 1
143 1 1 1 1 16 GLN QB . 16 . HB* 1 1
143 1 2 1 1 17 ALA H . 17 . HN 1 1
144 1 1 1 1 17 ALA MB . 17 . HB* 1 1
144 1 2 1 1 18 SER H . 18 . HN 1 1
145 1 1 1 1 18 SER QB . 18 . HB* 1 1
145 1 2 1 1 19 GLY H . 19 . HN 1 1
146 1 1 1 1 20 ASN QB . 20 . HB* 1 1
146 1 2 1 1 21 HIS H . 21 . HN 1 1
147 1 1 1 1 21 HIS QB . 21 . HB* 1 1
147 1 2 1 1 22 ALA H . 22 . HN 1 1
148 1 1 1 1 22 ALA MB . 22 . HB* 1 1
148 1 2 1 1 23 ALA H . 23 . HN 1 1
149 1 1 1 1 25 ILE HB . 25 . HB* 1 1
149 1 2 1 1 26 LEU H . 26 . HN 1 1
150 1 1 1 1 26 LEU QB . 26 . HB* 1 1
150 1 2 1 1 27 THR H . 27 . HN 1 1
151 1 1 1 1 5 PRO QG . 5 . HG* 1 1
151 1 2 1 1 6 GLY H . 6 . HN 1 1
152 1 1 1 1 7 LEU HG . 7 . HG* 1 1
152 1 2 1 1 8 GLN H . 8 . HN 1 1
153 1 1 1 1 8 GLN QG . 8 . HG* 1 1
153 1 2 1 1 9 GLY H . 9 . HN 1 1
154 1 1 1 1 11 LEU HG . 11 . HG* 1 1
154 1 2 1 1 12 GLN H . 12 . HN 1 1
155 1 1 1 1 14 LEU HG . 14 . HG* 1 1
155 1 2 1 1 15 LEU H . 15 . HN 1 1
156 1 1 1 1 6 GLY H . 6 . HN 1 1
156 1 2 1 1 7 LEU H . 7 . HN 1 1
157 1 1 1 1 7 LEU H . 7 . HN 1 1
157 1 2 1 1 8 GLN H . 8 . HN 1 1
158 1 1 1 1 8 GLN H . 8 . HN 1 1
158 1 2 1 1 9 GLY H . 9 . HN 1 1
159 1 1 1 1 9 GLY H . 9 . HN 1 1
159 1 2 1 1 10 ARG H . 10 . HN 1 1
160 1 1 1 1 10 ARG H . 10 . HN 1 1
160 1 2 1 1 11 LEU H . 11 . HN 1 1
161 1 1 1 1 11 LEU H . 11 . HN 1 1
161 1 2 1 1 12 GLN H . 12 . HN 1 1
162 1 1 1 1 12 GLN H . 12 . HN 1 1
162 1 2 1 1 13 ARG H . 13 . HN 1 1
163 1 1 1 1 13 ARG H . 13 . HN 1 1
163 1 2 1 1 14 LEU H . 14 . HN 1 1
164 1 1 1 1 14 LEU H . 14 . HN 1 1
164 1 2 1 1 15 LEU H . 15 . HN 1 1
165 1 1 1 1 15 LEU H . 15 . HN 1 1
165 1 2 1 1 16 GLN H . 16 . HN 1 1
166 1 1 1 1 16 GLN H . 16 . HN 1 1
166 1 2 1 1 17 ALA H . 17 . HN 1 1
167 1 1 1 1 17 ALA H . 17 . HN 1 1
167 1 2 1 1 18 SER H . 18 . HN 1 1
168 1 1 1 1 18 SER H . 18 . HN 1 1
168 1 2 1 1 19 GLY H . 19 . HN 1 1
169 1 1 1 1 19 GLY H . 19 . HN 1 1
169 1 2 1 1 20 ASN H . 20 . HN 1 1
170 1 1 1 1 20 ASN H . 20 . HN 1 1
170 1 2 1 1 21 HIS H . 21 . HN 1 1
171 1 1 1 1 21 HIS H . 21 . HN 1 1
171 1 2 1 1 22 ALA H . 22 . HN 1 1
172 1 1 1 1 22 ALA H . 22 . HN 1 1
172 1 2 1 1 23 ALA H . 23 . HN 1 1
173 1 1 1 1 23 ALA H . 23 . HN 1 1
173 1 2 1 1 24 GLY H . 24 . HN 1 1
174 1 1 1 1 25 ILE H . 25 . HN 1 1
174 1 2 1 1 26 LEU H . 26 . HN 1 1
175 1 1 1 1 26 LEU H . 26 . HN 1 1
175 1 2 1 1 27 THR H . 27 . HN 1 1
176 1 1 1 1 27 THR H . 27 . HN 1 1
176 1 2 1 1 28 MET H . 28 . HN 1 1
177 1 1 1 1 6 GLY H . 6 . HN 1 1
177 1 2 1 1 8 GLN H . 8 . HN 1 1
178 1 1 1 1 7 LEU H . 7 . HN 1 1
178 1 2 1 1 9 GLY H . 9 . HN 1 1
179 1 1 1 1 8 GLN H . 8 . HN 1 1
179 1 2 1 1 10 ARG H . 10 . HN 1 1
180 1 1 1 1 9 GLY H . 9 . HN 1 1
180 1 2 1 1 11 LEU H . 11 . HN 1 1
181 1 1 1 1 10 ARG H . 10 . HN 1 1
181 1 2 1 1 12 GLN H . 12 . HN 1 1
182 1 1 1 1 11 LEU H . 11 . HN 1 1
182 1 2 1 1 13 ARG H . 13 . HN 1 1
183 1 1 1 1 12 GLN H . 12 . HN 1 1
183 1 2 1 1 14 LEU H . 14 . HN 1 1
184 1 1 1 1 13 ARG H . 13 . HN 1 1
184 1 2 1 1 15 LEU H . 15 . HN 1 1
185 1 1 1 1 14 LEU H . 14 . HN 1 1
185 1 2 1 1 16 GLN H . 16 . HN 1 1
186 1 1 1 1 15 LEU H . 15 . HN 1 1
186 1 2 1 1 17 ALA H . 17 . HN 1 1
187 1 1 1 1 16 GLN H . 16 . HN 1 1
187 1 2 1 1 18 SER H . 18 . HN 1 1
188 1 1 1 1 17 ALA H . 17 . HN 1 1
188 1 2 1 1 19 GLY H . 19 . HN 1 1
189 1 1 1 1 20 ASN H . 20 . HN 1 1
189 1 2 1 1 22 ALA H . 22 . HN 1 1
190 1 1 1 1 23 ALA H . 23 . HN 1 1
190 1 2 1 1 25 ILE H . 25 . HN 1 1
191 1 1 1 1 25 ILE H . 25 . HN 1 1
191 1 2 1 1 27 THR H . 27 . HN 1 1
192 1 1 1 1 26 LEU H . 26 . HN 1 1
192 1 2 1 1 28 MET H . 28 . HN 1 1
193 1 1 1 1 8 GLN H . 8 . HN 1 1
193 1 2 1 1 11 LEU H . 11 . HN 1 1
194 1 1 1 1 9 GLY H . 9 . HN 1 1
194 1 2 1 1 12 GLN H . 12 . HN 1 1
195 1 1 1 1 10 ARG H . 10 . HN 1 1
195 1 2 1 1 13 ARG H . 13 . HN 1 1
196 1 1 1 1 11 LEU H . 11 . HN 1 1
196 1 2 1 1 14 LEU H . 14 . HN 1 1
197 1 1 1 1 12 GLN H . 12 . HN 1 1
197 1 2 1 1 15 LEU H . 15 . HN 1 1
198 1 1 1 1 14 LEU H . 14 . HN 1 1
198 1 2 1 1 17 ALA H . 17 . HN 1 1
199 1 1 1 1 15 LEU H . 15 . HN 1 1
199 1 2 1 1 18 SER H . 18 . HN 1 1
200 1 1 1 1 16 GLN H . 16 . HN 1 1
200 1 2 1 1 19 GLY H . 19 . HN 1 1
201 1 1 1 1 17 ALA H . 17 . HN 1 1
201 1 2 1 1 20 ASN H . 20 . HN 1 1
202 1 1 1 1 19 GLY H . 19 . HN 1 1
202 1 2 1 1 22 ALA H . 22 . HN 1 1
203 1 1 1 1 20 ASN H . 20 . HN 1 1
203 1 2 1 1 23 ALA H . 23 . HN 1 1
204 1 1 1 1 22 ALA H . 22 . HN 1 1
204 1 2 1 1 25 ILE H . 25 . HN 1 1
205 1 1 1 1 24 GLY H . 24 . HN 1 1
205 1 2 1 1 27 THR H . 27 . HN 1 1
206 1 1 1 1 25 ILE H . 25 . HN 1 1
206 1 2 1 1 28 MET H . 28 . HN 1 1
207 1 1 1 1 8 GLN H . 8 . HN 1 1
207 1 2 1 1 12 GLN H . 12 . HN 1 1
208 1 1 1 1 11 LEU H . 11 . HN 1 1
208 1 2 1 1 15 LEU H . 15 . HN 1 1
209 1 1 1 1 12 GLN H . 12 . HN 1 1
209 1 2 1 1 16 GLN H . 16 . HN 1 1
210 1 1 1 1 17 ALA H . 17 . HN 1 1
210 1 2 1 1 21 HIS H . 21 . HN 1 1
211 1 1 1 1 20 ASN H . 20 . HN 1 1
211 1 2 1 1 24 GLY H . 24 . HN 1 1
212 1 1 1 1 7 LEU HA . 7 . HA 1 1
212 1 2 1 1 10 ARG QB . 10 . HB* 1 1
213 1 1 1 1 8 GLN HA . 8 . HA 1 1
213 1 2 1 1 11 LEU QB . 11 . HB* 1 1
214 1 1 1 1 9 GLY QA . 9 . HA* 1 1
214 1 2 1 1 12 GLN QB . 12 . HB* 1 1
215 1 1 1 1 10 ARG HA . 10 . HA 1 1
215 1 2 1 1 13 ARG QB . 13 . HB* 1 1
216 1 1 1 1 11 LEU HA . 11 . HA 1 1
216 1 2 1 1 14 LEU QB . 14 . HB* 1 1
217 1 1 1 1 12 GLN HA . 12 . HA 1 1
217 1 2 1 1 15 LEU QB . 15 . HB* 1 1
218 1 1 1 1 13 ARG HA . 13 . HA 1 1
218 1 2 1 1 16 GLN QB . 16 . HB* 1 1
219 1 1 1 1 14 LEU HA . 14 . HA 1 1
219 1 2 1 1 17 ALA MB . 17 . HB* 1 1
220 1 1 1 1 15 LEU HA . 15 . HA 1 1
220 1 2 1 1 18 SER QB . 18 . HB* 1 1
221 1 1 1 1 24 GLY QA . 24 . HA* 1 1
221 1 2 1 1 27 THR HB . 27 . HB* 1 1
222 1 1 1 1 25 ILE HA . 25 . HA 1 1
222 1 2 1 1 28 MET QB . 28 . HB* 1 1
