NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
378587 |
1hfg   |
4914 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 773 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1hfg
# This FRED archive file contains, for PDB entry <1hfg>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1hfg
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1hfg
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 8134.60
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 $VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II A . 1 1
stop_
save_
save_VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "VIRAL MACROPHAGE INFLAMMATORY PROTEIN II"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code LGASWHRPDKCCLGYQKRPLPQVLLSSWYPTSQLCSKPGVIFLTKRGRQVCADKSKDWVKKLMQQLPVTAR
_Entity.Number_of_monomers 71
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 LEU . 1 1
2 GLY . 1 1
3 ALA . 1 1
4 SER . 1 1
5 TRP . 1 1
6 HIS . 1 1
7 ARG . 1 1
8 PRO . 1 1
9 ASP . 1 1
10 LYS . 1 1
11 CYS . 1 1
12 CYS . 1 1
13 LEU . 1 1
14 GLY . 1 1
15 TYR . 1 1
16 GLN . 1 1
17 LYS . 1 1
18 ARG . 1 1
19 PRO . 1 1
20 LEU . 1 1
21 PRO . 1 1
22 GLN . 1 1
23 VAL . 1 1
24 LEU . 1 1
25 LEU . 1 1
26 SER . 1 1
27 SER . 1 1
28 TRP . 1 1
29 TYR . 1 1
30 PRO . 1 1
31 THR . 1 1
32 SER . 1 1
33 GLN . 1 1
34 LEU . 1 1
35 CYS . 1 1
36 SER . 1 1
37 LYS . 1 1
38 PRO . 1 1
39 GLY . 1 1
40 VAL . 1 1
41 ILE . 1 1
42 PHE . 1 1
43 LEU . 1 1
44 THR . 1 1
45 LYS . 1 1
46 ARG . 1 1
47 GLY . 1 1
48 ARG . 1 1
49 GLN . 1 1
50 VAL . 1 1
51 CYS . 1 1
52 ALA . 1 1
53 ASP . 1 1
54 LYS . 1 1
55 SER . 1 1
56 LYS . 1 1
57 ASP . 1 1
58 TRP . 1 1
59 VAL . 1 1
60 LYS . 1 1
61 LYS . 1 1
62 LEU . 1 1
63 MET . 1 1
64 GLN . 1 1
65 GLN . 1 1
66 LEU . 1 1
67 PRO . 1 1
68 VAL . 1 1
69 THR . 1 1
70 ALA . 1 1
71 ARG . 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
LEU 1 1 1 1
GLY 2 2 1 1
ALA 3 3 1 1
SER 4 4 1 1
TRP 5 5 1 1
HIS 6 6 1 1
ARG 7 7 1 1
PRO 8 8 1 1
ASP 9 9 1 1
LYS 10 10 1 1
CYS 11 11 1 1
CYS 12 12 1 1
LEU 13 13 1 1
GLY 14 14 1 1
TYR 15 15 1 1
GLN 16 16 1 1
LYS 17 17 1 1
ARG 18 18 1 1
PRO 19 19 1 1
LEU 20 20 1 1
PRO 21 21 1 1
GLN 22 22 1 1
VAL 23 23 1 1
LEU 24 24 1 1
LEU 25 25 1 1
SER 26 26 1 1
SER 27 27 1 1
TRP 28 28 1 1
TYR 29 29 1 1
PRO 30 30 1 1
THR 31 31 1 1
SER 32 32 1 1
GLN 33 33 1 1
LEU 34 34 1 1
CYS 35 35 1 1
SER 36 36 1 1
LYS 37 37 1 1
PRO 38 38 1 1
GLY 39 39 1 1
VAL 40 40 1 1
ILE 41 41 1 1
PHE 42 42 1 1
LEU 43 43 1 1
THR 44 44 1 1
LYS 45 45 1 1
ARG 46 46 1 1
GLY 47 47 1 1
ARG 48 48 1 1
