NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
468788 |
1a93   |
4200 | cing | 4-filtered-FRED | STAR | entry | full | 533 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1a93
# This FRED archive file contains, for PDB entry <1a93>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_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_1a93
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1a93
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 7637.60
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 $MYC_PROTO_ONCOGENE_PROTEIN A . 1 1
2 . 2 $MAX_PROTEIN B . 1 1
stop_
save_
save_MYC_PROTO_ONCOGENE_PROTEIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "MYC PROTO ONCOGENE PROTEIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XCGGVQAEEQKLISEEDLLRKRREQLKHKLEQLX
_Entity.Number_of_monomers 34
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 ACE $ACE 1 1
2 CYS . 1 1
3 GLY . 1 1
4 GLY . 1 1
5 VAL . 1 1
6 GLN . 1 1
7 ALA . 1 1
8 GLU . 1 1
9 GLU . 1 1
10 GLN . 1 1
11 LYS . 1 1
12 LEU . 1 1
13 ILE . 1 1
14 SER . 1 1
15 GLU . 1 1
16 GLU . 1 1
17 ASP . 1 1
18 LEU . 1 1
19 LEU . 1 1
20 ARG . 1 1
21 LYS . 1 1
22 ARG . 1 1
23 ARG . 1 1
24 GLU . 1 1
25 GLN . 1 1
26 LEU . 1 1
27 LYS . 1 1
28 HIS . 1 1
29 LYS . 1 1
30 LEU . 1 1
31 GLU . 1 1
32 GLN . 1 1
33 LEU . 1 1
34 NH2 $NH2 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
ACE 1 1 1 1
CYS 2 2 1 1
GLY 3 3 1 1
GLY 4 4 1 1
VAL 5 5 1 1
GLN 6 6 1 1
ALA 7 7 1 1
GLU 8 8 1 1
GLU 9 9 1 1
GLN 10 10 1 1
LYS 11 11 1 1
LEU 12 12 1 1
ILE 13 13 1 1
SER 14 14 1 1
GLU 15 15 1 1
GLU 16 16 1 1
ASP 17 17 1 1
LEU 18 18 1 1
LEU 19 19 1 1
ARG 20 20 1 1
LYS 21 21 1 1
ARG 22 22 1 1
ARG 23 23 1 1
GLU 24 24 1 1
GLN 25 25 1 1
LEU 26 26 1 1
LYS 27 27 1 1
HIS 28 28 1 1
LYS 29 29 1 1
LEU 30 30 1 1
GLU 31 31 1 1
GLN 32 32 1 1
LEU 33 33 1 1
NH2 34 34 1 1
stop_
save_
save_MAX_PROTEIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "MAX PROTEIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XCGGMRRKNDTHQQDIDDLKRQNALLEQQVRALX
_Entity.Number_of_monomers 34
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 ACE $ACE 1 2
2 CYS . 1 2
3 GLY . 1 2
4 GLY . 1 2
5 MET . 1 2
6 ARG . 1 2
7 ARG . 1 2
8 LYS . 1 2
9 ASN . 1 2
10 ASP . 1 2
11 THR . 1 2
12 HIS . 1 2
13 GLN . 1 2
14 GLN . 1 2
15 ASP . 1 2
16 ILE . 1 2
17 ASP . 1 2
18 ASP . 1 2
19 LEU . 1 2
20 LYS . 1 2
21 ARG . 1 2
22 GLN . 1 2
23 ASN . 1 2
24 ALA . 1 2
25 LEU . 1 2
26 LEU . 1 2
27 GLU . 1 2
28 GLN . 1 2
29 GLN . 1 2
30 VAL . 1 2
31 ARG . 1 2
32 ALA . 1 2
33 LEU . 1 2
34 NH2 $NH2 1 2
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
ACE 1 1 1 2
CYS 2 2 1 2
GLY 3 3 1 2
GLY 4 4 1 2
MET 5 5 1 2
ARG 6 6 1 2
ARG 7 7 1 2
LYS 8 8 1 2
ASN 9 9 1 2
ASP 10 10 1 2
THR 11 11 1 2
HIS 12 12 1 2
GLN 13 13 1 2
GLN 14 14 1 2
ASP 15 15 1 2
ILE 16 16 1 2
ASP 17 17 1 2
ASP 18 18 1 2
LEU 19 19 1 2
LYS 20 20 1 2
ARG 21 21 1 2
GLN 22 22 1 2
ASN 23 23 1 2
ALA 24 24 1 2
LEU 25 25 1 2
LEU 26 26 1 2
GLU 27 27 1 2
GLN 28 28 1 2
GLN 29 29 1 2
VAL 30 30 1 2
ARG 31 31 1 2
ALA 32 32 1 2
LEU 33 33 1 2
NH2 34 34 1 2
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
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
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
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
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 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 5 VAL HA a 6 . HA 1 1
1 1 2 1 1 6 GLN H a 7 . HN 1 1
2 1 1 1 1 7 ALA HA a 8 . HA 1 1
2 1 2 1 1 8 GLU H a 9 . HN 1 1
3 1 1 1 1 13 ILE HA a 14 . HA 1 1
3 1 2 1 1 14 SER H a 15 . HN 1 1
4 1 1 1 1 14 SER HA a 15 . HA 1 1
4 1 2 1 1 15 GLU H a 16 . HN 1 1
5 1 1 1 1 16 GLU HA a 17 . HA 1 1
5 1 2 1 1 17 ASP H a 18 . HN 1 1
6 1 1 1 1 17 ASP HA a 18 . HA 1 1
6 1 2 1 1 18 LEU H a 19 . HN 1 1
7 1 1 1 1 18 LEU HA a 19 . HA 1 1
7 1 2 1 1 19 LEU H a 20 . HN 1 1
8 1 1 1 1 22 ARG HA a 23 . HA 1 1
8 1 2 1 1 23 ARG H a 24 . HN 1 1
9 1 1 1 1 25 GLN HA a 26 . HA 1 1
9 1 2 1 1 26 LEU H a 27 . HN 1 1
10 1 1 1 1 28 HIS HA a 29 . HA 1 1
10 1 2 1 1 29 LYS H a 30 . HN 1 1
11 1 1 1 1 32 GLN HA a 33 . HA 1 1
11 1 2 1 1 33 LEU H a 34 . HN 1 1
12 1 1 1 1 5 VAL H a 6 . HN 1 1
12 1 2 1 1 6 GLN H a 7 . HN 1 1
13 1 1 1 1 8 GLU H a 9 . HN 1 1
13 1 2 1 1 9 GLU H a 10 . HN 1 1
14 1 1 1 1 9 GLU H a 10 . HN 1 1
14 1 2 1 1 10 GLN H a 11 . HN 1 1
15 1 1 1 1 13 ILE H a 14 . HN 1 1
15 1 2 1 1 14 SER H a 15 . HN 1 1
16 1 1 1 1 14 SER H a 15 . HN 1 1
16 1 2 1 1 15 GLU H a 16 . HN 1 1
17 1 1 1 1 15 GLU H a 16 . HN 1 1
17 1 2 1 1 16 GLU H a 17 . HN 1 1
18 1 1 1 1 16 GLU H a 17 . HN 1 1
18 1 2 1 1 17 ASP H a 18 . HN 1 1
19 1 1 1 1 17 ASP H a 18 . HN 1 1
19 1 2 1 1 18 LEU H a 19 . HN 1 1
20 1 1 1 1 23 ARG H a 24 . HN 1 1
20 1 2 1 1 24 GLU H a 25 . HN 1 1
21 1 1 1 1 24 GLU H a 25 . HN 1 1
21 1 2 1 1 25 GLN H a 26 . HN 1 1
22 1 1 1 1 25 GLN H a 26 . HN 1 1
22 1 2 1 1 26 LEU H a 27 . HN 1 1
23 1 1 1 1 27 LYS H a 28 . HN 1 1
23 1 2 1 1 28 HIS H a 29 . HN 1 1
24 1 1 1 1 30 LEU H a 31 . HN 1 1
24 1 2 1 1 31 GLU H a 32 . HN 1 1
25 1 1 1 1 31 GLU H a 32 . HN 1 1
25 1 2 1 1 32 GLN H a 33 . HN 1 1
26 1 1 1 1 32 GLN H a 33 . HN 1 1
26 1 2 1 1 33 LEU H a 34 . HN 1 1
27 1 1 1 1 5 VAL HB a 6 . HB 1 1
27 1 2 1 1 6 GLN H a 7 . HN 1 1
28 1 1 1 1 7 ALA MB a 8 . HB* 1 1
28 1 2 1 1 8 GLU H a 9 . HN 1 1
29 1 1 1 1 9 GLU QB a 10 . HB* 1 1
29 1 2 1 1 10 GLN H a 11 . HN 1 1
30 1 1 1 1 10 GLN QB a 11 . HB* 1 1
30 1 2 1 1 11 LYS H a 12 . HN 1 1
31 1 1 1 1 12 LEU HB3 a 13 . HB1 1 1
31 1 2 1 1 13 ILE H a 14 . HN 1 1
32 1 1 1 1 12 LEU HB2 a 13 . HB2 1 1
32 1 2 1 1 13 ILE H a 14 . HN 1 1
33 1 1 1 1 13 ILE HB a 14 . HB 1 1
33 1 2 1 1 14 SER H a 15 . HN 1 1
34 1 1 1 1 14 SER QB a 15 . HB* 1 1
34 1 2 1 1 15 GLU H a 16 . HN 1 1
35 1 1 1 1 17 ASP HB3 a 18 . HB1 1 1
35 1 2 1 1 18 LEU H a 19 . HN 1 1
36 1 1 1 1 17 ASP HB2 a 18 . HB2 1 1
36 1 2 1 1 18 LEU H a 19 . HN 1 1
37 1 1 1 1 18 LEU HB3 a 19 . HB1 1 1
37 1 2 1 1 19 LEU H a 20 . HN 1 1
38 1 1 1 1 18 LEU HB2 a 19 . HB2 1 1
38 1 2 1 1 19 LEU H a 20 . HN 1 1
39 1 1 1 1 19 LEU HB3 a 20 . HB1 1 1
39 1 2 1 1 20 ARG H a 21 . HN 1 1
40 1 1 1 1 19 LEU HB2 a 20 . HB2 1 1
40 1 2 1 1 20 ARG H a 21 . HN 1 1
41 1 1 1 1 22 ARG QB a 23 . HB* 1 1
41 1 2 1 1 23 ARG H a 24 . HN 1 1
42 1 1 1 1 23 ARG HB3 a 24 . HB1 1 1
42 1 2 1 1 24 GLU H a 25 . HN 1 1
43 1 1 1 1 23 ARG HB2 a 24 . HB2 1 1
43 1 2 1 1 24 GLU H a 25 . HN 1 1
44 1 1 1 1 24 GLU QB a 25 . HB* 1 1
44 1 2 1 1 25 GLN H a 26 . HN 1 1
45 1 1 1 1 26 LEU HB3 a 27 . HB1 1 1
45 1 2 1 1 27 LYS H a 28 . HN 1 1
46 1 1 1 1 26 LEU HB2 a 27 . HB2 1 1
46 1 2 1 1 27 LYS H a 28 . HN 1 1
47 1 1 1 1 28 HIS QB a 29 . HB* 1 1
47 1 2 1 1 29 LYS H a 30 . HN 1 1
48 1 1 1 1 30 LEU HB2 a 31 . HB2 1 1
48 1 2 1 1 31 GLU H a 32 . HN 1 1
49 1 1 1 1 32 GLN QB a 33 . HB* 1 1
49 1 2 1 1 33 LEU H a 34 . HN 1 1
50 1 1 2 2 9 ASN HA b 10 . HA 1 1
50 1 2 2 2 10 ASP H b 11 . HN 1 1
51 1 1 2 2 10 ASP HA b 11 . HA 1 1
51 1 2 2 2 11 THR H b 12 . HN 1 1
52 1 1 2 2 11 THR HA b 12 . HA 1 1
52 1 2 2 2 12 HIS H b 13 . HN 1 1
53 1 1 2 2 12 HIS HA b 13 . HA 1 1
53 1 2 2 2 13 GLN H b 14 . HN 1 1
54 1 1 2 2 16 ILE HA b 17 . HA 1 1
54 1 2 2 2 17 ASP H b 18 . HN 1 1
55 1 1 2 2 17 ASP HA b 18 . HA 1 1
55 1 2 2 2 18 ASP H b 19 . HN 1 1
56 1 1 2 2 18 ASP HA b 19 . HA 1 1
56 1 2 2 2 19 LEU H b 20 . HN 1 1
57 1 1 2 2 20 LYS HA b 21 . HA 1 1
57 1 2 2 2 21 ARG H b 22 . HN 1 1
58 1 1 2 2 22 GLN HA b 23 . HA 1 1
58 1 2 2 2 23 ASN H b 24 . HN 1 1
59 1 1 2 2 23 ASN HA b 24 . HA 1 1
59 1 2 2 2 24 ALA H b 25 . HN 1 1
60 1 1 2 2 24 ALA HA b 25 . HA 1 1
60 1 2 2 2 25 LEU H b 26 . HN 1 1
61 1 1 2 2 26 LEU HA b 27 . HA 1 1
61 1 2 2 2 27 GLU H b 28 . HN 1 1
62 1 1 2 2 27 GLU HA b 28 . HA 1 1
62 1 2 2 2 28 GLN H b 29 . HN 1 1
63 1 1 2 2 28 GLN HA b 29 . HA 1 1
63 1 2 2 2 29 GLN H b 30 . HN 1 1
64 1 1 2 2 29 GLN HA b 30 . HA 1 1
64 1 2 2 2 30 VAL H b 31 . HN 1 1
65 1 1 2 2 30 VAL HA b 31 . HA 1 1
65 1 2 2 2 31 ARG H b 32 . HN 1 1
66 1 1 2 2 31 ARG HA b 32 . HA 1 1
66 1 2 2 2 32 ALA H b 33 . HN 1 1
67 1 1 2 2 10 ASP H b 11 . HN 1 1
67 1 2 2 2 11 THR H b 12 . HN 1 1
68 1 1 2 2 11 THR H b 12 . HN 1 1
68 1 2 2 2 12 HIS H b 13 . HN 1 1
69 1 1 2 2 12 HIS H b 13 . HN 1 1
69 1 2 2 2 13 GLN H b 14 . HN 1 1
70 1 1 2 2 13 GLN H b 14 . HN 1 1
70 1 2 2 2 14 GLN H b 15 . HN 1 1
71 1 1 2 2 15 ASP H b 16 . HN 1 1
71 1 2 2 2 16 ILE H b 17 . HN 1 1
72 1 1 2 2 17 ASP H b 18 . HN 1 1
72 1 2 2 2 18 ASP H b 19 . HN 1 1
73 1 1 2 2 18 ASP H b 19 . HN 1 1
73 1 2 2 2 19 LEU H b 20 . HN 1 1
74 1 1 2 2 19 LEU H b 20 . HN 1 1
74 1 2 2 2 20 LYS H b 21 . HN 1 1
75 1 1 2 2 20 LYS H b 21 . HN 1 1
75 1 2 2 2 21 ARG H b 22 . HN 1 1
76 1 1 2 2 21 ARG H b 22 . HN 1 1
76 1 2 2 2 22 GLN H b 23 . HN 1 1
77 1 1 2 2 22 GLN H b 23 . HN 1 1
77 1 2 2 2 23 ASN H b 24 . HN 1 1
78 1 1 2 2 23 ASN H b 24 . HN 1 1
78 1 2 2 2 24 ALA H b 25 . HN 1 1
79 1 1 2 2 24 ALA H b 25 . HN 1 1
79 1 2 2 2 25 LEU H b 26 . HN 1 1
80 1 1 2 2 25 LEU H b 26 . HN 1 1
80 1 2 2 2 26 LEU H b 27 . HN 1 1
81 1 1 2 2 26 LEU H b 27 . HN 1 1
81 1 2 2 2 27 GLU H b 28 . HN 1 1
82 1 1 2 2 27 GLU H b 28 . HN 1 1
82 1 2 2 2 28 GLN H b 29 . HN 1 1
83 1 1 2 2 28 GLN H b 29 . HN 1 1
83 1 2 2 2 29 GLN H b 30 . HN 1 1
84 1 1 2 2 29 GLN H b 30 . HN 1 1
84 1 2 2 2 30 VAL H b 31 . HN 1 1
85 1 1 2 2 30 VAL H b 31 . HN 1 1
85 1 2 2 2 31 ARG H b 32 . HN 1 1
86 1 1 2 2 31 ARG H b 32 . HN 1 1
86 1 2 2 2 32 ALA H b 33 . HN 1 1
87 1 1 2 2 32 ALA H b 33 . HN 1 1
87 1 2 2 2 33 LEU H b 34 . HN 1 1
88 1 1 2 2 9 ASN HB2 b 10 . HB2 1 1
88 1 2 2 2 10 ASP H b 11 . HN 1 1
89 1 1 2 2 10 ASP HB3 b 11 . HB1 1 1
89 1 2 2 2 11 THR H b 12 . HN 1 1
90 1 1 2 2 10 ASP HB2 b 11 . HB2 1 1
90 1 2 2 2 11 THR H b 12 . HN 1 1
91 1 1 2 2 11 THR HB b 12 . HB 1 1
91 1 2 2 2 12 HIS H b 13 . HN 1 1
92 1 1 2 2 12 HIS HB3 b 13 . HB1 1 1
92 1 2 2 2 13 GLN H b 14 . HN 1 1
93 1 1 2 2 12 HIS HB2 b 13 . HB2 1 1
93 1 2 2 2 13 GLN H b 14 . HN 1 1
94 1 1 2 2 13 GLN QB b 14 . HB* 1 1
94 1 2 2 2 14 GLN H b 15 . HN 1 1
95 1 1 2 2 15 ASP HB3 b 16 . HB1 1 1
95 1 2 2 2 16 ILE H b 17 . HN 1 1
96 1 1 2 2 15 ASP HB2 b 16 . HB2 1 1
96 1 2 2 2 16 ILE H b 17 . HN 1 1
97 1 1 2 2 16 ILE HB b 17 . HB 1 1
97 1 2 2 2 17 ASP H b 18 . HN 1 1
98 1 1 2 2 17 ASP QB b 18 . HB* 1 1
98 1 2 2 2 18 ASP H b 19 . HN 1 1
99 1 1 2 2 18 ASP HB3 b 19 . HB1 1 1
99 1 2 2 2 19 LEU H b 20 . HN 1 1
100 1 1 2 2 18 ASP HB2 b 19 . HB2 1 1
100 1 2 2 2 19 LEU H b 20 . HN 1 1
101 1 1 2 2 19 LEU HB3 b 20 . HB1 1 1
101 1 2 2 2 20 LYS H b 21 . HN 1 1
102 1 1 2 2 19 LEU HB2 b 20 . HB2 1 1
102 1 2 2 2 20 LYS H b 21 . HN 1 1
103 1 1 2 2 20 LYS QB b 21 . HB* 1 1
103 1 2 2 2 21 ARG H b 22 . HN 1 1
104 1 1 2 2 21 ARG QB b 22 . HB* 1 1
104 1 2 2 2 22 GLN H b 23 . HN 1 1
105 1 1 2 2 22 GLN QB b 23 . HB* 1 1
105 1 2 2 2 23 ASN H b 24 . HN 1 1
106 1 1 2 2 23 ASN HB3 b 24 . HB1 1 1
106 1 2 2 2 24 ALA H b 25 . HN 1 1
107 1 1 2 2 23 ASN HB2 b 24 . HB2 1 1
107 1 2 2 2 24 ALA H b 25 . HN 1 1
108 1 1 2 2 24 ALA MB b 25 . HB* 1 1
108 1 2 2 2 25 LEU H b 26 . HN 1 1
109 1 1 2 2 25 LEU QB b 26 . HB* 1 1
109 1 2 2 2 26 LEU H b 27 . HN 1 1
110 1 1 2 2 26 LEU HB3 b 27 . HB1 1 1
110 1 2 2 2 27 GLU H b 28 . HN 1 1
111 1 1 2 2 26 LEU HB2 b 27 . HB2 1 1
111 1 2 2 2 27 GLU H b 28 . HN 1 1
112 1 1 2 2 27 GLU HB3 b 28 . HB1 1 1
112 1 2 2 2 28 GLN H b 29 . HN 1 1
113 1 1 2 2 27 GLU HB2 b 28 . HB2 1 1
113 1 2 2 2 28 GLN H b 29 . HN 1 1
114 1 1 2 2 29 GLN QB b 30 . HB* 1 1
114 1 2 2 2 30 VAL H b 31 . HN 1 1
115 1 1 2 2 30 VAL HB b 31 . HB 1 1
115 1 2 2 2 31 ARG H b 32 . HN 1 1
116 1 1 2 2 32 ALA MB b 33 . HB* 1 1
116 1 2 2 2 33 LEU H b 34 . HN 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 . . . . . 3.5 1.8 4.0 1 1
2 1 . . . . . 3.5 1.8 4.5 1 1
3 1 . . . . . 3.5 1.8 4.0 1 1
4 1 . . . . . 3.5 1.8 4.0 1 1
5 1 . . . . . 3.5 1.8 4.0 1 1
6 1 . . . . . 3.5 1.8 4.0 1 1
7 1 . . . . . 3.5 1.8 4.0 1 1
8 1 . . . . . 3.5 1.8 4.0 1 1
9 1 . . . . . 3.5 1.8 4.0 1 1
10 1 . . . . . 3.5 1.8 4.0 1 1
11 1 . . . . . 3.5 1.8 4.0 1 1
12 1 . . . . . 3.0 1.8 3.5 1 1
13 1 . . . . . 2.5 1.8 3.0 1 1
14 1 . . . . . 2.5 1.8 3.0 1 1
15 1 . . . . . 3.0 1.8 3.5 1 1
16 1 . . . . . 3.0 1.8 3.5 1 1
17 1 . . . . . 3.0 1.8 3.5 1 1
18 1 . . . . . 3.0 1.8 3.5 1 1
19 1 . . . . . 2.5 1.8 3.0 1 1
20 1 . . . . . 2.5 1.8 3.0 1 1
21 1 . . . . . 2.5 1.8 3.0 1 1
22 1 . . . . . 2.5 1.8 3.0 1 1
23 1 . . . . . 2.5 1.8 3.0 1 1
24 1 . . . . . 2.5 1.8 3.0 1 1
25 1 . . . . . 2.5 1.8 3.0 1 1
26 1 . . . . . 2.5 1.8 3.0 1 1
27 1 . . . . . 3.5 1.8 4.0 1 1
28 1 . . . . . 3.5 1.8 4.0 1 1
29 1 . . . . . 3.5 2.3 4.5 1 1
30 1 . . . . . 3.5 2.3 4.5 1 1
31 1 . . . . . 4.0 1.8 4.5 1 1
32 1 . . . . . 3.5 1.8 4.0 1 1
33 1 . . . . . 3.5 1.8 4.0 1 1
34 1 . . . . . 3.5 1.8 4.5 1 1
35 1 . . . . . 4.0 1.8 5.0 1 1
36 1 . . . . . 4.0 1.8 5.0 1 1
37 1 . . . . . 4.0 1.8 5.0 1 1
38 1 . . . . . 4.0 1.8 5.0 1 1
39 1 . . . . . 4.0 1.8 4.5 1 1
40 1 . . . . . 3.5 1.8 4.0 1 1
41 1 . . . . . 3.5 1.8 4.5 1 1
42 1 . . . . . 3.5 1.8 4.5 1 1
43 1 . . . . . 3.5 1.8 4.5 1 1
44 1 . . . . . 3.5 1.8 4.5 1 1
45 1 . . . . . 4.0 1.8 4.5 1 1
46 1 . . . . . 3.5 1.8 4.0 1 1
47 1 . . . . . 2.8 1.8 3.8 1 1
48 1 . . . . . 3.0 1.3 3.5 1 1
49 1 . . . . . 3.5 1.8 4.5 1 1
50 1 . . . . . 3.5 1.8 4.0 1 1
51 1 . . . . . 3.5 1.8 4.0 1 1
52 1 . . . . . 3.5 1.8 4.0 1 1
53 1 . . . . . 3.5 1.8 3.5 1 1
54 1 . . . . . 3.5 1.8 4.0 1 1
55 1 . . . . . 3.5 1.8 4.0 1 1
56 1 . . . . . 3.5 1.8 4.0 1 1
57 1 . . . . . 3.5 1.8 4.0 1 1
58 1 . . . . . 3.5 1.8 4.0 1 1
59 1 . . . . . 3.5 1.8 4.0 1 1
60 1 . . . . . 3.5 1.8 4.0 1 1
61 1 . . . . . 3.5 1.8 4.0 1 1
62 1 . . . . . 3.5 1.8 4.0 1 1
63 1 . . . . . 3.5 1.8 4.0 1 1
64 1 . . . . . 3.5 1.8 4.0 1 1
65 1 . . . . . 3.5 1.8 4.0 1 1
66 1 . . . . . 3.5 1.8 4.0 1 1
67 1 . . . . . 2.5 1.8 3.0 1 1
68 1 . . . . . 3.0 1.8 3.5 1 1
69 1 . . . . . 3.0 1.8 3.5 1 1
70 1 . . . . . 3.0 1.8 3.5 1 1
71 1 . . . . . 3.0 1.8 3.5 1 1
72 1 . . . . . 2.5 1.8 3.0 1 1
73 1 . . . . . 2.5 1.8 3.0 1 1
74 1 . . . . . 3.0 1.8 3.5 1 1
75 1 . . . . . 2.5 1.8 3.0 1 1
76 1 . . . . . 2.5 1.8 3.0 1 1
77 1 . . . . . 2.5 1.8 3.0 1 1
78 1 . . . . . 2.5 1.8 3.0 1 1
79 1 . . . . . 2.5 1.8 3.0 1 1
80 1 . . . . . 2.5 1.8 3.0 1 1
81 1 . . . . . 2.5 1.8 3.0 1 1
82 1 . . . . . 2.5 1.8 3.0 1 1
83 1 . . . . . 2.5 1.8 3.0 1 1
84 1 . . . . . 2.5 1.8 3.0 1 1
85 1 . . . . . 2.5 1.8 3.0 1 1
86 1 . . . . . 2.5 1.8 3.0 1 1
87 1 . . . . . 2.5 1.8 3.0 1 1
88 1 . . . . . 3.5 1.8 4.0 1 1
89 1 . . . . . 4.0 1.8 4.5 1 1
90 1 . . . . . 4.0 1.8 4.5 1 1
91 1 . . . . . 3.5 1.8 4.0 1 1
92 1 . . . . . 4.0 1.8 4.5 1 1
93 1 . . . . . 4.0 1.8 4.5 1 1
94 1 . . . . . 3.5 1.3 5.0 1 1
95 1 . . . . . 3.5 1.8 4.0 1 1
96 1 . . . . . 3.5 1.8 4.0 1 1
97 1 . . . . . 3.5 1.8 4.0 1 1
98 1 . . . . . 4.0 1.8 5.5 1 1
99 1 . . . . . 3.0 1.8 3.5 1 1
100 1 . . . . . 4.0 1.8 4.5 1 1
101 1 . . . . . 3.5 1.8 4.0 1 1
102 1 . . . . . 3.5 1.8 4.0 1 1
103 1 . . . . . 3.5 1.8 5.0 1 1
104 1 . . . . . 3.5 1.8 4.0 1 1
105 1 . . . . . 3.5 1.8 5.0 1 1
106 1 . . . . . 3.5 1.8 4.0 1 1
107 1 . . . . . 3.5 1.8 4.0 1 1
108 1 . . . . . 3.5 1.8 4.5 1 1
109 1 . . . . . 3.5 2.5 4.5 1 1
110 1 . . . . . 3.5 1.8 4.0 1 1
111 1 . . . . . 3.0 1.8 3.5 1 1
112 1 . . . . . 3.5 1.8 4.0 1 1
113 1 . . . . . 3.5 1.8 4.0 1 1
114 1 . . . . . 3.5 1.8 5.0 1 1
115 1 . . . . . 3.5 1.8 4.0 1 1
116 1 . . . . . 3.5 1.8 4.5 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 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
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
106 1 . . . 1 2
107 1 . . . 1 2
108 1 . . . 1 2
109 1 . . . 1 2
110 1 . . . 1 2
111 1 . . . 1 2
112 1 . . . 1 2
113 1 . . . 1 2
114 1 . . . 1 2
115 1 . . . 1 2
116 1 . . . 1 2
117 1 . . . 1 2
118 1 . . . 1 2
119 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 GLN HA a 7 . HA 1 2
1 1 2 1 1 9 GLU H a 10 . HN 1 2
2 1 1 1 1 7 ALA HA a 8 . HA 1 2
2 1 2 1 1 10 GLN H a 11 . HN 1 2
3 1 1 1 1 9 GLU HA a 10 . HA 1 2
3 1 2 1 1 12 LEU H a 13 . HN 1 2
4 1 1 1 1 11 LYS HA a 12 . HA 1 2
4 1 2 1 1 14 SER H a 15 . HN 1 2
5 1 1 1 1 13 ILE HA a 14 . HA 1 2
5 1 2 1 1 16 GLU H a 17 . HN 1 2
6 1 1 1 1 14 SER HA a 15 . HA 1 2
6 1 2 1 1 17 ASP H a 18 . HN 1 2
7 1 1 1 1 17 ASP HA a 18 . HA 1 2
7 1 2 1 1 20 ARG H a 21 . HN 1 2
8 1 1 1 1 19 LEU HA a 20 . HA 1 2
8 1 2 1 1 22 ARG H a 23 . HN 1 2
9 1 1 1 1 23 ARG HA a 24 . HA 1 2
9 1 2 1 1 26 LEU H a 27 . HN 1 2
10 1 1 1 1 24 GLU HA a 25 . HA 1 2
10 1 2 1 1 27 LYS H a 28 . HN 1 2
11 1 1 1 1 25 GLN HA a 26 . HA 1 2
11 1 2 1 1 28 HIS H a 29 . HN 1 2
12 1 1 1 1 28 HIS HA a 29 . HA 1 2
12 1 2 1 1 31 GLU H a 32 . HN 1 2
13 1 1 1 1 5 VAL HA a 6 . HA 1 2
13 1 2 1 1 9 GLU H a 10 . HN 1 2
14 1 1 1 1 9 GLU HA a 10 . HA 1 2
14 1 2 1 1 13 ILE H a 14 . HN 1 2
15 1 1 1 1 12 LEU HA a 13 . HA 1 2
15 1 2 1 1 16 GLU H a 17 . HN 1 2
16 1 1 1 1 13 ILE HA a 14 . HA 1 2
16 1 2 1 1 17 ASP H a 18 . HN 1 2
17 1 1 1 1 28 HIS HA a 29 . HA 1 2
17 1 2 1 1 32 GLN H a 33 . HN 1 2
18 1 1 1 1 5 VAL HA a 6 . HA 1 2
18 1 2 1 1 8 GLU QB a 9 . HB* 1 2
19 1 1 1 1 6 GLN HA a 7 . HA 1 2
19 1 2 1 1 9 GLU HB3 a 10 . HB1 1 2
20 1 1 1 1 6 GLN HA a 7 . HA 1 2
20 1 2 1 1 9 GLU HB2 a 10 . HB2 1 2
21 1 1 1 1 10 GLN HA a 11 . HA 1 2
21 1 2 1 1 13 ILE HB a 14 . HB 1 2
22 1 1 1 1 11 LYS HA a 12 . HA 1 2
22 1 2 1 1 14 SER QB a 15 . HB 1 2
23 1 1 1 1 13 ILE HA a 14 . HA 1 2
23 1 2 1 1 16 GLU QB a 17 . HB* 1 2
24 1 1 1 1 14 SER HA a 15 . HA 1 2
24 1 2 1 1 17 ASP HB3 a 18 . HB1 1 2
25 1 1 1 1 14 SER HA a 15 . HA 1 2
25 1 2 1 1 17 ASP HB2 a 18 . HB2 1 2
26 1 1 1 1 17 ASP HA a 18 . HA 1 2
26 1 2 1 1 20 ARG HB3 a 21 . HB1 1 2