223 1 1 1 1 3 GLY QA . 3 . HA* 1 1
223 1 2 1 1 4 PRO QD . 4 . HD* 1 1
224 1 1 1 1 4 PRO HA . 4 . HA 1 1
224 1 2 1 1 5 PRO QD . 5 . HD* 1 1
225 1 1 1 1 17 ALA HA . 17 . HA 1 1
225 1 2 1 1 25 ILE QG . 25 . HG* 1 1
225 1 2 1 1 25 ILE MG . 25 . HG* 1 1
226 1 1 1 1 17 ALA HA . 17 . HA 1 1
226 1 2 1 1 21 HIS QB . 21 . HB* 1 1
227 1 1 1 1 17 ALA MB . 17 . HB* 1 1
227 1 2 1 1 25 ILE QG . 25 . HG* 1 1
227 1 2 1 1 25 ILE MG . 25 . HG* 1 1
228 1 1 1 1 17 ALA MB . 17 . HB* 1 1
228 1 2 1 1 25 ILE MD . 25 . HD* 1 1
229 1 1 1 1 18 SER HA . 18 . HA 1 1
229 1 2 1 1 22 ALA MB . 22 . HB* 1 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.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 . . . . . 2.5 1.8 2.7 1 1
2 1 . . . . . 2.5 1.8 3.7 1 1
3 1 . . . . . 2.5 1.8 2.7 1 1
4 1 . . . . . 3.0 1.8 4.3 1 1
5 1 . . . . . 2.5 1.8 3.7 1 1
6 1 . . . . . 3.0 1.8 4.3 1 1
7 1 . . . . . 4.0 1.8 6.0 1 1
8 1 . . . . . 3.0 1.8 4.3 1 1
9 1 . . . . . 4.0 1.8 6.0 1 1
10 1 . . . . . 2.5 1.8 2.7 1 1
11 1 . . . . . 2.5 1.8 3.7 1 1
12 1 . . . . . 3.0 1.8 3.3 1 1
13 1 . . . . . 3.0 1.8 4.3 1 1
14 1 . . . . . 3.0 1.8 3.3 1 1
15 1 . . . . . 3.0 1.8 4.3 1 1
16 1 . . . . . 2.5 1.8 3.7 1 1
17 1 . . . . . 2.5 1.8 2.7 1 1
18 1 . . . . . 2.5 1.8 3.7 1 1
19 1 . . . . . 2.5 1.8 2.7 1 1
20 1 . . . . . 2.5 1.8 3.7 1 1
21 1 . . . . . 3.0 1.8 4.3 1 1
22 1 . . . . . 3.0 1.8 4.3 1 1
23 1 . . . . . 2.5 1.8 3.7 1 1
24 1 . . . . . 3.0 1.8 4.3 1 1
25 1 . . . . . 3.0 1.8 4.3 1 1
26 1 . . . . . 3.0 1.8 4.3 1 1
27 1 . . . . . 2.5 1.8 2.7 1 1
28 1 . . . . . 2.5 1.8 3.7 1 1
29 1 . . . . . 3.0 1.8 3.3 1 1
30 1 . . . . . 3.0 1.8 4.3 1 1
31 1 . . . . . 2.5 1.8 3.7 1 1
32 1 . . . . . 3.0 1.8 3.3 1 1
33 1 . . . . . 3.0 1.8 4.3 1 1
34 1 . . . . . . 1.8 2.7 1 1
35 1 . . . . . 3.0 1.8 3.7 1 1
36 1 . . . . . 2.5 1.8 2.7 1 1
37 1 . . . . . 2.5 1.8 2.7 1 1
38 1 . . . . . 3.0 1.8 4.3 1 1
39 1 . . . . . 3.0 1.8 4.3 1 1
40 1 . . . . . 2.5 1.8 3.7 1 1
41 1 . . . . . 3.0 1.8 4.3 1 1
42 1 . . . . . 3.0 1.8 4.3 1 1
43 1 . . . . . 3.0 1.8 4.3 1 1
44 1 . . . . . 2.5 1.8 2.7 1 1
45 1 . . . . . 2.5 1.8 3.7 1 1
46 1 . . . . . . 1.8 2.7 1 1
47 1 . . . . . 3.0 1.8 4.3 1 1
48 1 . . . . . 2.5 1.8 3.7 1 1
49 1 . . . . . 3.0 1.8 3.3 1 1
50 1 . . . . . 3.0 1.8 4.3 1 1
51 1 . . . . . 2.5 1.8 2.7 1 1
52 1 . . . . . 2.5 1.8 3.7 1 1
53 1 . . . . . 3.0 1.8 3.3 1 1
54 1 . . . . . 3.0 1.8 4.3 1 1
55 1 . . . . . 2.5 1.8 3.7 1 1
56 1 . . . . . 3.0 1.8 3.3 1 1
57 1 . . . . . 3.0 1.8 4.3 1 1
58 1 . . . . . 2.5 1.8 2.7 1 1
59 1 . . . . . 2.5 1.8 3.7 1 1
60 1 . . . . . 2.5 1.8 2.7 1 1
61 1 . . . . . 2.5 1.8 3.7 1 1
62 1 . . . . . 2.5 1.8 2.7 1 1
63 1 . . . . . 3.0 1.8 3.7 1 1
64 1 . . . . . 2.5 1.8 2.7 1 1
65 1 . . . . . 3.0 1.8 3.7 1 1
66 1 . . . . . 2.5 1.8 2.7 1 1
67 1 . . . . . 3.0 1.8 3.7 1 1
68 1 . . . . . 2.5 1.8 2.7 1 1
69 1 . . . . . 2.5 1.8 3.7 1 1
70 1 . . . . . 2.5 1.8 2.7 1 1
71 1 . . . . . 2.5 1.8 3.7 1 1
72 1 . . . . . 2.5 1.8 3.7 1 1
73 1 . . . . . 2.5 1.8 2.7 1 1
74 1 . . . . . 2.5 1.8 2.7 1 1
75 1 . . . . . 3.0 1.8 4.3 1 1
76 1 . . . . . 3.0 1.8 4.3 1 1
77 1 . . . . . 2.5 1.8 2.7 1 1
78 1 . . . . . 3.0 1.8 4.3 1 1
79 1 . . . . . 3.0 1.8 4.3 1 1
80 1 . . . . . 3.0 1.8 3.3 1 1
81 1 . . . . . 2.5 1.8 2.7 1 1
82 1 . . . . . 2.5 1.8 3.7 1 1
83 1 . . . . . 3.0 1.8 3.3 1 1
84 1 . . . . . 3.0 1.8 4.3 1 1
85 1 . . . . . 2.5 1.8 3.7 1 1
86 1 . . . . . 3.0 1.8 3.3 1 1
87 1 . . . . . 3.0 1.8 4.3 1 1
88 1 . . . . . 2.5 1.8 3.7 1 1
89 1 . . . . . 3.0 1.8 4.3 1 1
90 1 . . . . . 3.0 1.8 4.3 1 1
91 1 . . . . . 3.0 1.8 4.3 1 1
92 1 . . . . . 4.0 1.8 6.0 1 1
93 1 . . . . . 3.0 1.8 3.3 1 1
94 1 . . . . . 3.0 1.8 3.3 1 1
95 1 . . . . . 4.0 1.8 5.0 1 1
96 1 . . . . . 2.5 1.8 2.7 1 1
97 1 . . . . . 2.5 1.8 2.7 1 1
98 1 . . . . . 2.5 1.8 3.7 1 1
99 1 . . . . . 3.0 1.8 3.3 1 1
100 1 . . . . . 3.0 1.8 3.3 1 1
101 1 . . . . . 2.5 1.8 3.7 1 1
102 1 . . . . . 3.0 1.8 3.3 1 1
103 1 . . . . . 3.0 1.8 3.3 1 1
104 1 . . . . . 3.0 1.8 3.3 1 1
105 1 . . . . . 3.0 1.8 3.3 1 1
106 1 . . . . . 3.0 1.8 3.3 1 1
107 1 . . . . . 3.0 1.8 3.3 1 1
108 1 . . . . . 3.0 1.8 3.3 1 1
109 1 . . . . . 4.0 1.8 5.0 1 1
110 1 . . . . . 2.5 1.8 2.7 1 1
111 1 . . . . . 2.5 1.8 3.7 1 1
112 1 . . . . . 3.0 1.8 3.3 1 1
113 1 . . . . . 2.5 1.8 2.7 1 1
114 1 . . . . . 3.0 1.8 3.3 1 1
115 1 . . . . . 4.0 1.8 5.0 1 1
116 1 . . . . . 4.0 1.8 6.0 1 1
117 1 . . . . . 3.0 1.8 3.3 1 1
118 1 . . . . . 3.0 1.8 3.3 1 1
119 1 . . . . . 3.0 1.8 3.3 1 1
120 1 . . . . . 4.0 1.8 6.0 1 1
121 1 . . . . . 3.0 1.8 3.3 1 1
122 1 . . . . . 4.0 1.8 5.0 1 1
123 1 . . . . . 4.0 1.8 5.0 1 1
124 1 . . . . . 4.0 1.8 6.0 1 1
125 1 . . . . . 4.0 1.8 5.0 1 1
126 1 . . . . . 4.0 1.8 5.0 1 1
127 1 . . . . . 4.0 1.8 5.0 1 1
128 1 . . . . . 4.0 1.8 5.0 1 1
129 1 . . . . . 4.0 1.8 5.0 1 1
130 1 . . . . . 4.0 1.8 5.0 1 1
131 1 . . . . . 4.0 1.8 5.0 1 1
132 1 . . . . . 3.0 1.8 3.3 1 1
133 1 . . . . . 4.0 1.8 6.0 1 1
134 1 . . . . . 3.0 1.8 4.3 1 1
135 1 . . . . . 3.0 1.8 4.3 1 1
136 1 . . . . . 2.5 1.8 3.7 1 1
137 1 . . . . . 2.5 1.8 3.7 1 1
138 1 . . . . . 3.0 1.8 4.3 1 1
139 1 . . . . . 2.5 1.8 3.7 1 1
140 1 . . . . . 3.0 1.8 4.3 1 1
141 1 . . . . . 4.0 1.8 6.0 1 1
142 1 . . . . . 2.5 1.8 3.7 1 1
143 1 . . . . . 3.0 1.8 4.3 1 1
144 1 . . . . . 2.5 1.8 3.7 1 1
145 1 . . . . . 4.0 1.8 6.0 1 1
146 1 . . . . . 4.0 1.8 6.0 1 1
147 1 . . . . . 3.0 1.8 4.3 1 1
148 1 . . . . . 4.0 1.8 6.0 1 1
149 1 . . . . . 4.0 1.8 6.0 1 1
150 1 . . . . . 4.0 1.8 6.0 1 1
151 1 . . . . . 3.0 1.8 4.3 1 1
152 1 . . . . . 3.0 1.8 4.3 1 1
153 1 . . . . . 4.0 1.8 6.0 1 1
154 1 . . . . . 3.0 1.8 4.3 1 1
155 1 . . . . . 3.0 1.8 4.3 1 1
156 1 . . . . . 2.5 1.8 2.7 1 1
157 1 . . . . . 3.0 1.8 3.3 1 1
158 1 . . . . . 2.5 1.8 2.7 1 1