GLN 49 49 1 1
VAL 50 50 1 1
CYS 51 51 1 1
ALA 52 52 1 1
ASP 53 53 1 1
LYS 54 54 1 1
SER 55 55 1 1
LYS 56 56 1 1
ASP 57 57 1 1
TRP 58 58 1 1
VAL 59 59 1 1
LYS 60 60 1 1
LYS 61 61 1 1
LEU 62 62 1 1
MET 63 63 1 1
GLN 64 64 1 1
GLN 65 65 1 1
LEU 66 66 1 1
PRO 67 67 1 1
VAL 68 68 1 1
THR 69 69 1 1
ALA 70 70 1 1
ARG 71 71 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7_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
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 15 TYR QE . 15 . HE# 1 1
1 1 2 1 1 39 GLY QA . 39 . HA# 1 1
2 1 1 1 1 15 TYR QE . 15 . HE# 1 1
2 1 2 1 1 52 ALA MB . 52 . HB# 1 1
3 1 1 1 1 15 TYR QE . 15 . HE# 1 1
3 1 2 1 1 52 ALA HA . 52 . HA 1 1
4 1 1 1 1 15 TYR QD . 15 . HD# 1 1
4 1 2 1 1 51 CYS HB3 . 51 . HB1 1 1
5 1 1 1 1 15 TYR QD . 15 . HD# 1 1
5 1 2 1 1 53 ASP HA . 53 . HA 1 1
6 1 1 1 1 15 TYR QE . 15 . HE# 1 1
6 1 2 1 1 53 ASP HA . 53 . HA 1 1
7 1 1 1 1 29 TYR QD . 29 . HD# 1 1
7 1 2 1 1 41 ILE HB . 41 . HB 1 1
8 1 1 1 1 29 TYR QE . 29 . HE# 1 1
8 1 2 1 1 41 ILE HB . 41 . HB 1 1
9 1 1 1 1 10 LYS QD . 10 . HD# 1 1
9 1 2 1 1 29 TYR QE . 29 . HE# 1 1
10 1 1 1 1 29 TYR QD . 29 . HD# 1 1
10 1 2 1 1 41 ILE MG . 41 . HG2# 1 1
11 1 1 1 1 29 TYR QE . 29 . HE# 1 1
11 1 2 1 1 41 ILE MG . 41 . HG2# 1 1
12 1 1 1 1 29 TYR QD . 29 . HD# 1 1
12 1 2 1 1 43 LEU QD . 43 . HD# 1 1
13 1 1 1 1 29 TYR QE . 29 . HE# 1 1
13 1 2 1 1 43 LEU QD . 43 . HD# 1 1
14 1 1 1 1 29 TYR QD . 29 . HD# 1 1
14 1 2 1 1 69 THR MG . 69 . HG2# 1 1
15 1 1 1 1 29 TYR QE . 29 . HE# 1 1
15 1 2 1 1 69 THR MG . 69 . HG2# 1 1
16 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 1
16 1 2 1 1 42 PHE QD . 42 . HD# 1 1
17 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 1
17 1 2 1 1 42 PHE QD . 42 . HD# 1 1
18 1 1 1 1 28 TRP HA . 28 . HA 1 1
18 1 2 1 1 42 PHE QD . 42 . HD# 1 1
19 1 1 1 1 42 PHE QD . 42 . HD# 1 1
19 1 2 1 1 50 VAL HB . 50 . HB 1 1
20 1 1 1 1 42 PHE QD . 42 . HD# 1 1
20 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 1
21 1 1 1 1 42 PHE QD . 42 . HD# 1 1
21 1 2 1 1 52 ALA MB . 52 . HB# 1 1
22 1 1 1 1 28 TRP QB . 28 . HB# 1 1
22 1 2 1 1 42 PHE QD . 42 . HD# 1 1
23 1 1 1 1 42 PHE QE . 42 . HE# 1 1
23 1 2 1 1 52 ALA MB . 52 . HB# 1 1
24 1 1 1 1 42 PHE QE . 42 . HE# 1 1
24 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 1
25 1 1 1 1 42 PHE QE . 42 . HE# 1 1
25 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 1
26 1 1 1 1 42 PHE QE . 42 . HE# 1 1
26 1 2 1 1 62 LEU HB2 . 62 . HB2 1 1
27 1 1 1 1 42 PHE QE . 42 . HE# 1 1
27 1 2 1 1 63 MET QG . 63 . HG# 1 1