27 1 1 1 1 17 ASP HA a 18 . HA 1 2
27 1 2 1 1 20 ARG HB2 a 21 . HB2 1 2
28 1 1 1 1 22 ARG HA a 23 . HA 1 2
28 1 2 1 1 25 GLN QB a 26 . HB* 1 2
29 1 1 1 1 25 GLN HA a 26 . HA 1 2
29 1 2 1 1 28 HIS QB a 29 . HB* 1 2
30 1 1 1 1 28 HIS HA a 29 . HA 1 2
30 1 2 1 1 31 GLU QB a 32 . HB* 1 2
31 1 1 1 1 17 ASP HA a 18 . HA 1 2
31 1 2 1 1 20 ARG QD a 21 . HD* 1 2
32 1 1 1 1 17 ASP HA a 18 . HA 1 2
32 1 2 1 1 20 ARG HG3 a 21 . HG1 1 2
33 1 1 1 1 17 ASP HA a 18 . HA 1 2
33 1 2 1 1 20 ARG HG2 a 21 . HG2 1 2
34 1 1 1 1 17 ASP HA a 18 . HA 1 2
34 1 2 1 1 20 ARG HE a 21 . HE 1 2
35 1 1 1 1 10 GLN HA a 11 . HA 1 2
35 1 2 1 1 13 ILE MD a 14 . HD1* 1 2
36 1 1 1 1 13 ILE MG a 14 . HG2* 1 2
36 1 2 1 1 14 SER HA a 15 . HA 1 2
37 1 1 1 1 13 ILE MG a 14 . HG2* 1 2
37 1 2 1 1 14 SER H a 15 . HN 1 2
38 1 1 1 1 13 ILE QG a 14 . HG1* 1 2
38 1 2 1 1 14 SER H a 15 . HN 1 2
39 1 1 1 1 13 ILE MD a 14 . HD1* 1 2
39 1 2 1 1 14 SER H a 15 . HN 1 2
40 1 1 1 1 9 GLU QG a 10 . HG* 1 2
40 1 2 1 1 13 ILE MD a 14 . HD1* 1 2
41 1 1 1 1 9 GLU QB a 10 . HB* 1 2
41 1 2 1 1 13 ILE MD a 14 . HD1* 1 2
42 1 1 1 1 22 ARG HE a 23 . HE 1 2
42 1 2 1 1 26 LEU MD1 a 27 . HD1* 1 2
43 1 1 1 1 22 ARG HE a 23 . HE 1 2
43 1 2 1 1 26 LEU MD2 a 27 . HD2* 1 2
44 1 1 1 1 22 ARG QD a 23 . HD* 1 2
44 1 2 1 1 26 LEU MD1 a 27 . HD1* 1 2
45 1 1 1 1 25 GLN HA a 26 . HA 1 2
45 1 2 1 1 28 HIS HD2 a 29 . HD2 1 2
46 1 1 1 1 25 GLN QG a 26 . HG* 1 2
46 1 2 1 1 28 HIS HD2 a 29 . HD2 1 2
47 1 1 1 1 25 GLN QB a 26 . HB* 1 2
47 1 2 1 1 28 HIS HD2 a 29 . HD2 1 2
48 1 1 2 2 6 ARG HA b 7 . HA 1 2
48 1 2 2 2 9 ASN H b 10 . HN 1 2
49 1 1 2 2 7 ARG HA b 8 . HA 1 2
49 1 2 2 2 10 ASP H b 11 . HN 1 2
50 1 1 2 2 9 ASN HA b 10 . HA 1 2
50 1 2 2 2 12 HIS H b 13 . HN 1 2
51 1 1 2 2 10 ASP HA b 11 . HA 1 2
51 1 2 2 2 13 GLN H b 14 . HN 1 2
52 1 1 2 2 12 HIS HA b 13 . HA 1 2
52 1 2 2 2 15 ASP H b 16 . HN 1 2
53 1 1 2 2 13 GLN HA b 14 . HA 1 2
53 1 2 2 2 16 ILE H b 17 . HN 1 2
54 1 1 2 2 14 GLN HA b 15 . HA 1 2
54 1 2 2 2 17 ASP H b 18 . HN 1 2
55 1 1 2 2 15 ASP HA b 16 . HA 1 2
55 1 2 2 2 18 ASP H b 19 . HN 1 2
56 1 1 2 2 16 ILE HA b 17 . HA 1 2
56 1 2 2 2 19 LEU H b 20 . HN 1 2
57 1 1 2 2 17 ASP HA b 18 . HA 1 2
57 1 2 2 2 20 LYS H b 21 . HN 1 2
58 1 1 2 2 18 ASP HA b 19 . HA 1 2
58 1 2 2 2 21 ARG H b 22 . HN 1 2
59 1 1 2 2 19 LEU HA b 20 . HA 1 2
59 1 2 2 2 22 GLN H b 23 . HN 1 2
60 1 1 2 2 20 LYS HA b 21 . HA 1 2
60 1 2 2 2 23 ASN H b 24 . HN 1 2
61 1 1 2 2 21 ARG HA b 22 . HA 1 2
61 1 2 2 2 24 ALA H b 25 . HN 1 2
62 1 1 2 2 22 GLN HA b 23 . HA 1 2
62 1 2 2 2 25 LEU H b 26 . HN 1 2
63 1 1 2 2 23 ASN HA b 24 . HA 1 2
63 1 2 2 2 26 LEU H b 27 . HN 1 2
64 1 1 2 2 24 ALA HA b 25 . HA 1 2
64 1 2 2 2 27 GLU H b 28 . HN 1 2
65 1 1 2 2 25 LEU HA b 26 . HA 1 2
65 1 2 2 2 28 GLN H b 29 . HN 1 2
66 1 1 2 2 26 LEU HA b 27 . HA 1 2
66 1 2 2 2 29 GLN H b 30 . HN 1 2
67 1 1 2 2 27 GLU HA b 28 . HA 1 2
67 1 2 2 2 30 VAL H b 31 . HN 1 2
68 1 1 2 2 29 GLN HA b 30 . HA 1 2
68 1 2 2 2 32 ALA H b 33 . HN 1 2
69 1 1 2 2 30 VAL HA b 31 . HA 1 2
69 1 2 2 2 33 LEU H b 34 . HN 1 2
70 1 1 2 2 9 ASN HA b 10 . HA 1 2
70 1 2 2 2 13 GLN H b 14 . HN 1 2
71 1 1 2 2 12 HIS HA b 13 . HA 1 2
71 1 2 2 2 16 ILE H b 17 . HN 1 2
72 1 1 2 2 13 GLN HA b 14 . HA 1 2
72 1 2 2 2 17 ASP H b 18 . HN 1 2
73 1 1 2 2 16 ILE HA b 17 . HA 1 2
73 1 2 2 2 20 LYS H b 21 . HN 1 2
74 1 1 2 2 17 ASP HA b 18 . HA 1 2
74 1 2 2 2 21 ARG H b 22 . HN 1 2
75 1 1 2 2 18 ASP HA b 19 . HA 1 2
75 1 2 2 2 22 GLN H b 23 . HN 1 2
76 1 1 2 2 19 LEU HA b 20 . HA 1 2
76 1 2 2 2 23 ASN H b 24 . HN 1 2
77 1 1 2 2 20 LYS HA b 21 . HA 1 2
77 1 2 2 2 24 ALA H b 25 . HN 1 2
78 1 1 2 2 23 ASN HA b 24 . HA 1 2
78 1 2 2 2 27 GLU H b 28 . HN 1 2
79 1 1 2 2 25 LEU HA b 26 . HA 1 2
79 1 2 2 2 29 GLN H b 30 . HN 1 2
80 1 1 2 2 27 GLU HA b 28 . HA 1 2
80 1 2 2 2 31 ARG H b 32 . HN 1 2
81 1 1 2 2 6 ARG HA b 7 . HA 1 2
81 1 2 2 2 9 ASN HB3 b 10 . HB1 1 2
82 1 1 2 2 6 ARG HA b 7 . HA 1 2
82 1 2 2 2 9 ASN HB2 b 10 . HB2 1 2
83 1 1 2 2 7 ARG HA b 8 . HA 1 2
83 1 2 2 2 10 ASP HB3 b 11 . HB1 1 2
84 1 1 2 2 7 ARG HA b 8 . HA 1 2
84 1 2 2 2 10 ASP HB2 b 11 . HB2 1 2
85 1 1 2 2 9 ASN HA b 10 . HA 1 2
85 1 2 2 2 12 HIS HB3 b 13 . HB1 1 2
86 1 1 2 2 9 ASN HA b 10 . HA 1 2
86 1 2 2 2 12 HIS HB2 b 13 . HB2 1 2
87 1 1 2 2 10 ASP HA b 11 . HA 1 2
87 1 2 2 2 13 GLN QB b 14 . HB* 1 2
88 1 1 2 2 12 HIS HA b 13 . HA 1 2
88 1 2 2 2 15 ASP HB3 b 16 . HB1 1 2
89 1 1 2 2 12 HIS HA b 13 . HA 1 2
89 1 2 2 2 15 ASP HB2 b 16 . HB2 1 2
90 1 1 2 2 14 GLN HA b 15 . HA 1 2
90 1 2 2 2 17 ASP HB3 b 18 . HB1 1 2
91 1 1 2 2 14 GLN HA b 15 . HA 1 2
91 1 2 2 2 17 ASP HB2 b 18 . HB2 1 2
92 1 1 2 2 15 ASP HA b 16 . HA 1 2
92 1 2 2 2 18 ASP QB b 19 . HB* 1 2
93 1 1 2 2 16 ILE HA b 17 . HA 1 2
93 1 2 2 2 19 LEU HB3 b 20 . HB1 1 2
94 1 1 2 2 16 ILE HA b 17 . HA 1 2
94 1 2 2 2 19 LEU HB2 b 20 . HB2 1 2
95 1 1 2 2 17 ASP HA b 18 . HA 1 2
95 1 2 2 2 20 LYS HB3 b 21 . HB1 1 2
96 1 1 2 2 17 ASP HA b 18 . HA 1 2
96 1 2 2 2 20 LYS HB2 b 21 . HB2 1 2
97 1 1 2 2 18 ASP HA b 19 . HA 1 2
97 1 2 2 2 21 ARG HB3 b 22 . HB1 1 2
98 1 1 2 2 18 ASP HA b 19 . HA 1 2
98 1 2 2 2 21 ARG HB2 b 22 . HB2 1 2
99 1 1 2 2 20 LYS HA b 21 . HA 1 2
99 1 2 2 2 23 ASN HB3 b 24 . HB1 1 2
100 1 1 2 2 20 LYS HA b 21 . HA 1 2
100 1 2 2 2 23 ASN HB2 b 24 . HB2 1 2
101 1 1 2 2 23 ASN HA b 24 . HA 1 2
101 1 2 2 2 26 LEU HB3 b 27 . HB1 1 2
102 1 1 2 2 23 ASN HA b 24 . HA 1 2
102 1 2 2 2 26 LEU HB2 b 27 . HB2 1 2
103 1 1 2 2 27 GLU HA b 28 . HA 1 2
103 1 2 2 2 30 VAL HB b 31 . HB 1 2
104 1 1 2 2 30 VAL HA b 31 . HA 1 2
104 1 2 2 2 33 LEU HB3 b 34 . HB1 1 2
105 1 1 2 2 30 VAL HA b 31 . HA 1 2
105 1 2 2 2 33 LEU HB2 b 34 . HB2 1 2
106 1 1 2 2 9 ASN HA b 10 . HA 1 2
106 1 2 2 2 12 HIS HD2 b 13 . HD2 1 2
107 1 1 2 2 8 LYS HA b 9 . HA 1 2
107 1 2 2 2 11 THR MG b 12 . HG* 1 2
108 1 1 2 2 9 ASN QB b 10 . HB* 1 2
108 1 2 2 2 12 HIS HD2 b 13 . HD2 1 2
109 1 1 2 2 16 ILE HA b 17 . HA 1 2
109 1 2 2 2 19 LEU QD b 20 . HD1* 1 2
110 1 1 2 2 16 ILE HA b 17 . HA 1 2
110 1 2 2 2 19 LEU HG b 20 . HG 1 2
111 1 1 2 2 16 ILE MG b 17 . HG2* 1 2
111 1 2 2 2 17 ASP HA b 18 . HA 1 2
112 1 1 2 2 17 ASP HA b 18 . HA 1 2
112 1 2 2 2 20 LYS QG b 21 . HG* 1 2
113 1 1 2 2 22 GLN HE22 b 23 . HE22 1 2
113 1 2 2 2 26 LEU MD2 b 27 . HD2* 1 2
114 1 1 2 2 23 ASN HA b 24 . HA 1 2
114 1 2 2 2 26 LEU MD1 b 27 . HD1* 1 2
115 1 1 2 2 27 GLU QG b 28 . HG* 1 2
115 1 2 2 2 28 GLN H b 29 . HN 1 2
116 1 1 2 2 27 GLU HA b 28 . HA 1 2
116 1 2 2 2 30 VAL MG1 b 31 . HG1* 1 2
117 1 1 2 2 30 VAL MG1 b 31 . HG1* 1 2
117 1 2 2 2 31 ARG H b 32 . HN 1 2
118 1 1 2 2 30 VAL MG2 b 31 . HG2* 1 2
118 1 2 2 2 31 ARG H b 32 . HN 1 2
119 1 1 2 2 30 VAL HA b 31 . HA 1 2
119 1 2 2 2 33 LEU QD b 34 . HD* 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 . . . . . 4.0 1.8 4.5 1 2
2 1 . . . . . 4.0 1.8 4.5 1 2
3 1 . . . . . 4.0 1.8 4.5 1 2
4 1 . . . . . 4.0 1.8 4.5 1 2
5 1 . . . . . 4.0 1.8 4.5 1 2
6 1 . . . . . 4.0 1.8 4.5 1 2
7 1 . . . . . 4.0 1.8 4.5 1 2
8 1 . . . . . 4.0 1.8 4.5 1 2
9 1 . . . . . 4.0 1.8 4.5 1 2
10 1 . . . . . 4.0 1.8 4.5 1 2
11 1 . . . . . 4.0 1.8 4.5 1 2
12 1 . . . . . 4.0 1.8 4.5 1 2
13 1 . . . . . 4.0 1.8 4.5 1 2
14 1 . . . . . 4.0 1.8 4.5 1 2
15 1 . . . . . 4.0 1.8 4.5 1 2
16 1 . . . . . 4.0 1.8 4.5 1 2
17 1 . . . . . 4.0 1.8 4.5 1 2
18 1 . . . . . 4.0 1.8 5.5 1 2
19 1 . . . . . 4.0 1.8 4.5 1 2
20 1 . . . . . 4.0 1.8 4.5 1 2
21 1 . . . . . 4.0 3.0 4.5 1 2
22 1 . . . . . 2.8 1.8 3.3 1 2
23 1 . . . . . 4.0 1.8 5.0 1 2
24 1 . . . . . 2.8 1.8 3.3 1 2
25 1 . . . . . 2.8 1.8 3.3 1 2
26 1 . . . . . 4.0 1.8 4.5 1 2
27 1 . . . . . 4.0 1.8 4.5 1 2
28 1 . . . . . 4.0 1.8 5.0 1 2
29 1 . . . . . 2.8 1.8 3.8 1 2
30 1 . . . . . 4.0 1.8 5.0 1 2
31 1 . . . . . 2.8 1.8 4.3 1 2
32 1 . . . . . 4.0 1.8 4.5 1 2
33 1 . . . . . 4.0 1.8 4.5 1 2
34 1 . . . . . 4.0 1.8 4.5 1 2
35 1 . . . . . 3.5 1.8 4.5 1 2
36 1 . . . . . 3.5 1.8 4.5 1 2
37 1 . . . . . 3.5 1.8 4.5 1 2
38 1 . . . . . 3.5 1.8 4.5 1 2
39 1 . . . . . 4.5 1.8 5.5 1 2
40 1 . . . . . 3.5 1.8 5.0 1 2
41 1 . . . . . 4.5 1.8 6.0 1 2
42 1 . . . . . 4.0 1.8 5.0 1 2
43 1 . . . . . 4.0 1.8 5.0 1 2
44 1 . . . . . 4.0 1.8 5.5 1 2
45 1 . . . . . 3.5 1.8 4.0 1 2
46 1 . . . . . 4.5 1.8 5.0 1 2
47 1 . . . . . 4.5 1.8 5.0 1 2
48 1 . . . . . 4.0 1.8 4.5 1 2
49 1 . . . . . 4.0 1.8 4.5 1 2
50 1 . . . . . 4.0 1.8 4.5 1 2
51 1 . . . . . 4.0 1.8 4.5 1 2
52 1 . . . . . 4.0 1.8 4.5 1 2
53 1 . . . . . 4.0 1.8 4.5 1 2
54 1 . . . . . 4.0 1.8 4.5 1 2
55 1 . . . . . 4.0 1.8 4.5 1 2
56 1 . . . . . 4.0 1.8 4.5 1 2
57 1 . . . . . 4.0 1.8 4.5 1 2
58 1 . . . . . 4.0 1.8 4.5 1 2
59 1 . . . . . 4.0 1.8 4.5 1 2
60 1 . . . . . 4.0 1.8 4.5 1 2
61 1 . . . . . 4.0 1.8 4.5 1 2
62 1 . . . . . 4.0 1.8 4.5 1 2
63 1 . . . . . 4.0 1.8 4.5 1 2
64 1 . . . . . 4.0 1.8 4.5 1 2
65 1 . . . . . 4.0 1.8 4.5 1 2
66 1 . . . . . 4.0 1.8 4.5 1 2
67 1 . . . . . 4.0 1.8 4.5 1 2
68 1 . . . . . 4.0 1.8 4.5 1 2
69 1 . . . . . 4.0 1.8 4.5 1 2
70 1 . . . . . 4.0 1.8 4.5 1 2
71 1 . . . . . 4.0 1.8 4.5 1 2
72 1 . . . . . 4.0 1.8 4.5 1 2
73 1 . . . . . 4.0 1.8 4.5 1 2
74 1 . . . . . 4.0 1.8 4.5 1 2
75 1 . . . . . 4.0 1.8 4.5 1 2
76 1 . . . . . 4.0 1.8 4.5 1 2
77 1 . . . . . 4.0 1.8 4.5 1 2
78 1 . . . . . 4.0 1.8 4.5 1 2
79 1 . . . . . 4.0 1.8 4.5 1 2
80 1 . . . . . 4.0 1.8 4.5 1 2
81 1 . . . . . 4.0 1.8 4.5 1 2
82 1 . . . . . 4.0 1.8 4.5 1 2
83 1 . . . . . 4.0 1.8 4.5 1 2
84 1 . . . . . 4.0 1.8 4.5 1 2
85 1 . . . . . 4.0 1.8 4.5 1 2
86 1 . . . . . 4.0 1.8 4.5 1 2
87 1 . . . . . 4.0 1.8 5.5 1 2
88 1 . . . . . 4.0 1.8 4.5 1 2
89 1 . . . . . 4.0 1.8 4.5 1 2
90 1 . . . . . 4.0 1.8 4.5 1 2
91 1 . . . . . 4.0 1.8 4.5 1 2
92 1 . . . . . 4.0 1.8 5.0 1 2
93 1 . . . . . 4.0 1.8 4.5 1 2
94 1 . . . . . 2.8 1.8 3.3 1 2
95 1 . . . . . 4.0 1.8 4.5 1 2
96 1 . . . . . 4.0 1.8 4.5 1 2
97 1 . . . . . 4.0 1.8 4.5 1 2
98 1 . . . . . 4.0 1.8 4.5 1 2
99 1 . . . . . 4.0 1.8 4.5 1 2
100 1 . . . . . 2.8 1.8 3.3 1 2
101 1 . . . . . 4.0 1.8 4.5 1 2
102 1 . . . . . 2.8 1.8 3.3 1 2
103 1 . . . . . 2.8 1.8 3.3 1 2
104 1 . . . . . 4.0 1.8 4.5 1 2
105 1 . . . . . 4.0 1.8 4.5 1 2
106 1 . . . . . 2.5 1.8 3.0 1 2
107 1 . . . . . 4.0 1.8 5.0 1 2
108 1 . . . . . 4.0 1.8 5.0 1 2
109 1 . . . . . 3.0 1.8 3.5 1 2
110 1 . . . . . 3.5 1.8 4.0 1 2
111 1 . . . . . 3.0 1.8 3.5 1 2
112 1 . . . . . 4.0 1.8 5.0 1 2
113 1 . . . . . 4.0 1.8 5.0 1 2
114 1 . . . . . 3.5 1.8 4.5 1 2
115 1 . . . . . 3.5 1.8 4.0 1 2
116 1 . . . . . 3.5 1.8 4.5 1 2
117 1 . . . . . 3.5 1.8 4.5 1 2
118 1 . . . . . 4.5 1.8 5.5 1 2
119 1 . . . . . 4.0 1.8 6.0 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
27 1 . . . 1 3
28 1 . . . 1 3
29 1 . . . 1 3
30 1 . . . 1 3
31 1 . . . 1 3
32 1 . . . 1 3
33 1 . . . 1 3
34 1 . . . 1 3
35 1 . . . 1 3
36 1 . . . 1 3
37 1 . . . 1 3
38 1 . . . 1 3
39 1 . . . 1 3
40 1 . . . 1 3
41 1 . . . 1 3
42 1 . . . 1 3
43 1 . . . 1 3
44 1 . . . 1 3
45 1 . . . 1 3
46 1 . . . 1 3
47 1 . . . 1 3
48 1 . . . 1 3
49 1 . . . 1 3
50 1 . . . 1 3
51 1 . . . 1 3
52 1 . . . 1 3
53 1 . . . 1 3
54 1 . . . 1 3
55 1 . . . 1 3
56 1 . . . 1 3
57 1 . . . 1 3
58 1 . . . 1 3
59 1 . . . 1 3
60 1 . . . 1 3
61 1 . . . 1 3
62 1 . . . 1 3
63 1 . . . 1 3
64 1 . . . 1 3
65 1 . . . 1 3
66 1 . . . 1 3
67 1 . . . 1 3
68 1 . . . 1 3
69 1 . . . 1 3
70 1 . . . 1 3
71 1 . . . 1 3
72 1 . . . 1 3
73 1 . . . 1 3
74 1 . . . 1 3
75 1 . . . 1 3
76 1 . . . 1 3
77 1 . . . 1 3
78 1 . . . 1 3
79 1 . . . 1 3
80 1 . . . 1 3
81 1 . . . 1 3
82 1 . . . 1 3
83 1 . . . 1 3
84 1 . . . 1 3
85 1 . . . 1 3
86 1 . . . 1 3
87 1 . . . 1 3
88 1 . . . 1 3
89 1 . . . 1 3
90 1 . . . 1 3
91 1 . . . 1 3
92 1 . . . 1 3
93 1 . . . 1 3
94 1 . . . 1 3
95 1 . . . 1 3
96 1 . . . 1 3
97 1 . . . 1 3
98 1 . . . 1 3
99 1 . . . 1 3
100 1 . . . 1 3
101 1 . . . 1 3
102 1 . . . 1 3
103 1 . . . 1 3
104 1 . . . 1 3
105 1 . . . 1 3
106 1 . . . 1 3
107 1 . . . 1 3
108 1 . . . 1 3
109 1 . . . 1 3
110 1 . . . 1 3
111 1 . . . 1 3
112 1 . . . 1 3
113 1 . . . 1 3
114 1 . . . 1 3
115 1 . . . 1 3
116 1 . . . 1 3
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 5 VAL H a 6 . HN 1 3
1 1 2 1 1 5 VAL HB a 6 . HB 1 3
2 1 1 1 1 5 VAL H a 6 . HN 1 3
2 1 2 1 1 5 VAL HA a 6 . HA 1 3
3 1 1 1 1 5 VAL HA a 6 . HA 1 3
3 1 2 1 1 5 VAL MG1 a 6 . HG1* 1 3
4 1 1 1 1 5 VAL HA a 6 . HA 1 3
4 1 2 1 1 5 VAL MG2 a 6 . HG2* 1 3
5 1 1 1 1 5 VAL HA a 6 . HA 1 3
5 1 2 1 1 5 VAL HB a 6 . HB 1 3
6 1 1 1 1 6 GLN H a 7 . HN 1 3
6 1 2 1 1 6 GLN HA a 7 . HA 1 3
7 1 1 1 1 7 ALA H a 8 . HN 1 3
7 1 2 1 1 7 ALA HA a 8 . HA 1 3
8 1 1 1 1 9 GLU H a 10 . HN 1 3
8 1 2 1 1 9 GLU HA a 10 . HA 1 3
9 1 1 1 1 12 LEU H a 13 . HN 1 3
9 1 2 1 1 12 LEU HB3 a 13 . HB1 1 3
10 1 1 1 1 12 LEU H a 13 . HN 1 3
10 1 2 1 1 12 LEU HB2 a 13 . HB2 1 3
11 1 1 1 1 12 LEU HA a 13 . HA 1 3
11 1 2 1 1 12 LEU MD2 a 13 . HD2* 1 3
12 1 1 1 1 12 LEU HA a 13 . HA 1 3
12 1 2 1 1 12 LEU MD1 a 13 . HD1* 1 3
13 1 1 1 1 13 ILE H a 14 . HN 1 3
13 1 2 1 1 13 ILE HB a 14 . HB 1 3
14 1 1 1 1 13 ILE HA a 14 . HA 1 3
14 1 2 1 1 13 ILE MD a 14 . HD1* 1 3
15 1 1 1 1 13 ILE HA a 14 . HA 1 3
15 1 2 1 1 13 ILE MG a 14 . HG2* 1 3
16 1 1 1 1 15 GLU H a 16 . HN 1 3
16 1 2 1 1 15 GLU HA a 16 . HA 1 3
17 1 1 1 1 18 LEU H a 19 . HN 1 3
17 1 2 1 1 18 LEU HA a 19 . HA 1 3
18 1 1 1 1 19 LEU H a 20 . HN 1 3
18 1 2 1 1 19 LEU HA a 20 . HA 1 3
19 1 1 1 1 19 LEU H a 20 . HN 1 3
19 1 2 1 1 19 LEU HB3 a 20 . HB1 1 3
20 1 1 1 1 19 LEU H a 20 . HN 1 3
20 1 2 1 1 19 LEU HB2 a 20 . HB2 1 3
21 1 1 1 1 20 ARG H a 21 . HN 1 3
21 1 2 1 1 20 ARG HA a 21 . HA 1 3
22 1 1 1 1 20 ARG H a 21 . HN 1 3
22 1 2 1 1 20 ARG QB a 21 . HB* 1 3
23 1 1 1 1 22 ARG H a 23 . HN 1 3
23 1 2 1 1 22 ARG HA a 23 . HA 1 3
24 1 1 1 1 22 ARG H a 23 . HN 1 3
24 1 2 1 1 22 ARG QB a 23 . HB* 1 3
25 1 1 1 1 23 ARG H a 24 . HN 1 3
25 1 2 1 1 23 ARG HA a 24 . HA 1 3
26 1 1 1 1 23 ARG H a 24 . HN 1 3
26 1 2 1 1 23 ARG QB a 24 . HB* 1 3
27 1 1 1 1 24 GLU H a 25 . HN 1 3
27 1 2 1 1 24 GLU HA a 25 . HA 1 3
28 1 1 1 1 24 GLU H a 25 . HN 1 3
28 1 2 1 1 24 GLU QB a 25 . HB* 1 3
29 1 1 1 1 24 GLU H a 25 . HN 1 3
29 1 2 1 1 24 GLU QG a 25 . HG* 1 3
30 1 1 1 1 25 GLN H a 26 . HN 1 3
30 1 2 1 1 25 GLN HA a 26 . HA 1 3
31 1 1 1 1 25 GLN H a 26 . HN 1 3
31 1 2 1 1 25 GLN QB a 26 . HB* 1 3
32 1 1 1 1 25 GLN H a 26 . HN 1 3
32 1 2 1 1 25 GLN QG a 26 . HG* 1 3
33 1 1 1 1 26 LEU H a 27 . HN 1 3
33 1 2 1 1 26 LEU HB3 a 27 . HB1 1 3
34 1 1 1 1 26 LEU H a 27 . HN 1 3
34 1 2 1 1 26 LEU HB2 a 27 . HB2 1 3
35 1 1 1 1 26 LEU H a 27 . HN 1 3
35 1 2 1 1 26 LEU HG a 27 . HG2* 1 3
36 1 1 1 1 28 HIS H a 29 . HN 1 3
36 1 2 1 1 28 HIS QB a 29 . HB* 1 3
37 1 1 1 1 28 HIS HB3 a 29 . HB1 1 3
37 1 2 1 1 28 HIS HD2 a 29 . HD2 1 3
38 1 1 1 1 28 HIS HB2 a 29 . HB2 1 3
38 1 2 1 1 28 HIS HD2 a 29 . HD2 1 3
39 1 1 1 1 30 LEU H a 31 . HN 1 3
39 1 2 1 1 30 LEU HA a 31 . HA 1 3
40 1 1 1 1 30 LEU H a 31 . HN 1 3
40 1 2 1 1 30 LEU HB2 a 31 . HB2 1 3
41 1 1 1 1 30 LEU H a 31 . HN 1 3
41 1 2 1 1 30 LEU HB3 a 31 . HB1 1 3
42 1 1 1 1 31 GLU H a 32 . HN 1 3
42 1 2 1 1 31 GLU HA a 32 . HA 1 3
43 1 1 1 1 32 GLN H a 33 . HN 1 3
43 1 2 1 1 32 GLN HA a 33 . HA 1 3
44 1 1 1 1 32 GLN H a 33 . HN 1 3
44 1 2 1 1 32 GLN QB a 33 . HB* 1 3
45 1 1 1 1 33 LEU H a 34 . HN 1 3
45 1 2 1 1 33 LEU HA a 34 . HA 1 3
46 1 1 2 2 9 ASN H b 10 . HN 1 3
46 1 2 2 2 9 ASN HB3 b 10 . HB1 1 3
47 1 1 2 2 9 ASN H b 10 . HN 1 3
47 1 2 2 2 9 ASN HB2 b 10 . HB2 1 3
48 1 1 2 2 9 ASN HA b 10 . HA 1 3
48 1 2 2 2 9 ASN HB2 b 10 . HB2 1 3
49 1 1 2 2 9 ASN HB3 b 10 . HB1 1 3
49 1 2 2 2 9 ASN HD21 b 10 . HD21 1 3
50 1 1 2 2 10 ASP H b 11 . HN 1 3
50 1 2 2 2 10 ASP HA b 11 . HA 1 3
51 1 1 2 2 11 THR H b 12 . HN 1 3
51 1 2 2 2 11 THR HB b 12 . HB 1 3
52 1 1 2 2 11 THR H b 12 . HN 1 3
52 1 2 2 2 11 THR MG b 12 . HG* 1 3
53 1 1 2 2 11 THR HA b 12 . HA 1 3
53 1 2 2 2 11 THR MG b 12 . HG* 1 3
54 1 1 2 2 12 HIS H b 13 . HN 1 3
54 1 2 2 2 12 HIS HB3 b 13 . HB1 1 3
55 1 1 2 2 12 HIS H b 13 . HN 1 3
55 1 2 2 2 12 HIS HB2 b 13 . HB2 1 3
56 1 1 2 2 12 HIS HA b 13 . HA 1 3
56 1 2 2 2 12 HIS HB3 b 13 . HB1 1 3
57 1 1 2 2 12 HIS HB3 b 13 . HB1 1 3
57 1 2 2 2 12 HIS HD2 b 13 . HD2 1 3
58 1 1 2 2 12 HIS HB2 b 13 . HB2 1 3
58 1 2 2 2 12 HIS HD2 b 13 . HD2 1 3
59 1 1 2 2 12 HIS QB b 13 . HB* 1 3
59 1 2 2 2 12 HIS HD2 b 13 . HD2 1 3
60 1 1 2 2 13 GLN H b 14 . HN 1 3
60 1 2 2 2 13 GLN HA b 14 . HA 1 3
61 1 1 2 2 14 GLN H b 15 . HN 1 3
61 1 2 2 2 14 GLN HA b 15 . HA 1 3
62 1 1 2 2 15 ASP H b 16 . HN 1 3
62 1 2 2 2 15 ASP HA b 16 . HA 1 3
63 1 1 2 2 15 ASP H b 16 . HN 1 3
63 1 2 2 2 15 ASP HB3 b 16 . HB1 1 3
64 1 1 2 2 15 ASP H b 16 . HN 1 3
64 1 2 2 2 15 ASP HB2 b 16 . HB2 1 3
65 1 1 2 2 17 ASP H b 18 . HN 1 3
65 1 2 2 2 17 ASP HB3 b 18 . HB1 1 3
66 1 1 2 2 17 ASP H b 18 . HN 1 3
66 1 2 2 2 17 ASP HB2 b 18 . HB2 1 3
67 1 1 2 2 17 ASP HA b 18 . HA 1 3
67 1 2 2 2 17 ASP HB3 b 18 . HB1 1 3
68 1 1 2 2 17 ASP HA b 18 . HA 1 3
68 1 2 2 2 17 ASP HB2 b 18 . HB2 1 3
69 1 1 2 2 18 ASP H b 19 . HN 1 3
69 1 2 2 2 18 ASP HA b 19 . HA 1 3
70 1 1 2 2 18 ASP H b 19 . HN 1 3
70 1 2 2 2 18 ASP HB2 b 19 . HB2 1 3
71 1 1 2 2 19 LEU H b 20 . HN 1 3
71 1 2 2 2 19 LEU HB3 b 20 . HB1 1 3
72 1 1 2 2 19 LEU H b 20 . HN 1 3
72 1 2 2 2 19 LEU HB2 b 20 . HB2 1 3
73 1 1 2 2 19 LEU HA b 20 . HA 1 3
73 1 2 2 2 19 LEU HB3 b 20 . HB1 1 3
74 1 1 2 2 19 LEU H b 20 . HN 1 3
74 1 2 2 2 19 LEU HG b 20 . HG 1 3
75 1 1 2 2 19 LEU HA b 20 . HA 1 3
75 1 2 2 2 19 LEU QD b 20 . HD2* 1 3
76 1 1 2 2 20 LYS H b 21 . HN 1 3
76 1 2 2 2 20 LYS HA b 21 . HA 1 3
77 1 1 2 2 20 LYS H b 21 . HN 1 3
77 1 2 2 2 20 LYS QB b 21 . HB* 1 3
78 1 1 2 2 20 LYS QB b 21 . HB* 1 3
78 1 2 2 2 20 LYS QE b 21 . HE* 1 3