159 1 . . . . . 2.5 1.8 2.7 1 1
160 1 . . . . . 2.5 1.8 2.7 1 1
161 1 . . . . . 3.0 1.8 3.3 1 1
162 1 . . . . . 2.5 1.8 2.7 1 1
163 1 . . . . . 2.5 1.8 2.7 1 1
164 1 . . . . . 3.0 1.8 3.3 1 1
165 1 . . . . . 2.5 1.8 2.7 1 1
166 1 . . . . . 3.0 1.8 3.3 1 1
167 1 . . . . . 4.0 1.8 5.0 1 1
168 1 . . . . . 2.5 1.8 2.7 1 1
169 1 . . . . . 3.0 1.8 3.3 1 1
170 1 . . . . . 2.5 1.8 2.7 1 1
171 1 . . . . . 2.5 1.8 2.7 1 1
172 1 . . . . . 2.5 1.8 2.7 1 1
173 1 . . . . . 3.0 1.8 3.3 1 1
174 1 . . . . . 2.5 1.8 2.7 1 1
175 1 . . . . . 3.0 1.8 3.3 1 1
176 1 . . . . . 4.0 1.8 5.0 1 1
177 1 . . . . . 4.0 1.8 5.0 1 1
178 1 . . . . . 4.0 1.8 5.0 1 1
179 1 . . . . . 4.0 1.8 5.0 1 1
180 1 . . . . . 4.0 1.8 5.0 1 1
181 1 . . . . . 4.0 1.8 5.0 1 1
182 1 . . . . . 4.0 1.8 5.0 1 1
183 1 . . . . . 4.0 1.8 5.0 1 1
184 1 . . . . . 4.0 1.8 5.0 1 1
185 1 . . . . . 4.0 1.8 5.0 1 1
186 1 . . . . . 4.0 1.8 5.0 1 1
187 1 . . . . . 4.0 1.8 5.0 1 1
188 1 . . . . . 4.0 1.8 5.0 1 1
189 1 . . . . . 4.0 1.8 5.0 1 1
190 1 . . . . . 3.0 1.8 3.3 1 1
191 1 . . . . . 4.0 1.8 5.0 1 1
192 1 . . . . . 4.0 1.8 5.0 1 1
193 1 . . . . . 4.0 1.8 5.0 1 1
194 1 . . . . . 4.0 1.8 5.0 1 1
195 1 . . . . . 4.0 1.8 5.0 1 1
196 1 . . . . . 4.0 1.8 5.0 1 1
197 1 . . . . . 4.0 1.8 5.0 1 1
198 1 . . . . . 4.0 1.8 5.0 1 1
199 1 . . . . . 4.0 1.8 5.0 1 1
200 1 . . . . . 4.0 1.8 5.0 1 1
201 1 . . . . . 4.0 1.8 5.0 1 1
202 1 . . . . . 4.0 1.8 5.0 1 1
203 1 . . . . . 4.0 1.8 5.0 1 1
204 1 . . . . . 4.0 1.8 5.0 1 1
205 1 . . . . . 4.0 1.8 5.0 1 1
206 1 . . . . . 4.0 1.8 5.0 1 1
207 1 . . . . . 4.0 1.8 5.0 1 1
208 1 . . . . . 4.0 1.8 5.0 1 1
209 1 . . . . . 4.0 1.8 5.0 1 1
210 1 . . . . . 4.0 1.8 5.0 1 1
211 1 . . . . . 4.0 1.8 5.0 1 1
212 1 . . . . . 4.0 1.8 6.0 1 1
213 1 . . . . . 4.0 1.8 6.0 1 1
214 1 . . . . . 4.0 1.8 6.0 1 1
215 1 . . . . . 4.0 1.8 6.0 1 1
216 1 . . . . . 4.0 1.8 6.0 1 1
217 1 . . . . . 4.0 1.8 6.0 1 1
218 1 . . . . . 4.0 1.8 6.0 1 1
219 1 . . . . . 4.0 1.8 6.0 1 1
220 1 . . . . . 4.0 1.8 6.0 1 1
221 1 . . . . . 4.0 1.8 6.0 1 1
222 1 . . . . . 4.0 1.8 6.0 1 1
223 1 . . . . . 4.0 1.8 6.0 1 1
224 1 . . . . . 4.0 1.8 6.0 1 1
225 1 . . . . . 4.0 1.8 6.0 1 1
226 1 . . . . . 4.0 1.8 6.0 1 1
227 1 . . . . . 4.0 1.8 6.0 1 1
228 1 . . . . . 4.0 1.8 6.0 1 1
229 1 . . . . . 4.0 1.8 6.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
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 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_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 6 GLY O . 6 . O 1 2
1 1 2 1 1 10 ARG N . 10 . N 1 2
2 1 1 1 1 7 LEU O . 7 . O 1 2
2 1 2 1 1 11 LEU N . 11 . N 1 2
3 1 1 1 1 8 GLN O . 8 . O 1 2
3 1 2 1 1 12 GLN N . 12 . N 1 2
4 1 1 1 1 9 GLY O . 9 . O 1 2
4 1 2 1 1 13 ARG N . 13 . N 1 2
5 1 1 1 1 10 ARG O . 10 . O 1 2
5 1 2 1 1 14 LEU N . 14 . N 1 2
6 1 1 1 1 11 LEU O . 11 . O 1 2
6 1 2 1 1 15 LEU N . 15 . N 1 2
7 1 1 1 1 12 GLN O . 12 . O 1 2
7 1 2 1 1 16 GLN N . 16 . N 1 2
8 1 1 1 1 13 ARG O . 13 . O 1 2
8 1 2 1 1 17 ALA N . 17 . N 1 2
9 1 1 1 1 14 LEU O . 14 . O 1 2
9 1 2 1 1 18 SER N . 18 . N 1 2
10 1 1 1 1 15 LEU O . 15 . O 1 2
10 1 2 1 1 19 GLY N . 19 . N 1 2
11 1 1 1 1 16 GLN O . 16 . O 1 2
11 1 2 1 1 20 ASN N . 20 . N 1 2
12 1 1 1 1 6 GLY O . 6 . O 1 2
12 1 2 1 1 10 ARG H . 10 . HN 1 2
13 1 1 1 1 7 LEU O . 7 . O 1 2
13 1 2 1 1 11 LEU H . 11 . HN 1 2
14 1 1 1 1 8 GLN O . 8 . O 1 2
14 1 2 1 1 12 GLN H . 12 . HN 1 2
15 1 1 1 1 9 GLY O . 9 . O 1 2
15 1 2 1 1 13 ARG H . 13 . HN 1 2
16 1 1 1 1 10 ARG O . 10 . O 1 2
16 1 2 1 1 14 LEU H . 14 . HN 1 2
17 1 1 1 1 11 LEU O . 11 . O 1 2
17 1 2 1 1 15 LEU H . 15 . HN 1 2
18 1 1 1 1 12 GLN O . 12 . O 1 2
18 1 2 1 1 16 GLN H . 16 . HN 1 2
19 1 1 1 1 13 ARG O . 13 . O 1 2
19 1 2 1 1 17 ALA H . 17 . HN 1 2
20 1 1 1 1 14 LEU O . 14 . O 1 2
20 1 2 1 1 18 SER H . 18 . HN 1 2
21 1 1 1 1 15 LEU O . 15 . O 1 2
21 1 2 1 1 19 GLY H . 19 . HN 1 2
22 1 1 1 1 16 GLN O . 16 . O 1 2
22 1 2 1 1 20 ASN H . 20 . HN 1 2
23 1 1 1 1 21 HIS O . 21 . O 1 2
23 1 2 1 1 25 ILE H . 25 . HN 1 2
24 1 1 1 1 22 ALA O . 22 . O 1 2
24 1 2 1 1 26 LEU H . 26 . HN 1 2
25 1 1 1 1 23 ALA O . 23 . O 1 2
25 1 2 1 1 27 THR H . 27 . HN 1 2
26 1 1 1 1 24 GLY O . 24 . O 1 2
26 1 2 1 1 28 MET H . 28 . HN 1 2
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.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 . . . . . 3.3 2.5 3.5 1 2
2 1 . . . . . 3.3 2.5 3.5 1 2
3 1 . . . . . 3.3 2.5 3.5 1 2
4 1 . . . . . 3.3 2.5 3.5 1 2
5 1 . . . . . 3.3 2.5 3.5 1 2
6 1 . . . . . 3.3 2.5 3.5 1 2
7 1 . . . . . 3.3 2.5 3.5 1 2
8 1 . . . . . 3.3 2.5 3.5 1 2
9 1 . . . . . 3.3 2.5 3.5 1 2
10 1 . . . . . 3.3 2.5 3.5 1 2
11 1 . . . . . 3.3 2.5 3.5 1 2
12 1 . . . . . 2.3 1.5 2.5 1 2
13 1 . . . . . 2.3 1.5 2.5 1 2
14 1 . . . . . 2.3 1.5 2.5 1 2
15 1 . . . . . 2.3 1.5 2.5 1 2
16 1 . . . . . 2.3 1.5 2.5 1 2
17 1 . . . . . 2.3 1.5 2.5 1 2
18 1 . . . . . 2.3 1.5 2.5 1 2
19 1 . . . . . 2.3 1.5 2.5 1 2
20 1 . . . . . 2.3 1.5 2.5 1 2
21 1 . . . . . 2.3 1.5 2.5 1 2
22 1 . . . . . 2.3 1.5 2.5 1 2
23 1 . . . . . . 2.5 2.5 1 2
24 1 . . . . . . 2.5 2.5 1 2
25 1 . . . . . . 2.5 2.5 1 2
26 1 . . . . . . 2.5 2.5 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.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.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_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.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 PHE C C 14.345 -1.866 8.638 1.00 . A A . 1 PHE C 1 1
1 2 1 1 1 PHE CA C 14.136 -0.728 9.641 1.00 . A A . 1 PHE CA 1 1
1 3 1 1 1 PHE CB C 12.798 -0.887 10.364 1.00 . A A . 1 PHE CB 1 1
1 4 1 1 1 PHE CD1 C 13.436 1.077 11.808 1.00 . A A . 1 PHE CD1 1 1
1 5 1 1 1 PHE CD2 C 11.153 0.911 11.007 1.00 . A A . 1 PHE CD2 1 1