28 1 1 1 1 42 PHE QD . 42 . HD# 1 1
28 1 2 1 1 66 LEU QD . 66 . HD# 1 1
29 1 1 1 1 42 PHE QE . 42 . HE# 1 1
29 1 2 1 1 66 LEU QD . 66 . HD# 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 . . . . . 3.0 1.8 5.0 1 1
2 1 . . . . . 4.0 1.8 6.5 1 1
3 1 . . . . . 4.0 1.8 5.5 1 1
4 1 . . . . . 4.0 1.8 5.0 1 1
5 1 . . . . . 4.0 1.8 5.0 1 1
6 1 . . . . . 3.0 1.8 4.0 1 1
7 1 . . . . . 4.0 1.8 5.0 1 1
8 1 . . . . . 4.0 1.8 5.0 1 1
9 1 . . . . . 4.0 1.8 5.5 1 1
10 1 . . . . . 3.0 1.8 4.5 1 1
11 1 . . . . . 3.0 1.8 4.5 1 1
12 1 . . . . . 3.0 1.8 5.5 1 1
13 1 . . . . . 3.0 1.8 5.5 1 1
14 1 . . . . . 3.0 1.8 4.5 1 1
15 1 . . . . . 5.0 1.8 6.5 1 1
16 1 . . . . . 3.0 1.8 4.5 1 1
17 1 . . . . . 3.0 1.8 4.5 1 1
18 1 . . . . . 3.0 1.8 5.0 1 1
19 1 . . . . . 4.0 1.8 5.0 1 1
20 1 . . . . . 4.0 1.8 5.5 1 1
21 1 . . . . . 3.0 1.8 4.5 1 1
22 1 . . . . . 3.0 1.8 5.5 1 1
23 1 . . . . . 3.0 1.8 4.5 1 1
24 1 . . . . . 2.4 1.6 3.9 1 1
25 1 . . . . . 3.0 1.8 4.5 1 1
26 1 . . . . . 3.0 1.8 4.5 1 1
27 1 . . . . . 5.0 1.8 7.5 1 1
28 1 . . . . . 3.0 1.8 6.5 1 1
29 1 . . . . . 3.0 1.8 6.5 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_17_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
120 1 . . . 1 2
121 1 . . . 1 2
122 1 . . . 1 2
123 1 . . . 1 2
124 1 . . . 1 2
125 1 . . . 1 2
126 1 . . . 1 2
127 1 . . . 1 2
128 1 . . . 1 2
129 1 . . . 1 2
130 1 . . . 1 2
131 1 . . . 1 2
132 1 . . . 1 2
133 1 . . . 1 2
134 1 . . . 1 2
135 1 . . . 1 2
136 1 . . . 1 2
137 1 . . . 1 2
138 1 . . . 1 2
139 1 . . . 1 2
140 1 . . . 1 2
141 1 . . . 1 2
142 1 . . . 1 2
143 1 . . . 1 2
144 1 . . . 1 2
145 1 . . . 1 2
146 1 . . . 1 2
147 1 . . . 1 2
148 1 . . . 1 2
149 1 . . . 1 2
150 1 . . . 1 2
151 1 . . . 1 2
152 1 . . . 1 2
153 1 . . . 1 2
154 1 . . . 1 2
155 1 . . . 1 2
156 1 . . . 1 2
157 1 . . . 1 2
158 1 . . . 1 2
159 1 . . . 1 2
160 1 . . . 1 2
161 1 . . . 1 2
162 1 . . . 1 2
163 1 . . . 1 2
164 1 . . . 1 2
165 1 . . . 1 2
166 1 . . . 1 2
167 1 . . . 1 2
168 1 . . . 1 2
169 1 . . . 1 2
170 1 . . . 1 2
171 1 . . . 1 2
172 1 . . . 1 2
173 1 . . . 1 2
174 1 . . . 1 2
175 1 . . . 1 2
176 1 . . . 1 2
177 1 . . . 1 2
178 1 . . . 1 2
179 1 . . . 1 2
180 1 . . . 1 2
181 1 . . . 1 2
182 1 . . . 1 2
183 1 . . . 1 2
184 1 . . . 1 2
185 1 . . . 1 2
186 1 . . . 1 2
187 1 . . . 1 2
188 1 . . . 1 2
189 1 . . . 1 2
190 1 . . . 1 2
191 1 . . . 1 2
192 1 . . . 1 2
193 1 . . . 1 2
194 1 . . . 1 2
195 1 . . . 1 2
196 1 . . . 1 2
197 1 . . . 1 2
198 1 . . . 1 2
199 1 . . . 1 2
200 1 . . . 1 2