79 1 1 2 2 21 ARG H b 22 . HN 1 3
79 1 2 2 2 21 ARG HB3 b 22 . HB1 1 3
80 1 1 2 2 21 ARG H b 22 . HN 1 3
80 1 2 2 2 21 ARG HB2 b 22 . HB2 1 3
81 1 1 2 2 21 ARG HA b 22 . HA 1 3
81 1 2 2 2 21 ARG HB2 b 22 . HB2 1 3
82 1 1 2 2 22 GLN H b 23 . HN 1 3
82 1 2 2 2 22 GLN HA b 23 . HA 1 3
83 1 1 2 2 22 GLN H b 23 . HN 1 3
83 1 2 2 2 22 GLN QB b 23 . HB* 1 3
84 1 1 2 2 22 GLN H b 23 . HN 1 3
84 1 2 2 2 22 GLN QG b 23 . HG* 1 3
85 1 1 2 2 23 ASN H b 24 . HN 1 3
85 1 2 2 2 23 ASN HA b 24 . HA 1 3
86 1 1 2 2 23 ASN H b 24 . HN 1 3
86 1 2 2 2 23 ASN HB3 b 24 . HB1 1 3
87 1 1 2 2 23 ASN H b 24 . HN 1 3
87 1 2 2 2 23 ASN HB2 b 24 . HB2 1 3
88 1 1 2 2 23 ASN HA b 24 . HA 1 3
88 1 2 2 2 23 ASN HB3 b 24 . HB1 1 3
89 1 1 2 2 23 ASN HB3 b 24 . HB1 1 3
89 1 2 2 2 23 ASN HD22 b 24 . HD22 1 3
90 1 1 2 2 23 ASN HB3 b 24 . HB1 1 3
90 1 2 2 2 23 ASN HD21 b 24 . HD21 1 3
91 1 1 2 2 23 ASN HB2 b 24 . HB2 1 3
91 1 2 2 2 23 ASN HD21 b 24 . HD21 1 3
92 1 1 2 2 23 ASN HA b 24 . HA 1 3
92 1 2 2 2 23 ASN HD22 b 24 . HD22 1 3
93 1 1 2 2 23 ASN H b 24 . HN 1 3
93 1 2 2 2 23 ASN HD21 b 24 . HD21 1 3
94 1 1 2 2 24 ALA H b 25 . HN 1 3
94 1 2 2 2 24 ALA HA b 25 . HA 1 3
95 1 1 2 2 24 ALA H b 25 . HN 1 3
95 1 2 2 2 24 ALA MB b 25 . HB* 1 3
96 1 1 2 2 25 LEU H b 26 . HN 1 3
96 1 2 2 2 25 LEU HA b 26 . HA 1 3
97 1 1 2 2 26 LEU H b 27 . HN 1 3
97 1 2 2 2 26 LEU HB3 b 27 . HB1 1 3
98 1 1 2 2 26 LEU H b 27 . HN 1 3
98 1 2 2 2 26 LEU HB2 b 27 . HB2 1 3
99 1 1 2 2 26 LEU HA b 27 . HA 1 3
99 1 2 2 2 26 LEU HB3 b 27 . HB1 1 3
100 1 1 2 2 26 LEU H b 27 . HN 1 3
100 1 2 2 2 26 LEU HG b 27 . HG 1 3
101 1 1 2 2 26 LEU H b 27 . HN 1 3
101 1 2 2 2 26 LEU HA b 27 . HA 1 3
102 1 1 2 2 27 GLU H b 28 . HN 1 3
102 1 2 2 2 27 GLU HA b 28 . HA 1 3
103 1 1 2 2 27 GLU H b 28 . HN 1 3
103 1 2 2 2 27 GLU HB3 b 28 . HB1 1 3
104 1 1 2 2 27 GLU H b 28 . HN 1 3
104 1 2 2 2 27 GLU HB2 b 28 . HB2 1 3
105 1 1 2 2 28 GLN H b 29 . HN 1 3
105 1 2 2 2 28 GLN HA b 29 . HA 1 3
106 1 1 2 2 28 GLN H b 29 . HN 1 3
106 1 2 2 2 28 GLN QB b 29 . HB* 1 3
107 1 1 2 2 29 GLN H b 30 . HN 1 3
107 1 2 2 2 29 GLN HA b 30 . HA 1 3
108 1 1 2 2 30 VAL H b 31 . HN 1 3
108 1 2 2 2 30 VAL HA b 31 . HA 1 3
109 1 1 2 2 30 VAL H b 31 . HN 1 3
109 1 2 2 2 30 VAL HB b 31 . HB 1 3
110 1 1 2 2 30 VAL H b 31 . HN 1 3
110 1 2 2 2 30 VAL MG2 b 31 . HG2* 1 3
111 1 1 2 2 30 VAL H b 31 . HN 1 3
111 1 2 2 2 30 VAL MG1 b 31 . HG1* 1 3
112 1 1 2 2 30 VAL HA b 31 . HA 1 3
112 1 2 2 2 30 VAL MG2 b 31 . HG2* 1 3
113 1 1 2 2 30 VAL HA b 31 . HA 1 3
113 1 2 2 2 30 VAL MG1 b 31 . HG1* 1 3
114 1 1 2 2 32 ALA H b 33 . HN 1 3
114 1 2 2 2 32 ALA HA b 33 . HA 1 3
115 1 1 2 2 32 ALA H b 33 . HN 1 3
115 1 2 2 2 32 ALA MB b 33 . HB* 1 3
116 1 1 2 2 33 LEU H b 34 . HN 1 3
116 1 2 2 2 33 LEU HA b 34 . HA 1 3
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 3.0 1 3
2 1 . . . . . 3.0 1.8 3.5 1 3
3 1 . . . . . 3.5 1.8 4.5 1 3
4 1 . . . . . 3.5 1.8 4.5 1 3
5 1 . . . . . 3.0 1.8 3.5 1 3
6 1 . . . . . 3.0 1.8 3.5 1 3
7 1 . . . . . 3.0 1.8 3.5 1 3
8 1 . . . . . 3.0 1.8 3.5 1 3
9 1 . . . . . 3.5 3.0 4.0 1 3
10 1 . . . . . 2.5 1.8 3.0 1 3
11 1 . . . . . 2.5 1.8 3.5 1 3
12 1 . . . . . 4.0 1.8 5.0 1 3
13 1 . . . . . 2.5 1.8 3.0 1 3
14 1 . . . . . 4.5 1.8 5.5 1 3
15 1 . . . . . 3.0 1.8 4.0 1 3
16 1 . . . . . 3.0 1.8 3.5 1 3
17 1 . . . . . 2.5 1.8 3.0 1 3
18 1 . . . . . 3.0 1.8 3.5 1 3
19 1 . . . . . 3.5 1.8 3.5 1 3
20 1 . . . . . 2.5 1.8 3.0 1 3
21 1 . . . . . 2.5 1.8 3.0 1 3
22 1 . . . . . 3.0 1.8 4.5 1 3
23 1 . . . . . 2.5 1.8 3.0 1 3
24 1 . . . . . 3.0 1.8 4.5 1 3
25 1 . . . . . 2.5 1.8 3.0 1 3
26 1 . . . . . 3.0 1.8 4.5 1 3
27 1 . . . . . 3.0 1.8 3.5 1 3
28 1 . . . . . 3.0 1.8 4.5 1 3
29 1 . . . . . 3.5 1.8 5.0 1 3
30 1 . . . . . 2.5 1.8 3.0 1 3
31 1 . . . . . 3.0 1.8 4.5 1 3
32 1 . . . . . 4.0 1.8 5.5 1 3
33 1 . . . . . 3.5 1.8 4.0 1 3
34 1 . . . . . 2.5 1.8 3.0 1 3
35 1 . . . . . 3.0 2.3 4.5 1 3
36 1 . . . . . 2.5 1.8 4.0 1 3
37 1 . . . . . 3.5 1.8 4.0 1 3
38 1 . . . . . 2.5 1.8 3.0 1 3
39 1 . . . . . 2.5 1.8 3.0 1 3
40 1 . . . . . 2.5 1.8 3.0 1 3
41 1 . . . . . 3.5 1.8 4.0 1 3
42 1 . . . . . 3.0 1.8 3.5 1 3
43 1 . . . . . 3.0 1.8 3.5 1 3
44 1 . . . . . 3.0 1.8 4.5 1 3
45 1 . . . . . 3.0 1.8 3.5 1 3
46 1 . . . . . 3.5 3.0 4.0 1 3
47 1 . . . . . 2.5 1.8 3.0 1 3
48 1 . . . . . 2.8 1.8 3.3 1 3
49 1 . . . . . 3.0 1.8 3.5 1 3
50 1 . . . . . 3.0 1.8 3.5 1 3
51 1 . . . . . 3.5 1.8 4.0 1 3
52 1 . . . . . 3.5 2.3 4.5 1 3
53 1 . . . . . 3.5 2.3 4.5 1 3
54 1 . . . . . 3.5 3.0 4.0 1 3
55 1 . . . . . 2.5 1.8 3.0 1 3
56 1 . . . . . 3.0 1.8 3.5 1 3
57 1 . . . . . 4.0 1.8 4.5 1 3
58 1 . . . . . 2.5 1.8 3.0 1 3
59 1 . . . . . 3.0 1.8 4.0 1 3
60 1 . . . . . 3.0 1.8 3.5 1 3
61 1 . . . . . 3.0 1.8 3.5 1 3
62 1 . . . . . 3.0 1.8 3.5 1 3
63 1 . . . . . 3.0 1.8 3.5 1 3
64 1 . . . . . 3.0 1.8 3.5 1 3
65 1 . . . . . 3.0 1.8 3.5 1 3
66 1 . . . . . 4.0 1.8 4.5 1 3
67 1 . . . . . 3.0 1.8 3.5 1 3
68 1 . . . . . 3.0 1.8 3.5 1 3
69 1 . . . . . 3.0 1.8 3.5 1 3
70 1 . . . . . 3.0 1.8 3.5 1 3
71 1 . . . . . 3.5 1.8 4.0 1 3
72 1 . . . . . 2.5 1.8 3.0 1 3
73 1 . . . . . 3.0 1.8 3.5 1 3
74 1 . . . . . 3.0 1.8 3.5 1 3
75 1 . . . . . 3.0 1.8 4.0 1 3
76 1 . . . . . 3.0 1.8 3.5 1 3
77 1 . . . . . 3.0 1.8 4.5 1 3
78 1 . . . . . 3.5 1.8 5.0 1 3
79 1 . . . . . 3.0 1.8 3.5 1 3
80 1 . . . . . 3.5 2.3 4.0 1 3
81 1 . . . . . 3.0 1.8 3.5 1 3
82 1 . . . . . 3.0 1.8 3.5 1 3
83 1 . . . . . 3.0 1.8 4.0 1 3
84 1 . . . . . 3.5 2.3 4.5 1 3
85 1 . . . . . 3.0 1.8 3.5 1 3
86 1 . . . . . 3.5 1.8 4.0 1 3
87 1 . . . . . 2.5 1.8 3.0 1 3
88 1 . . . . . 3.0 1.8 3.5 1 3
89 1 . . . . . 4.0 1.8 4.5 1 3
90 1 . . . . . 3.0 1.8 3.5 1 3
91 1 . . . . . 3.0 1.8 3.5 1 3
92 1 . . . . . 4.0 1.8 4.5 1 3
93 1 . . . . . 4.0 1.8 4.5 1 3
94 1 . . . . . 3.0 1.8 3.5 1 3
95 1 . . . . . 3.0 2.3 4.0 1 3
96 1 . . . . . 3.0 1.8 3.5 1 3
97 1 . . . . . 3.5 3.0 4.0 1 3
98 1 . . . . . 2.5 1.8 3.0 1 3
99 1 . . . . . 3.0 1.8 3.5 1 3
100 1 . . . . . 3.0 1.8 3.5 1 3
101 1 . . . . . 3.0 1.8 3.5 1 3
102 1 . . . . . 3.0 1.8 3.5 1 3
103 1 . . . . . 3.0 1.8 3.5 1 3
104 1 . . . . . 3.0 1.8 3.5 1 3
105 1 . . . . . 3.0 1.8 3.5 1 3
106 1 . . . . . 3.0 1.8 4.0 1 3
107 1 . . . . . 3.0 1.8 3.5 1 3
108 1 . . . . . 3.0 1.8 3.5 1 3
109 1 . . . . . 2.5 1.8 3.0 1 3
110 1 . . . . . 3.0 1.8 4.0 1 3
111 1 . . . . . 4.5 2.8 5.5 1 3
112 1 . . . . . 2.8 1.8 3.8 1 3
113 1 . . . . . 2.8 1.8 3.8 1 3
114 1 . . . . . 2.8 1.8 3.3 1 3
115 1 . . . . . 3.0 1.8 4.0 1 3
116 1 . . . . . 3.0 1.8 4.0 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_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 4
2 1 . . . 1 4
3 1 . . . 1 4
4 1 . . . 1 4
5 1 . . . 1 4
6 1 . . . 1 4
7 1 . . . 1 4
8 1 . . . 1 4
9 1 . . . 1 4
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
23 1 . . . 1 4
24 1 . . . 1 4
25 1 . . . 1 4
26 1 . . . 1 4
27 1 . . . 1 4
28 1 . . . 1 4
29 1 . . . 1 4
30 1 . . . 1 4
31 1 . . . 1 4
32 1 . . . 1 4
33 1 . . . 1 4
34 1 . . . 1 4
35 1 . . . 1 4
36 1 . . . 1 4
37 1 . . . 1 4
38 1 . . . 1 4
39 1 . . . 1 4
40 1 . . . 1 4
41 1 . . . 1 4
42 1 . . . 1 4
43 1 . . . 1 4
44 1 . . . 1 4
45 1 . . . 1 4
46 1 . . . 1 4
47 1 . . . 1 4
48 1 . . . 1 4
49 1 . . . 1 4
50 1 . . . 1 4
51 1 . . . 1 4
52 1 . . . 1 4
53 1 . . . 1 4
54 1 . . . 1 4
55 1 . . . 1 4
56 1 . . . 1 4
57 1 . . . 1 4
58 1 . . . 1 4
59 1 . . . 1 4
60 1 . . . 1 4
61 1 . . . 1 4
62 1 . . . 1 4
63 1 . . . 1 4
64 1 . . . 1 4
65 1 . . . 1 4
66 1 . . . 1 4
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 12 LEU QB a 13 . HB* 1 4
1 1 2 2 2 9 ASN HA b 10 . HA 1 4
2 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
2 1 2 2 2 9 ASN HA b 10 . HA 1 4
3 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
3 1 2 2 2 9 ASN HB3 b 10 . HB1 1 4
4 1 1 1 1 9 GLU HA a 10 . HA 1 4
4 1 2 2 2 9 ASN HD22 b 10 . HD22 1 4
5 1 1 1 1 5 VAL QG a 6 . HG* 1 4
5 1 2 2 2 9 ASN HD21 b 10 . HD21 1 4
6 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
6 1 2 2 2 9 ASN HD21 b 10 . HD21 1 4
7 1 1 1 1 5 VAL QG a 6 . HG* 1 4
7 1 2 2 2 9 ASN HD22 b 10 . HD22 1 4
8 1 1 1 1 8 GLU QB a 9 . HB* 1 4
8 1 2 2 2 9 ASN HD21 b 10 . HD21 1 4
9 1 1 1 1 8 GLU QG a 9 . HG* 1 4
9 1 2 2 2 9 ASN HD22 b 10 . HD22 1 4
10 1 1 1 1 9 GLU QG a 10 . HG* 1 4
10 1 2 2 2 9 ASN HD22 b 10 . HD22 1 4
11 1 1 1 1 12 LEU MD2 a 13 . HD2* 1 4
11 1 2 2 2 13 GLN H b 14 . HN 1 4
12 1 1 1 1 13 ILE MG a 14 . HG2* 1 4
12 1 2 2 2 12 HIS HE1 b 13 . HE1 1 4
13 1 1 1 1 13 ILE MD a 14 . HD1* 1 4
13 1 2 2 2 12 HIS HE1 b 13 . HE1 1 4
14 1 1 1 1 13 ILE HA a 14 . HA 1 4
14 1 2 2 2 12 HIS HE1 b 13 . HE1 1 4
15 1 1 1 1 13 ILE QG a 14 . HG1* 1 4
15 1 2 2 2 12 HIS HE1 b 13 . HE1 1 4
16 1 1 1 1 12 LEU HB3 a 13 . HB1 1 4
16 1 2 2 2 12 HIS HB3 b 13 . HB1 1 4
17 1 1 1 1 12 LEU HB2 a 13 . HB2 1 4
17 1 2 2 2 12 HIS HB3 b 13 . HB1 1 4
18 1 1 1 1 12 LEU HB3 a 13 . HB1 1 4
18 1 2 2 2 12 HIS HB2 b 13 . HB2 1 4
19 1 1 1 1 12 LEU HB2 a 13 . HB2 1 4
19 1 2 2 2 12 HIS HB2 b 13 . HB2 1 4
20 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
20 1 2 2 2 12 HIS HB3 b 13 . HB1 1 4
21 1 1 1 1 12 LEU MD2 a 13 . HD2* 1 4
21 1 2 2 2 12 HIS HB3 b 13 . HB1 1 4
22 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
22 1 2 2 2 12 HIS HB2 b 13 . HB2 1 4
23 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
23 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
24 1 1 1 1 12 LEU HB3 a 13 . HB1 1 4
24 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
25 1 1 1 1 12 LEU HB2 a 13 . HB2 1 4
25 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
26 1 1 1 1 9 GLU HG3 a 10 . HG1 1 4
26 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
27 1 1 1 1 9 GLU HG2 a 10 . HG2 1 4
27 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
28 1 1 1 1 9 GLU QB a 10 . HB* 1 4
28 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
29 1 1 1 1 9 GLU HA a 10 . HA 1 4
29 1 2 2 2 12 HIS HD2 b 13 . HD2 1 4
30 1 1 1 1 12 LEU MD1 a 13 . HD1* 1 4
30 1 2 2 2 13 GLN H b 14 . HN 1 4
31 1 1 1 1 19 LEU MD1 a 20 . HD1* 1 4
31 1 2 2 2 16 ILE HA b 17 . HA 1 4
32 1 1 1 1 16 GLU HA a 17 . HA 1 4
32 1 2 2 2 16 ILE HA b 17 . HA 1 4
33 1 1 1 1 20 ARG QD a 21 . HD* 1 4
33 1 2 2 2 19 LEU QD b 20 . HD1* 1 4
34 1 1 1 1 20 ARG H a 21 . HN 1 4
34 1 2 2 2 19 LEU QD b 20 . HD2* 1 4
35 1 1 1 1 19 LEU MD2 a 20 . HD2* 1 4
35 1 2 2 2 20 LYS H b 21 . HN 1 4
36 1 1 1 1 19 LEU MD1 a 20 . HD1* 1 4
36 1 2 2 2 20 LYS H b 21 . HN 1 4
37 1 1 1 1 19 LEU MD2 a 20 . HD2* 1 4
37 1 2 2 2 20 LYS HA b 21 . HA 1 4
38 1 1 1 1 19 LEU MD2 a 20 . HD2* 1 4
38 1 2 2 2 20 LYS QE b 21 . HE* 1 4
39 1 1 1 1 19 LEU MD1 a 20 . HD1* 1 4
39 1 2 2 2 20 LYS QE b 21 . HE* 1 4
40 1 1 1 1 26 LEU MD1 a 27 . HD1* 1 4
40 1 2 2 2 23 ASN HA b 24 . HA 1 4
41 1 1 1 1 26 LEU MD1 a 27 . HD1* 1 4
41 1 2 2 2 23 ASN HB3 b 24 . HB1 1 4
42 1 1 1 1 23 ARG HA a 24 . HA 1 4
42 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
43 1 1 1 1 19 LEU HA a 20 . HA 1 4
43 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
44 1 1 1 1 23 ARG HB3 a 24 . HB1 1 4
44 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
45 1 1 1 1 23 ARG HB2 a 24 . HB2 1 4
45 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
46 1 1 1 1 22 ARG QB a 23 . HB* 1 4
46 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
47 1 1 1 1 22 ARG QB a 23 . HB* 1 4
47 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
48 1 1 1 1 23 ARG H a 24 . HN 1 4
48 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
49 1 1 1 1 23 ARG H a 24 . HN 1 4
49 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
50 1 1 1 1 19 LEU MD2 a 20 . HD2* 1 4
50 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
51 1 1 1 1 19 LEU MD2 a 20 . HD2* 1 4
51 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
52 1 1 1 1 23 ARG HA a 24 . HA 1 4
52 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
53 1 1 1 1 19 LEU HA a 20 . HA 1 4
53 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
54 1 1 1 1 19 LEU HB3 a 20 . HB1 1 4
54 1 2 2 2 23 ASN HD22 b 24 . HD22 1 4
55 1 1 1 1 19 LEU HB3 a 20 . HB1 1 4
55 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
56 1 1 1 1 23 ARG HA a 24 . HA 1 4
56 1 2 2 2 23 ASN HA b 24 . HA 1 4
57 1 1 1 1 26 LEU MD1 a 27 . HD1* 1 4
57 1 2 2 2 23 ASN HB2 b 24 . HB2 1 4
58 1 1 1 1 22 ARG QG a 23 . HG* 1 4
58 1 2 2 2 23 ASN HD21 b 24 . HD21 1 4
59 1 1 1 1 23 ARG QD a 24 . HD* 1 4
59 1 2 2 2 19 LEU QD b 20 . HD2* 1 4
60 1 1 1 1 23 ARG QD a 24 . HD* 1 4
60 1 2 2 2 19 LEU HA b 20 . HA 1 4
61 1 1 1 1 23 ARG HE a 24 . HE 1 4
61 1 2 2 2 19 LEU HA b 20 . HA 1 4
62 1 1 1 1 26 LEU MD2 a 27 . HD2* 1 4
62 1 2 2 2 27 GLU H b 28 . HN 1 4
63 1 1 1 1 26 LEU MD1 a 27 . HD1* 1 4
63 1 2 2 2 27 GLU H b 28 . HN 1 4
64 1 1 1 1 26 LEU MD2 a 27 . HD2* 1 4
64 1 2 2 2 27 GLU HA b 28 . HA 1 4
65 1 1 1 1 26 LEU MD1 a 27 . HD1* 1 4
65 1 2 2 2 27 GLU HA b 28 . HA 1 4
66 1 1 1 1 30 LEU H a 31 . HN 1 4
66 1 2 2 2 30 VAL MG2 b 31 . HG2* 1 4
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 . . . . . 4.5 1.8 5.0 1 4
2 1 . . . . . 3.5 1.8 5.0 1 4
3 1 . . . . . 3.5 1.8 4.0 1 4
4 1 . . . . . 3.5 1.8 5.0 1 4
5 1 . . . . . 2.8 1.8 5.2 1 4
6 1 . . . . . 4.5 1.8 5.5 1 4
7 1 . . . . . 2.8 1.8 5.2 1 4
8 1 . . . . . 4.5 1.8 5.5 1 4
9 1 . . . . . 4.5 1.8 5.5 1 4
10 1 . . . . . 4.5 1.8 5.5 1 4
11 1 . . . . . 3.5 2.3 4.3 1 4
12 1 . . . . . 3.5 1.8 4.5 1 4
13 1 . . . . . 3.5 1.8 4.5 1 4
14 1 . . . . . 4.0 1.8 4.5 1 4
15 1 . . . . . 3.5 1.8 4.0 1 4
16 1 . . . . . 4.0 1.8 4.5 1 4
17 1 . . . . . 4.0 1.8 4.5 1 4
18 1 . . . . . 4.0 1.8 4.5 1 4
19 1 . . . . . 4.0 1.8 4.5 1 4
20 1 . . . . . 3.5 1.8 4.5 1 4
21 1 . . . . . 4.5 1.8 5.5 1 4
22 1 . . . . . 3.5 1.8 4.5 1 4
23 1 . . . . . 3.5 1.8 4.5 1 4
24 1 . . . . . 4.0 1.8 4.5 1 4
25 1 . . . . . 3.5 1.8 4.0 1 4
26 1 . . . . . 3.5 1.8 4.5 1 4
27 1 . . . . . 3.5 1.8 4.5 1 4
28 1 . . . . . 4.3 3.1 4.8 1 4
29 1 . . . . . 4.0 1.8 4.5 1 4
30 1 . . . . . 3.5 2.3 4.3 1 4
31 1 . . . . . 3.5 1.8 4.5 1 4
32 1 . . . . . 4.5 1.8 5.0 1 4
33 1 . . . . . 4.5 1.8 5.5 1 4
34 1 . . . . . 4.5 1.8 5.5 1 4
35 1 . . . . . 4.0 1.8 5.0 1 4
36 1 . . . . . 4.0 1.8 5.0 1 4
37 1 . . . . . 4.0 1.8 5.0 1 4
38 1 . . . . . 4.5 1.8 5.5 1 4
39 1 . . . . . 4.5 1.8 5.5 1 4
40 1 . . . . . 3.5 1.8 4.5 1 4
41 1 . . . . . 3.5 1.8 4.5 1 4
42 1 . . . . . 4.0 1.8 4.5 1 4
43 1 . . . . . 4.0 1.8 4.5 1 4
44 1 . . . . . 4.0 1.8 4.5 1 4
45 1 . . . . . 4.0 1.8 4.5 1 4
46 1 . . . . . 3.5 1.8 4.0 1 4
47 1 . . . . . 3.5 1.8 4.0 1 4
48 1 . . . . . 3.5 1.8 4.0 1 4
49 1 . . . . . 3.5 1.8 4.0 1 4
50 1 . . . . . 3.5 1.8 4.5 1 4
51 1 . . . . . 2.8 1.8 3.8 1 4
52 1 . . . . . 4.0 1.8 4.5 1 4
53 1 . . . . . 4.0 1.8 4.5 1 4
54 1 . . . . . 3.5 1.8 4.0 1 4
55 1 . . . . . 3.5 1.8 4.0 1 4
56 1 . . . . . 4.5 1.8 5.0 1 4
57 1 . . . . . 3.5 1.8 4.5 1 4
58 1 . . . . . 4.0 1.8 5.0 1 4
59 1 . . . . . 4.0 2.8 4.5 1 4
60 1 . . . . . 4.2 3.0 4.7 1 4
61 1 . . . . . 4.5 3.3 5.0 1 4
62 1 . . . . . 4.5 3.3 5.3 1 4
63 1 . . . . . 4.5 3.3 5.3 1 4
64 1 . . . . . 3.5 2.3 4.3 1 4
65 1 . . . . . 4.5 3.3 5.3 1 4
66 1 . . . . . 4.5 2.3 5.3 1 4
stop_
save_
save_CNS/XPLOR_distance_constraints_10_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 5
_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 5
2 1 . . . 1 5
3 1 . . . 1 5
4 1 . . . 1 5
5 1 . . . 1 5
6 1 . . . 1 5
7 1 . . . 1 5
8 1 . . . 1 5
9 1 . . . 1 5
10 1 . . . 1 5
11 1 . . . 1 5
12 1 . . . 1 5
13 1 . . . 1 5
14 1 . . . 1 5
15 1 . . . 1 5
16 1 . . . 1 5
17 1 . . . 1 5
18 1 . . . 1 5
19 1 . . . 1 5
20 1 . . . 1 5
21 1 . . . 1 5
22 1 . . . 1 5
23 1 . . . 1 5
24 1 . . . 1 5
25 1 . . . 1 5
26 1 . . . 1 5
27 1 . . . 1 5
28 1 . . . 1 5
29 1 . . . 1 5
30 1 . . . 1 5
31 1 . . . 1 5
32 1 . . . 1 5
33 1 . . . 1 5
34 1 . . . 1 5
35 1 . . . 1 5
36 1 . . . 1 5
37 1 . . . 1 5
38 1 . . . 1 5
39 1 . . . 1 5
40 1 . . . 1 5
41 1 . . . 1 5
42 1 . . . 1 5
43 1 . . . 1 5
44 1 . . . 1 5
45 1 . . . 1 5
46 1 . . . 1 5
47 1 . . . 1 5
48 1 . . . 1 5
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 4 GLY O a 5 . O 1 5
1 1 2 1 1 8 GLU N a 9 . N 1 5
2 1 1 1 1 5 VAL O a 6 . O 1 5
2 1 2 1 1 9 GLU N a 10 . N 1 5
3 1 1 1 1 6 GLN O a 7 . O 1 5
3 1 2 1 1 10 GLN N a 11 . N 1 5
4 1 1 1 1 7 ALA O a 8 . O 1 5
4 1 2 1 1 11 LYS N a 12 . N 1 5
5 1 1 1 1 8 GLU O a 9 . O 1 5
5 1 2 1 1 12 LEU N a 13 . N 1 5
6 1 1 1 1 9 GLU O a 10 . O 1 5
6 1 2 1 1 13 ILE N a 14 . N 1 5
7 1 1 1 1 10 GLN O a 11 . O 1 5
7 1 2 1 1 14 SER N a 15 . N 1 5
8 1 1 1 1 11 LYS O a 12 . O 1 5
8 1 2 1 1 15 GLU N a 16 . N 1 5
9 1 1 1 1 12 LEU O a 13 . O 1 5
9 1 2 1 1 16 GLU N a 17 . N 1 5
10 1 1 1 1 13 ILE O a 14 . O 1 5
10 1 2 1 1 17 ASP N a 18 . N 1 5
11 1 1 1 1 14 SER O a 15 . O 1 5
11 1 2 1 1 18 LEU N a 19 . N 1 5
12 1 1 1 1 15 GLU O a 16 . O 1 5
12 1 2 1 1 19 LEU N a 20 . N 1 5
13 1 1 1 1 16 GLU O a 17 . O 1 5
13 1 2 1 1 20 ARG N a 21 . N 1 5
14 1 1 1 1 17 ASP O a 18 . O 1 5
14 1 2 1 1 21 LYS N a 22 . N 1 5
15 1 1 1 1 18 LEU O a 19 . O 1 5
15 1 2 1 1 22 ARG N a 23 . N 1 5
16 1 1 1 1 19 LEU O a 20 . O 1 5
16 1 2 1 1 23 ARG N a 24 . N 1 5
17 1 1 1 1 20 ARG O a 21 . O 1 5
17 1 2 1 1 24 GLU N a 25 . N 1 5
18 1 1 1 1 21 LYS O a 22 . O 1 5
18 1 2 1 1 25 GLN N a 26 . N 1 5
19 1 1 1 1 22 ARG O a 23 . O 1 5
19 1 2 1 1 26 LEU N a 27 . N 1 5
20 1 1 1 1 23 ARG O a 24 . O 1 5
20 1 2 1 1 27 LYS N a 28 . N 1 5
21 1 1 1 1 24 GLU O a 25 . O 1 5
21 1 2 1 1 28 HIS N a 29 . N 1 5
22 1 1 1 1 25 GLN O a 26 . O 1 5
22 1 2 1 1 29 LYS N a 30 . N 1 5
23 1 1 1 1 26 LEU O a 27 . O 1 5
23 1 2 1 1 30 LEU N a 31 . N 1 5
24 1 1 1 1 27 LYS O a 28 . O 1 5
24 1 2 1 1 31 GLU N a 32 . N 1 5
25 1 1 2 2 4 GLY O b 5 . O 1 5
25 1 2 2 2 8 LYS N b 9 . N 1 5