1 6 1 1 1 PHE CE1 C 13.117 2.269 12.470 1.00 . A A . 1 PHE CE1 1 1
1 7 1 1 1 PHE CE2 C 10.835 2.103 11.668 1.00 . A A . 1 PHE CE2 1 1
1 8 1 1 1 PHE CG C 12.454 0.398 11.077 1.00 . A A . 1 PHE CG 1 1
1 9 1 1 1 PHE CZ C 11.816 2.782 12.400 1.00 . A A . 1 PHE CZ 1 1
1 10 1 1 1 PHE H1 H 14.375 1.340 9.544 1.00 . A A . 1 PHE H1 1 1
1 11 1 1 1 PHE H2 H 13.043 0.754 8.667 1.00 . A A . 1 PHE H2 1 1
1 12 1 1 1 PHE H3 H 14.618 0.547 8.065 1.00 . A A . 1 PHE H3 1 1
1 13 1 1 1 PHE HA H 14.942 -0.703 10.357 1.00 . A A . 1 PHE HA 1 1
1 14 1 1 1 PHE HB2 H 12.026 -1.118 9.644 1.00 . A A . 1 PHE HB2 1 1
1 15 1 1 1 PHE HB3 H 12.871 -1.689 11.083 1.00 . A A . 1 PHE HB3 1 1
1 16 1 1 1 PHE HD1 H 14.439 0.681 11.862 1.00 . A A . 1 PHE HD1 1 1
1 17 1 1 1 PHE HD2 H 10.396 0.387 10.443 1.00 . A A . 1 PHE HD2 1 1
1 18 1 1 1 PHE HE1 H 13.874 2.793 13.034 1.00 . A A . 1 PHE HE1 1 1
1 19 1 1 1 PHE HE2 H 9.831 2.499 11.614 1.00 . A A . 1 PHE HE2 1 1
1 20 1 1 1 PHE HZ H 11.570 3.702 12.910 1.00 . A A . 1 PHE HZ 1 1
1 21 1 1 1 PHE N N 14.035 0.577 8.925 1.00 . A A . 1 PHE N 1 1
1 22 1 1 1 PHE O O 15.087 -2.795 8.886 1.00 . A A . 1 PHE O 1 1
1 23 1 1 2 SER C C 14.875 -2.456 5.430 1.00 . A A . 2 SER C 1 1
1 24 1 1 2 SER CA C 13.857 -2.879 6.492 1.00 . A A . 2 SER CA 1 1
1 25 1 1 2 SER CB C 12.471 -3.046 5.869 1.00 . A A . 2 SER CB 1 1
1 26 1 1 2 SER H H 13.101 -1.042 7.328 1.00 . A A . 2 SER H 1 1
1 27 1 1 2 SER HA H 14.163 -3.799 6.963 1.00 . A A . 2 SER HA 1 1
1 28 1 1 2 SER HB2 H 12.281 -4.090 5.684 1.00 . A A . 2 SER HB2 1 1
1 29 1 1 2 SER HB3 H 11.723 -2.661 6.550 1.00 . A A . 2 SER HB3 1 1
1 30 1 1 2 SER HG H 12.311 -1.404 4.838 1.00 . A A . 2 SER HG 1 1
1 31 1 1 2 SER N N 13.695 -1.800 7.509 1.00 . A A . 2 SER N 1 1
1 32 1 1 2 SER O O 15.504 -1.422 5.536 1.00 . A A . 2 SER O 1 1
1 33 1 1 2 SER OG O 12.420 -2.336 4.639 1.00 . A A . 2 SER OG 1 1
1 34 1 1 3 GLY C C 15.318 -2.063 2.260 1.00 . A A . 3 GLY C 1 1
1 35 1 1 3 GLY CA C 16.019 -2.890 3.339 1.00 . A A . 3 GLY CA 1 1
1 36 1 1 3 GLY H H 14.525 -4.077 4.338 1.00 . A A . 3 GLY H 1 1
1 37 1 1 3 GLY HA2 H 16.826 -2.313 3.769 1.00 . A A . 3 GLY HA2 1 1
1 38 1 1 3 GLY HA3 H 16.416 -3.791 2.896 1.00 . A A . 3 GLY HA3 1 1
1 39 1 1 3 GLY N N 15.042 -3.247 4.406 1.00 . A A . 3 GLY N 1 1
1 40 1 1 3 GLY O O 15.322 -0.849 2.307 1.00 . A A . 3 GLY O 1 1
1 41 1 1 4 PRO C C 12.697 -1.490 0.710 1.00 . A A . 4 PRO C 1 1
1 42 1 1 4 PRO CA C 14.019 -2.082 0.209 1.00 . A A . 4 PRO CA 1 1
1 43 1 1 4 PRO CB C 13.766 -3.209 -0.788 1.00 . A A . 4 PRO CB 1 1
1 44 1 1 4 PRO CD C 14.693 -4.217 1.202 1.00 . A A . 4 PRO CD 1 1
1 45 1 1 4 PRO CG C 13.777 -4.461 0.030 1.00 . A A . 4 PRO CG 1 1
1 46 1 1 4 PRO HA H 14.636 -1.322 -0.240 1.00 . A A . 4 PRO HA 1 1
1 47 1 1 4 PRO HB2 H 12.805 -3.078 -1.266 1.00 . A A . 4 PRO HB2 1 1
1 48 1 1 4 PRO HB3 H 14.553 -3.243 -1.525 1.00 . A A . 4 PRO HB3 1 1
1 49 1 1 4 PRO HD2 H 14.284 -4.661 2.099 1.00 . A A . 4 PRO HD2 1 1
1 50 1 1 4 PRO HD3 H 15.680 -4.603 1.000 1.00 . A A . 4 PRO HD3 1 1
1 51 1 1 4 PRO HG2 H 12.778 -4.681 0.379 1.00 . A A . 4 PRO HG2 1 1
1 52 1 1 4 PRO HG3 H 14.153 -5.284 -0.559 1.00 . A A . 4 PRO HG3 1 1
1 53 1 1 4 PRO N N 14.737 -2.755 1.319 1.00 . A A . 4 PRO N 1 1
1 54 1 1 4 PRO O O 11.790 -2.213 1.070 1.00 . A A . 4 PRO O 1 1
1 55 1 1 5 PRO C C 10.435 0.724 0.026 1.00 . A A . 5 PRO C 1 1
1 56 1 1 5 PRO CA C 11.422 0.529 1.173 1.00 . A A . 5 PRO CA 1 1
1 57 1 1 5 PRO CB C 11.962 1.873 1.632 1.00 . A A . 5 PRO CB 1 1
1 58 1 1 5 PRO CD C 13.687 0.746 0.313 1.00 . A A . 5 PRO CD 1 1
1 59 1 1 5 PRO CG C 13.225 2.083 0.844 1.00 . A A . 5 PRO CG 1 1
1 60 1 1 5 PRO HA H 10.961 0.006 1.980 1.00 . A A . 5 PRO HA 1 1
1 61 1 1 5 PRO HB2 H 11.247 2.656 1.417 1.00 . A A . 5 PRO HB2 1 1
1 62 1 1 5 PRO HB3 H 12.187 1.848 2.687 1.00 . A A . 5 PRO HB3 1 1
1 63 1 1 5 PRO HD2 H 13.775 0.779 -0.765 1.00 . A A . 5 PRO HD2 1 1
1 64 1 1 5 PRO HD3 H 14.626 0.464 0.763 1.00 . A A . 5 PRO HD3 1 1
1 65 1 1 5 PRO HG2 H 13.027 2.751 0.018 1.00 . A A . 5 PRO HG2 1 1
1 66 1 1 5 PRO HG3 H 13.986 2.500 1.479 1.00 . A A . 5 PRO HG3 1 1
1 67 1 1 5 PRO N N 12.636 -0.183 0.715 1.00 . A A . 5 PRO N 1 1
1 68 1 1 5 PRO O O 9.603 1.609 0.042 1.00 . A A . 5 PRO O 1 1
1 69 1 1 6 GLY C C 8.838 -1.303 -2.292 1.00 . A A . 6 GLY C 1 1
1 70 1 1 6 GLY CA C 9.609 0.008 -2.127 1.00 . A A . 6 GLY CA 1 1
1 71 1 1 6 GLY H H 11.208 -0.791 -0.928 1.00 . A A . 6 GLY H 1 1
1 72 1 1 6 GLY HA2 H 8.913 0.819 -1.964 1.00 . A A . 6 GLY HA2 1 1
1 73 1 1 6 GLY HA3 H 10.182 0.199 -3.021 1.00 . A A . 6 GLY HA3 1 1
1 74 1 1 6 GLY N N 10.529 -0.099 -0.959 1.00 . A A . 6 GLY N 1 1
1 75 1 1 6 GLY O O 7.684 -1.312 -2.674 1.00 . A A . 6 GLY O 1 1
1 76 1 1 7 LEU C C 7.606 -3.806 -1.157 1.00 . A A . 7 LEU C 1 1
1 77 1 1 7 LEU CA C 8.768 -3.720 -2.144 1.00 . A A . 7 LEU CA 1 1
1 78 1 1 7 LEU CB C 9.832 -4.772 -1.824 1.00 . A A . 7 LEU CB 1 1
1 79 1 1 7 LEU CD1 C 11.578 -4.628 -3.605 1.00 . A A . 7 LEU CD1 1 1
1 80 1 1 7 LEU CD2 C 10.716 -6.857 -2.877 1.00 . A A . 7 LEU CD2 1 1
1 81 1 1 7 LEU CG C 10.343 -5.393 -3.124 1.00 . A A . 7 LEU CG 1 1
1 82 1 1 7 LEU H H 10.395 -2.382 -1.697 1.00 . A A . 7 LEU H 1 1
1 83 1 1 7 LEU HA H 8.413 -3.855 -3.145 1.00 . A A . 7 LEU HA 1 1
1 84 1 1 7 LEU HB2 H 10.653 -4.305 -1.299 1.00 . A A . 7 LEU HB2 1 1
1 85 1 1 7 LEU HB3 H 9.401 -5.543 -1.204 1.00 . A A . 7 LEU HB3 1 1
1 86 1 1 7 LEU HD11 H 11.508 -3.597 -3.291 1.00 . A A . 7 LEU HD11 1 1
1 87 1 1 7 LEU HD12 H 11.632 -4.673 -4.683 1.00 . A A . 7 LEU HD12 1 1
1 88 1 1 7 LEU HD13 H 12.465 -5.074 -3.182 1.00 . A A . 7 LEU HD13 1 1
1 89 1 1 7 LEU HD21 H 10.761 -7.042 -1.814 1.00 . A A . 7 LEU HD21 1 1
1 90 1 1 7 LEU HD22 H 11.680 -7.062 -3.319 1.00 . A A . 7 LEU HD22 1 1
1 91 1 1 7 LEU HD23 H 9.971 -7.498 -3.323 1.00 . A A . 7 LEU HD23 1 1
1 92 1 1 7 LEU HG H 9.571 -5.338 -3.877 1.00 . A A . 7 LEU HG 1 1
1 93 1 1 7 LEU N N 9.465 -2.411 -2.005 1.00 . A A . 7 LEU N 1 1
1 94 1 1 7 LEU O O 6.482 -3.462 -1.467 1.00 . A A . 7 LEU O 1 1
1 95 1 1 8 GLN C C 6.015 -3.063 1.107 1.00 . A A . 8 GLN C 1 1
1 96 1 1 8 GLN CA C 6.793 -4.371 1.045 1.00 . A A . 8 GLN CA 1 1
1 97 1 1 8 GLN CB C 7.511 -4.640 2.368 1.00 . A A . 8 GLN CB 1 1
1 98 1 1 8 GLN CD C 8.144 -6.404 4.021 1.00 . A A . 8 GLN CD 1 1
1 99 1 1 8 GLN CG C 7.327 -6.106 2.762 1.00 . A A . 8 GLN CG 1 1
1 100 1 1 8 GLN H H 8.781 -4.527 0.250 1.00 . A A . 8 GLN H 1 1
1 101 1 1 8 GLN HA H 6.142 -5.184 0.805 1.00 . A A . 8 GLN HA 1 1
1 102 1 1 8 GLN HB2 H 8.564 -4.426 2.256 1.00 . A A . 8 GLN HB2 1 1
1 103 1 1 8 GLN HB3 H 7.096 -4.007 3.138 1.00 . A A . 8 GLN HB3 1 1
1 104 1 1 8 GLN HE21 H 8.767 -8.173 3.370 1.00 . A A . 8 GLN HE21 1 1
1 105 1 1 8 GLN HE22 H 9.327 -7.728 4.909 1.00 . A A . 8 GLN HE22 1 1
1 106 1 1 8 GLN HG2 H 6.281 -6.298 2.957 1.00 . A A . 8 GLN HG2 1 1
1 107 1 1 8 GLN HG3 H 7.665 -6.741 1.957 1.00 . A A . 8 GLN HG3 1 1
1 108 1 1 8 GLN N N 7.872 -4.261 0.029 1.00 . A A . 8 GLN N 1 1
1 109 1 1 8 GLN NE2 N 8.800 -7.528 4.107 1.00 . A A . 8 GLN NE2 1 1
1 110 1 1 8 GLN O O 4.849 -3.027 1.454 1.00 . A A . 8 GLN O 1 1
1 111 1 1 8 GLN OE1 O 8.185 -5.605 4.936 1.00 . A A . 8 GLN OE1 1 1
1 112 1 1 9 GLY C C 4.999 -0.642 -0.412 1.00 . A A . 9 GLY C 1 1
1 113 1 1 9 GLY CA C 5.973 -0.674 0.755 1.00 . A A . 9 GLY CA 1 1
1 114 1 1 9 GLY H H 7.585 -2.064 0.451 1.00 . A A . 9 GLY H 1 1
1 115 1 1 9 GLY HA2 H 5.437 -0.547 1.686 1.00 . A A . 9 GLY HA2 1 1
1 116 1 1 9 GLY HA3 H 6.699 0.116 0.639 1.00 . A A . 9 GLY HA3 1 1
1 117 1 1 9 GLY N N 6.656 -1.993 0.747 1.00 . A A . 9 GLY N 1 1
1 118 1 1 9 GLY O O 3.798 -0.619 -0.233 1.00 . A A . 9 GLY O 1 1
1 119 1 1 10 ARG C C 3.629 -1.834 -2.643 1.00 . A A . 10 ARG C 1 1
1 120 1 1 10 ARG CA C 4.604 -0.674 -2.788 1.00 . A A . 10 ARG CA 1 1
1 121 1 1 10 ARG CB C 5.516 -0.872 -4.000 1.00 . A A . 10 ARG CB 1 1
1 122 1 1 10 ARG CD C 5.679 -0.628 -6.482 1.00 . A A . 10 ARG CD 1 1
1 123 1 1 10 ARG CG C 4.729 -0.594 -5.283 1.00 . A A . 10 ARG CG 1 1
1 124 1 1 10 ARG CZ C 5.242 -0.743 -8.861 1.00 . A A . 10 ARG CZ 1 1
1 125 1 1 10 ARG H H 6.475 -0.713 -1.734 1.00 . A A . 10 ARG H 1 1
1 126 1 1 10 ARG HA H 4.083 0.254 -2.857 1.00 . A A . 10 ARG HA 1 1
1 127 1 1 10 ARG HB2 H 6.353 -0.192 -3.935 1.00 . A A . 10 ARG HB2 1 1
1 128 1 1 10 ARG HB3 H 5.878 -1.889 -4.016 1.00 . A A . 10 ARG HB3 1 1
1 129 1 1 10 ARG HD2 H 6.402 0.173 -6.410 1.00 . A A . 10 ARG HD2 1 1
1 130 1 1 10 ARG HD3 H 6.177 -1.583 -6.541 1.00 . A A . 10 ARG HD3 1 1
1 131 1 1 10 ARG HE H 3.897 -0.079 -7.560 1.00 . A A . 10 ARG HE 1 1
1 132 1 1 10 ARG HG2 H 3.964 -1.347 -5.406 1.00 . A A . 10 ARG HG2 1 1
1 133 1 1 10 ARG HG3 H 4.269 0.381 -5.219 1.00 . A A . 10 ARG HG3 1 1
1 134 1 1 10 ARG HH11 H 7.165 -0.791 -8.307 1.00 . A A . 10 ARG HH11 1 1
1 135 1 1 10 ARG HH12 H 6.857 -1.139 -9.976 1.00 . A A . 10 ARG HH12 1 1
1 136 1 1 10 ARG HH21 H 3.421 -0.767 -9.694 1.00 . A A . 10 ARG HH21 1 1
1 137 1 1 10 ARG HH22 H 4.738 -1.125 -10.761 1.00 . A A . 10 ARG HH22 1 1
1 138 1 1 10 ARG N N 5.507 -0.672 -1.612 1.00 . A A . 10 ARG N 1 1
1 139 1 1 10 ARG NE N 4.803 -0.436 -7.671 1.00 . A A . 10 ARG NE 1 1
1 140 1 1 10 ARG NH1 N 6.521 -0.903 -9.064 1.00 . A A . 10 ARG NH1 1 1
1 141 1 1 10 ARG NH2 N 4.402 -0.890 -9.849 1.00 . A A . 10 ARG NH2 1 1
1 142 1 1 10 ARG O O 2.488 -1.774 -3.056 1.00 . A A . 10 ARG O 1 1
1 143 1 1 11 LEU C C 2.171 -3.720 -0.776 1.00 . A A . 11 LEU C 1 1
1 144 1 1 11 LEU CA C 3.236 -4.067 -1.797 1.00 . A A . 11 LEU CA 1 1
1 145 1 1 11 LEU CB C 4.181 -5.139 -1.253 1.00 . A A . 11 LEU CB 1 1
1 146 1 1 11 LEU CD1 C 6.190 -6.520 -1.800 1.00 . A A . 11 LEU CD1 1 1
1 147 1 1 11 LEU CD2 C 4.231 -6.496 -3.350 1.00 . A A . 11 LEU CD2 1 1
1 148 1 1 11 LEU CG C 5.071 -5.656 -2.385 1.00 . A A . 11 LEU CG 1 1
1 149 1 1 11 LEU H H 4.990 -2.876 -1.697 1.00 . A A . 11 LEU H 1 1
1 150 1 1 11 LEU HA H 2.796 -4.390 -2.708 1.00 . A A . 11 LEU HA 1 1
1 151 1 1 11 LEU HB2 H 4.797 -4.715 -0.474 1.00 . A A . 11 LEU HB2 1 1
1 152 1 1 11 LEU HB3 H 3.603 -5.957 -0.850 1.00 . A A . 11 LEU HB3 1 1
1 153 1 1 11 LEU HD11 H 7.141 -6.036 -1.964 1.00 . A A . 11 LEU HD11 1 1
1 154 1 1 11 LEU HD12 H 6.190 -7.486 -2.285 1.00 . A A . 11 LEU HD12 1 1
1 155 1 1 11 LEU HD13 H 6.029 -6.649 -0.740 1.00 . A A . 11 LEU HD13 1 1
1 156 1 1 11 LEU HD21 H 4.534 -7.531 -3.283 1.00 . A A . 11 LEU HD21 1 1
1 157 1 1 11 LEU HD22 H 4.380 -6.141 -4.359 1.00 . A A . 11 LEU HD22 1 1
1 158 1 1 11 LEU HD23 H 3.187 -6.409 -3.088 1.00 . A A . 11 LEU HD23 1 1
1 159 1 1 11 LEU HG H 5.502 -4.819 -2.914 1.00 . A A . 11 LEU HG 1 1
1 160 1 1 11 LEU N N 4.087 -2.881 -2.026 1.00 . A A . 11 LEU N 1 1
1 161 1 1 11 LEU O O 1.027 -3.538 -1.099 1.00 . A A . 11 LEU O 1 1
1 162 1 1 12 GLN C C 0.765 -2.034 1.028 1.00 . A A . 12 GLN C 1 1
1 163 1 1 12 GLN CA C 1.555 -3.250 1.492 1.00 . A A . 12 GLN CA 1 1
1 164 1 1 12 GLN CB C 2.375 -2.923 2.741 1.00 . A A . 12 GLN CB 1 1
1 165 1 1 12 GLN CD C 2.557 -4.514 4.659 1.00 . A A . 12 GLN CD 1 1
1 166 1 1 12 GLN CG C 3.059 -4.193 3.250 1.00 . A A . 12 GLN CG 1 1
1 167 1 1 12 GLN H H 3.473 -3.743 0.686 1.00 . A A . 12 GLN H 1 1
1 168 1 1 12 GLN HA H 0.902 -4.073 1.680 1.00 . A A . 12 GLN HA 1 1
1 169 1 1 12 GLN HB2 H 3.123 -2.183 2.496 1.00 . A A . 12 GLN HB2 1 1
1 170 1 1 12 GLN HB3 H 1.723 -2.536 3.509 1.00 . A A . 12 GLN HB3 1 1
1 171 1 1 12 GLN HE21 H 4.375 -4.851 5.383 1.00 . A A . 12 GLN HE21 1 1
1 172 1 1 12 GLN HE22 H 3.106 -5.032 6.495 1.00 . A A . 12 GLN HE22 1 1