26 1 1 2 2 5 MET O b 6 . O 1 5
26 1 2 2 2 9 ASN N b 10 . N 1 5
27 1 1 2 2 6 ARG O b 7 . O 1 5
27 1 2 2 2 10 ASP N b 11 . N 1 5
28 1 1 2 2 7 ARG O b 8 . O 1 5
28 1 2 2 2 11 THR N b 12 . N 1 5
29 1 1 2 2 8 LYS O b 9 . O 1 5
29 1 2 2 2 12 HIS N b 13 . N 1 5
30 1 1 2 2 9 ASN O b 10 . O 1 5
30 1 2 2 2 13 GLN N b 14 . N 1 5
31 1 1 2 2 10 ASP O b 11 . O 1 5
31 1 2 2 2 14 GLN N b 15 . N 1 5
32 1 1 2 2 11 THR O b 12 . O 1 5
32 1 2 2 2 15 ASP N b 16 . N 1 5
33 1 1 2 2 12 HIS O b 13 . O 1 5
33 1 2 2 2 16 ILE N b 17 . N 1 5
34 1 1 2 2 13 GLN O b 14 . O 1 5
34 1 2 2 2 17 ASP N b 18 . N 1 5
35 1 1 2 2 14 GLN O b 15 . O 1 5
35 1 2 2 2 18 ASP N b 19 . N 1 5
36 1 1 2 2 15 ASP O b 16 . O 1 5
36 1 2 2 2 19 LEU N b 20 . N 1 5
37 1 1 2 2 16 ILE O b 17 . O 1 5
37 1 2 2 2 20 LYS N b 21 . N 1 5
38 1 1 2 2 17 ASP O b 18 . O 1 5
38 1 2 2 2 21 ARG N b 22 . N 1 5
39 1 1 2 2 18 ASP O b 19 . O 1 5
39 1 2 2 2 22 GLN N b 23 . N 1 5
40 1 1 2 2 19 LEU O b 20 . O 1 5
40 1 2 2 2 23 ASN N b 24 . N 1 5
41 1 1 2 2 20 LYS O b 21 . O 1 5
41 1 2 2 2 24 ALA N b 25 . N 1 5
42 1 1 2 2 21 ARG O b 22 . O 1 5
42 1 2 2 2 25 LEU N b 26 . N 1 5
43 1 1 2 2 22 GLN O b 23 . O 1 5
43 1 2 2 2 26 LEU N b 27 . N 1 5
44 1 1 2 2 23 ASN O b 24 . O 1 5
44 1 2 2 2 27 GLU N b 28 . N 1 5
45 1 1 2 2 24 ALA O b 25 . O 1 5
45 1 2 2 2 28 GLN N b 29 . N 1 5
46 1 1 2 2 25 LEU O b 26 . O 1 5
46 1 2 2 2 29 GLN N b 30 . N 1 5
47 1 1 2 2 26 LEU O b 27 . O 1 5
47 1 2 2 2 30 VAL N b 31 . N 1 5
48 1 1 2 2 27 GLU O b 28 . O 1 5
48 1 2 2 2 31 ARG N b 32 . N 1 5
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 . . . . . 2.8 2.4 3.3 1 5
2 1 . . . . . 2.8 2.4 3.3 1 5
3 1 . . . . . 2.8 2.4 3.3 1 5
4 1 . . . . . 2.8 2.4 3.3 1 5
5 1 . . . . . 2.8 2.4 3.3 1 5
6 1 . . . . . 2.8 2.4 3.3 1 5
7 1 . . . . . 2.8 2.4 3.3 1 5
8 1 . . . . . 2.8 2.4 3.3 1 5
9 1 . . . . . 2.8 2.4 3.3 1 5
10 1 . . . . . 2.8 2.4 3.3 1 5
11 1 . . . . . 2.8 2.4 3.3 1 5
12 1 . . . . . 2.8 2.4 3.3 1 5
13 1 . . . . . 2.8 2.4 3.3 1 5
14 1 . . . . . 2.8 2.4 3.3 1 5
15 1 . . . . . 2.8 2.4 3.3 1 5
16 1 . . . . . 2.8 2.4 3.3 1 5
17 1 . . . . . 2.8 2.4 3.3 1 5
18 1 . . . . . 2.8 2.4 3.3 1 5
19 1 . . . . . 2.8 2.4 3.3 1 5
20 1 . . . . . 2.8 2.4 3.3 1 5
21 1 . . . . . 2.8 2.4 3.3 1 5
22 1 . . . . . 2.8 2.4 3.3 1 5
23 1 . . . . . 2.8 2.4 3.3 1 5
24 1 . . . . . 2.8 2.4 3.3 1 5
25 1 . . . . . 2.8 2.4 3.3 1 5
26 1 . . . . . 2.8 2.4 3.3 1 5
27 1 . . . . . 2.8 2.4 3.3 1 5
28 1 . . . . . 2.8 2.4 3.3 1 5
29 1 . . . . . 2.8 2.4 3.3 1 5
30 1 . . . . . 2.8 2.4 3.3 1 5
31 1 . . . . . 2.8 2.4 3.3 1 5
32 1 . . . . . 2.8 2.4 3.3 1 5
33 1 . . . . . 2.8 2.4 3.3 1 5
34 1 . . . . . 2.8 2.4 3.3 1 5
35 1 . . . . . 2.8 2.4 3.3 1 5
36 1 . . . . . 2.8 2.4 3.3 1 5
37 1 . . . . . 2.8 2.4 3.3 1 5
38 1 . . . . . 2.8 2.4 3.3 1 5
39 1 . . . . . 2.8 2.4 3.3 1 5
40 1 . . . . . 2.8 2.4 3.3 1 5
41 1 . . . . . 2.8 2.4 3.3 1 5
42 1 . . . . . 2.8 2.4 3.3 1 5
43 1 . . . . . 2.8 2.4 3.3 1 5
44 1 . . . . . 2.8 2.4 3.3 1 5
45 1 . . . . . 2.8 2.4 3.3 1 5
46 1 . . . . . 2.8 2.4 3.3 1 5
47 1 . . . . . 2.8 2.4 3.3 1 5
48 1 . . . . . 2.8 2.4 3.3 1 5
stop_
save_
save_CNS/XPLOR_dihedral_12
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_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_asym_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_asym_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_asym_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.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 5 VAL C 1 1 6 GLN N 1 1 6 GLN CA 1 1 6 GLN C -100.0 -20.0 a 6 . C a 7 . N a 7 . CA a 7 . C 1 1
2 . 1 1 6 GLN C 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C -100.0 -20.0 a 7 . C a 8 . N a 8 . CA a 8 . C 1 1
3 . 1 1 7 ALA C 1 1 8 GLU N 1 1 8 GLU CA 1 1 8 GLU C -100.0 -20.0 a 8 . C a 9 . N a 9 . CA a 9 . C 1 1
4 . 1 1 8 GLU C 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C -100.0 -20.0 a 9 . C a 10 . N a 10 . CA a 10 . C 1 1
5 . 1 1 9 GLU C 1 1 10 GLN N 1 1 10 GLN CA 1 1 10 GLN C -100.0 -20.0 a 10 . C a 11 . N a 11 . CA a 11 . C 1 1
6 . 1 1 10 GLN C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -100.0 -20.0 a 11 . C a 12 . N a 12 . CA a 12 . C 1 1
7 . 1 1 11 LYS C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -100.0 -20.0 a 12 . C a 13 . N a 13 . CA a 13 . C 1 1
8 . 1 1 12 LEU C 1 1 13 ILE N 1 1 13 ILE CA 1 1 13 ILE C -100.0 -20.0 a 13 . C a 14 . N a 14 . CA a 14 . C 1 1
9 . 1 1 13 ILE C 1 1 14 SER N 1 1 14 SER CA 1 1 14 SER C -100.0 -20.0 a 14 . C a 15 . N a 15 . CA a 15 . C 1 1
10 . 1 1 14 SER C 1 1 15 GLU N 1 1 15 GLU CA 1 1 15 GLU C -100.0 -20.0 a 15 . C a 16 . N a 16 . CA a 16 . C 1 1
11 . 1 1 15 GLU C 1 1 16 GLU N 1 1 16 GLU CA 1 1 16 GLU C -100.0 -20.0 a 16 . C a 17 . N a 17 . CA a 17 . C 1 1
12 . 1 1 16 GLU C 1 1 17 ASP N 1 1 17 ASP CA 1 1 17 ASP C -100.0 -20.0 a 17 . C a 18 . N a 18 . CA a 18 . C 1 1
13 . 1 1 17 ASP C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -100.0 -20.0 a 18 . C a 19 . N a 19 . CA a 19 . C 1 1
14 . 1 1 18 LEU C 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C -100.0 -20.0 a 19 . C a 20 . N a 20 . CA a 20 . C 1 1
15 . 1 1 19 LEU C 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG C -100.0 -20.0 a 20 . C a 21 . N a 21 . CA a 21 . C 1 1
16 . 1 1 20 ARG C 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C -100.0 -20.0 a 21 . C a 22 . N a 22 . CA a 22 . C 1 1
17 . 1 1 21 LYS C 1 1 22 ARG N 1 1 22 ARG CA 1 1 22 ARG C -100.0 -20.0 a 22 . C a 23 . N a 23 . CA a 23 . C 1 1
18 . 1 1 22 ARG C 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG C -100.0 -20.0 a 23 . C a 24 . N a 24 . CA a 24 . C 1 1
19 . 1 1 23 ARG C 1 1 24 GLU N 1 1 24 GLU CA 1 1 24 GLU C -100.0 -20.0 a 24 . C a 25 . N a 25 . CA a 25 . C 1 1
20 . 1 1 24 GLU C 1 1 25 GLN N 1 1 25 GLN CA 1 1 25 GLN C -100.0 -20.0 a 25 . C a 26 . N a 26 . CA a 26 . C 1 1
21 . 1 1 25 GLN C 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU C -100.0 -20.0 a 26 . C a 27 . N a 27 . CA a 27 . C 1 1
22 . 1 1 26 LEU C 1 1 27 LYS N 1 1 27 LYS CA 1 1 27 LYS C -100.0 -20.0 a 27 . C a 28 . N a 28 . CA a 28 . C 1 1
23 . 1 1 27 LYS C 1 1 28 HIS N 1 1 28 HIS CA 1 1 28 HIS C -100.0 -20.0 a 28 . C a 29 . N a 29 . CA a 29 . C 1 1
24 . 1 1 28 HIS C 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C -100.0 -20.0 a 29 . C a 30 . N a 30 . CA a 30 . C 1 1
25 . 1 1 29 LYS C 1 1 30 LEU N 1 1 30 LEU CA 1 1 30 LEU C -100.0 -20.0 a 30 . C a 31 . N a 31 . CA a 31 . C 1 1
26 . 1 1 30 LEU C 1 1 31 GLU N 1 1 31 GLU CA 1 1 31 GLU C -100.0 -20.0 a 31 . C a 32 . N a 32 . CA a 32 . C 1 1
27 . 1 1 31 GLU C 1 1 32 GLN N 1 1 32 GLN CA 1 1 32 GLN C -100.0 -20.0 a 32 . C a 33 . N a 33 . CA a 33 . C 1 1
28 . 2 2 5 MET C 2 2 6 ARG N 2 2 6 ARG CA 2 2 6 ARG C -100.0 -20.0 b 6 . C b 7 . N b 7 . CA b 7 . C 1 1
29 . 2 2 6 ARG C 2 2 7 ARG N 2 2 7 ARG CA 2 2 7 ARG C -100.0 -20.0 b 7 . C b 8 . N b 8 . CA b 8 . C 1 1
30 . 2 2 7 ARG C 2 2 8 LYS N 2 2 8 LYS CA 2 2 8 LYS C -100.0 -20.0 b 8 . C b 9 . N b 9 . CA b 9 . C 1 1
31 . 2 2 8 LYS C 2 2 9 ASN N 2 2 9 ASN CA 2 2 9 ASN C -100.0 -20.0 b 9 . C b 10 . N b 10 . CA b 10 . C 1 1
32 . 2 2 9 ASN C 2 2 10 ASP N 2 2 10 ASP CA 2 2 10 ASP C -100.0 -20.0 b 10 . C b 11 . N b 11 . CA b 11 . C 1 1
33 . 2 2 10 ASP C 2 2 11 THR N 2 2 11 THR CA 2 2 11 THR C -100.0 -20.0 b 11 . C b 12 . N b 12 . CA b 12 . C 1 1
34 . 2 2 11 THR C 2 2 12 HIS N 2 2 12 HIS CA 2 2 12 HIS C -100.0 -20.0 b 12 . C b 13 . N b 13 . CA b 13 . C 1 1
35 . 2 2 12 HIS C 2 2 13 GLN N 2 2 13 GLN CA 2 2 13 GLN C -100.0 -20.0 b 13 . C b 14 . N b 14 . CA b 14 . C 1 1
36 . 2 2 13 GLN C 2 2 14 GLN N 2 2 14 GLN CA 2 2 14 GLN C -100.0 -20.0 b 14 . C b 15 . N b 15 . CA b 15 . C 1 1
37 . 2 2 14 GLN C 2 2 15 ASP N 2 2 15 ASP CA 2 2 15 ASP C -100.0 -20.0 b 15 . C b 16 . N b 16 . CA b 16 . C 1 1
38 . 2 2 15 ASP C 2 2 16 ILE N 2 2 16 ILE CA 2 2 16 ILE C -100.0 -20.0 b 16 . C b 17 . N b 17 . CA b 17 . C 1 1
39 . 2 2 16 ILE C 2 2 17 ASP N 2 2 17 ASP CA 2 2 17 ASP C -100.0 -20.0 b 17 . C b 18 . N b 18 . CA b 18 . C 1 1
40 . 2 2 17 ASP C 2 2 18 ASP N 2 2 18 ASP CA 2 2 18 ASP C -100.0 -20.0 b 18 . C b 19 . N b 19 . CA b 19 . C 1 1
41 . 2 2 18 ASP C 2 2 19 LEU N 2 2 19 LEU CA 2 2 19 LEU C -100.0 -20.0 b 19 . C b 20 . N b 20 . CA b 20 . C 1 1
42 . 2 2 19 LEU C 2 2 20 LYS N 2 2 20 LYS CA 2 2 20 LYS C -100.0 -20.0 b 20 . C b 21 . N b 21 . CA b 21 . C 1 1
43 . 2 2 21 ARG C 2 2 22 GLN N 2 2 22 GLN CA 2 2 22 GLN C -100.0 -20.0 b 22 . C b 23 . N b 23 . CA b 23 . C 1 1
44 . 2 2 22 GLN C 2 2 23 ASN N 2 2 23 ASN CA 2 2 23 ASN C -100.0 -20.0 b 23 . C b 24 . N b 24 . CA b 24 . C 1 1
45 . 2 2 23 ASN C 2 2 24 ALA N 2 2 24 ALA CA 2 2 24 ALA C -100.0 -20.0 b 24 . C b 25 . N b 25 . CA b 25 . C 1 1
46 . 2 2 24 ALA C 2 2 25 LEU N 2 2 25 LEU CA 2 2 25 LEU C -100.0 -20.0 b 25 . C b 26 . N b 26 . CA b 26 . C 1 1
47 . 2 2 25 LEU C 2 2 26 LEU N 2 2 26 LEU CA 2 2 26 LEU C -100.0 -20.0 b 26 . C b 27 . N b 27 . CA b 27 . C 1 1
48 . 2 2 26 LEU C 2 2 27 GLU N 2 2 27 GLU CA 2 2 27 GLU C -100.0 -20.0 b 27 . C b 28 . N b 28 . CA b 28 . C 1 1
49 . 2 2 27 GLU C 2 2 28 GLN N 2 2 28 GLN CA 2 2 28 GLN C -100.0 -20.0 b 28 . C b 29 . N b 29 . CA b 29 . C 1 1
50 . 2 2 28 GLN C 2 2 29 GLN N 2 2 29 GLN CA 2 2 29 GLN C -100.0 -20.0 b 29 . C b 30 . N b 30 . CA b 30 . C 1 1
51 . 2 2 29 GLN C 2 2 30 VAL N 2 2 30 VAL CA 2 2 30 VAL C -100.0 -20.0 b 30 . C b 31 . N b 31 . CA b 31 . C 1 1
52 . 2 2 30 VAL C 2 2 31 ARG N 2 2 31 ARG CA 2 2 31 ARG C -100.0 -20.0 b 31 . C b 32 . N b 32 . CA b 32 . C 1 1
53 . 2 2 31 ARG C 2 2 32 ALA N 2 2 32 ALA CA 2 2 32 ALA C -100.0 -20.0 b 32 . C b 33 . N b 33 . CA b 33 . C 1 1
54 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU CB 1 1 12 LEU CG -100.0 -20.0 a 13 . N a 13 . CA a 13 . CB a 13 . CG 1 1
55 . 1 1 13 ILE N 1 1 13 ILE CA 1 1 13 ILE CB 1 1 13 ILE CG1 -100.0 -20.0 a 14 . N a 14 . CA a 14 . CB a 14 . CG1 1 1
56 . 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU CB 1 1 19 LEU CG -100.0 -20.0 a 20 . N a 20 . CA a 20 . CB a 20 . CG 1 1
57 . 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU CB 1 1 26 LEU CG -100.0 -20.0 a 27 . N a 27 . CA a 27 . CB a 27 . CG 1 1
58 . 1 1 33 LEU N 1 1 33 LEU CA 1 1 33 LEU CB 1 1 33 LEU CG -100.0 -20.0 a 34 . N a 34 . CA a 34 . CB a 34 . CG 1 1
59 . 2 2 9 ASN N 2 2 9 ASN CA 2 2 9 ASN CB 2 2 9 ASN CG -100.0 -20.0 b 10 . N b 10 . CA b 10 . CB b 10 . CG 1 1
60 . 2 2 12 HIS N 2 2 12 HIS CA 2 2 12 HIS CB 2 2 12 HIS CG -100.0 -20.0 b 13 . N b 13 . CA b 13 . CB b 13 . CG 1 1
61 . 2 2 15 ASP N 2 2 15 ASP CA 2 2 15 ASP CB 2 2 15 ASP CG 140.0 220.0 b 16 . N b 16 . CA b 16 . CB b 16 . CG 1 1
62 . 2 2 16 ILE N 2 2 16 ILE CA 2 2 16 ILE CB 2 2 16 ILE CG1 -100.0 -20.0 b 17 . N b 17 . CA b 17 . CB b 17 . CG1 1 1
63 . 2 2 17 ASP N 2 2 17 ASP CA 2 2 17 ASP CB 2 2 17 ASP CG -100.0 -20.0 b 18 . N b 18 . CA b 18 . CB b 18 . CG 1 1
64 . 2 2 18 ASP N 2 2 18 ASP CA 2 2 18 ASP CB 2 2 18 ASP CG 140.0 220.0 b 19 . N b 19 . CA b 19 . CB b 19 . CG 1 1
65 . 2 2 19 LEU N 2 2 19 LEU CA 2 2 19 LEU CB 2 2 19 LEU CG -100.0 -20.0 b 20 . N b 20 . CA b 20 . CB b 20 . CG 1 1
66 . 2 2 23 ASN N 2 2 23 ASN CA 2 2 23 ASN CB 2 2 23 ASN CG -100.0 -20.0 b 24 . N b 24 . CA b 24 . CB b 24 . CG 1 1
67 . 2 2 26 LEU N 2 2 26 LEU CA 2 2 26 LEU CB 2 2 26 LEU CG -100.0 -20.0 b 27 . N b 27 . CA b 27 . CB b 27 . CG 1 1
68 . 2 2 33 LEU N 2 2 33 LEU CA 2 2 33 LEU CB 2 2 33 LEU CG -100.0 -20.0 b 34 . N b 34 . CA b 34 . CB b 34 . CG 1 1
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 ACE C C 37.035 1.681 -5.527 1.00 . A A . 2 ACE C 1 1
1 2 1 1 1 ACE CH3 C 36.705 0.227 -5.205 1.00 . A A . 2 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 37.585 -0.264 -4.817 1.00 . A A . 2 ACE H1 1 1
1 4 1 1 1 ACE H2 H 36.379 -0.275 -6.104 1.00 . A A . 2 ACE H2 1 1
1 5 1 1 1 ACE H3 H 35.918 0.192 -4.466 1.00 . A A . 2 ACE H3 1 1
1 6 1 1 1 ACE O O 36.222 2.405 -6.102 1.00 . A A . 2 ACE O 1 1
1 7 1 1 2 CYS C C 39.052 3.647 -6.869 1.00 . A A . 3 CYS C 1 1
1 8 1 1 2 CYS CA C 38.673 3.471 -5.402 1.00 . A A . 3 CYS CA 1 1
1 9 1 1 2 CYS CB C 39.880 3.821 -4.530 1.00 . A A . 3 CYS CB 1 1
1 10 1 1 2 CYS H H 38.846 1.478 -4.695 1.00 . A A . 3 CYS H 1 1
1 11 1 1 2 CYS HA H 37.863 4.144 -5.165 1.00 . A A . 3 CYS HA 1 1
1 12 1 1 2 CYS HB2 H 40.707 3.175 -4.784 1.00 . A A . 3 CYS HB2 1 1
1 13 1 1 2 CYS HB3 H 40.160 4.850 -4.700 1.00 . A A . 3 CYS HB3 1 1
1 14 1 1 2 CYS N N 38.240 2.099 -5.150 1.00 . A A . 3 CYS N 1 1
1 15 1 1 2 CYS O O 39.919 2.945 -7.390 1.00 . A A . 3 CYS O 1 1
1 16 1 1 2 CYS SG S 39.450 3.592 -2.787 1.00 . A A . 3 CYS SG 1 1
1 17 1 1 3 GLY C C 39.468 6.147 -9.099 1.00 . A A . 4 GLY C 1 1
1 18 1 1 3 GLY CA C 38.666 4.861 -8.937 1.00 . A A . 4 GLY CA 1 1
1 19 1 1 3 GLY H H 37.712 5.124 -7.060 1.00 . A A . 4 GLY H 1 1
1 20 1 1 3 GLY HA2 H 39.226 4.036 -9.352 1.00 . A A . 4 GLY HA2 1 1
1 21 1 1 3 GLY HA3 H 37.731 4.960 -9.469 1.00 . A A . 4 GLY HA3 1 1
1 22 1 1 3 GLY N N 38.392 4.595 -7.528 1.00 . A A . 4 GLY N 1 1
1 23 1 1 3 GLY O O 40.471 6.185 -9.812 1.00 . A A . 4 GLY O 1 1
1 24 1 1 4 GLY C C 39.772 9.140 -7.121 1.00 . A A . 5 GLY C 1 1
1 25 1 1 4 GLY CA C 39.698 8.490 -8.498 1.00 . A A . 5 GLY CA 1 1
1 26 1 1 4 GLY H H 38.212 7.111 -7.872 1.00 . A A . 5 GLY H 1 1
1 27 1 1 4 GLY HA2 H 40.700 8.340 -8.877 1.00 . A A . 5 GLY HA2 1 1
1 28 1 1 4 GLY HA3 H 39.158 9.141 -9.168 1.00 . A A . 5 GLY HA3 1 1
1 29 1 1 4 GLY N N 39.016 7.201 -8.426 1.00 . A A . 5 GLY N 1 1
1 30 1 1 4 GLY O O 39.711 10.362 -6.992 1.00 . A A . 5 GLY O 1 1
1 31 1 1 5 VAL C C 41.330 9.486 -4.486 1.00 . A A . 6 VAL C 1 1
1 32 1 1 5 VAL CA C 39.984 8.808 -4.724 1.00 . A A . 6 VAL CA 1 1
1 33 1 1 5 VAL CB C 39.816 7.664 -3.720 1.00 . A A . 6 VAL CB 1 1
1 34 1 1 5 VAL CG1 C 39.702 8.236 -2.305 1.00 . A A . 6 VAL CG1 1 1
1 35 1 1 5 VAL CG2 C 38.547 6.874 -4.051 1.00 . A A . 6 VAL CG2 1 1
1 36 1 1 5 VAL H H 39.946 7.341 -6.257 1.00 . A A . 6 VAL H 1 1
1 37 1 1 5 VAL HA H 39.196 9.529 -4.567 1.00 . A A . 6 VAL HA 1 1
1 38 1 1 5 VAL HB H 40.674 7.009 -3.774 1.00 . A A . 6 VAL HB 1 1
1 39 1 1 5 VAL HG11 H 39.046 9.094 -2.316 1.00 . A A . 6 VAL HG11 1 1
1 40 1 1 5 VAL HG12 H 39.298 7.483 -1.644 1.00 . A A . 6 VAL HG12 1 1
1 41 1 1 5 VAL HG13 H 40.679 8.535 -1.958 1.00 . A A . 6 VAL HG13 1 1
1 42 1 1 5 VAL HG21 H 37.699 7.544 -4.063 1.00 . A A . 6 VAL HG21 1 1
1 43 1 1 5 VAL HG22 H 38.654 6.411 -5.021 1.00 . A A . 6 VAL HG22 1 1
1 44 1 1 5 VAL HG23 H 38.392 6.111 -3.302 1.00 . A A . 6 VAL HG23 1 1
1 45 1 1 5 VAL N N 39.903 8.306 -6.093 1.00 . A A . 6 VAL N 1 1
1 46 1 1 5 VAL O O 41.404 10.559 -3.887 1.00 . A A . 6 VAL O 1 1
1 47 1 1 6 GLN C C 43.865 10.723 -5.534 1.00 . A A . 7 GLN C 1 1
1 48 1 1 6 GLN CA C 43.738 9.393 -4.798 1.00 . A A . 7 GLN CA 1 1
1 49 1 1 6 GLN CB C 44.784 8.420 -5.345 1.00 . A A . 7 GLN CB 1 1
1 50 1 1 6 GLN CD C 46.291 6.557 -4.650 1.00 . A A . 7 GLN CD 1 1
1 51 1 1 6 GLN CG C 44.972 7.265 -4.359 1.00 . A A . 7 GLN CG 1 1
1 52 1 1 6 GLN H H 42.275 7.993 -5.431 1.00 . A A . 7 GLN H 1 1
1 53 1 1 6 GLN HA H 43.926 9.553 -3.747 1.00 . A A . 7 GLN HA 1 1
1 54 1 1 6 GLN HB2 H 44.451 8.032 -6.297 1.00 . A A . 7 GLN HB2 1 1
1 55 1 1 6 GLN HB3 H 45.723 8.936 -5.475 1.00 . A A . 7 GLN HB3 1 1
1 56 1 1 6 GLN HE21 H 45.622 4.775 -4.085 1.00 . A A . 7 GLN HE21 1 1
1 57 1 1 6 GLN HE22 H 47.234 4.809 -4.616 1.00 . A A . 7 GLN HE22 1 1
1 58 1 1 6 GLN HG2 H 44.984 7.651 -3.350 1.00 . A A . 7 GLN HG2 1 1
1 59 1 1 6 GLN HG3 H 44.158 6.564 -4.466 1.00 . A A . 7 GLN HG3 1 1
1 60 1 1 6 GLN N N 42.394 8.845 -4.962 1.00 . A A . 7 GLN N 1 1
1 61 1 1 6 GLN NE2 N 46.390 5.274 -4.432 1.00 . A A . 7 GLN NE2 1 1
1 62 1 1 6 GLN O O 44.421 11.688 -5.010 1.00 . A A . 7 GLN O 1 1
1 63 1 1 6 GLN OE1 O 47.256 7.183 -5.087 1.00 . A A . 7 GLN OE1 1 1
1 64 1 1 7 ALA C C 42.637 13.108 -6.875 1.00 . A A . 8 ALA C 1 1
1 65 1 1 7 ALA CA C 43.400 11.979 -7.561 1.00 . A A . 8 ALA CA 1 1
1 66 1 1 7 ALA CB C 42.793 11.737 -8.944 1.00 . A A . 8 ALA CB 1 1
1 67 1 1 7 ALA H H 42.910 9.962 -7.122 1.00 . A A . 8 ALA H 1 1
1 68 1 1 7 ALA HA H 44.432 12.273 -7.679 1.00 . A A . 8 ALA HA 1 1
1 69 1 1 7 ALA HB1 H 41.933 11.090 -8.851 1.00 . A A . 8 ALA HB1 1 1
1 70 1 1 7 ALA HB2 H 42.489 12.680 -9.374 1.00 . A A . 8 ALA HB2 1 1
1 71 1 1 7 ALA HB3 H 43.528 11.270 -9.583 1.00 . A A . 8 ALA HB3 1 1
1 72 1 1 7 ALA N N 43.341 10.762 -6.756 1.00 . A A . 8 ALA N 1 1
1 73 1 1 7 ALA O O 43.124 14.234 -6.774 1.00 . A A . 8 ALA O 1 1
1 74 1 1 8 GLU C C 41.242 14.192 -4.400 1.00 . A A . 9 GLU C 1 1
1 75 1 1 8 GLU CA C 40.607 13.787 -5.726 1.00 . A A . 9 GLU CA 1 1
1 76 1 1 8 GLU CB C 39.208 13.228 -5.458 1.00 . A A . 9 GLU CB 1 1
1 77 1 1 8 GLU CD C 36.856 13.204 -6.288 1.00 . A A . 9 GLU CD 1 1
1 78 1 1 8 GLU CG C 38.300 13.531 -6.651 1.00 . A A . 9 GLU CG 1 1
1 79 1 1 8 GLU H H 41.098 11.878 -6.512 1.00 . A A . 9 GLU H 1 1
1 80 1 1 8 GLU HA H 40.520 14.659 -6.355 1.00 . A A . 9 GLU HA 1 1
1 81 1 1 8 GLU HB2 H 39.270 12.159 -5.313 1.00 . A A . 9 GLU HB2 1 1
1 82 1 1 8 GLU HB3 H 38.800 13.689 -4.571 1.00 . A A . 9 GLU HB3 1 1
1 83 1 1 8 GLU HG2 H 38.379 14.577 -6.907 1.00 . A A . 9 GLU HG2 1 1
1 84 1 1 8 GLU HG3 H 38.602 12.929 -7.495 1.00 . A A . 9 GLU HG3 1 1
1 85 1 1 8 GLU N N 41.434 12.792 -6.403 1.00 . A A . 9 GLU N 1 1
1 86 1 1 8 GLU O O 41.231 15.364 -4.022 1.00 . A A . 9 GLU O 1 1
1 87 1 1 8 GLU OE1 O 36.201 14.059 -5.714 1.00 . A A . 9 GLU OE1 1 1
1 88 1 1 8 GLU OE2 O 36.424 12.103 -6.588 1.00 . A A . 9 GLU OE2 1 1
1 89 1 1 9 GLU C C 43.713 14.284 -2.610 1.00 . A A . 10 GLU C 1 1
1 90 1 1 9 GLU CA C 42.438 13.470 -2.412 1.00 . A A . 10 GLU CA 1 1