1 173 1 1 12 GLN HG2 H 2.829 -5.016 2.588 1.00 . A A . 12 GLN HG2 1 1
1 174 1 1 12 GLN HG3 H 4.128 -4.041 3.276 1.00 . A A . 12 GLN HG3 1 1
1 175 1 1 12 GLN N N 2.546 -3.606 0.453 1.00 . A A . 12 GLN N 1 1
1 176 1 1 12 GLN NE2 N 3.418 -4.825 5.589 1.00 . A A . 12 GLN NE2 1 1
1 177 1 1 12 GLN O O -0.405 -1.890 1.308 1.00 . A A . 12 GLN O 1 1
1 178 1 1 12 GLN OE1 O 1.370 -4.482 4.915 1.00 . A A . 12 GLN OE1 1 1
1 179 1 1 13 ARG C C -0.270 -0.341 -1.291 1.00 . A A . 13 ARG C 1 1
1 180 1 1 13 ARG CA C 0.715 0.042 -0.201 1.00 . A A . 13 ARG CA 1 1
1 181 1 1 13 ARG CB C 1.821 0.934 -0.765 1.00 . A A . 13 ARG CB 1 1
1 182 1 1 13 ARG CD C 2.312 3.093 -1.924 1.00 . A A . 13 ARG CD 1 1
1 183 1 1 13 ARG CG C 1.202 2.186 -1.388 1.00 . A A . 13 ARG CG 1 1
1 184 1 1 13 ARG CZ C 1.453 4.919 -0.585 1.00 . A A . 13 ARG CZ 1 1
1 185 1 1 13 ARG H H 2.336 -1.323 0.083 1.00 . A A . 13 ARG H 1 1
1 186 1 1 13 ARG HA H 0.217 0.538 0.594 1.00 . A A . 13 ARG HA 1 1
1 187 1 1 13 ARG HB2 H 2.493 1.221 0.031 1.00 . A A . 13 ARG HB2 1 1
1 188 1 1 13 ARG HB3 H 2.370 0.392 -1.521 1.00 . A A . 13 ARG HB3 1 1
1 189 1 1 13 ARG HD2 H 3.215 2.963 -1.343 1.00 . A A . 13 ARG HD2 1 1
1 190 1 1 13 ARG HD3 H 2.499 2.885 -2.965 1.00 . A A . 13 ARG HD3 1 1
1 191 1 1 13 ARG HE H 1.689 5.057 -2.551 1.00 . A A . 13 ARG HE 1 1
1 192 1 1 13 ARG HG2 H 0.548 1.898 -2.199 1.00 . A A . 13 ARG HG2 1 1
1 193 1 1 13 ARG HG3 H 0.635 2.718 -0.639 1.00 . A A . 13 ARG HG3 1 1
1 194 1 1 13 ARG HH11 H 3.067 4.156 0.322 1.00 . A A . 13 ARG HH11 1 1
1 195 1 1 13 ARG HH12 H 1.968 5.018 1.348 1.00 . A A . 13 ARG HH12 1 1
1 196 1 1 13 ARG HH21 H -0.238 5.785 -1.215 1.00 . A A . 13 ARG HH21 1 1
1 197 1 1 13 ARG HH22 H 0.097 5.940 0.477 1.00 . A A . 13 ARG HH22 1 1
1 198 1 1 13 ARG N N 1.404 -1.168 0.303 1.00 . A A . 13 ARG N 1 1
1 199 1 1 13 ARG NE N 1.786 4.477 -1.767 1.00 . A A . 13 ARG NE 1 1
1 200 1 1 13 ARG NH1 N 2.223 4.679 0.442 1.00 . A A . 13 ARG NH1 1 1
1 201 1 1 13 ARG NH2 N 0.352 5.601 -0.429 1.00 . A A . 13 ARG NH2 1 1
1 202 1 1 13 ARG O O -1.469 -0.209 -1.144 1.00 . A A . 13 ARG O 1 1
1 203 1 1 14 LEU C C -1.608 -2.329 -3.002 1.00 . A A . 14 LEU C 1 1
1 204 1 1 14 LEU CA C -0.669 -1.234 -3.493 1.00 . A A . 14 LEU CA 1 1
1 205 1 1 14 LEU CB C 0.252 -1.739 -4.613 1.00 . A A . 14 LEU CB 1 1
1 206 1 1 14 LEU CD1 C -0.355 -4.165 -4.721 1.00 . A A . 14 LEU CD1 1 1
1 207 1 1 14 LEU CD2 C 2.004 -3.448 -5.112 1.00 . A A . 14 LEU CD2 1 1
1 208 1 1 14 LEU CG C 0.729 -3.164 -4.315 1.00 . A A . 14 LEU CG 1 1
1 209 1 1 14 LEU H H 1.203 -0.927 -2.455 1.00 . A A . 14 LEU H 1 1
1 210 1 1 14 LEU HA H -1.235 -0.392 -3.833 1.00 . A A . 14 LEU HA 1 1
1 211 1 1 14 LEU HB2 H -0.288 -1.732 -5.549 1.00 . A A . 14 LEU HB2 1 1
1 212 1 1 14 LEU HB3 H 1.109 -1.086 -4.691 1.00 . A A . 14 LEU HB3 1 1
1 213 1 1 14 LEU HD11 H -0.867 -4.519 -3.839 1.00 . A A . 14 LEU HD11 1 1
1 214 1 1 14 LEU HD12 H 0.100 -5.000 -5.232 1.00 . A A . 14 LEU HD12 1 1
1 215 1 1 14 LEU HD13 H -1.062 -3.682 -5.379 1.00 . A A . 14 LEU HD13 1 1
1 216 1 1 14 LEU HD21 H 2.848 -3.487 -4.439 1.00 . A A . 14 LEU HD21 1 1
1 217 1 1 14 LEU HD22 H 2.157 -2.663 -5.837 1.00 . A A . 14 LEU HD22 1 1
1 218 1 1 14 LEU HD23 H 1.906 -4.395 -5.622 1.00 . A A . 14 LEU HD23 1 1
1 219 1 1 14 LEU HG H 0.934 -3.263 -3.260 1.00 . A A . 14 LEU HG 1 1
1 220 1 1 14 LEU N N 0.233 -0.826 -2.379 1.00 . A A . 14 LEU N 1 1
1 221 1 1 14 LEU O O -2.752 -2.420 -3.402 1.00 . A A . 14 LEU O 1 1
1 222 1 1 15 LEU C C -3.006 -3.640 -0.618 1.00 . A A . 15 LEU C 1 1
1 223 1 1 15 LEU CA C -1.972 -4.234 -1.557 1.00 . A A . 15 LEU CA 1 1
1 224 1 1 15 LEU CB C -1.013 -5.150 -0.795 1.00 . A A . 15 LEU CB 1 1
1 225 1 1 15 LEU CD1 C 1.123 -6.431 -0.996 1.00 . A A . 15 LEU CD1 1 1
1 226 1 1 15 LEU CD2 C -0.745 -6.858 -2.597 1.00 . A A . 15 LEU CD2 1 1
1 227 1 1 15 LEU CG C -0.026 -5.787 -1.774 1.00 . A A . 15 LEU CG 1 1
1 228 1 1 15 LEU H H -0.202 -3.023 -1.800 1.00 . A A . 15 LEU H 1 1
1 229 1 1 15 LEU HA H -2.452 -4.774 -2.342 1.00 . A A . 15 LEU HA 1 1
1 230 1 1 15 LEU HB2 H -0.473 -4.574 -0.058 1.00 . A A . 15 LEU HB2 1 1
1 231 1 1 15 LEU HB3 H -1.577 -5.927 -0.300 1.00 . A A . 15 LEU HB3 1 1
1 232 1 1 15 LEU HD11 H 0.828 -7.417 -0.669 1.00 . A A . 15 LEU HD11 1 1
1 233 1 1 15 LEU HD12 H 1.360 -5.823 -0.135 1.00 . A A . 15 LEU HD12 1 1
1 234 1 1 15 LEU HD13 H 1.991 -6.507 -1.633 1.00 . A A . 15 LEU HD13 1 1
1 235 1 1 15 LEU HD21 H -1.811 -6.772 -2.446 1.00 . A A . 15 LEU HD21 1 1
1 236 1 1 15 LEU HD22 H -0.414 -7.836 -2.283 1.00 . A A . 15 LEU HD22 1 1
1 237 1 1 15 LEU HD23 H -0.519 -6.720 -3.644 1.00 . A A . 15 LEU HD23 1 1
1 238 1 1 15 LEU HG H 0.368 -5.027 -2.434 1.00 . A A . 15 LEU HG 1 1
1 239 1 1 15 LEU N N -1.127 -3.143 -2.115 1.00 . A A . 15 LEU N 1 1
1 240 1 1 15 LEU O O -4.196 -3.755 -0.830 1.00 . A A . 15 LEU O 1 1
1 241 1 1 16 GLN C C -4.403 -1.382 0.612 1.00 . A A . 16 GLN C 1 1
1 242 1 1 16 GLN CA C -3.531 -2.383 1.362 1.00 . A A . 16 GLN CA 1 1
1 243 1 1 16 GLN CB C -2.696 -1.679 2.431 1.00 . A A . 16 GLN CB 1 1
1 244 1 1 16 GLN CD C -2.781 -0.447 4.603 1.00 . A A . 16 GLN CD 1 1
1 245 1 1 16 GLN CG C -3.618 -1.144 3.528 1.00 . A A . 16 GLN CG 1 1
1 246 1 1 16 GLN H H -1.600 -2.915 0.557 1.00 . A A . 16 GLN H 1 1
1 247 1 1 16 GLN HA H -4.132 -3.140 1.804 1.00 . A A . 16 GLN HA 1 1
1 248 1 1 16 GLN HB2 H -1.995 -2.381 2.859 1.00 . A A . 16 GLN HB2 1 1
1 249 1 1 16 GLN HB3 H -2.157 -0.858 1.984 1.00 . A A . 16 GLN HB3 1 1
1 250 1 1 16 GLN HE21 H -3.804 -1.236 6.111 1.00 . A A . 16 GLN HE21 1 1
1 251 1 1 16 GLN HE22 H -2.533 -0.204 6.558 1.00 . A A . 16 GLN HE22 1 1
1 252 1 1 16 GLN HG2 H -4.315 -0.438 3.100 1.00 . A A . 16 GLN HG2 1 1
1 253 1 1 16 GLN HG3 H -4.162 -1.963 3.973 1.00 . A A . 16 GLN HG3 1 1
1 254 1 1 16 GLN N N -2.562 -2.996 0.415 1.00 . A A . 16 GLN N 1 1
1 255 1 1 16 GLN NE2 N -3.063 -0.646 5.862 1.00 . A A . 16 GLN NE2 1 1
1 256 1 1 16 GLN O O -5.611 -1.356 0.748 1.00 . A A . 16 GLN O 1 1
1 257 1 1 16 GLN OE1 O -1.862 0.285 4.295 1.00 . A A . 16 GLN OE1 1 1
1 258 1 1 17 ALA C C -5.447 -0.268 -1.986 1.00 . A A . 17 ALA C 1 1
1 259 1 1 17 ALA CA C -4.551 0.438 -0.969 1.00 . A A . 17 ALA CA 1 1
1 260 1 1 17 ALA CB C -3.493 1.283 -1.678 1.00 . A A . 17 ALA CB 1 1
1 261 1 1 17 ALA H H -2.827 -0.624 -0.274 1.00 . A A . 17 ALA H 1 1
1 262 1 1 17 ALA HA H -5.133 1.053 -0.310 1.00 . A A . 17 ALA HA 1 1
1 263 1 1 17 ALA HB1 H -3.958 2.161 -2.101 1.00 . A A . 17 ALA HB1 1 1
1 264 1 1 17 ALA HB2 H -3.037 0.703 -2.466 1.00 . A A . 17 ALA HB2 1 1
1 265 1 1 17 ALA HB3 H -2.737 1.584 -0.968 1.00 . A A . 17 ALA HB3 1 1
1 266 1 1 17 ALA N N -3.789 -0.568 -0.187 1.00 . A A . 17 ALA N 1 1
1 267 1 1 17 ALA O O -6.619 0.027 -2.104 1.00 . A A . 17 ALA O 1 1
1 268 1 1 18 SER C C -6.222 -3.237 -3.107 1.00 . A A . 18 SER C 1 1
1 269 1 1 18 SER CA C -5.736 -1.929 -3.710 1.00 . A A . 18 SER CA 1 1
1 270 1 1 18 SER CB C -4.823 -2.177 -4.910 1.00 . A A . 18 SER CB 1 1
1 271 1 1 18 SER H H -3.977 -1.439 -2.608 1.00 . A A . 18 SER H 1 1
1 272 1 1 18 SER HA H -6.564 -1.322 -3.988 1.00 . A A . 18 SER HA 1 1
1 273 1 1 18 SER HB2 H -4.087 -1.393 -4.973 1.00 . A A . 18 SER HB2 1 1
1 274 1 1 18 SER HB3 H -4.323 -3.129 -4.789 1.00 . A A . 18 SER HB3 1 1
1 275 1 1 18 SER HG H -5.318 -2.927 -6.635 1.00 . A A . 18 SER HG 1 1
1 276 1 1 18 SER N N -4.910 -1.207 -2.718 1.00 . A A . 18 SER N 1 1
1 277 1 1 18 SER O O -6.424 -4.224 -3.786 1.00 . A A . 18 SER O 1 1
1 278 1 1 18 SER OG O -5.602 -2.184 -6.099 1.00 . A A . 18 SER OG 1 1
1 279 1 1 19 GLY C C -7.233 -4.148 0.327 1.00 . A A . 19 GLY C 1 1
1 280 1 1 19 GLY CA C -6.884 -4.466 -1.131 1.00 . A A . 19 GLY CA 1 1
1 281 1 1 19 GLY H H -6.231 -2.416 -1.320 1.00 . A A . 19 GLY H 1 1
1 282 1 1 19 GLY HA2 H -7.761 -4.844 -1.637 1.00 . A A . 19 GLY HA2 1 1
1 283 1 1 19 GLY HA3 H -6.106 -5.214 -1.155 1.00 . A A . 19 GLY HA3 1 1
1 284 1 1 19 GLY N N -6.408 -3.235 -1.825 1.00 . A A . 19 GLY N 1 1
1 285 1 1 19 GLY O O -7.196 -5.011 1.181 1.00 . A A . 19 GLY O 1 1
1 286 1 1 20 ASN C C -8.595 -1.202 2.078 1.00 . A A . 20 ASN C 1 1
1 287 1 1 20 ASN CA C -7.933 -2.572 2.030 1.00 . A A . 20 ASN CA 1 1
1 288 1 1 20 ASN CB C -6.607 -2.561 2.791 1.00 . A A . 20 ASN CB 1 1
1 289 1 1 20 ASN CG C -6.849 -2.966 4.246 1.00 . A A . 20 ASN CG 1 1
1 290 1 1 20 ASN H H -7.610 -2.233 -0.076 1.00 . A A . 20 ASN H 1 1
1 291 1 1 20 ASN HA H -8.585 -3.309 2.445 1.00 . A A . 20 ASN HA 1 1
1 292 1 1 20 ASN HB2 H -5.924 -3.259 2.331 1.00 . A A . 20 ASN HB2 1 1
1 293 1 1 20 ASN HB3 H -6.183 -1.568 2.762 1.00 . A A . 20 ASN HB3 1 1
1 294 1 1 20 ASN HD21 H -5.020 -3.698 4.494 1.00 . A A . 20 ASN HD21 1 1
1 295 1 1 20 ASN HD22 H -6.033 -3.799 5.853 1.00 . A A . 20 ASN HD22 1 1
1 296 1 1 20 ASN N N -7.578 -2.922 0.624 1.00 . A A . 20 ASN N 1 1
1 297 1 1 20 ASN ND2 N -5.887 -3.535 4.920 1.00 . A A . 20 ASN ND2 1 1
1 298 1 1 20 ASN O O -9.769 -1.071 2.361 1.00 . A A . 20 ASN O 1 1
1 299 1 1 20 ASN OD1 O -7.924 -2.764 4.774 1.00 . A A . 20 ASN OD1 1 1
1 300 1 1 21 HIS C C -8.499 1.727 0.384 1.00 . A A . 21 HIS C 1 1
1 301 1 1 21 HIS CA C -8.421 1.189 1.807 1.00 . A A . 21 HIS CA 1 1
1 302 1 1 21 HIS CB C -7.462 2.023 2.656 1.00 . A A . 21 HIS CB 1 1
1 303 1 1 21 HIS CD2 C -8.463 1.232 4.954 1.00 . A A . 21 HIS CD2 1 1
1 304 1 1 21 HIS CE1 C -8.675 3.174 5.890 1.00 . A A . 21 HIS CE1 1 1
1 305 1 1 21 HIS CG C -8.015 2.162 4.048 1.00 . A A . 21 HIS CG 1 1
1 306 1 1 21 HIS H H -6.913 -0.329 1.562 1.00 . A A . 21 HIS H 1 1
1 307 1 1 21 HIS HA H -9.400 1.176 2.248 1.00 . A A . 21 HIS HA 1 1
1 308 1 1 21 HIS HB2 H -6.500 1.534 2.698 1.00 . A A . 21 HIS HB2 1 1
1 309 1 1 21 HIS HB3 H -7.349 3.003 2.216 1.00 . A A . 21 HIS HB3 1 1
1 310 1 1 21 HIS HD1 H -7.929 4.265 4.283 1.00 . A A . 21 HIS HD1 1 1
1 311 1 1 21 HIS HD2 H -8.489 0.165 4.789 1.00 . A A . 21 HIS HD2 1 1
1 312 1 1 21 HIS HE1 H -8.897 3.955 6.603 1.00 . A A . 21 HIS HE1 1 1
1 313 1 1 21 HIS N N -7.849 -0.185 1.793 1.00 . A A . 21 HIS N 1 1
1 314 1 1 21 HIS ND1 N -8.160 3.393 4.667 1.00 . A A . 21 HIS ND1 1 1
1 315 1 1 21 HIS NE2 N -8.880 1.874 6.116 1.00 . A A . 21 HIS NE2 1 1
1 316 1 1 21 HIS O O -8.341 2.907 0.133 1.00 . A A . 21 HIS O 1 1
1 317 1 1 22 ALA C C -9.936 2.349 -2.090 1.00 . A A . 22 ALA C 1 1
1 318 1 1 22 ALA CA C -8.856 1.288 -1.962 1.00 . A A . 22 ALA CA 1 1
1 319 1 1 22 ALA CB C -9.231 0.029 -2.743 1.00 . A A . 22 ALA CB 1 1
1 320 1 1 22 ALA H H -8.881 -0.077 -0.306 1.00 . A A . 22 ALA H 1 1
1 321 1 1 22 ALA HA H -7.919 1.669 -2.297 1.00 . A A . 22 ALA HA 1 1
1 322 1 1 22 ALA HB1 H -8.512 -0.134 -3.531 1.00 . A A . 22 ALA HB1 1 1
1 323 1 1 22 ALA HB2 H -10.215 0.151 -3.172 1.00 . A A . 22 ALA HB2 1 1
1 324 1 1 22 ALA HB3 H -9.233 -0.821 -2.076 1.00 . A A . 22 ALA HB3 1 1
1 325 1 1 22 ALA N N -8.753 0.858 -0.545 1.00 . A A . 22 ALA N 1 1
1 326 1 1 22 ALA O O -9.854 3.254 -2.900 1.00 . A A . 22 ALA O 1 1
1 327 1 1 23 ALA C C -11.504 4.546 -0.691 1.00 . A A . 23 ALA C 1 1
1 328 1 1 23 ALA CA C -12.022 3.268 -1.317 1.00 . A A . 23 ALA CA 1 1
1 329 1 1 23 ALA CB C -13.179 2.678 -0.511 1.00 . A A . 23 ALA CB 1 1
1 330 1 1 23 ALA H H -10.958 1.527 -0.621 1.00 . A A . 23 ALA H 1 1
1 331 1 1 23 ALA HA H -12.314 3.450 -2.330 1.00 . A A . 23 ALA HA 1 1
1 332 1 1 23 ALA HB1 H -14.098 2.782 -1.069 1.00 . A A . 23 ALA HB1 1 1
1 333 1 1 23 ALA HB2 H -13.268 3.203 0.429 1.00 . A A . 23 ALA HB2 1 1