1 91 1 1 9 GLU CB C 42.789 12.156 -1.710 1.00 . A A . 10 GLU CB 1 1
1 92 1 1 9 GLU CD C 43.621 11.197 0.437 1.00 . A A . 10 GLU CD 1 1
1 93 1 1 9 GLU CG C 42.961 12.409 -0.211 1.00 . A A . 10 GLU CG 1 1
1 94 1 1 9 GLU H H 41.776 12.293 -4.050 1.00 . A A . 10 GLU H 1 1
1 95 1 1 9 GLU HA H 41.758 14.029 -1.788 1.00 . A A . 10 GLU HA 1 1
1 96 1 1 9 GLU HB2 H 41.994 11.442 -1.867 1.00 . A A . 10 GLU HB2 1 1
1 97 1 1 9 GLU HB3 H 43.710 11.766 -2.116 1.00 . A A . 10 GLU HB3 1 1
1 98 1 1 9 GLU HG2 H 43.582 13.280 -0.063 1.00 . A A . 10 GLU HG2 1 1
1 99 1 1 9 GLU HG3 H 41.995 12.574 0.240 1.00 . A A . 10 GLU HG3 1 1
1 100 1 1 9 GLU N N 41.797 13.208 -3.698 1.00 . A A . 10 GLU N 1 1
1 101 1 1 9 GLU O O 43.997 15.214 -1.855 1.00 . A A . 10 GLU O 1 1
1 102 1 1 9 GLU OE1 O 44.823 11.051 0.288 1.00 . A A . 10 GLU OE1 1 1
1 103 1 1 9 GLU OE2 O 42.915 10.431 1.073 1.00 . A A . 10 GLU OE2 1 1
1 104 1 1 10 GLN C C 45.447 16.085 -4.265 1.00 . A A . 11 GLN C 1 1
1 105 1 1 10 GLN CA C 45.725 14.624 -3.929 1.00 . A A . 11 GLN CA 1 1
1 106 1 1 10 GLN CB C 46.444 13.969 -5.110 1.00 . A A . 11 GLN CB 1 1
1 107 1 1 10 GLN CD C 48.713 13.330 -5.928 1.00 . A A . 11 GLN CD 1 1
1 108 1 1 10 GLN CG C 47.935 14.307 -5.052 1.00 . A A . 11 GLN CG 1 1
1 109 1 1 10 GLN H H 44.202 13.172 -4.203 1.00 . A A . 11 GLN H 1 1
1 110 1 1 10 GLN HA H 46.367 14.578 -3.061 1.00 . A A . 11 GLN HA 1 1
1 111 1 1 10 GLN HB2 H 46.315 12.897 -5.061 1.00 . A A . 11 GLN HB2 1 1
1 112 1 1 10 GLN HB3 H 46.028 14.340 -6.035 1.00 . A A . 11 GLN HB3 1 1
1 113 1 1 10 GLN HE21 H 49.572 14.760 -7.005 1.00 . A A . 11 GLN HE21 1 1
1 114 1 1 10 GLN HE22 H 49.995 13.174 -7.436 1.00 . A A . 11 GLN HE22 1 1
1 115 1 1 10 GLN HG2 H 48.090 15.314 -5.410 1.00 . A A . 11 GLN HG2 1 1
1 116 1 1 10 GLN HG3 H 48.283 14.229 -4.033 1.00 . A A . 11 GLN HG3 1 1
1 117 1 1 10 GLN N N 44.479 13.921 -3.635 1.00 . A A . 11 GLN N 1 1
1 118 1 1 10 GLN NE2 N 49.491 13.793 -6.868 1.00 . A A . 11 GLN NE2 1 1
1 119 1 1 10 GLN O O 46.245 16.971 -3.957 1.00 . A A . 11 GLN O 1 1
1 120 1 1 10 GLN OE1 O 48.611 12.116 -5.756 1.00 . A A . 11 GLN OE1 1 1
1 121 1 1 11 LYS C C 43.415 18.452 -4.064 1.00 . A A . 12 LYS C 1 1
1 122 1 1 11 LYS CA C 43.926 17.685 -5.279 1.00 . A A . 12 LYS CA 1 1
1 123 1 1 11 LYS CB C 42.832 17.660 -6.349 1.00 . A A . 12 LYS CB 1 1
1 124 1 1 11 LYS CD C 41.640 19.009 -8.082 1.00 . A A . 12 LYS CD 1 1
1 125 1 1 11 LYS CE C 42.107 18.147 -9.256 1.00 . A A . 12 LYS CE 1 1
1 126 1 1 11 LYS CG C 42.727 19.038 -7.005 1.00 . A A . 12 LYS CG 1 1
1 127 1 1 11 LYS H H 43.709 15.580 -5.122 1.00 . A A . 12 LYS H 1 1
1 128 1 1 11 LYS HA H 44.792 18.193 -5.677 1.00 . A A . 12 LYS HA 1 1
1 129 1 1 11 LYS HB2 H 43.079 16.921 -7.098 1.00 . A A . 12 LYS HB2 1 1
1 130 1 1 11 LYS HB3 H 41.887 17.408 -5.891 1.00 . A A . 12 LYS HB3 1 1
1 131 1 1 11 LYS HD2 H 40.734 18.593 -7.667 1.00 . A A . 12 LYS HD2 1 1
1 132 1 1 11 LYS HD3 H 41.451 20.014 -8.428 1.00 . A A . 12 LYS HD3 1 1
1 133 1 1 11 LYS HE2 H 43.180 18.224 -9.355 1.00 . A A . 12 LYS HE2 1 1
1 134 1 1 11 LYS HE3 H 41.835 17.117 -9.078 1.00 . A A . 12 LYS HE3 1 1
1 135 1 1 11 LYS HG2 H 42.473 19.774 -6.256 1.00 . A A . 12 LYS HG2 1 1
1 136 1 1 11 LYS HG3 H 43.673 19.295 -7.457 1.00 . A A . 12 LYS HG3 1 1
1 137 1 1 11 LYS HZ1 H 40.464 18.857 -10.319 1.00 . A A . 12 LYS HZ1 1 1
1 138 1 1 11 LYS HZ2 H 41.954 19.469 -10.858 1.00 . A A . 12 LYS HZ2 1 1
1 139 1 1 11 LYS HZ3 H 41.503 17.874 -11.230 1.00 . A A . 12 LYS HZ3 1 1
1 140 1 1 11 LYS N N 44.305 16.326 -4.902 1.00 . A A . 12 LYS N 1 1
1 141 1 1 11 LYS NZ N 41.458 18.623 -10.510 1.00 . A A . 12 LYS NZ 1 1
1 142 1 1 11 LYS O O 43.696 19.639 -3.898 1.00 . A A . 12 LYS O 1 1
1 143 1 1 12 LEU C C 43.237 18.861 -1.101 1.00 . A A . 13 LEU C 1 1
1 144 1 1 12 LEU CA C 42.112 18.382 -2.014 1.00 . A A . 13 LEU CA 1 1
1 145 1 1 12 LEU CB C 41.238 17.387 -1.247 1.00 . A A . 13 LEU CB 1 1
1 146 1 1 12 LEU CD1 C 39.086 16.123 -1.379 1.00 . A A . 13 LEU CD1 1 1
1 147 1 1 12 LEU CD2 C 39.070 18.621 -1.388 1.00 . A A . 13 LEU CD2 1 1
1 148 1 1 12 LEU CG C 39.831 17.375 -1.847 1.00 . A A . 13 LEU CG 1 1
1 149 1 1 12 LEU H H 42.471 16.815 -3.400 1.00 . A A . 13 LEU H 1 1
1 150 1 1 12 LEU HA H 41.508 19.229 -2.302 1.00 . A A . 13 LEU HA 1 1
1 151 1 1 12 LEU HB2 H 41.669 16.399 -1.319 1.00 . A A . 13 LEU HB2 1 1
1 152 1 1 12 LEU HB3 H 41.182 17.682 -0.210 1.00 . A A . 13 LEU HB3 1 1
1 153 1 1 12 LEU HD11 H 39.696 15.251 -1.565 1.00 . A A . 13 LEU HD11 1 1
1 154 1 1 12 LEU HD12 H 38.882 16.201 -0.321 1.00 . A A . 13 LEU HD12 1 1
1 155 1 1 12 LEU HD13 H 38.156 16.034 -1.920 1.00 . A A . 13 LEU HD13 1 1
1 156 1 1 12 LEU HD21 H 39.467 18.958 -0.443 1.00 . A A . 13 LEU HD21 1 1
1 157 1 1 12 LEU HD22 H 39.182 19.403 -2.125 1.00 . A A . 13 LEU HD22 1 1
1 158 1 1 12 LEU HD23 H 38.023 18.382 -1.274 1.00 . A A . 13 LEU HD23 1 1
1 159 1 1 12 LEU HG H 39.900 17.370 -2.926 1.00 . A A . 13 LEU HG 1 1
1 160 1 1 12 LEU N N 42.661 17.759 -3.216 1.00 . A A . 13 LEU N 1 1
1 161 1 1 12 LEU O O 43.164 19.941 -0.515 1.00 . A A . 13 LEU O 1 1
1 162 1 1 13 ILE C C 46.143 19.610 -0.710 1.00 . A A . 14 ILE C 1 1
1 163 1 1 13 ILE CA C 45.422 18.389 -0.146 1.00 . A A . 14 ILE CA 1 1
1 164 1 1 13 ILE CB C 46.405 17.215 -0.067 1.00 . A A . 14 ILE CB 1 1
1 165 1 1 13 ILE CD1 C 46.295 14.721 -0.206 1.00 . A A . 14 ILE CD1 1 1
1 166 1 1 13 ILE CG1 C 45.668 15.965 0.424 1.00 . A A . 14 ILE CG1 1 1
1 167 1 1 13 ILE CG2 C 47.544 17.549 0.906 1.00 . A A . 14 ILE CG2 1 1
1 168 1 1 13 ILE H H 44.283 17.195 -1.481 1.00 . A A . 14 ILE H 1 1
1 169 1 1 13 ILE HA H 45.068 18.618 0.848 1.00 . A A . 14 ILE HA 1 1
1 170 1 1 13 ILE HB H 46.817 17.027 -1.048 1.00 . A A . 14 ILE HB 1 1
1 171 1 1 13 ILE HD11 H 46.761 14.987 -1.143 1.00 . A A . 14 ILE HD11 1 1
1 172 1 1 13 ILE HD12 H 47.039 14.314 0.463 1.00 . A A . 14 ILE HD12 1 1
1 173 1 1 13 ILE HD13 H 45.528 13.981 -0.383 1.00 . A A . 14 ILE HD13 1 1
1 174 1 1 13 ILE HG12 H 45.745 15.903 1.500 1.00 . A A . 14 ILE HG12 1 1
1 175 1 1 13 ILE HG13 H 44.628 16.024 0.141 1.00 . A A . 14 ILE HG13 1 1
1 176 1 1 13 ILE HG21 H 47.621 18.620 1.018 1.00 . A A . 14 ILE HG21 1 1
1 177 1 1 13 ILE HG22 H 47.342 17.101 1.868 1.00 . A A . 14 ILE HG22 1 1
1 178 1 1 13 ILE HG23 H 48.474 17.161 0.517 1.00 . A A . 14 ILE HG23 1 1
1 179 1 1 13 ILE N N 44.280 18.043 -0.989 1.00 . A A . 14 ILE N 1 1
1 180 1 1 13 ILE O O 46.346 20.606 -0.015 1.00 . A A . 14 ILE O 1 1
1 181 1 1 14 SER C C 46.398 21.890 -2.614 1.00 . A A . 15 SER C 1 1
1 182 1 1 14 SER CA C 47.243 20.618 -2.630 1.00 . A A . 15 SER CA 1 1
1 183 1 1 14 SER CB C 47.572 20.258 -4.078 1.00 . A A . 15 SER CB 1 1
1 184 1 1 14 SER H H 46.350 18.698 -2.481 1.00 . A A . 15 SER H 1 1
1 185 1 1 14 SER HA H 48.164 20.801 -2.097 1.00 . A A . 15 SER HA 1 1
1 186 1 1 14 SER HB2 H 46.709 20.428 -4.699 1.00 . A A . 15 SER HB2 1 1
1 187 1 1 14 SER HB3 H 48.390 20.877 -4.425 1.00 . A A . 15 SER HB3 1 1
1 188 1 1 14 SER HG H 47.475 18.494 -4.895 1.00 . A A . 15 SER HG 1 1
1 189 1 1 14 SER N N 46.534 19.519 -1.978 1.00 . A A . 15 SER N 1 1
1 190 1 1 14 SER O O 46.916 22.993 -2.439 1.00 . A A . 15 SER O 1 1
1 191 1 1 14 SER OG O 47.937 18.886 -4.150 1.00 . A A . 15 SER OG 1 1
1 192 1 1 15 GLU C C 44.067 23.452 -1.398 1.00 . A A . 16 GLU C 1 1
1 193 1 1 15 GLU CA C 44.181 22.864 -2.800 1.00 . A A . 16 GLU CA 1 1
1 194 1 1 15 GLU CB C 42.791 22.441 -3.279 1.00 . A A . 16 GLU CB 1 1
1 195 1 1 15 GLU CD C 40.773 23.223 -4.520 1.00 . A A . 16 GLU CD 1 1
1 196 1 1 15 GLU CG C 42.028 23.670 -3.778 1.00 . A A . 16 GLU CG 1 1
1 197 1 1 15 GLU H H 44.735 20.819 -2.930 1.00 . A A . 16 GLU H 1 1
1 198 1 1 15 GLU HA H 44.567 23.619 -3.468 1.00 . A A . 16 GLU HA 1 1
1 199 1 1 15 GLU HB2 H 42.890 21.727 -4.083 1.00 . A A . 16 GLU HB2 1 1
1 200 1 1 15 GLU HB3 H 42.250 21.991 -2.461 1.00 . A A . 16 GLU HB3 1 1
1 201 1 1 15 GLU HG2 H 41.749 24.287 -2.936 1.00 . A A . 16 GLU HG2 1 1
1 202 1 1 15 GLU HG3 H 42.657 24.237 -4.448 1.00 . A A . 16 GLU HG3 1 1
1 203 1 1 15 GLU N N 45.092 21.722 -2.797 1.00 . A A . 16 GLU N 1 1
1 204 1 1 15 GLU O O 44.035 24.670 -1.219 1.00 . A A . 16 GLU O 1 1
1 205 1 1 15 GLU OE1 O 40.896 22.390 -5.404 1.00 . A A . 16 GLU OE1 1 1
1 206 1 1 15 GLU OE2 O 39.708 23.719 -4.194 1.00 . A A . 16 GLU OE2 1 1
1 207 1 1 16 GLU C C 45.185 23.700 1.424 1.00 . A A . 17 GLU C 1 1
1 208 1 1 16 GLU CA C 43.898 23.010 0.985 1.00 . A A . 17 GLU CA 1 1
1 209 1 1 16 GLU CB C 43.632 21.817 1.906 1.00 . A A . 17 GLU CB 1 1
1 210 1 1 16 GLU CD C 43.743 21.284 4.340 1.00 . A A . 17 GLU CD 1 1
1 211 1 1 16 GLU CG C 43.302 22.321 3.312 1.00 . A A . 17 GLU CG 1 1
1 212 1 1 16 GLU H H 44.039 21.613 -0.605 1.00 . A A . 17 GLU H 1 1
1 213 1 1 16 GLU HA H 43.079 23.707 1.070 1.00 . A A . 17 GLU HA 1 1
1 214 1 1 16 GLU HB2 H 42.799 21.246 1.522 1.00 . A A . 17 GLU HB2 1 1
1 215 1 1 16 GLU HB3 H 44.511 21.191 1.947 1.00 . A A . 17 GLU HB3 1 1
1 216 1 1 16 GLU HG2 H 43.821 23.251 3.492 1.00 . A A . 17 GLU HG2 1 1
1 217 1 1 16 GLU HG3 H 42.238 22.480 3.398 1.00 . A A . 17 GLU HG3 1 1
1 218 1 1 16 GLU N N 44.007 22.571 -0.403 1.00 . A A . 17 GLU N 1 1
1 219 1 1 16 GLU O O 45.157 24.746 2.072 1.00 . A A . 17 GLU O 1 1
1 220 1 1 16 GLU OE1 O 44.915 21.276 4.679 1.00 . A A . 17 GLU OE1 1 1
1 221 1 1 16 GLU OE2 O 42.902 20.514 4.773 1.00 . A A . 17 GLU OE2 1 1
1 222 1 1 17 ASP C C 47.785 25.044 0.784 1.00 . A A . 18 ASP C 1 1
1 223 1 1 17 ASP CA C 47.615 23.666 1.416 1.00 . A A . 18 ASP CA 1 1
1 224 1 1 17 ASP CB C 48.747 22.754 0.936 1.00 . A A . 18 ASP CB 1 1
1 225 1 1 17 ASP CG C 49.995 23.005 1.775 1.00 . A A . 18 ASP CG 1 1
1 226 1 1 17 ASP H H 46.277 22.270 0.541 1.00 . A A . 18 ASP H 1 1
1 227 1 1 17 ASP HA H 47.675 23.762 2.490 1.00 . A A . 18 ASP HA 1 1
1 228 1 1 17 ASP HB2 H 48.445 21.722 1.038 1.00 . A A . 18 ASP HB2 1 1
1 229 1 1 17 ASP HB3 H 48.964 22.964 -0.101 1.00 . A A . 18 ASP HB3 1 1
1 230 1 1 17 ASP N N 46.316 23.101 1.059 1.00 . A A . 18 ASP N 1 1
1 231 1 1 17 ASP O O 48.420 25.931 1.354 1.00 . A A . 18 ASP O 1 1
1 232 1 1 17 ASP OD1 O 50.592 24.057 1.612 1.00 . A A . 18 ASP OD1 1 1
1 233 1 1 17 ASP OD2 O 50.335 22.143 2.568 1.00 . A A . 18 ASP OD2 1 1
1 234 1 1 18 LEU C C 46.622 27.589 -0.290 1.00 . A A . 19 LEU C 1 1
1 235 1 1 18 LEU CA C 47.292 26.489 -1.107 1.00 . A A . 19 LEU CA 1 1
1 236 1 1 18 LEU CB C 46.611 26.395 -2.473 1.00 . A A . 19 LEU CB 1 1
1 237 1 1 18 LEU CD1 C 46.945 26.917 -4.894 1.00 . A A . 19 LEU CD1 1 1
1 238 1 1 18 LEU CD2 C 46.926 28.761 -3.209 1.00 . A A . 19 LEU CD2 1 1
1 239 1 1 18 LEU CG C 47.331 27.308 -3.467 1.00 . A A . 19 LEU CG 1 1
1 240 1 1 18 LEU H H 46.709 24.471 -0.807 1.00 . A A . 19 LEU H 1 1
1 241 1 1 18 LEU HA H 48.332 26.740 -1.250 1.00 . A A . 19 LEU HA 1 1
1 242 1 1 18 LEU HB2 H 46.651 25.375 -2.826 1.00 . A A . 19 LEU HB2 1 1
1 243 1 1 18 LEU HB3 H 45.580 26.706 -2.384 1.00 . A A . 19 LEU HB3 1 1
1 244 1 1 18 LEU HD11 H 47.192 25.879 -5.062 1.00 . A A . 19 LEU HD11 1 1
1 245 1 1 18 LEU HD12 H 45.884 27.062 -5.032 1.00 . A A . 19 LEU HD12 1 1
1 246 1 1 18 LEU HD13 H 47.487 27.534 -5.595 1.00 . A A . 19 LEU HD13 1 1
1 247 1 1 18 LEU HD21 H 45.858 28.816 -3.059 1.00 . A A . 19 LEU HD21 1 1
1 248 1 1 18 LEU HD22 H 47.432 29.126 -2.327 1.00 . A A . 19 LEU HD22 1 1
1 249 1 1 18 LEU HD23 H 47.201 29.368 -4.059 1.00 . A A . 19 LEU HD23 1 1
1 250 1 1 18 LEU HG H 48.399 27.203 -3.342 1.00 . A A . 19 LEU HG 1 1
1 251 1 1 18 LEU N N 47.205 25.213 -0.402 1.00 . A A . 19 LEU N 1 1
1 252 1 1 18 LEU O O 47.159 28.686 -0.141 1.00 . A A . 19 LEU O 1 1
1 253 1 1 19 LEU C C 45.447 28.521 2.350 1.00 . A A . 20 LEU C 1 1
1 254 1 1 19 LEU CA C 44.704 28.245 1.047 1.00 . A A . 20 LEU CA 1 1
1 255 1 1 19 LEU CB C 43.306 27.716 1.370 1.00 . A A . 20 LEU CB 1 1
1 256 1 1 19 LEU CD1 C 41.167 27.156 0.207 1.00 . A A . 20 LEU CD1 1 1
1 257 1 1 19 LEU CD2 C 41.788 29.544 0.598 1.00 . A A . 20 LEU CD2 1 1
1 258 1 1 19 LEU CG C 42.329 28.149 0.276 1.00 . A A . 20 LEU CG 1 1
1 259 1 1 19 LEU H H 45.065 26.387 0.090 1.00 . A A . 20 LEU H 1 1
1 260 1 1 19 LEU HA H 44.611 29.167 0.493 1.00 . A A . 20 LEU HA 1 1
1 261 1 1 19 LEU HB2 H 43.333 26.637 1.424 1.00 . A A . 20 LEU HB2 1 1
1 262 1 1 19 LEU HB3 H 42.980 28.116 2.319 1.00 . A A . 20 LEU HB3 1 1
1 263 1 1 19 LEU HD11 H 41.555 26.149 0.167 1.00 . A A . 20 LEU HD11 1 1
1 264 1 1 19 LEU HD12 H 40.546 27.268 1.084 1.00 . A A . 20 LEU HD12 1 1
1 265 1 1 19 LEU HD13 H 40.578 27.351 -0.677 1.00 . A A . 20 LEU HD13 1 1
1 266 1 1 19 LEU HD21 H 42.551 30.118 1.103 1.00 . A A . 20 LEU HD21 1 1
1 267 1 1 19 LEU HD22 H 41.510 30.043 -0.318 1.00 . A A . 20 LEU HD22 1 1
1 268 1 1 19 LEU HD23 H 40.922 29.455 1.237 1.00 . A A . 20 LEU HD23 1 1
1 269 1 1 19 LEU HG H 42.841 28.169 -0.676 1.00 . A A . 20 LEU HG 1 1
1 270 1 1 19 LEU N N 45.443 27.279 0.240 1.00 . A A . 20 LEU N 1 1
1 271 1 1 19 LEU O O 45.408 29.630 2.883 1.00 . A A . 20 LEU O 1 1
1 272 1 1 20 ARG C C 48.012 28.641 3.924 1.00 . A A . 21 ARG C 1 1
1 273 1 1 20 ARG CA C 46.882 27.632 4.099 1.00 . A A . 21 ARG CA 1 1
1 274 1 1 20 ARG CB C 47.476 26.285 4.517 1.00 . A A . 21 ARG CB 1 1
1 275 1 1 20 ARG CD C 46.845 23.995 5.298 1.00 . A A . 21 ARG CD 1 1
1 276 1 1 20 ARG CG C 46.413 25.462 5.247 1.00 . A A . 21 ARG CG 1 1
1 277 1 1 20 ARG CZ C 48.688 22.688 6.260 1.00 . A A . 21 ARG CZ 1 1
1 278 1 1 20 ARG H H 46.124 26.635 2.388 1.00 . A A . 21 ARG H 1 1
1 279 1 1 20 ARG HA H 46.218 27.978 4.877 1.00 . A A . 21 ARG HA 1 1
1 280 1 1 20 ARG HB2 H 47.807 25.750 3.639 1.00 . A A . 21 ARG HB2 1 1
1 281 1 1 20 ARG HB3 H 48.315 26.451 5.176 1.00 . A A . 21 ARG HB3 1 1
1 282 1 1 20 ARG HD2 H 46.147 23.439 5.904 1.00 . A A . 21 ARG HD2 1 1
1 283 1 1 20 ARG HD3 H 46.844 23.591 4.296 1.00 . A A . 21 ARG HD3 1 1
1 284 1 1 20 ARG HE H 48.735 24.675 5.977 1.00 . A A . 21 ARG HE 1 1
1 285 1 1 20 ARG HG2 H 46.296 25.838 6.253 1.00 . A A . 21 ARG HG2 1 1
1 286 1 1 20 ARG HG3 H 45.473 25.541 4.722 1.00 . A A . 21 ARG HG3 1 1
1 287 1 1 20 ARG HH11 H 47.070 21.604 5.759 1.00 . A A . 21 ARG HH11 1 1
1 288 1 1 20 ARG HH12 H 48.388 20.713 6.439 1.00 . A A . 21 ARG HH12 1 1
1 289 1 1 20 ARG HH21 H 50.429 23.476 6.859 1.00 . A A . 21 ARG HH21 1 1
1 290 1 1 20 ARG HH22 H 50.275 21.762 7.057 1.00 . A A . 21 ARG HH22 1 1
1 291 1 1 20 ARG N N 46.128 27.495 2.857 1.00 . A A . 21 ARG N 1 1
1 292 1 1 20 ARG NE N 48.187 23.870 5.873 1.00 . A A . 21 ARG NE 1 1
1 293 1 1 20 ARG NH1 N 47.993 21.582 6.143 1.00 . A A . 21 ARG NH1 1 1
1 294 1 1 20 ARG NH2 N 49.891 22.638 6.764 1.00 . A A . 21 ARG NH2 1 1
1 295 1 1 20 ARG O O 48.294 29.441 4.817 1.00 . A A . 21 ARG O 1 1
1 296 1 1 21 LYS C C 49.250 30.948 2.428 1.00 . A A . 22 LYS C 1 1
1 297 1 1 21 LYS CA C 49.756 29.510 2.473 1.00 . A A . 22 LYS CA 1 1
1 298 1 1 21 LYS CB C 50.402 29.166 1.129 1.00 . A A . 22 LYS CB 1 1
1 299 1 1 21 LYS CD C 52.624 28.765 0.056 1.00 . A A . 22 LYS CD 1 1
1 300 1 1 21 LYS CE C 54.041 28.418 0.518 1.00 . A A . 22 LYS CE 1 1
1 301 1 1 21 LYS CG C 51.892 29.513 1.172 1.00 . A A . 22 LYS CG 1 1
1 302 1 1 21 LYS H H 48.386 27.936 2.087 1.00 . A A . 22 LYS H 1 1
1 303 1 1 21 LYS HA H 50.500 29.422 3.251 1.00 . A A . 22 LYS HA 1 1
1 304 1 1 21 LYS HB2 H 50.283 28.110 0.933 1.00 . A A . 22 LYS HB2 1 1
1 305 1 1 21 LYS HB3 H 49.925 29.734 0.344 1.00 . A A . 22 LYS HB3 1 1
1 306 1 1 21 LYS HD2 H 52.088 27.857 -0.180 1.00 . A A . 22 LYS HD2 1 1
1 307 1 1 21 LYS HD3 H 52.677 29.391 -0.822 1.00 . A A . 22 LYS HD3 1 1
1 308 1 1 21 LYS HE2 H 54.027 28.172 1.569 1.00 . A A . 22 LYS HE2 1 1
1 309 1 1 21 LYS HE3 H 54.405 27.571 -0.045 1.00 . A A . 22 LYS HE3 1 1
1 310 1 1 21 LYS HG2 H 52.017 30.577 1.036 1.00 . A A . 22 LYS HG2 1 1
1 311 1 1 21 LYS HG3 H 52.302 29.221 2.128 1.00 . A A . 22 LYS HG3 1 1
1 312 1 1 21 LYS HZ1 H 54.904 29.862 -0.709 1.00 . A A . 22 LYS HZ1 1 1
1 313 1 1 21 LYS HZ2 H 54.622 30.383 0.883 1.00 . A A . 22 LYS HZ2 1 1
1 314 1 1 21 LYS HZ3 H 55.912 29.331 0.547 1.00 . A A . 22 LYS HZ3 1 1
1 315 1 1 21 LYS N N 48.656 28.594 2.761 1.00 . A A . 22 LYS N 1 1
1 316 1 1 21 LYS NZ N 54.937 29.587 0.292 1.00 . A A . 22 LYS NZ 1 1
1 317 1 1 21 LYS O O 49.938 31.878 2.851 1.00 . A A . 22 LYS O 1 1
1 318 1 1 22 ARG C C 47.007 32.937 3.193 1.00 . A A . 23 ARG C 1 1
1 319 1 1 22 ARG CA C 47.440 32.447 1.815 1.00 . A A . 23 ARG CA 1 1
1 320 1 1 22 ARG CB C 46.221 32.422 0.890 1.00 . A A . 23 ARG CB 1 1
1 321 1 1 22 ARG CD C 44.535 33.891 -0.223 1.00 . A A . 23 ARG CD 1 1
1 322 1 1 22 ARG CG C 45.942 33.835 0.375 1.00 . A A . 23 ARG CG 1 1
1 323 1 1 22 ARG CZ C 44.836 35.649 -1.912 1.00 . A A . 23 ARG CZ 1 1
1 324 1 1 22 ARG H H 47.535 30.340 1.592 1.00 . A A . 23 ARG H 1 1
1 325 1 1 22 ARG HA H 48.170 33.132 1.411 1.00 . A A . 23 ARG HA 1 1
1 326 1 1 22 ARG HB2 H 46.417 31.765 0.055 1.00 . A A . 23 ARG HB2 1 1
1 327 1 1 22 ARG HB3 H 45.362 32.063 1.436 1.00 . A A . 23 ARG HB3 1 1
1 328 1 1 22 ARG HD2 H 44.452 33.156 -1.008 1.00 . A A . 23 ARG HD2 1 1
1 329 1 1 22 ARG HD3 H 43.812 33.670 0.549 1.00 . A A . 23 ARG HD3 1 1
1 330 1 1 22 ARG HE H 43.641 35.812 -0.307 1.00 . A A . 23 ARG HE 1 1
1 331 1 1 22 ARG HG2 H 46.015 34.537 1.193 1.00 . A A . 23 ARG HG2 1 1
1 332 1 1 22 ARG HG3 H 46.664 34.090 -0.385 1.00 . A A . 23 ARG HG3 1 1
1 333 1 1 22 ARG HH11 H 45.906 33.980 -2.248 1.00 . A A . 23 ARG HH11 1 1
1 334 1 1 22 ARG HH12 H 46.091 35.237 -3.421 1.00 . A A . 23 ARG HH12 1 1
1 335 1 1 22 ARG HH21 H 43.913 37.425 -1.860 1.00 . A A . 23 ARG HH21 1 1