1 334 1 1 23 ALA HB3 H -12.990 1.632 -0.321 1.00 . A A . 23 ALA HB3 1 1
1 335 1 1 23 ALA N N -10.937 2.254 -1.273 1.00 . A A . 23 ALA N 1 1
1 336 1 1 23 ALA O O -11.537 5.605 -1.290 1.00 . A A . 23 ALA O 1 1
1 337 1 1 24 GLY C C -9.251 6.125 0.182 1.00 . A A . 24 GLY C 1 1
1 338 1 1 24 GLY CA C -10.377 5.654 1.103 1.00 . A A . 24 GLY CA 1 1
1 339 1 1 24 GLY H H -10.900 3.580 0.933 1.00 . A A . 24 GLY H 1 1
1 340 1 1 24 GLY HA2 H -11.132 6.424 1.195 1.00 . A A . 24 GLY HA2 1 1
1 341 1 1 24 GLY HA3 H -9.973 5.413 2.073 1.00 . A A . 24 GLY HA3 1 1
1 342 1 1 24 GLY N N -10.963 4.449 0.485 1.00 . A A . 24 GLY N 1 1
1 343 1 1 24 GLY O O -8.807 7.254 0.256 1.00 . A A . 24 GLY O 1 1
1 344 1 1 25 ILE C C -8.355 6.271 -2.904 1.00 . A A . 25 ILE C 1 1
1 345 1 1 25 ILE CA C -7.721 5.677 -1.656 1.00 . A A . 25 ILE CA 1 1
1 346 1 1 25 ILE CB C -6.961 4.391 -1.985 1.00 . A A . 25 ILE CB 1 1
1 347 1 1 25 ILE CD1 C -4.869 5.015 -0.763 1.00 . A A . 25 ILE CD1 1 1
1 348 1 1 25 ILE CG1 C -6.041 4.032 -0.815 1.00 . A A . 25 ILE CG1 1 1
1 349 1 1 25 ILE CG2 C -6.120 4.600 -3.246 1.00 . A A . 25 ILE CG2 1 1
1 350 1 1 25 ILE H H -9.190 4.361 -0.785 1.00 . A A . 25 ILE H 1 1
1 351 1 1 25 ILE HA H -7.070 6.389 -1.192 1.00 . A A . 25 ILE HA 1 1
1 352 1 1 25 ILE HB H -7.665 3.589 -2.150 1.00 . A A . 25 ILE HB 1 1
1 353 1 1 25 ILE HD11 H -4.372 5.033 -1.722 1.00 . A A . 25 ILE HD11 1 1
1 354 1 1 25 ILE HD12 H -4.171 4.703 -0.001 1.00 . A A . 25 ILE HD12 1 1
1 355 1 1 25 ILE HD13 H -5.239 6.003 -0.530 1.00 . A A . 25 ILE HD13 1 1
1 356 1 1 25 ILE HG12 H -6.597 4.085 0.110 1.00 . A A . 25 ILE HG12 1 1
1 357 1 1 25 ILE HG13 H -5.661 3.030 -0.950 1.00 . A A . 25 ILE HG13 1 1
1 358 1 1 25 ILE HG21 H -5.925 5.654 -3.379 1.00 . A A . 25 ILE HG21 1 1
1 359 1 1 25 ILE HG22 H -6.659 4.223 -4.104 1.00 . A A . 25 ILE HG22 1 1
1 360 1 1 25 ILE HG23 H -5.185 4.070 -3.148 1.00 . A A . 25 ILE HG23 1 1
1 361 1 1 25 ILE N N -8.801 5.267 -0.716 1.00 . A A . 25 ILE N 1 1
1 362 1 1 25 ILE O O -7.860 7.214 -3.490 1.00 . A A . 25 ILE O 1 1
1 363 1 1 26 LEU C C -11.146 7.373 -4.047 1.00 . A A . 26 LEU C 1 1
1 364 1 1 26 LEU CA C -10.184 6.262 -4.482 1.00 . A A . 26 LEU CA 1 1
1 365 1 1 26 LEU CB C -10.957 5.069 -5.047 1.00 . A A . 26 LEU CB 1 1
1 366 1 1 26 LEU CD1 C -10.690 3.025 -6.459 1.00 . A A . 26 LEU CD1 1 1
1 367 1 1 26 LEU CD2 C -10.288 5.285 -7.444 1.00 . A A . 26 LEU CD2 1 1
1 368 1 1 26 LEU CG C -10.154 4.430 -6.181 1.00 . A A . 26 LEU CG 1 1
1 369 1 1 26 LEU H H -9.844 4.991 -2.779 1.00 . A A . 26 LEU H 1 1
1 370 1 1 26 LEU HA H -9.483 6.631 -5.211 1.00 . A A . 26 LEU HA 1 1
1 371 1 1 26 LEU HB2 H -11.118 4.342 -4.265 1.00 . A A . 26 LEU HB2 1 1
1 372 1 1 26 LEU HB3 H -11.909 5.405 -5.429 1.00 . A A . 26 LEU HB3 1 1
1 373 1 1 26 LEU HD11 H -11.768 3.058 -6.525 1.00 . A A . 26 LEU HD11 1 1
1 374 1 1 26 LEU HD12 H -10.398 2.363 -5.658 1.00 . A A . 26 LEU HD12 1 1
1 375 1 1 26 LEU HD13 H -10.284 2.663 -7.392 1.00 . A A . 26 LEU HD13 1 1
1 376 1 1 26 LEU HD21 H -10.296 4.644 -8.313 1.00 . A A . 26 LEU HD21 1 1
1 377 1 1 26 LEU HD22 H -9.453 5.967 -7.507 1.00 . A A . 26 LEU HD22 1 1
1 378 1 1 26 LEU HD23 H -11.209 5.847 -7.402 1.00 . A A . 26 LEU HD23 1 1
1 379 1 1 26 LEU HG H -9.114 4.368 -5.895 1.00 . A A . 26 LEU HG 1 1
1 380 1 1 26 LEU N N -9.468 5.732 -3.291 1.00 . A A . 26 LEU N 1 1
1 381 1 1 26 LEU O O -11.817 7.981 -4.857 1.00 . A A . 26 LEU O 1 1
1 382 1 1 27 THR C C -11.668 9.185 -0.886 1.00 . A A . 27 THR C 1 1
1 383 1 1 27 THR CA C -12.121 8.715 -2.273 1.00 . A A . 27 THR CA 1 1
1 384 1 1 27 THR CB C -13.501 8.060 -2.195 1.00 . A A . 27 THR CB 1 1
1 385 1 1 27 THR CG2 C -14.553 9.119 -1.866 1.00 . A A . 27 THR CG2 1 1
1 386 1 1 27 THR H H -10.661 7.147 -2.132 1.00 . A A . 27 THR H 1 1
1 387 1 1 27 THR HA H -12.142 9.542 -2.964 1.00 . A A . 27 THR HA 1 1
1 388 1 1 27 THR HB H -13.499 7.307 -1.422 1.00 . A A . 27 THR HB 1 1
1 389 1 1 27 THR HG1 H -14.302 6.653 -3.273 1.00 . A A . 27 THR HG1 1 1
1 390 1 1 27 THR HG21 H -15.390 9.018 -2.541 1.00 . A A . 27 THR HG21 1 1
1 391 1 1 27 THR HG22 H -14.120 10.103 -1.973 1.00 . A A . 27 THR HG22 1 1
1 392 1 1 27 THR HG23 H -14.893 8.985 -0.849 1.00 . A A . 27 THR HG23 1 1
1 393 1 1 27 THR N N -11.212 7.645 -2.768 1.00 . A A . 27 THR N 1 1
1 394 1 1 27 THR O O -12.466 9.621 -0.080 1.00 . A A . 27 THR O 1 1
1 395 1 1 27 THR OG1 O -13.807 7.457 -3.445 1.00 . A A . 27 THR OG1 1 1
1 396 1 1 28 MET C C -10.574 10.843 1.156 1.00 . A A . 28 MET C 1 1
1 397 1 1 28 MET CA C -9.886 9.543 0.729 1.00 . A A . 28 MET CA 1 1
1 398 1 1 28 MET CB C -8.388 9.776 0.527 1.00 . A A . 28 MET CB 1 1
1 399 1 1 28 MET CE C -4.990 9.068 1.354 1.00 . A A . 28 MET CE 1 1
1 400 1 1 28 MET CG C -7.639 9.438 1.817 1.00 . A A . 28 MET CG 1 1
1 401 1 1 28 MET H H -9.767 8.745 -1.270 1.00 . A A . 28 MET H 1 1
1 402 1 1 28 MET HA H -10.042 8.773 1.468 1.00 . A A . 28 MET HA 1 1
1 403 1 1 28 MET HB2 H -8.031 9.145 -0.274 1.00 . A A . 28 MET HB2 1 1
1 404 1 1 28 MET HB3 H -8.216 10.812 0.274 1.00 . A A . 28 MET HB3 1 1
1 405 1 1 28 MET HE1 H -5.566 8.283 0.883 1.00 . A A . 28 MET HE1 1 1
1 406 1 1 28 MET HE2 H -4.470 8.665 2.208 1.00 . A A . 28 MET HE2 1 1
1 407 1 1 28 MET HE3 H -4.271 9.466 0.651 1.00 . A A . 28 MET HE3 1 1
1 408 1 1 28 MET HG2 H -8.257 9.686 2.667 1.00 . A A . 28 MET HG2 1 1
1 409 1 1 28 MET HG3 H -7.410 8.383 1.834 1.00 . A A . 28 MET HG3 1 1
1 410 1 1 28 MET N N -10.392 9.099 -0.604 1.00 . A A . 28 MET N 1 1
1 411 1 1 28 MET O O -10.939 11.612 0.281 1.00 . A A . 28 MET O 1 1
1 412 1 1 28 MET OXT O -10.723 11.048 2.349 1.00 . A A . 28 MET OXT 1 1
1 413 1 1 28 MET SD S -6.102 10.391 1.890 1.00 . A A . 28 MET SD 1 1
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