1 336 1 1 22 ARG HH22 H 44.973 37.171 -3.205 1.00 . A A . 23 ARG HH22 1 1
1 337 1 1 22 ARG N N 48.037 31.118 1.911 1.00 . A A . 23 ARG N 1 1
1 338 1 1 22 ARG NE N 44.263 35.219 -0.778 1.00 . A A . 23 ARG NE 1 1
1 339 1 1 22 ARG NH1 N 45.677 34.894 -2.578 1.00 . A A . 23 ARG NH1 1 1
1 340 1 1 22 ARG NH2 N 44.552 36.841 -2.361 1.00 . A A . 23 ARG NH2 1 1
1 341 1 1 22 ARG O O 47.079 34.128 3.496 1.00 . A A . 23 ARG O 1 1
1 342 1 1 23 ARG C C 47.267 32.933 6.180 1.00 . A A . 24 ARG C 1 1
1 343 1 1 23 ARG CA C 46.113 32.345 5.373 1.00 . A A . 24 ARG CA 1 1
1 344 1 1 23 ARG CB C 45.583 31.104 6.095 1.00 . A A . 24 ARG CB 1 1
1 345 1 1 23 ARG CD C 43.591 30.525 7.487 1.00 . A A . 24 ARG CD 1 1
1 346 1 1 23 ARG CG C 44.723 31.533 7.285 1.00 . A A . 24 ARG CG 1 1
1 347 1 1 23 ARG CZ C 44.032 29.831 9.802 1.00 . A A . 24 ARG CZ 1 1
1 348 1 1 23 ARG H H 46.522 31.068 3.728 1.00 . A A . 24 ARG H 1 1
1 349 1 1 23 ARG HA H 45.322 33.076 5.308 1.00 . A A . 24 ARG HA 1 1
1 350 1 1 23 ARG HB2 H 44.986 30.518 5.410 1.00 . A A . 24 ARG HB2 1 1
1 351 1 1 23 ARG HB3 H 46.413 30.510 6.448 1.00 . A A . 24 ARG HB3 1 1
1 352 1 1 23 ARG HD2 H 42.727 30.842 6.925 1.00 . A A . 24 ARG HD2 1 1
1 353 1 1 23 ARG HD3 H 43.911 29.556 7.131 1.00 . A A . 24 ARG HD3 1 1
1 354 1 1 23 ARG HE H 42.382 30.808 9.206 1.00 . A A . 24 ARG HE 1 1
1 355 1 1 23 ARG HG2 H 45.335 31.572 8.175 1.00 . A A . 24 ARG HG2 1 1
1 356 1 1 23 ARG HG3 H 44.303 32.509 7.093 1.00 . A A . 24 ARG HG3 1 1
1 357 1 1 23 ARG HH11 H 45.483 29.346 8.496 1.00 . A A . 24 ARG HH11 1 1
1 358 1 1 23 ARG HH12 H 45.760 28.869 10.136 1.00 . A A . 24 ARG HH12 1 1
1 359 1 1 23 ARG HH21 H 42.784 30.168 11.331 1.00 . A A . 24 ARG HH21 1 1
1 360 1 1 23 ARG HH22 H 44.247 29.329 11.728 1.00 . A A . 24 ARG HH22 1 1
1 361 1 1 23 ARG N N 46.557 32.002 4.025 1.00 . A A . 24 ARG N 1 1
1 362 1 1 23 ARG NE N 43.233 30.427 8.905 1.00 . A A . 24 ARG NE 1 1
1 363 1 1 23 ARG NH1 N 45.182 29.308 9.448 1.00 . A A . 24 ARG NH1 1 1
1 364 1 1 23 ARG NH2 N 43.659 29.772 11.051 1.00 . A A . 24 ARG NH2 1 1
1 365 1 1 23 ARG O O 47.073 33.816 7.015 1.00 . A A . 24 ARG O 1 1
1 366 1 1 24 GLU C C 50.021 34.316 6.155 1.00 . A A . 25 GLU C 1 1
1 367 1 1 24 GLU CA C 49.655 32.912 6.625 1.00 . A A . 25 GLU CA 1 1
1 368 1 1 24 GLU CB C 50.842 31.979 6.379 1.00 . A A . 25 GLU CB 1 1
1 369 1 1 24 GLU CD C 52.154 30.109 7.380 1.00 . A A . 25 GLU CD 1 1
1 370 1 1 24 GLU CG C 50.816 30.839 7.399 1.00 . A A . 25 GLU CG 1 1
1 371 1 1 24 GLU H H 48.564 31.728 5.242 1.00 . A A . 25 GLU H 1 1
1 372 1 1 24 GLU HA H 49.446 32.939 7.684 1.00 . A A . 25 GLU HA 1 1
1 373 1 1 24 GLU HB2 H 50.778 31.571 5.381 1.00 . A A . 25 GLU HB2 1 1
1 374 1 1 24 GLU HB3 H 51.763 32.532 6.484 1.00 . A A . 25 GLU HB3 1 1
1 375 1 1 24 GLU HG2 H 50.640 31.243 8.386 1.00 . A A . 25 GLU HG2 1 1
1 376 1 1 24 GLU HG3 H 50.027 30.147 7.147 1.00 . A A . 25 GLU HG3 1 1
1 377 1 1 24 GLU N N 48.471 32.431 5.919 1.00 . A A . 25 GLU N 1 1
1 378 1 1 24 GLU O O 50.338 35.192 6.960 1.00 . A A . 25 GLU O 1 1
1 379 1 1 24 GLU OE1 O 52.482 29.541 6.351 1.00 . A A . 25 GLU OE1 1 1
1 380 1 1 24 GLU OE2 O 52.832 30.128 8.394 1.00 . A A . 25 GLU OE2 1 1
1 381 1 1 25 GLN C C 49.298 36.873 4.730 1.00 . A A . 26 GLN C 1 1
1 382 1 1 25 GLN CA C 50.304 35.822 4.271 1.00 . A A . 26 GLN CA 1 1
1 383 1 1 25 GLN CB C 50.295 35.757 2.743 1.00 . A A . 26 GLN CB 1 1
1 384 1 1 25 GLN CD C 51.784 35.515 0.756 1.00 . A A . 26 GLN CD 1 1
1 385 1 1 25 GLN CG C 51.639 35.223 2.246 1.00 . A A . 26 GLN CG 1 1
1 386 1 1 25 GLN H H 49.715 33.784 4.248 1.00 . A A . 26 GLN H 1 1
1 387 1 1 25 GLN HA H 51.290 36.112 4.602 1.00 . A A . 26 GLN HA 1 1
1 388 1 1 25 GLN HB2 H 49.502 35.100 2.415 1.00 . A A . 26 GLN HB2 1 1
1 389 1 1 25 GLN HB3 H 50.132 36.746 2.341 1.00 . A A . 26 GLN HB3 1 1
1 390 1 1 25 GLN HE21 H 53.511 36.472 0.967 1.00 . A A . 26 GLN HE21 1 1
1 391 1 1 25 GLN HE22 H 52.930 36.364 -0.625 1.00 . A A . 26 GLN HE22 1 1
1 392 1 1 25 GLN HG2 H 52.440 35.704 2.787 1.00 . A A . 26 GLN HG2 1 1
1 393 1 1 25 GLN HG3 H 51.685 34.156 2.407 1.00 . A A . 26 GLN HG3 1 1
1 394 1 1 25 GLN N N 49.975 34.519 4.842 1.00 . A A . 26 GLN N 1 1
1 395 1 1 25 GLN NE2 N 52.828 36.172 0.331 1.00 . A A . 26 GLN NE2 1 1
1 396 1 1 25 GLN O O 49.667 37.990 5.093 1.00 . A A . 26 GLN O 1 1
1 397 1 1 25 GLN OE1 O 50.927 35.138 -0.043 1.00 . A A . 26 GLN OE1 1 1
1 398 1 1 26 LEU C C 47.105 37.757 6.605 1.00 . A A . 27 LEU C 1 1
1 399 1 1 26 LEU CA C 46.963 37.418 5.125 1.00 . A A . 27 LEU CA 1 1
1 400 1 1 26 LEU CB C 45.588 36.793 4.887 1.00 . A A . 27 LEU CB 1 1
1 401 1 1 26 LEU CD1 C 44.172 35.728 3.125 1.00 . A A . 27 LEU CD1 1 1
1 402 1 1 26 LEU CD2 C 44.927 38.094 2.861 1.00 . A A . 27 LEU CD2 1 1
1 403 1 1 26 LEU CG C 45.316 36.710 3.384 1.00 . A A . 27 LEU CG 1 1
1 404 1 1 26 LEU H H 47.786 35.598 4.409 1.00 . A A . 27 LEU H 1 1
1 405 1 1 26 LEU HA H 47.039 38.327 4.547 1.00 . A A . 27 LEU HA 1 1
1 406 1 1 26 LEU HB2 H 45.566 35.800 5.313 1.00 . A A . 27 LEU HB2 1 1
1 407 1 1 26 LEU HB3 H 44.829 37.402 5.355 1.00 . A A . 27 LEU HB3 1 1
1 408 1 1 26 LEU HD11 H 44.350 34.815 3.676 1.00 . A A . 27 LEU HD11 1 1
1 409 1 1 26 LEU HD12 H 43.240 36.167 3.449 1.00 . A A . 27 LEU HD12 1 1
1 410 1 1 26 LEU HD13 H 44.119 35.507 2.070 1.00 . A A . 27 LEU HD13 1 1
1 411 1 1 26 LEU HD21 H 44.211 38.545 3.532 1.00 . A A . 27 LEU HD21 1 1
1 412 1 1 26 LEU HD22 H 45.807 38.717 2.802 1.00 . A A . 27 LEU HD22 1 1
1 413 1 1 26 LEU HD23 H 44.488 37.997 1.878 1.00 . A A . 27 LEU HD23 1 1
1 414 1 1 26 LEU HG H 46.206 36.367 2.877 1.00 . A A . 27 LEU HG 1 1
1 415 1 1 26 LEU N N 48.021 36.501 4.709 1.00 . A A . 27 LEU N 1 1
1 416 1 1 26 LEU O O 46.922 38.903 7.016 1.00 . A A . 27 LEU O 1 1
1 417 1 1 27 LYS C C 48.894 37.691 9.129 1.00 . A A . 28 LYS C 1 1
1 418 1 1 27 LYS CA C 47.598 36.940 8.840 1.00 . A A . 28 LYS CA 1 1
1 419 1 1 27 LYS CB C 47.630 35.592 9.564 1.00 . A A . 28 LYS CB 1 1
1 420 1 1 27 LYS CD C 47.491 34.474 11.794 1.00 . A A . 28 LYS CD 1 1
1 421 1 1 27 LYS CE C 46.529 34.439 12.983 1.00 . A A . 28 LYS CE 1 1
1 422 1 1 27 LYS CG C 47.337 35.802 11.050 1.00 . A A . 28 LYS CG 1 1
1 423 1 1 27 LYS H H 47.565 35.852 7.019 1.00 . A A . 28 LYS H 1 1
1 424 1 1 27 LYS HA H 46.766 37.517 9.214 1.00 . A A . 28 LYS HA 1 1
1 425 1 1 27 LYS HB2 H 46.884 34.937 9.137 1.00 . A A . 28 LYS HB2 1 1
1 426 1 1 27 LYS HB3 H 48.607 35.146 9.451 1.00 . A A . 28 LYS HB3 1 1
1 427 1 1 27 LYS HD2 H 47.266 33.658 11.123 1.00 . A A . 28 LYS HD2 1 1
1 428 1 1 27 LYS HD3 H 48.505 34.377 12.152 1.00 . A A . 28 LYS HD3 1 1
1 429 1 1 27 LYS HE2 H 46.546 35.393 13.489 1.00 . A A . 28 LYS HE2 1 1
1 430 1 1 27 LYS HE3 H 45.528 34.237 12.630 1.00 . A A . 28 LYS HE3 1 1
1 431 1 1 27 LYS HG2 H 48.030 36.525 11.455 1.00 . A A . 28 LYS HG2 1 1
1 432 1 1 27 LYS HG3 H 46.327 36.164 11.170 1.00 . A A . 28 LYS HG3 1 1
1 433 1 1 27 LYS HZ1 H 46.988 32.457 13.427 1.00 . A A . 28 LYS HZ1 1 1
1 434 1 1 27 LYS HZ2 H 47.887 33.593 14.315 1.00 . A A . 28 LYS HZ2 1 1
1 435 1 1 27 LYS HZ3 H 46.260 33.301 14.706 1.00 . A A . 28 LYS HZ3 1 1
1 436 1 1 27 LYS N N 47.433 36.744 7.402 1.00 . A A . 28 LYS N 1 1
1 437 1 1 27 LYS NZ N 46.948 33.367 13.929 1.00 . A A . 28 LYS NZ 1 1
1 438 1 1 27 LYS O O 48.981 38.463 10.085 1.00 . A A . 28 LYS O 1 1
1 439 1 1 28 HIS C C 51.042 39.627 8.331 1.00 . A A . 29 HIS C 1 1
1 440 1 1 28 HIS CA C 51.192 38.115 8.464 1.00 . A A . 29 HIS CA 1 1
1 441 1 1 28 HIS CB C 52.189 37.619 7.415 1.00 . A A . 29 HIS CB 1 1
1 442 1 1 28 HIS CD2 C 53.081 35.152 7.267 1.00 . A A . 29 HIS CD2 1 1
1 443 1 1 28 HIS CE1 C 53.815 34.961 9.296 1.00 . A A . 29 HIS CE1 1 1
1 444 1 1 28 HIS CG C 52.830 36.347 7.895 1.00 . A A . 29 HIS CG 1 1
1 445 1 1 28 HIS H H 49.773 36.831 7.548 1.00 . A A . 29 HIS H 1 1
1 446 1 1 28 HIS HA H 51.576 37.885 9.446 1.00 . A A . 29 HIS HA 1 1
1 447 1 1 28 HIS HB2 H 51.671 37.433 6.485 1.00 . A A . 29 HIS HB2 1 1
1 448 1 1 28 HIS HB3 H 52.950 38.369 7.259 1.00 . A A . 29 HIS HB3 1 1
1 449 1 1 28 HIS HD1 H 53.279 36.880 9.895 1.00 . A A . 29 HIS HD1 1 1
1 450 1 1 28 HIS HD2 H 52.833 34.925 6.241 1.00 . A A . 29 HIS HD2 1 1
1 451 1 1 28 HIS HE1 H 54.260 34.565 10.197 1.00 . A A . 29 HIS HE1 1 1
1 452 1 1 28 HIS N N 49.900 37.456 8.292 1.00 . A A . 29 HIS N 1 1
1 453 1 1 28 HIS ND1 N 53.307 36.202 9.188 1.00 . A A . 29 HIS ND1 1 1
1 454 1 1 28 HIS NE2 N 53.703 34.278 8.154 1.00 . A A . 29 HIS NE2 1 1
1 455 1 1 28 HIS O O 51.499 40.387 9.184 1.00 . A A . 29 HIS O 1 1
1 456 1 1 29 LYS C C 49.352 42.091 8.132 1.00 . A A . 30 LYS C 1 1
1 457 1 1 29 LYS CA C 50.188 41.480 7.012 1.00 . A A . 30 LYS CA 1 1
1 458 1 1 29 LYS CB C 49.474 41.703 5.677 1.00 . A A . 30 LYS CB 1 1
1 459 1 1 29 LYS CD C 49.770 41.604 3.196 1.00 . A A . 30 LYS CD 1 1
1 460 1 1 29 LYS CE C 50.562 42.382 2.144 1.00 . A A . 30 LYS CE 1 1
1 461 1 1 29 LYS CG C 50.498 41.676 4.540 1.00 . A A . 30 LYS CG 1 1
1 462 1 1 29 LYS H H 50.052 39.402 6.604 1.00 . A A . 30 LYS H 1 1
1 463 1 1 29 LYS HA H 51.148 41.974 6.981 1.00 . A A . 30 LYS HA 1 1
1 464 1 1 29 LYS HB2 H 48.744 40.922 5.524 1.00 . A A . 30 LYS HB2 1 1
1 465 1 1 29 LYS HB3 H 48.979 42.662 5.689 1.00 . A A . 30 LYS HB3 1 1
1 466 1 1 29 LYS HD2 H 49.680 40.572 2.891 1.00 . A A . 30 LYS HD2 1 1
1 467 1 1 29 LYS HD3 H 48.786 42.037 3.296 1.00 . A A . 30 LYS HD3 1 1
1 468 1 1 29 LYS HE2 H 50.890 43.322 2.562 1.00 . A A . 30 LYS HE2 1 1
1 469 1 1 29 LYS HE3 H 51.423 41.803 1.841 1.00 . A A . 30 LYS HE3 1 1
1 470 1 1 29 LYS HG2 H 51.100 42.573 4.577 1.00 . A A . 30 LYS HG2 1 1
1 471 1 1 29 LYS HG3 H 51.134 40.811 4.649 1.00 . A A . 30 LYS HG3 1 1
1 472 1 1 29 LYS HZ1 H 48.784 43.027 1.274 1.00 . A A . 30 LYS HZ1 1 1
1 473 1 1 29 LYS HZ2 H 50.162 43.324 0.331 1.00 . A A . 30 LYS HZ2 1 1
1 474 1 1 29 LYS HZ3 H 49.537 41.748 0.446 1.00 . A A . 30 LYS HZ3 1 1
1 475 1 1 29 LYS N N 50.395 40.054 7.250 1.00 . A A . 30 LYS N 1 1
1 476 1 1 29 LYS NZ N 49.696 42.640 0.959 1.00 . A A . 30 LYS NZ 1 1
1 477 1 1 29 LYS O O 49.549 43.244 8.516 1.00 . A A . 30 LYS O 1 1
1 478 1 1 30 LEU C C 48.322 41.816 11.046 1.00 . A A . 31 LEU C 1 1
1 479 1 1 30 LEU CA C 47.551 41.772 9.731 1.00 . A A . 31 LEU CA 1 1
1 480 1 1 30 LEU CB C 46.341 40.846 9.888 1.00 . A A . 31 LEU CB 1 1
1 481 1 1 30 LEU CD1 C 43.866 40.777 10.224 1.00 . A A . 31 LEU CD1 1 1
1 482 1 1 30 LEU CD2 C 45.282 42.237 11.673 1.00 . A A . 31 LEU CD2 1 1
1 483 1 1 30 LEU CG C 45.107 41.670 10.263 1.00 . A A . 31 LEU CG 1 1
1 484 1 1 30 LEU H H 48.304 40.393 8.306 1.00 . A A . 31 LEU H 1 1
1 485 1 1 30 LEU HA H 47.203 42.767 9.494 1.00 . A A . 31 LEU HA 1 1
1 486 1 1 30 LEU HB2 H 46.160 40.330 8.956 1.00 . A A . 31 LEU HB2 1 1
1 487 1 1 30 LEU HB3 H 46.538 40.123 10.666 1.00 . A A . 31 LEU HB3 1 1
1 488 1 1 30 LEU HD11 H 44.025 39.970 9.524 1.00 . A A . 31 LEU HD11 1 1
1 489 1 1 30 LEU HD12 H 43.684 40.370 11.207 1.00 . A A . 31 LEU HD12 1 1
1 490 1 1 30 LEU HD13 H 43.012 41.361 9.912 1.00 . A A . 31 LEU HD13 1 1
1 491 1 1 30 LEU HD21 H 45.701 41.477 12.317 1.00 . A A . 31 LEU HD21 1 1
1 492 1 1 30 LEU HD22 H 45.947 43.087 11.640 1.00 . A A . 31 LEU HD22 1 1
1 493 1 1 30 LEU HD23 H 44.322 42.546 12.059 1.00 . A A . 31 LEU HD23 1 1
1 494 1 1 30 LEU HG H 44.989 42.481 9.558 1.00 . A A . 31 LEU HG 1 1
1 495 1 1 30 LEU N N 48.415 41.303 8.651 1.00 . A A . 31 LEU N 1 1
1 496 1 1 30 LEU O O 48.157 42.733 11.850 1.00 . A A . 31 LEU O 1 1
1 497 1 1 31 GLU C C 51.082 41.777 12.445 1.00 . A A . 32 GLU C 1 1
1 498 1 1 31 GLU CA C 49.966 40.738 12.475 1.00 . A A . 32 GLU CA 1 1
1 499 1 1 31 GLU CB C 50.584 39.347 12.628 1.00 . A A . 32 GLU CB 1 1
1 500 1 1 31 GLU CD C 52.041 38.090 14.215 1.00 . A A . 32 GLU CD 1 1
1 501 1 1 31 GLU CG C 50.888 39.082 14.104 1.00 . A A . 32 GLU CG 1 1
1 502 1 1 31 GLU H H 49.257 40.108 10.577 1.00 . A A . 32 GLU H 1 1
1 503 1 1 31 GLU HA H 49.327 40.932 13.324 1.00 . A A . 32 GLU HA 1 1
1 504 1 1 31 GLU HB2 H 49.891 38.603 12.263 1.00 . A A . 32 GLU HB2 1 1
1 505 1 1 31 GLU HB3 H 51.500 39.296 12.059 1.00 . A A . 32 GLU HB3 1 1
1 506 1 1 31 GLU HG2 H 51.161 40.009 14.587 1.00 . A A . 32 GLU HG2 1 1
1 507 1 1 31 GLU HG3 H 50.013 38.669 14.583 1.00 . A A . 32 GLU HG3 1 1
1 508 1 1 31 GLU N N 49.168 40.811 11.254 1.00 . A A . 32 GLU N 1 1
1 509 1 1 31 GLU O O 51.295 42.509 13.412 1.00 . A A . 32 GLU O 1 1
1 510 1 1 31 GLU OE1 O 52.105 37.191 13.393 1.00 . A A . 32 GLU OE1 1 1
1 511 1 1 31 GLU OE2 O 52.844 38.245 15.121 1.00 . A A . 32 GLU OE2 1 1
1 512 1 1 32 GLN C C 52.368 44.218 11.275 1.00 . A A . 33 GLN C 1 1
1 513 1 1 32 GLN CA C 52.888 42.787 11.171 1.00 . A A . 33 GLN CA 1 1
1 514 1 1 32 GLN CB C 53.576 42.604 9.816 1.00 . A A . 33 GLN CB 1 1
1 515 1 1 32 GLN CD C 55.773 42.902 8.672 1.00 . A A . 33 GLN CD 1 1
1 516 1 1 32 GLN CG C 54.871 43.419 9.787 1.00 . A A . 33 GLN CG 1 1
1 517 1 1 32 GLN H H 51.577 41.225 10.584 1.00 . A A . 33 GLN H 1 1
1 518 1 1 32 GLN HA H 53.611 42.618 11.955 1.00 . A A . 33 GLN HA 1 1
1 519 1 1 32 GLN HB2 H 53.804 41.559 9.667 1.00 . A A . 33 GLN HB2 1 1
1 520 1 1 32 GLN HB3 H 52.920 42.946 9.030 1.00 . A A . 33 GLN HB3 1 1
1 521 1 1 32 GLN HE21 H 57.323 42.597 9.875 1.00 . A A . 33 GLN HE21 1 1
1 522 1 1 32 GLN HE22 H 57.582 42.203 8.245 1.00 . A A . 33 GLN HE22 1 1
1 523 1 1 32 GLN HG2 H 54.637 44.459 9.609 1.00 . A A . 33 GLN HG2 1 1
1 524 1 1 32 GLN HG3 H 55.380 43.322 10.734 1.00 . A A . 33 GLN HG3 1 1
1 525 1 1 32 GLN N N 51.792 41.833 11.322 1.00 . A A . 33 GLN N 1 1
1 526 1 1 32 GLN NE2 N 56.994 42.537 8.954 1.00 . A A . 33 GLN NE2 1 1
1 527 1 1 32 GLN O O 53.039 45.100 11.811 1.00 . A A . 33 GLN O 1 1
1 528 1 1 32 GLN OE1 O 55.361 42.826 7.515 1.00 . A A . 33 GLN OE1 1 1
1 529 1 1 33 LEU C C 49.104 45.675 11.247 1.00 . A A . 34 LEU C 1 1
1 530 1 1 33 LEU CA C 50.558 45.765 10.794 1.00 . A A . 34 LEU CA 1 1
1 531 1 1 33 LEU CB C 50.610 46.419 9.412 1.00 . A A . 34 LEU CB 1 1
1 532 1 1 33 LEU CD1 C 52.351 46.937 7.697 1.00 . A A . 34 LEU CD1 1 1
1 533 1 1 33 LEU CD2 C 52.002 48.481 9.629 1.00 . A A . 34 LEU CD2 1 1
1 534 1 1 33 LEU CG C 51.999 47.017 9.183 1.00 . A A . 34 LEU CG 1 1
1 535 1 1 33 LEU H H 50.674 43.695 10.342 1.00 . A A . 34 LEU H 1 1
1 536 1 1 33 LEU HA H 51.105 46.380 11.493 1.00 . A A . 34 LEU HA 1 1
1 537 1 1 33 LEU HB2 H 50.408 45.675 8.655 1.00 . A A . 34 LEU HB2 1 1
1 538 1 1 33 LEU HB3 H 49.869 47.202 9.356 1.00 . A A . 34 LEU HB3 1 1
1 539 1 1 33 LEU HD11 H 52.145 45.942 7.332 1.00 . A A . 34 LEU HD11 1 1
1 540 1 1 33 LEU HD12 H 51.758 47.653 7.147 1.00 . A A . 34 LEU HD12 1 1
1 541 1 1 33 LEU HD13 H 53.399 47.160 7.563 1.00 . A A . 34 LEU HD13 1 1
1 542 1 1 33 LEU HD21 H 51.175 49.000 9.166 1.00 . A A . 34 LEU HD21 1 1
1 543 1 1 33 LEU HD22 H 51.902 48.531 10.703 1.00 . A A . 34 LEU HD22 1 1
1 544 1 1 33 LEU HD23 H 52.930 48.946 9.332 1.00 . A A . 34 LEU HD23 1 1
1 545 1 1 33 LEU HG H 52.728 46.463 9.756 1.00 . A A . 34 LEU HG 1 1
1 546 1 1 33 LEU N N 51.163 44.437 10.756 1.00 . A A . 34 LEU N 1 1
1 547 1 1 33 LEU O O 48.293 44.983 10.632 1.00 . A A . 34 LEU O 1 1
1 548 1 1 34 NH2 HN1 H 49.366 46.893 12.792 1.00 . A A . 35 NH2 HN1 1 1
1 549 1 1 34 NH2 HN2 H 47.790 46.292 12.601 1.00 . A A . 35 NH2 HN2 1 1
1 550 1 1 34 NH2 N N 48.722 46.342 12.301 1.00 . A A . 35 NH2 N 1 1
1 551 2 2 1 ACE C C 41.030 -0.012 0.402 1.00 . B B . 2 ACE C 1 1
1 552 2 2 1 ACE CH3 C 40.034 -1.141 0.162 1.00 . B B . 2 ACE CH3 1 1
1 553 2 2 1 ACE H1 H 39.264 -1.109 0.919 1.00 . B B . 2 ACE H1 1 1
1 554 2 2 1 ACE H2 H 40.546 -2.090 0.210 1.00 . B B . 2 ACE H2 1 1
1 555 2 2 1 ACE H3 H 39.584 -1.023 -0.813 1.00 . B B . 2 ACE H3 1 1
1 556 2 2 1 ACE O O 42.227 -0.246 0.572 1.00 . B B . 2 ACE O 1 1
1 557 2 2 2 CYS C C 41.485 2.687 2.125 1.00 . B B . 3 CYS C 1 1
1 558 2 2 2 CYS CA C 41.376 2.382 0.634 1.00 . B B . 3 CYS CA 1 1
1 559 2 2 2 CYS CB C 40.808 3.606 -0.085 1.00 . B B . 3 CYS CB 1 1
1 560 2 2 2 CYS H H 39.561 1.343 0.273 1.00 . B B . 3 CYS H 1 1
1 561 2 2 2 CYS HA H 42.361 2.174 0.245 1.00 . B B . 3 CYS HA 1 1
1 562 2 2 2 CYS HB2 H 39.734 3.622 0.025 1.00 . B B . 3 CYS HB2 1 1
1 563 2 2 2 CYS HB3 H 41.227 4.503 0.347 1.00 . B B . 3 CYS HB3 1 1
1 564 2 2 2 CYS N N 40.522 1.217 0.414 1.00 . B B . 3 CYS N 1 1
1 565 2 2 2 CYS O O 42.582 2.832 2.665 1.00 . B B . 3 CYS O 1 1
1 566 2 2 2 CYS SG S 41.234 3.526 -1.842 1.00 . B B . 3 CYS SG 1 1
1 567 2 2 3 GLY C C 39.382 4.246 4.514 1.00 . B B . 4 GLY C 1 1
1 568 2 2 3 GLY CA C 40.308 3.072 4.214 1.00 . B B . 4 GLY CA 1 1
1 569 2 2 3 GLY H H 39.490 2.658 2.301 1.00 . B B . 4 GLY H 1 1
1 570 2 2 3 GLY HA2 H 39.961 2.199 4.746 1.00 . B B . 4 GLY HA2 1 1
1 571 2 2 3 GLY HA3 H 41.306 3.318 4.545 1.00 . B B . 4 GLY HA3 1 1
1 572 2 2 3 GLY N N 40.334 2.783 2.783 1.00 . B B . 4 GLY N 1 1
1 573 2 2 3 GLY O O 38.180 4.071 4.719 1.00 . B B . 4 GLY O 1 1
1 574 2 2 4 GLY C C 39.002 7.486 3.552 1.00 . B B . 5 GLY C 1 1
1 575 2 2 4 GLY CA C 39.173 6.648 4.814 1.00 . B B . 5 GLY CA 1 1
1 576 2 2 4 GLY H H 40.917 5.525 4.367 1.00 . B B . 5 GLY H 1 1
1 577 2 2 4 GLY HA2 H 38.200 6.361 5.186 1.00 . B B . 5 GLY HA2 1 1
1 578 2 2 4 GLY HA3 H 39.680 7.238 5.563 1.00 . B B . 5 GLY HA3 1 1
1 579 2 2 4 GLY N N 39.955 5.446 4.537 1.00 . B B . 5 GLY N 1 1
1 580 2 2 4 GLY O O 39.655 8.515 3.379 1.00 . B B . 5 GLY O 1 1
1 581 2 2 5 MET C C 36.996 8.976 1.674 1.00 . B B . 6 MET C 1 1
1 582 2 2 5 MET CA C 37.863 7.746 1.421 1.00 . B B . 6 MET CA 1 1
1 583 2 2 5 MET CB C 37.152 6.834 0.419 1.00 . B B . 6 MET CB 1 1
1 584 2 2 5 MET CE C 36.087 4.930 -1.637 1.00 . B B . 6 MET CE 1 1
1 585 2 2 5 MET CG C 37.985 5.570 0.198 1.00 . B B . 6 MET CG 1 1
1 586 2 2 5 MET H H 37.625 6.206 2.862 1.00 . B B . 6 MET H 1 1
1 587 2 2 5 MET HA H 38.805 8.061 1.000 1.00 . B B . 6 MET HA 1 1
1 588 2 2 5 MET HB2 H 36.180 6.564 0.806 1.00 . B B . 6 MET HB2 1 1
1 589 2 2 5 MET HB3 H 37.035 7.354 -0.520 1.00 . B B . 6 MET HB3 1 1
1 590 2 2 5 MET HE1 H 36.837 5.386 -2.270 1.00 . B B . 6 MET HE1 1 1
1 591 2 2 5 MET HE2 H 35.565 4.169 -2.194 1.00 . B B . 6 MET HE2 1 1
1 592 2 2 5 MET HE3 H 35.382 5.680 -1.307 1.00 . B B . 6 MET HE3 1 1
1 593 2 2 5 MET HG2 H 38.672 5.729 -0.619 1.00 . B B . 6 MET HG2 1 1
1 594 2 2 5 MET HG3 H 38.541 5.344 1.096 1.00 . B B . 6 MET HG3 1 1
1 595 2 2 5 MET N N 38.116 7.032 2.670 1.00 . B B . 6 MET N 1 1
1 596 2 2 5 MET O O 37.428 10.110 1.472 1.00 . B B . 6 MET O 1 1
1 597 2 2 5 MET SD S 36.889 4.184 -0.197 1.00 . B B . 6 MET SD 1 1
1 598 2 2 6 ARG C C 35.269 10.597 3.640 1.00 . B B . 7 ARG C 1 1
1 599 2 2 6 ARG CA C 34.838 9.830 2.393 1.00 . B B . 7 ARG CA 1 1
1 600 2 2 6 ARG CB C 33.422 9.292 2.602 1.00 . B B . 7 ARG CB 1 1
1 601 2 2 6 ARG CD C 31.247 8.858 1.449 1.00 . B B . 7 ARG CD 1 1
1 602 2 2 6 ARG CG C 32.743 9.101 1.244 1.00 . B B . 7 ARG CG 1 1
1 603 2 2 6 ARG CZ C 29.266 10.156 2.098 1.00 . B B . 7 ARG CZ 1 1
1 604 2 2 6 ARG H H 35.474 7.811 2.257 1.00 . B B . 7 ARG H 1 1
1 605 2 2 6 ARG HA H 34.833 10.506 1.551 1.00 . B B . 7 ARG HA 1 1
1 606 2 2 6 ARG HB2 H 33.470 8.344 3.118 1.00 . B B . 7 ARG HB2 1 1
1 607 2 2 6 ARG HB3 H 32.852 9.995 3.191 1.00 . B B . 7 ARG HB3 1 1
1 608 2 2 6 ARG HD2 H 30.835 8.407 0.560 1.00 . B B . 7 ARG HD2 1 1
1 609 2 2 6 ARG HD3 H 31.108 8.187 2.285 1.00 . B B . 7 ARG HD3 1 1
1 610 2 2 6 ARG HE H 31.040 10.962 1.613 1.00 . B B . 7 ARG HE 1 1
1 611 2 2 6 ARG HG2 H 32.886 9.988 0.643 1.00 . B B . 7 ARG HG2 1 1
1 612 2 2 6 ARG HG3 H 33.178 8.251 0.741 1.00 . B B . 7 ARG HG3 1 1
1 613 2 2 6 ARG HH11 H 28.989 8.164 2.082 1.00 . B B . 7 ARG HH11 1 1
1 614 2 2 6 ARG HH12 H 27.612 9.108 2.536 1.00 . B B . 7 ARG HH12 1 1
1 615 2 2 6 ARG HH21 H 29.221 12.154 2.209 1.00 . B B . 7 ARG HH21 1 1
1 616 2 2 6 ARG HH22 H 27.741 11.348 2.608 1.00 . B B . 7 ARG HH22 1 1
1 617 2 2 6 ARG N N 35.765 8.736 2.116 1.00 . B B . 7 ARG N 1 1
1 618 2 2 6 ARG NE N 30.551 10.119 1.716 1.00 . B B . 7 ARG NE 1 1
1 619 2 2 6 ARG NH1 N 28.569 9.055 2.250 1.00 . B B . 7 ARG NH1 1 1
1 620 2 2 6 ARG NH2 N 28.698 11.309 2.322 1.00 . B B . 7 ARG NH2 1 1
1 621 2 2 6 ARG O O 35.045 11.802 3.752 1.00 . B B . 7 ARG O 1 1
1 622 2 2 7 ARG C C 37.370 11.601 5.520 1.00 . B B . 8 ARG C 1 1
1 623 2 2 7 ARG CA C 36.347 10.507 5.817 1.00 . B B . 8 ARG CA 1 1
1 624 2 2 7 ARG CB C 36.988 9.465 6.735 1.00 . B B . 8 ARG CB 1 1
1 625 2 2 7 ARG CD C 36.576 7.966 8.690 1.00 . B B . 8 ARG CD 1 1
1 626 2 2 7 ARG CG C 35.911 8.825 7.614 1.00 . B B . 8 ARG CG 1 1
1 627 2 2 7 ARG CZ C 36.144 7.382 11.036 1.00 . B B . 8 ARG CZ 1 1
1 628 2 2 7 ARG H H 36.039 8.926 4.435 1.00 . B B . 8 ARG H 1 1
1 629 2 2 7 ARG HA H 35.501 10.946 6.324 1.00 . B B . 8 ARG HA 1 1
1 630 2 2 7 ARG HB2 H 37.466 8.703 6.136 1.00 . B B . 8 ARG HB2 1 1
1 631 2 2 7 ARG HB3 H 37.725 9.944 7.364 1.00 . B B . 8 ARG HB3 1 1
1 632 2 2 7 ARG HD2 H 36.794 6.991 8.284 1.00 . B B . 8 ARG HD2 1 1
1 633 2 2 7 ARG HD3 H 37.499 8.436 9.000 1.00 . B B . 8 ARG HD3 1 1
1 634 2 2 7 ARG HE H 34.744 8.041 9.757 1.00 . B B . 8 ARG HE 1 1
1 635 2 2 7 ARG HG2 H 35.322 9.600 8.082 1.00 . B B . 8 ARG HG2 1 1
1 636 2 2 7 ARG HG3 H 35.272 8.204 7.004 1.00 . B B . 8 ARG HG3 1 1
1 637 2 2 7 ARG HH11 H 38.056 7.153 10.459 1.00 . B B . 8 ARG HH11 1 1
1 638 2 2 7 ARG HH12 H 37.718 6.748 12.106 1.00 . B B . 8 ARG HH12 1 1
1 639 2 2 7 ARG HH21 H 34.347 7.502 11.911 1.00 . B B . 8 ARG HH21 1 1
1 640 2 2 7 ARG HH22 H 35.636 6.943 12.923 1.00 . B B . 8 ARG HH22 1 1
1 641 2 2 7 ARG N N 35.889 9.884 4.577 1.00 . B B . 8 ARG N 1 1
1 642 2 2 7 ARG NE N 35.693 7.817 9.850 1.00 . B B . 8 ARG NE 1 1
1 643 2 2 7 ARG NH1 N 37.405 7.070 11.213 1.00 . B B . 8 ARG NH1 1 1
1 644 2 2 7 ARG NH2 N 35.311 7.267 12.034 1.00 . B B . 8 ARG NH2 1 1
1 645 2 2 7 ARG O O 37.197 12.755 5.911 1.00 . B B . 8 ARG O 1 1
1 646 2 2 8 LYS C C 38.927 13.288 3.594 1.00 . B B . 9 LYS C 1 1
1 647 2 2 8 LYS CA C 39.487 12.177 4.477 1.00 . B B . 9 LYS CA 1 1
1 648 2 2 8 LYS CB C 40.625 11.476 3.733 1.00 . B B . 9 LYS CB 1 1
1 649 2 2 8 LYS CD C 42.671 10.067 4.006 1.00 . B B . 9 LYS CD 1 1
1 650 2 2 8 LYS CE C 43.509 9.287 5.021 1.00 . B B . 9 LYS CE 1 1
1 651 2 2 8 LYS CG C 41.615 10.893 4.743 1.00 . B B . 9 LYS CG 1 1
1 652 2 2 8 LYS H H 38.522 10.288 4.539 1.00 . B B . 9 LYS H 1 1
1 653 2 2 8 LYS HA H 39.879 12.613 5.384 1.00 . B B . 9 LYS HA 1 1
1 654 2 2 8 LYS HB2 H 40.220 10.681 3.123 1.00 . B B . 9 LYS HB2 1 1
1 655 2 2 8 LYS HB3 H 41.136 12.188 3.102 1.00 . B B . 9 LYS HB3 1 1
1 656 2 2 8 LYS HD2 H 42.182 9.376 3.334 1.00 . B B . 9 LYS HD2 1 1
1 657 2 2 8 LYS HD3 H 43.314 10.726 3.442 1.00 . B B . 9 LYS HD3 1 1
1 658 2 2 8 LYS HE2 H 42.887 8.994 5.853 1.00 . B B . 9 LYS HE2 1 1
1 659 2 2 8 LYS HE3 H 43.917 8.405 4.548 1.00 . B B . 9 LYS HE3 1 1
1 660 2 2 8 LYS HG2 H 42.096 11.697 5.281 1.00 . B B . 9 LYS HG2 1 1
1 661 2 2 8 LYS HG3 H 41.087 10.259 5.440 1.00 . B B . 9 LYS HG3 1 1
1 662 2 2 8 LYS HZ1 H 44.285 11.125 5.616 1.00 . B B . 9 LYS HZ1 1 1
1 663 2 2 8 LYS HZ2 H 44.953 9.794 6.433 1.00 . B B . 9 LYS HZ2 1 1
1 664 2 2 8 LYS HZ3 H 45.406 10.124 4.829 1.00 . B B . 9 LYS HZ3 1 1
1 665 2 2 8 LYS N N 38.438 11.222 4.824 1.00 . B B . 9 LYS N 1 1
1 666 2 2 8 LYS NZ N 44.622 10.148 5.511 1.00 . B B . 9 LYS NZ 1 1
1 667 2 2 8 LYS O O 39.247 14.463 3.772 1.00 . B B . 9 LYS O 1 1
1 668 2 2 9 ASN C C 36.627 14.870 2.503 1.00 . B B . 10 ASN C 1 1
1 669 2 2 9 ASN CA C 37.483 13.872 1.729 1.00 . B B . 10 ASN CA 1 1
1 670 2 2 9 ASN CB C 36.609 13.163 0.693 1.00 . B B . 10 ASN CB 1 1
1 671 2 2 9 ASN CG C 37.476 12.705 -0.475 1.00 . B B . 10 ASN CG 1 1
1 672 2 2 9 ASN H H 37.867 11.951 2.545 1.00 . B B . 10 ASN H 1 1
1 673 2 2 9 ASN HA H 38.268 14.407 1.216 1.00 . B B . 10 ASN HA 1 1
1 674 2 2 9 ASN HB2 H 36.135 12.306 1.148 1.00 . B B . 10 ASN HB2 1 1
1 675 2 2 9 ASN HB3 H 35.853 13.845 0.332 1.00 . B B . 10 ASN HB3 1 1
1 676 2 2 9 ASN HD21 H 36.300 11.171 -0.930 1.00 . B B . 10 ASN HD21 1 1
1 677 2 2 9 ASN HD22 H 37.669 11.355 -1.917 1.00 . B B . 10 ASN HD22 1 1
1 678 2 2 9 ASN N N 38.086 12.901 2.639 1.00 . B B . 10 ASN N 1 1
1 679 2 2 9 ASN ND2 N 37.118 11.657 -1.165 1.00 . B B . 10 ASN ND2 1 1
1 680 2 2 9 ASN O O 36.635 16.068 2.220 1.00 . B B . 10 ASN O 1 1
1 681 2 2 9 ASN OD1 O 38.504 13.315 -0.770 1.00 . B B . 10 ASN OD1 1 1
1 682 2 2 10 ASP C C 35.861 16.236 5.063 1.00 . B B . 11 ASP C 1 1
1 683 2 2 10 ASP CA C 35.026 15.216 4.296 1.00 . B B . 11 ASP CA 1 1
1 684 2 2 10 ASP CB C 34.223 14.378 5.293 1.00 . B B . 11 ASP CB 1 1
1 685 2 2 10 ASP CG C 32.960 15.133 5.692 1.00 . B B . 11 ASP CG 1 1
1 686 2 2 10 ASP H H 35.920 13.399 3.665 1.00 . B B . 11 ASP H 1 1
1 687 2 2 10 ASP HA H 34.339 15.740 3.648 1.00 . B B . 11 ASP HA 1 1
1 688 2 2 10 ASP HB2 H 33.952 13.437 4.836 1.00 . B B . 11 ASP HB2 1 1
1 689 2 2 10 ASP HB3 H 34.822 14.192 6.172 1.00 . B B . 11 ASP HB3 1 1
1 690 2 2 10 ASP N N 35.887 14.361 3.484 1.00 . B B . 11 ASP N 1 1
1 691 2 2 10 ASP O O 35.551 17.428 5.080 1.00 . B B . 11 ASP O 1 1
1 692 2 2 10 ASP OD1 O 33.089 16.206 6.259 1.00 . B B . 11 ASP OD1 1 1
1 693 2 2 10 ASP OD2 O 31.882 14.627 5.426 1.00 . B B . 11 ASP OD2 1 1
1 694 2 2 11 THR C C 38.465 17.655 5.552 1.00 . B B . 12 THR C 1 1
1 695 2 2 11 THR CA C 37.803 16.631 6.467 1.00 . B B . 12 THR CA 1 1
1 696 2 2 11 THR CB C 38.890 15.816 7.173 1.00 . B B . 12 THR CB 1 1
1 697 2 2 11 THR CG2 C 38.397 15.396 8.558 1.00 . B B . 12 THR CG2 1 1
1 698 2 2 11 THR H H 37.123 14.795 5.649 1.00 . B B . 12 THR H 1 1
1 699 2 2 11 THR HA H 37.218 17.150 7.211 1.00 . B B . 12 THR HA 1 1
1 700 2 2 11 THR HB H 39.780 16.417 7.279 1.00 . B B . 12 THR HB 1 1
1 701 2 2 11 THR HG1 H 39.913 14.197 6.829 1.00 . B B . 12 THR HG1 1 1
1 702 2 2 11 THR HG21 H 37.677 16.116 8.918 1.00 . B B . 12 THR HG21 1 1
1 703 2 2 11 THR HG22 H 37.932 14.423 8.495 1.00 . B B . 12 THR HG22 1 1
1 704 2 2 11 THR HG23 H 39.234 15.352 9.240 1.00 . B B . 12 THR HG23 1 1
1 705 2 2 11 THR N N 36.925 15.754 5.698 1.00 . B B . 12 THR N 1 1
1 706 2 2 11 THR O O 38.677 18.806 5.934 1.00 . B B . 12 THR O 1 1
1 707 2 2 11 THR OG1 O 39.188 14.660 6.402 1.00 . B B . 12 THR OG1 1 1
1 708 2 2 12 HIS C C 38.501 19.268 3.016 1.00 . B B . 13 HIS C 1 1
1 709 2 2 12 HIS CA C 39.427 18.109 3.368 1.00 . B B . 13 HIS CA 1 1
1 710 2 2 12 HIS CB C 39.775 17.345 2.090 1.00 . B B . 13 HIS CB 1 1
1 711 2 2 12 HIS CD2 C 41.353 15.246 2.196 1.00 . B B . 13 HIS CD2 1 1
1 712 2 2 12 HIS CE1 C 43.189 16.259 2.738 1.00 . B B . 13 HIS CE1 1 1
1 713 2 2 12 HIS CG C 41.056 16.583 2.291 1.00 . B B . 13 HIS CG 1 1
1 714 2 2 12 HIS H H 38.595 16.295 4.087 1.00 . B B . 13 HIS H 1 1
1 715 2 2 12 HIS HA H 40.333 18.503 3.797 1.00 . B B . 13 HIS HA 1 1
1 716 2 2 12 HIS HB2 H 38.978 16.654 1.855 1.00 . B B . 13 HIS HB2 1 1
1 717 2 2 12 HIS HB3 H 39.897 18.043 1.275 1.00 . B B . 13 HIS HB3 1 1
1 718 2 2 12 HIS HD1 H 42.369 18.171 2.785 1.00 . B B . 13 HIS HD1 1 1
1 719 2 2 12 HIS HD2 H 40.647 14.469 1.940 1.00 . B B . 13 HIS HD2 1 1
1 720 2 2 12 HIS HE1 H 44.220 16.455 2.996 1.00 . B B . 13 HIS HE1 1 1
1 721 2 2 12 HIS N N 38.788 17.223 4.337 1.00 . B B . 13 HIS N 1 1
1 722 2 2 12 HIS ND1 N 42.243 17.210 2.638 1.00 . B B . 13 HIS ND1 1 1
1 723 2 2 12 HIS NE2 N 42.700 15.044 2.479 1.00 . B B . 13 HIS NE2 1 1
1 724 2 2 12 HIS O O 38.901 20.432 3.033 1.00 . B B . 13 HIS O 1 1
1 725 2 2 13 GLN C C 36.030 20.895 3.507 1.00 . B B . 14 GLN C 1 1
1 726 2 2 13 GLN CA C 36.269 19.946 2.337 1.00 . B B . 14 GLN CA 1 1
1 727 2 2 13 GLN CB C 34.943 19.289 1.949 1.00 . B B . 14 GLN CB 1 1
1 728 2 2 13 GLN CD C 33.543 18.559 0.017 1.00 . B B . 14 GLN CD 1 1
1 729 2 2 13 GLN CG C 34.940 18.993 0.448 1.00 . B B . 14 GLN CG 1 1
1 730 2 2 13 GLN H H 36.999 17.987 2.700 1.00 . B B . 14 GLN H 1 1
1 731 2 2 13 GLN HA H 36.638 20.512 1.495 1.00 . B B . 14 GLN HA 1 1
1 732 2 2 13 GLN HB2 H 34.824 18.367 2.499 1.00 . B B . 14 GLN HB2 1 1
1 733 2 2 13 GLN HB3 H 34.128 19.957 2.183 1.00 . B B . 14 GLN HB3 1 1
1 734 2 2 13 GLN HE21 H 33.346 20.019 -1.315 1.00 . B B . 14 GLN HE21 1 1
1 735 2 2 13 GLN HE22 H 32.020 18.968 -1.189 1.00 . B B . 14 GLN HE22 1 1
1 736 2 2 13 GLN HG2 H 35.225 19.883 -0.095 1.00 . B B . 14 GLN HG2 1 1
1 737 2 2 13 GLN HG3 H 35.642 18.201 0.235 1.00 . B B . 14 GLN HG3 1 1
1 738 2 2 13 GLN N N 37.257 18.931 2.696 1.00 . B B . 14 GLN N 1 1
1 739 2 2 13 GLN NE2 N 32.918 19.239 -0.906 1.00 . B B . 14 GLN NE2 1 1
1 740 2 2 13 GLN O O 35.926 22.109 3.329 1.00 . B B . 14 GLN O 1 1
1 741 2 2 13 GLN OE1 O 33.004 17.579 0.531 1.00 . B B . 14 GLN OE1 1 1
1 742 2 2 14 GLN C C 36.869 22.105 6.118 1.00 . B B . 15 GLN C 1 1
1 743 2 2 14 GLN CA C 35.715 21.132 5.904 1.00 . B B . 15 GLN CA 1 1
1 744 2 2 14 GLN CB C 35.584 20.234 7.136 1.00 . B B . 15 GLN CB 1 1
1 745 2 2 14 GLN CD C 33.880 19.797 8.905 1.00 . B B . 15 GLN CD 1 1
1 746 2 2 14 GLN CG C 34.629 20.882 8.141 1.00 . B B . 15 GLN CG 1 1
1 747 2 2 14 GLN H H 36.033 19.355 4.788 1.00 . B B . 15 GLN H 1 1
1 748 2 2 14 GLN HA H 34.800 21.693 5.781 1.00 . B B . 15 GLN HA 1 1
1 749 2 2 14 GLN HB2 H 35.196 19.270 6.839 1.00 . B B . 15 GLN HB2 1 1
1 750 2 2 14 GLN HB3 H 36.553 20.107 7.594 1.00 . B B . 15 GLN HB3 1 1
1 751 2 2 14 GLN HE21 H 35.401 19.405 10.120 1.00 . B B . 15 GLN HE21 1 1
1 752 2 2 14 GLN HE22 H 34.006 18.474 10.381 1.00 . B B . 15 GLN HE22 1 1
1 753 2 2 14 GLN HG2 H 35.194 21.488 8.834 1.00 . B B . 15 GLN HG2 1 1
1 754 2 2 14 GLN HG3 H 33.920 21.504 7.614 1.00 . B B . 15 GLN HG3 1 1
1 755 2 2 14 GLN N N 35.943 20.327 4.707 1.00 . B B . 15 GLN N 1 1
1 756 2 2 14 GLN NE2 N 34.478 19.173 9.883 1.00 . B B . 15 GLN NE2 1 1
1 757 2 2 14 GLN O O 36.663 23.308 6.277 1.00 . B B . 15 GLN O 1 1
1 758 2 2 14 GLN OE1 O 32.721 19.506 8.608 1.00 . B B . 15 GLN OE1 1 1
1 759 2 2 15 ASP C C 39.379 23.440 5.193 1.00 . B B . 16 ASP C 1 1
1 760 2 2 15 ASP CA C 39.274 22.404 6.308 1.00 . B B . 16 ASP CA 1 1
1 761 2 2 15 ASP CB C 40.540 21.544 6.309 1.00 . B B . 16 ASP CB 1 1
1 762 2 2 15 ASP CG C 41.584 22.174 7.224 1.00 . B B . 16 ASP CG 1 1
1 763 2 2 15 ASP H H 38.193 20.607 5.982 1.00 . B B . 16 ASP H 1 1
1 764 2 2 15 ASP HA H 39.197 22.914 7.256 1.00 . B B . 16 ASP HA 1 1
1 765 2 2 15 ASP HB2 H 40.300 20.552 6.666 1.00 . B B . 16 ASP HB2 1 1
1 766 2 2 15 ASP HB3 H 40.933 21.480 5.306 1.00 . B B . 16 ASP HB3 1 1
1 767 2 2 15 ASP N N 38.088 21.572 6.116 1.00 . B B . 16 ASP N 1 1
1 768 2 2 15 ASP O O 39.723 24.598 5.430 1.00 . B B . 16 ASP O 1 1
1 769 2 2 15 ASP OD1 O 41.325 22.264 8.413 1.00 . B B . 16 ASP OD1 1 1
1 770 2 2 15 ASP OD2 O 42.627 22.559 6.722 1.00 . B B . 16 ASP OD2 1 1
1 771 2 2 16 ILE C C 38.124 25.046 2.998 1.00 . B B . 17 ILE C 1 1
1 772 2 2 16 ILE CA C 39.122 23.902 2.820 1.00 . B B . 17 ILE CA 1 1
1 773 2 2 16 ILE CB C 38.800 23.112 1.526 1.00 . B B . 17 ILE CB 1 1
1 774 2 2 16 ILE CD1 C 39.703 21.416 -0.071 1.00 . B B . 17 ILE CD1 1 1
1 775 2 2 16 ILE CG1 C 40.060 22.379 1.062 1.00 . B B . 17 ILE CG1 1 1
1 776 2 2 16 ILE CG2 C 38.316 24.044 0.396 1.00 . B B . 17 ILE CG2 1 1
1 777 2 2 16 ILE H H 38.797 22.076 3.849 1.00 . B B . 17 ILE H 1 1
1 778 2 2 16 ILE HA H 40.117 24.314 2.740 1.00 . B B . 17 ILE HA 1 1
1 779 2 2 16 ILE HB H 38.028 22.387 1.740 1.00 . B B . 17 ILE HB 1 1
1 780 2 2 16 ILE HD11 H 38.769 20.923 0.156 1.00 . B B . 17 ILE HD11 1 1
1 781 2 2 16 ILE HD12 H 39.603 21.968 -0.994 1.00 . B B . 17 ILE HD12 1 1
1 782 2 2 16 ILE HD13 H 40.484 20.678 -0.176 1.00 . B B . 17 ILE HD13 1 1
1 783 2 2 16 ILE HG12 H 40.785 23.099 0.710 1.00 . B B . 17 ILE HG12 1 1
1 784 2 2 16 ILE HG13 H 40.477 21.821 1.887 1.00 . B B . 17 ILE HG13 1 1
1 785 2 2 16 ILE HG21 H 38.869 24.972 0.433 1.00 . B B . 17 ILE HG21 1 1
1 786 2 2 16 ILE HG22 H 38.469 23.568 -0.559 1.00 . B B . 17 ILE HG22 1 1
1 787 2 2 16 ILE HG23 H 37.262 24.252 0.530 1.00 . B B . 17 ILE HG23 1 1
1 788 2 2 16 ILE N N 39.070 23.009 3.974 1.00 . B B . 17 ILE N 1 1
1 789 2 2 16 ILE O O 38.500 26.191 3.244 1.00 . B B . 17 ILE O 1 1
1 790 2 2 17 ASP C C 35.941 26.597 4.166 1.00 . B B . 18 ASP C 1 1
1 791 2 2 17 ASP CA C 35.773 25.701 2.933 1.00 . B B . 18 ASP CA 1 1
1 792 2 2 17 ASP CB C 34.413 24.997 3.004 1.00 . B B . 18 ASP CB 1 1
1 793 2 2 17 ASP CG C 33.791 24.936 1.611 1.00 . B B . 18 ASP CG 1 1
1 794 2 2 17 ASP H H 36.618 23.785 2.613 1.00 . B B . 18 ASP H 1 1
1 795 2 2 17 ASP HA H 35.803 26.315 2.044 1.00 . B B . 18 ASP HA 1 1
1 796 2 2 17 ASP HB2 H 34.548 23.994 3.381 1.00 . B B . 18 ASP HB2 1 1
1 797 2 2 17 ASP HB3 H 33.756 25.542 3.665 1.00 . B B . 18 ASP HB3 1 1
1 798 2 2 17 ASP N N 36.845 24.713 2.832 1.00 . B B . 18 ASP N 1 1
1 799 2 2 17 ASP O O 35.529 27.757 4.168 1.00 . B B . 18 ASP O 1 1
1 800 2 2 17 ASP OD1 O 34.233 24.117 0.823 1.00 . B B . 18 ASP OD1 1 1
1 801 2 2 17 ASP OD2 O 32.882 25.709 1.355 1.00 . B B . 18 ASP OD2 1 1
1 802 2 2 18 ASP C C 37.893 27.817 6.241 1.00 . B B . 19 ASP C 1 1
1 803 2 2 18 ASP CA C 36.773 26.800 6.439 1.00 . B B . 19 ASP CA 1 1
1 804 2 2 18 ASP CB C 37.147 25.862 7.589 1.00 . B B . 19 ASP CB 1 1
1 805 2 2 18 ASP CG C 37.159 26.642 8.900 1.00 . B B . 19 ASP CG 1 1
1 806 2 2 18 ASP H H 36.862 25.115 5.152 1.00 . B B . 19 ASP H 1 1
1 807 2 2 18 ASP HA H 35.864 27.324 6.697 1.00 . B B . 19 ASP HA 1 1
1 808 2 2 18 ASP HB2 H 36.422 25.064 7.652 1.00 . B B . 19 ASP HB2 1 1
1 809 2 2 18 ASP HB3 H 38.127 25.447 7.411 1.00 . B B . 19 ASP HB3 1 1
1 810 2 2 18 ASP N N 36.553 26.043 5.210 1.00 . B B . 19 ASP N 1 1
1 811 2 2 18 ASP O O 37.836 28.934 6.754 1.00 . B B . 19 ASP O 1 1
1 812 2 2 18 ASP OD1 O 37.912 27.597 8.991 1.00 . B B . 19 ASP OD1 1 1
1 813 2 2 18 ASP OD2 O 36.414 26.273 9.793 1.00 . B B . 19 ASP OD2 1 1
1 814 2 2 19 LEU C C 39.607 29.485 4.374 1.00 . B B . 20 LEU C 1 1
1 815 2 2 19 LEU CA C 40.046 28.294 5.220 1.00 . B B . 20 LEU CA 1 1
1 816 2 2 19 LEU CB C 41.148 27.536 4.475 1.00 . B B . 20 LEU CB 1 1
1 817 2 2 19 LEU CD1 C 42.445 25.408 4.642 1.00 . B B . 20 LEU CD1 1 1
1 818 2 2 19 LEU CD2 C 42.958 27.308 6.181 1.00 . B B . 20 LEU CD2 1 1
1 819 2 2 19 LEU CG C 41.844 26.570 5.435 1.00 . B B . 20 LEU CG 1 1
1 820 2 2 19 LEU H H 38.901 26.512 5.104 1.00 . B B . 20 LEU H 1 1
1 821 2 2 19 LEU HA H 40.442 28.654 6.157 1.00 . B B . 20 LEU HA 1 1
1 822 2 2 19 LEU HB2 H 40.712 26.981 3.657 1.00 . B B . 20 LEU HB2 1 1
1 823 2 2 19 LEU HB3 H 41.870 28.239 4.088 1.00 . B B . 20 LEU HB3 1 1
1 824 2 2 19 LEU HD11 H 41.737 25.075 3.898 1.00 . B B . 20 LEU HD11 1 1
1 825 2 2 19 LEU HD12 H 43.352 25.735 4.156 1.00 . B B . 20 LEU HD12 1 1
1 826 2 2 19 LEU HD13 H 42.671 24.593 5.314 1.00 . B B . 20 LEU HD13 1 1
1 827 2 2 19 LEU HD21 H 43.559 27.862 5.474 1.00 . B B . 20 LEU HD21 1 1
1 828 2 2 19 LEU HD22 H 42.522 27.990 6.895 1.00 . B B . 20 LEU HD22 1 1
1 829 2 2 19 LEU HD23 H 43.579 26.592 6.699 1.00 . B B . 20 LEU HD23 1 1
1 830 2 2 19 LEU HG H 41.125 26.188 6.144 1.00 . B B . 20 LEU HG 1 1
1 831 2 2 19 LEU N N 38.912 27.414 5.488 1.00 . B B . 20 LEU N 1 1
1 832 2 2 19 LEU O O 39.962 30.630 4.654 1.00 . B B . 20 LEU O 1 1
1 833 2 2 20 LYS C C 37.466 31.236 3.214 1.00 . B B . 21 LYS C 1 1
1 834 2 2 20 LYS CA C 38.342 30.252 2.446 1.00 . B B . 21 LYS CA 1 1
1 835 2 2 20 LYS CB C 37.528 29.651 1.298 1.00 . B B . 21 LYS CB 1 1
1 836 2 2 20 LYS CD C 37.641 29.149 -1.147 1.00 . B B . 21 LYS CD 1 1
1 837 2 2 20 LYS CE C 38.584 29.027 -2.345 1.00 . B B . 21 LYS CE 1 1
1 838 2 2 20 LYS CG C 38.461 29.309 0.135 1.00 . B B . 21 LYS CG 1 1
1 839 2 2 20 LYS H H 38.579 28.268 3.159 1.00 . B B . 21 LYS H 1 1
1 840 2 2 20 LYS HA H 39.188 30.782 2.033 1.00 . B B . 21 LYS HA 1 1
1 841 2 2 20 LYS HB2 H 37.034 28.753 1.640 1.00 . B B . 21 LYS HB2 1 1
1 842 2 2 20 LYS HB3 H 36.790 30.365 0.967 1.00 . B B . 21 LYS HB3 1 1
1 843 2 2 20 LYS HD2 H 37.032 28.259 -1.075 1.00 . B B . 21 LYS HD2 1 1
1 844 2 2 20 LYS HD3 H 37.005 30.011 -1.278 1.00 . B B . 21 LYS HD3 1 1
1 845 2 2 20 LYS HE2 H 39.366 29.768 -2.265 1.00 . B B . 21 LYS HE2 1 1
1 846 2 2 20 LYS HE3 H 39.023 28.041 -2.360 1.00 . B B . 21 LYS HE3 1 1
1 847 2 2 20 LYS HG2 H 39.181 30.104 0.005 1.00 . B B . 21 LYS HG2 1 1
1 848 2 2 20 LYS HG3 H 38.978 28.385 0.346 1.00 . B B . 21 LYS HG3 1 1
1 849 2 2 20 LYS HZ1 H 37.186 30.065 -3.487 1.00 . B B . 21 LYS HZ1 1 1
1 850 2 2 20 LYS HZ2 H 38.481 29.432 -4.385 1.00 . B B . 21 LYS HZ2 1 1
1 851 2 2 20 LYS HZ3 H 37.252 28.404 -3.820 1.00 . B B . 21 LYS HZ3 1 1
1 852 2 2 20 LYS N N 38.829 29.199 3.333 1.00 . B B . 21 LYS N 1 1
1 853 2 2 20 LYS NZ N 37.818 29.249 -3.604 1.00 . B B . 21 LYS NZ 1 1
1 854 2 2 20 LYS O O 37.466 32.436 2.937 1.00 . B B . 21 LYS O 1 1
1 855 2 2 21 ARG C C 36.661 32.487 5.875 1.00 . B B . 22 ARG C 1 1
1 856 2 2 21 ARG CA C 35.839 31.559 4.987 1.00 . B B . 22 ARG CA 1 1
1 857 2 2 21 ARG CB C 34.927 30.702 5.869 1.00 . B B . 22 ARG CB 1 1
1 858 2 2 21 ARG CD C 32.455 30.470 6.225 1.00 . B B . 22 ARG CD 1 1
1 859 2 2 21 ARG CG C 33.624 31.458 6.142 1.00 . B B . 22 ARG CG 1 1
1 860 2 2 21 ARG CZ C 31.269 31.197 8.250 1.00 . B B . 22 ARG CZ 1 1
1 861 2 2 21 ARG H H 36.760 29.752 4.359 1.00 . B B . 22 ARG H 1 1
1 862 2 2 21 ARG HA H 35.226 32.155 4.328 1.00 . B B . 22 ARG HA 1 1
1 863 2 2 21 ARG HB2 H 34.705 29.773 5.363 1.00 . B B . 22 ARG HB2 1 1
1 864 2 2 21 ARG HB3 H 35.423 30.494 6.805 1.00 . B B . 22 ARG HB3 1 1
1 865 2 2 21 ARG HD2 H 31.627 30.851 5.648 1.00 . B B . 22 ARG HD2 1 1
1 866 2 2 21 ARG HD3 H 32.761 29.516 5.818 1.00 . B B . 22 ARG HD3 1 1
1 867 2 2 21 ARG HE H 32.306 29.484 8.097 1.00 . B B . 22 ARG HE 1 1
1 868 2 2 21 ARG HG2 H 33.709 31.993 7.077 1.00 . B B . 22 ARG HG2 1 1
1 869 2 2 21 ARG HG3 H 33.441 32.161 5.343 1.00 . B B . 22 ARG HG3 1 1
1 870 2 2 21 ARG HH11 H 31.133 32.474 6.702 1.00 . B B . 22 ARG HH11 1 1
1 871 2 2 21 ARG HH12 H 30.307 32.954 8.144 1.00 . B B . 22 ARG HH12 1 1
1 872 2 2 21 ARG HH21 H 31.216 30.150 9.956 1.00 . B B . 22 ARG HH21 1 1
1 873 2 2 21 ARG HH22 H 30.353 31.652 9.971 1.00 . B B . 22 ARG HH22 1 1
1 874 2 2 21 ARG N N 36.719 30.715 4.183 1.00 . B B . 22 ARG N 1 1
1 875 2 2 21 ARG NE N 32.028 30.292 7.615 1.00 . B B . 22 ARG NE 1 1
1 876 2 2 21 ARG NH1 N 30.873 32.294 7.650 1.00 . B B . 22 ARG NH1 1 1
1 877 2 2 21 ARG NH2 N 30.919 30.983 9.489 1.00 . B B . 22 ARG NH2 1 1
1 878 2 2 21 ARG O O 36.323 33.657 6.057 1.00 . B B . 22 ARG O 1 1
1 879 2 2 22 GLN C C 39.400 33.759 6.473 1.00 . B B . 23 GLN C 1 1
1 880 2 2 22 GLN CA C 38.616 32.740 7.294 1.00 . B B . 23 GLN CA 1 1
1 881 2 2 22 GLN CB C 39.601 31.833 8.035 1.00 . B B . 23 GLN CB 1 1
1 882 2 2 22 GLN CD C 38.986 32.498 10.359 1.00 . B B . 23 GLN CD 1 1
1 883 2 2 22 GLN CG C 38.971 31.358 9.346 1.00 . B B . 23 GLN CG 1 1
1 884 2 2 22 GLN H H 37.968 31.014 6.244 1.00 . B B . 23 GLN H 1 1
1 885 2 2 22 GLN HA H 38.009 33.263 8.018 1.00 . B B . 23 GLN HA 1 1
1 886 2 2 22 GLN HB2 H 39.836 30.978 7.417 1.00 . B B . 23 GLN HB2 1 1
1 887 2 2 22 GLN HB3 H 40.505 32.382 8.250 1.00 . B B . 23 GLN HB3 1 1
1 888 2 2 22 GLN HE21 H 40.933 32.836 10.165 1.00 . B B . 23 GLN HE21 1 1
1 889 2 2 22 GLN HE22 H 40.128 33.843 11.269 1.00 . B B . 23 GLN HE22 1 1
1 890 2 2 22 GLN HG2 H 37.952 31.050 9.165 1.00 . B B . 23 GLN HG2 1 1
1 891 2 2 22 GLN HG3 H 39.536 30.525 9.736 1.00 . B B . 23 GLN HG3 1 1
1 892 2 2 22 GLN N N 37.747 31.951 6.426 1.00 . B B . 23 GLN N 1 1
1 893 2 2 22 GLN NE2 N 40.109 33.110 10.619 1.00 . B B . 23 GLN NE2 1 1
1 894 2 2 22 GLN O O 39.511 34.927 6.847 1.00 . B B . 23 GLN O 1 1
1 895 2 2 22 GLN OE1 O 37.951 32.843 10.930 1.00 . B B . 23 GLN OE1 1 1
1 896 2 2 23 ASN C C 39.821 35.275 3.896 1.00 . B B . 24 ASN C 1 1
1 897 2 2 23 ASN CA C 40.713 34.182 4.474 1.00 . B B . 24 ASN CA 1 1
1 898 2 2 23 ASN CB C 41.332 33.384 3.324 1.00 . B B . 24 ASN CB 1 1
1 899 2 2 23 ASN CG C 42.232 32.287 3.885 1.00 . B B . 24 ASN CG 1 1
1 900 2 2 23 ASN H H 39.819 32.363 5.099 1.00 . B B . 24 ASN H 1 1
1 901 2 2 23 ASN HA H 41.505 34.640 5.047 1.00 . B B . 24 ASN HA 1 1
1 902 2 2 23 ASN HB2 H 40.545 32.937 2.733 1.00 . B B . 24 ASN HB2 1 1
1 903 2 2 23 ASN HB3 H 41.918 34.044 2.702 1.00 . B B . 24 ASN HB3 1 1
1 904 2 2 23 ASN HD21 H 43.271 32.087 2.206 1.00 . B B . 24 ASN HD21 1 1
1 905 2 2 23 ASN HD22 H 43.743 31.066 3.477 1.00 . B B . 24 ASN HD22 1 1
1 906 2 2 23 ASN N N 39.941 33.303 5.347 1.00 . B B . 24 ASN N 1 1
1 907 2 2 23 ASN ND2 N 43.159 31.770 3.126 1.00 . B B . 24 ASN ND2 1 1
1 908 2 2 23 ASN O O 40.264 36.400 3.662 1.00 . B B . 24 ASN O 1 1
1 909 2 2 23 ASN OD1 O 42.092 31.887 5.041 1.00 . B B . 24 ASN OD1 1 1
1 910 2 2 24 ALA C C 37.431 37.076 4.062 1.00 . B B . 25 ALA C 1 1
1 911 2 2 24 ALA CA C 37.601 35.891 3.118 1.00 . B B . 25 ALA CA 1 1
1 912 2 2 24 ALA CB C 36.240 35.227 2.901 1.00 . B B . 25 ALA CB 1 1
1 913 2 2 24 ALA H H 38.258 34.021 3.875 1.00 . B B . 25 ALA H 1 1
1 914 2 2 24 ALA HA H 37.971 36.248 2.168 1.00 . B B . 25 ALA HA 1 1
1 915 2 2 24 ALA HB1 H 36.009 34.595 3.745 1.00 . B B . 25 ALA HB1 1 1
1 916 2 2 24 ALA HB2 H 35.480 35.989 2.802 1.00 . B B . 25 ALA HB2 1 1
1 917 2 2 24 ALA HB3 H 36.270 34.630 2.001 1.00 . B B . 25 ALA HB3 1 1
1 918 2 2 24 ALA N N 38.555 34.932 3.669 1.00 . B B . 25 ALA N 1 1
1 919 2 2 24 ALA O O 37.650 38.227 3.684 1.00 . B B . 25 ALA O 1 1
1 920 2 2 25 LEU C C 38.152 38.558 6.568 1.00 . B B . 26 LEU C 1 1
1 921 2 2 25 LEU CA C 36.840 37.829 6.295 1.00 . B B . 26 LEU CA 1 1
1 922 2 2 25 LEU CB C 36.320 37.232 7.605 1.00 . B B . 26 LEU CB 1 1
1 923 2 2 25 LEU CD1 C 34.461 35.665 7.032 1.00 . B B . 26 LEU CD1 1 1
1 924 2 2 25 LEU CD2 C 34.195 37.284 8.915 1.00 . B B . 26 LEU CD2 1 1
1 925 2 2 25 LEU CG C 34.802 37.072 7.526 1.00 . B B . 26 LEU CG 1 1
1 926 2 2 25 LEU H H 36.879 35.845 5.543 1.00 . B B . 26 LEU H 1 1
1 927 2 2 25 LEU HA H 36.116 38.537 5.922 1.00 . B B . 26 LEU HA 1 1
1 928 2 2 25 LEU HB2 H 36.777 36.267 7.766 1.00 . B B . 26 LEU HB2 1 1
1 929 2 2 25 LEU HB3 H 36.569 37.890 8.424 1.00 . B B . 26 LEU HB3 1 1
1 930 2 2 25 LEU HD11 H 34.990 35.469 6.111 1.00 . B B . 26 LEU HD11 1 1
1 931 2 2 25 LEU HD12 H 34.754 34.941 7.777 1.00 . B B . 26 LEU HD12 1 1
1 932 2 2 25 LEU HD13 H 33.397 35.593 6.858 1.00 . B B . 26 LEU HD13 1 1
1 933 2 2 25 LEU HD21 H 34.773 36.739 9.647 1.00 . B B . 26 LEU HD21 1 1
1 934 2 2 25 LEU HD22 H 34.209 38.337 9.157 1.00 . B B . 26 LEU HD22 1 1
1 935 2 2 25 LEU HD23 H 33.176 36.926 8.922 1.00 . B B . 26 LEU HD23 1 1
1 936 2 2 25 LEU HG H 34.398 37.802 6.839 1.00 . B B . 26 LEU HG 1 1
1 937 2 2 25 LEU N N 37.038 36.781 5.298 1.00 . B B . 26 LEU N 1 1
1 938 2 2 25 LEU O O 38.166 39.755 6.856 1.00 . B B . 26 LEU O 1 1
1 939 2 2 26 LEU C C 40.914 39.415 5.621 1.00 . B B . 27 LEU C 1 1
1 940 2 2 26 LEU CA C 40.573 38.404 6.712 1.00 . B B . 27 LEU CA 1 1
1 941 2 2 26 LEU CB C 41.645 37.314 6.734 1.00 . B B . 27 LEU CB 1 1
1 942 2 2 26 LEU CD1 C 42.337 35.261 7.980 1.00 . B B . 27 LEU CD1 1 1
1 943 2 2 26 LEU CD2 C 42.368 37.483 9.119 1.00 . B B . 27 LEU CD2 1 1
1 944 2 2 26 LEU CG C 41.634 36.614 8.095 1.00 . B B . 27 LEU CG 1 1
1 945 2 2 26 LEU H H 39.183 36.872 6.241 1.00 . B B . 27 LEU H 1 1
1 946 2 2 26 LEU HA H 40.566 38.907 7.667 1.00 . B B . 27 LEU HA 1 1
1 947 2 2 26 LEU HB2 H 41.441 36.592 5.956 1.00 . B B . 27 LEU HB2 1 1
1 948 2 2 26 LEU HB3 H 42.615 37.758 6.568 1.00 . B B . 27 LEU HB3 1 1
1 949 2 2 26 LEU HD11 H 43.092 35.311 7.209 1.00 . B B . 27 LEU HD11 1 1
1 950 2 2 26 LEU HD12 H 42.801 35.015 8.923 1.00 . B B . 27 LEU HD12 1 1
1 951 2 2 26 LEU HD13 H 41.613 34.500 7.725 1.00 . B B . 27 LEU HD13 1 1
1 952 2 2 26 LEU HD21 H 42.143 38.523 8.936 1.00 . B B . 27 LEU HD21 1 1
1 953 2 2 26 LEU HD22 H 42.046 37.215 10.114 1.00 . B B . 27 LEU HD22 1 1
1 954 2 2 26 LEU HD23 H 43.432 37.323 9.029 1.00 . B B . 27 LEU HD23 1 1
1 955 2 2 26 LEU HG H 40.612 36.464 8.413 1.00 . B B . 27 LEU HG 1 1
1 956 2 2 26 LEU N N 39.255 37.821 6.474 1.00 . B B . 27 LEU N 1 1
1 957 2 2 26 LEU O O 41.157 40.589 5.897 1.00 . B B . 27 LEU O 1 1
1 958 2 2 27 GLU C C 40.274 40.995 3.182 1.00 . B B . 28 GLU C 1 1
1 959 2 2 27 GLU CA C 41.239 39.810 3.239 1.00 . B B . 28 GLU CA 1 1
1 960 2 2 27 GLU CB C 41.142 39.021 1.929 1.00 . B B . 28 GLU CB 1 1
1 961 2 2 27 GLU CD C 42.344 39.041 -0.261 1.00 . B B . 28 GLU CD 1 1
1 962 2 2 27 GLU CG C 41.603 39.897 0.760 1.00 . B B . 28 GLU CG 1 1
1 963 2 2 27 GLU H H 40.722 37.998 4.218 1.00 . B B . 28 GLU H 1 1
1 964 2 2 27 GLU HA H 42.247 40.184 3.348 1.00 . B B . 28 GLU HA 1 1
1 965 2 2 27 GLU HB2 H 41.770 38.144 1.992 1.00 . B B . 28 GLU HB2 1 1
1 966 2 2 27 GLU HB3 H 40.118 38.719 1.767 1.00 . B B . 28 GLU HB3 1 1
1 967 2 2 27 GLU HG2 H 40.741 40.352 0.293 1.00 . B B . 28 GLU HG2 1 1
1 968 2 2 27 GLU HG3 H 42.262 40.669 1.128 1.00 . B B . 28 GLU HG3 1 1
1 969 2 2 27 GLU N N 40.926 38.943 4.376 1.00 . B B . 28 GLU N 1 1
1 970 2 2 27 GLU O O 40.679 42.135 2.960 1.00 . B B . 28 GLU O 1 1
1 971 2 2 27 GLU OE1 O 41.902 37.931 -0.507 1.00 . B B . 28 GLU OE1 1 1
1 972 2 2 27 GLU OE2 O 43.343 39.508 -0.783 1.00 . B B . 28 GLU OE2 1 1
1 973 2 2 28 GLN C C 38.285 42.856 4.366 1.00 . B B . 29 GLN C 1 1
1 974 2 2 28 GLN CA C 37.964 41.751 3.359 1.00 . B B . 29 GLN CA 1 1
1 975 2 2 28 GLN CB C 36.593 41.160 3.693 1.00 . B B . 29 GLN CB 1 1
1 976 2 2 28 GLN CD C 34.183 41.233 3.056 1.00 . B B . 29 GLN CD 1 1
1 977 2 2 28 GLN CG C 35.500 42.001 3.032 1.00 . B B . 29 GLN CG 1 1
1 978 2 2 28 GLN H H 38.729 39.779 3.557 1.00 . B B . 29 GLN H 1 1
1 979 2 2 28 GLN HA H 37.927 42.179 2.369 1.00 . B B . 29 GLN HA 1 1
1 980 2 2 28 GLN HB2 H 36.540 40.145 3.325 1.00 . B B . 29 GLN HB2 1 1
1 981 2 2 28 GLN HB3 H 36.450 41.163 4.763 1.00 . B B . 29 GLN HB3 1 1
1 982 2 2 28 GLN HE21 H 33.575 41.940 1.303 1.00 . B B . 29 GLN HE21 1 1
1 983 2 2 28 GLN HE22 H 32.502 40.867 2.064 1.00 . B B . 29 GLN HE22 1 1
1 984 2 2 28 GLN HG2 H 35.385 42.930 3.572 1.00 . B B . 29 GLN HG2 1 1
1 985 2 2 28 GLN HG3 H 35.774 42.210 2.009 1.00 . B B . 29 GLN HG3 1 1
1 986 2 2 28 GLN N N 38.991 40.707 3.387 1.00 . B B . 29 GLN N 1 1
1 987 2 2 28 GLN NE2 N 33.351 41.357 2.058 1.00 . B B . 29 GLN NE2 1 1
1 988 2 2 28 GLN O O 37.949 44.022 4.157 1.00 . B B . 29 GLN O 1 1
1 989 2 2 28 GLN OE1 O 33.901 40.500 4.004 1.00 . B B . 29 GLN OE1 1 1
1 990 2 2 29 GLN C C 40.691 44.024 6.202 1.00 . B B . 30 GLN C 1 1
1 991 2 2 29 GLN CA C 39.311 43.441 6.490 1.00 . B B . 30 GLN CA 1 1
1 992 2 2 29 GLN CB C 39.328 42.773 7.866 1.00 . B B . 30 GLN CB 1 1
1 993 2 2 29 GLN CD C 38.552 43.239 10.191 1.00 . B B . 30 GLN CD 1 1
1 994 2 2 29 GLN CG C 39.211 43.842 8.955 1.00 . B B . 30 GLN CG 1 1
1 995 2 2 29 GLN H H 39.188 41.533 5.570 1.00 . B B . 30 GLN H 1 1
1 996 2 2 29 GLN HA H 38.586 44.241 6.498 1.00 . B B . 30 GLN HA 1 1
1 997 2 2 29 GLN HB2 H 38.497 42.087 7.943 1.00 . B B . 30 GLN HB2 1 1
1 998 2 2 29 GLN HB3 H 40.254 42.234 7.993 1.00 . B B . 30 GLN HB3 1 1
1 999 2 2 29 GLN HE21 H 37.096 44.588 10.247 1.00 . B B . 30 GLN HE21 1 1
1 1000 2 2 29 GLN HE22 H 37.044 43.413 11.471 1.00 . B B . 30 GLN HE22 1 1
1 1001 2 2 29 GLN HG2 H 40.196 44.204 9.211 1.00 . B B . 30 GLN HG2 1 1
1 1002 2 2 29 GLN HG3 H 38.609 44.662 8.592 1.00 . B B . 30 GLN HG3 1 1
1 1003 2 2 29 GLN N N 38.944 42.476 5.457 1.00 . B B . 30 GLN N 1 1
1 1004 2 2 29 GLN NE2 N 37.475 43.793 10.677 1.00 . B B . 30 GLN NE2 1 1
1 1005 2 2 29 GLN O O 40.962 45.190 6.487 1.00 . B B . 30 GLN O 1 1
1 1006 2 2 29 GLN OE1 O 39.028 42.241 10.731 1.00 . B B . 30 GLN OE1 1 1
1 1007 2 2 30 VAL C C 42.888 44.597 4.119 1.00 . B B . 31 VAL C 1 1
1 1008 2 2 30 VAL CA C 42.914 43.629 5.301 1.00 . B B . 31 VAL CA 1 1
1 1009 2 2 30 VAL CB C 43.788 42.416 4.951 1.00 . B B . 31 VAL CB 1 1
1 1010 2 2 30 VAL CG1 C 45.230 42.867 4.694 1.00 . B B . 31 VAL CG1 1 1
1 1011 2 2 30 VAL CG2 C 43.767 41.417 6.117 1.00 . B B . 31 VAL CG2 1 1
1 1012 2 2 30 VAL H H 41.285 42.276 5.426 1.00 . B B . 31 VAL H 1 1
1 1013 2 2 30 VAL HA H 43.340 44.131 6.157 1.00 . B B . 31 VAL HA 1 1
1 1014 2 2 30 VAL HB H 43.399 41.941 4.063 1.00 . B B . 31 VAL HB 1 1
1 1015 2 2 30 VAL HG11 H 45.477 43.681 5.359 1.00 . B B . 31 VAL HG11 1 1
1 1016 2 2 30 VAL HG12 H 45.902 42.040 4.871 1.00 . B B . 31 VAL HG12 1 1
1 1017 2 2 30 VAL HG13 H 45.326 43.196 3.670 1.00 . B B . 31 VAL HG13 1 1
1 1018 2 2 30 VAL HG21 H 42.931 41.634 6.766 1.00 . B B . 31 VAL HG21 1 1
1 1019 2 2 30 VAL HG22 H 43.669 40.415 5.728 1.00 . B B . 31 VAL HG22 1 1
1 1020 2 2 30 VAL HG23 H 44.686 41.495 6.679 1.00 . B B . 31 VAL HG23 1 1
1 1021 2 2 30 VAL N N 41.559 43.194 5.630 1.00 . B B . 31 VAL N 1 1
1 1022 2 2 30 VAL O O 43.708 45.511 4.029 1.00 . B B . 31 VAL O 1 1
1 1023 2 2 31 ARG C C 41.422 46.661 2.457 1.00 . B B . 32 ARG C 1 1
1 1024 2 2 31 ARG CA C 41.810 45.246 2.041 1.00 . B B . 32 ARG CA 1 1
1 1025 2 2 31 ARG CB C 40.748 44.698 1.087 1.00 . B B . 32 ARG CB 1 1
1 1026 2 2 31 ARG CD C 39.865 45.070 -1.221 1.00 . B B . 32 ARG CD 1 1
1 1027 2 2 31 ARG CG C 41.124 45.053 -0.353 1.00 . B B . 32 ARG CG 1 1
1 1028 2 2 31 ARG CZ C 39.292 45.367 -3.590 1.00 . B B . 32 ARG CZ 1 1
1 1029 2 2 31 ARG H H 41.309 43.643 3.339 1.00 . B B . 32 ARG H 1 1
1 1030 2 2 31 ARG HA H 42.758 45.278 1.527 1.00 . B B . 32 ARG HA 1 1
1 1031 2 2 31 ARG HB2 H 40.689 43.624 1.191 1.00 . B B . 32 ARG HB2 1 1
1 1032 2 2 31 ARG HB3 H 39.790 45.136 1.325 1.00 . B B . 32 ARG HB3 1 1
1 1033 2 2 31 ARG HD2 H 39.416 44.088 -1.215 1.00 . B B . 32 ARG HD2 1 1
1 1034 2 2 31 ARG HD3 H 39.163 45.784 -0.814 1.00 . B B . 32 ARG HD3 1 1
1 1035 2 2 31 ARG HE H 41.099 45.753 -2.804 1.00 . B B . 32 ARG HE 1 1
1 1036 2 2 31 ARG HG2 H 41.589 46.028 -0.373 1.00 . B B . 32 ARG HG2 1 1
1 1037 2 2 31 ARG HG3 H 41.814 44.317 -0.737 1.00 . B B . 32 ARG HG3 1 1
1 1038 2 2 31 ARG HH11 H 37.783 44.688 -2.448 1.00 . B B . 32 ARG HH11 1 1
1 1039 2 2 31 ARG HH12 H 37.413 44.910 -4.123 1.00 . B B . 32 ARG HH12 1 1
1 1040 2 2 31 ARG HH21 H 40.574 46.027 -4.980 1.00 . B B . 32 ARG HH21 1 1
1 1041 2 2 31 ARG HH22 H 38.978 45.661 -5.546 1.00 . B B . 32 ARG HH22 1 1
1 1042 2 2 31 ARG N N 41.936 44.386 3.215 1.00 . B B . 32 ARG N 1 1
1 1043 2 2 31 ARG NE N 40.193 45.441 -2.599 1.00 . B B . 32 ARG NE 1 1
1 1044 2 2 31 ARG NH1 N 38.067 44.956 -3.368 1.00 . B B . 32 ARG NH1 1 1
1 1045 2 2 31 ARG NH2 N 39.642 45.712 -4.800 1.00 . B B . 32 ARG NH2 1 1
1 1046 2 2 31 ARG O O 41.887 47.643 1.879 1.00 . B B . 32 ARG O 1 1
1 1047 2 2 32 ALA C C 41.241 48.749 4.722 1.00 . B B . 33 ALA C 1 1
1 1048 2 2 32 ALA CA C 40.117 48.053 3.961 1.00 . B B . 33 ALA CA 1 1
1 1049 2 2 32 ALA CB C 38.913 47.890 4.889 1.00 . B B . 33 ALA CB 1 1
1 1050 2 2 32 ALA H H 40.228 45.935 3.892 1.00 . B B . 33 ALA H 1 1
1 1051 2 2 32 ALA HA H 39.830 48.666 3.120 1.00 . B B . 33 ALA HA 1 1
1 1052 2 2 32 ALA HB1 H 39.160 47.200 5.682 1.00 . B B . 33 ALA HB1 1 1
1 1053 2 2 32 ALA HB2 H 38.654 48.849 5.314 1.00 . B B . 33 ALA HB2 1 1
1 1054 2 2 32 ALA HB3 H 38.074 47.508 4.326 1.00 . B B . 33 ALA HB3 1 1
1 1055 2 2 32 ALA N N 40.565 46.753 3.469 1.00 . B B . 33 ALA N 1 1
1 1056 2 2 32 ALA O O 41.351 49.975 4.711 1.00 . B B . 33 ALA O 1 1
1 1057 2 2 33 LEU C C 44.499 48.328 5.383 1.00 . B B . 34 LEU C 1 1
1 1058 2 2 33 LEU CA C 43.191 48.500 6.149 1.00 . B B . 34 LEU CA 1 1
1 1059 2 2 33 LEU CB C 43.310 47.795 7.502 1.00 . B B . 34 LEU CB 1 1
1 1060 2 2 33 LEU CD1 C 40.988 47.838 8.423 1.00 . B B . 34 LEU CD1 1 1
1 1061 2 2 33 LEU CD2 C 42.935 48.274 9.924 1.00 . B B . 34 LEU CD2 1 1
1 1062 2 2 33 LEU CG C 42.379 48.468 8.512 1.00 . B B . 34 LEU CG 1 1
1 1063 2 2 33 LEU H H 41.939 46.982 5.356 1.00 . B B . 34 LEU H 1 1
1 1064 2 2 33 LEU HA H 43.018 49.552 6.318 1.00 . B B . 34 LEU HA 1 1
1 1065 2 2 33 LEU HB2 H 43.034 46.756 7.392 1.00 . B B . 34 LEU HB2 1 1
1 1066 2 2 33 LEU HB3 H 44.328 47.862 7.855 1.00 . B B . 34 LEU HB3 1 1
1 1067 2 2 33 LEU HD11 H 41.080 46.797 8.151 1.00 . B B . 34 LEU HD11 1 1
1 1068 2 2 33 LEU HD12 H 40.495 47.918 9.380 1.00 . B B . 34 LEU HD12 1 1
1 1069 2 2 33 LEU HD13 H 40.406 48.356 7.674 1.00 . B B . 34 LEU HD13 1 1
1 1070 2 2 33 LEU HD21 H 44.013 48.345 9.900 1.00 . B B . 34 LEU HD21 1 1
1 1071 2 2 33 LEU HD22 H 42.539 49.039 10.575 1.00 . B B . 34 LEU HD22 1 1
1 1072 2 2 33 LEU HD23 H 42.647 47.301 10.294 1.00 . B B . 34 LEU HD23 1 1
1 1073 2 2 33 LEU HG H 42.311 49.523 8.291 1.00 . B B . 34 LEU HG 1 1
1 1074 2 2 33 LEU N N 42.075 47.952 5.383 1.00 . B B . 34 LEU N 1 1
1 1075 2 2 33 LEU O O 45.229 47.358 5.589 1.00 . B B . 34 LEU O 1 1
1 1076 2 2 34 NH2 HN1 H 44.262 49.996 4.332 1.00 . B B . 35 NH2 HN1 1 1
1 1077 2 2 34 NH2 HN2 H 45.680 49.124 4.000 1.00 . B B . 35 NH2 HN2 1 1
1 1078 2 2 34 NH2 N N 44.842 49.223 4.498 1.00 . B B . 35 NH2 N 1 1
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