201 1 . . . 1 2
202 1 . . . 1 2
203 1 . . . 1 2
204 1 . . . 1 2
205 1 . . . 1 2
206 1 . . . 1 2
207 1 . . . 1 2
208 1 . . . 1 2
209 1 . . . 1 2
210 1 . . . 1 2
211 1 . . . 1 2
212 1 . . . 1 2
213 1 . . . 1 2
214 1 . . . 1 2
215 1 . . . 1 2
216 1 . . . 1 2
217 1 . . . 1 2
218 1 . . . 1 2
219 1 . . . 1 2
220 1 . . . 1 2
221 1 . . . 1 2
222 1 . . . 1 2
223 1 . . . 1 2
224 1 . . . 1 2
225 1 . . . 1 2
226 1 . . . 1 2
227 1 . . . 1 2
228 1 . . . 1 2
229 1 . . . 1 2
230 1 . . . 1 2
231 1 . . . 1 2
232 1 . . . 1 2
233 1 . . . 1 2
234 1 . . . 1 2
235 1 . . . 1 2
236 1 . . . 1 2
237 1 . . . 1 2
238 1 . . . 1 2
239 1 . . . 1 2
240 1 . . . 1 2
241 1 . . . 1 2
242 1 . . . 1 2
243 1 . . . 1 2
244 1 . . . 1 2
245 1 . . . 1 2
246 1 . . . 1 2
247 1 . . . 1 2
248 1 . . . 1 2
249 1 . . . 1 2
250 1 . . . 1 2
251 1 . . . 1 2
252 1 . . . 1 2
253 1 . . . 1 2
254 1 . . . 1 2
255 1 . . . 1 2
256 1 . . . 1 2
257 1 . . . 1 2
258 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 3 ALA H . 3 . HN 1 2
1 1 2 1 1 3 ALA HA . 3 . HA 1 2
2 1 1 1 1 5 TRP H . 5 . HN 1 2
2 1 2 1 1 5 TRP HA . 5 . HA 1 2
3 1 1 1 1 9 ASP H . 9 . HN 1 2
3 1 2 1 1 9 ASP HA . 9 . HA 1 2
4 1 1 1 1 10 LYS H . 10 . HN 1 2
4 1 2 1 1 10 LYS HA . 10 . HA 1 2
5 1 1 1 1 16 GLN H . 16 . HN 1 2
5 1 2 1 1 16 GLN HA . 16 . HA 1 2
6 1 1 1 1 17 LYS H . 17 . HN 1 2
6 1 2 1 1 17 LYS HA . 17 . HA 1 2
7 1 1 1 1 22 GLN H . 22 . HN 1 2
7 1 2 1 1 22 GLN HA . 22 . HA 1 2
8 1 1 1 1 23 VAL H . 23 . HN 1 2
8 1 2 1 1 23 VAL HA . 23 . HA 1 2
9 1 1 1 1 24 LEU H . 24 . HN 1 2
9 1 2 1 1 24 LEU HA . 24 . HA 1 2
10 1 1 1 1 27 SER H . 27 . HN 1 2
10 1 2 1 1 27 SER HA . 27 . HA 1 2
11 1 1 1 1 28 TRP H . 28 . HN 1 2
11 1 2 1 1 28 TRP HA . 28 . HA 1 2
12 1 1 1 1 29 TYR H . 29 . HN 1 2
12 1 2 1 1 29 TYR HA . 29 . HA 1 2
13 1 1 1 1 31 THR H . 31 . HN 1 2
13 1 2 1 1 31 THR HA . 31 . HA 1 2
14 1 1 1 1 32 SER H . 32 . HN 1 2
14 1 2 1 1 32 SER HA . 32 . HA 1 2
15 1 1 1 1 33 GLN H . 33 . HN 1 2
15 1 2 1 1 33 GLN HA . 33 . HA 1 2
16 1 1 1 1 35 CYS H . 35 . HN 1 2
16 1 2 1 1 35 CYS HA . 35 . HA 1 2
17 1 1 1 1 36 SER H . 36 . HN 1 2
17 1 2 1 1 36 SER HA . 36 . HA 1 2
18 1 1 1 1 41 ILE H . 41 . HN 1 2
18 1 2 1 1 41 ILE HA . 41 . HA 1 2
19 1 1 1 1 42 PHE H . 42 . HN 1 2
19 1 2 1 1 42 PHE HA . 42 . HA 1 2
20 1 1 1 1 43 LEU H . 43 . HN 1 2
20 1 2 1 1 43 LEU HA . 43 . HA 1 2
21 1 1 1 1 45 LYS H . 45 . HN 1 2
21 1 2 1 1 45 LYS HA . 45 . HA 1 2
22 1 1 1 1 47 GLY H . 47 . HN 1 2
22 1 2 1 1 47 GLY HA3 . 47 . HA1 1 2
23 1 1 1 1 47 GLY H . 47 . HN 1 2
23 1 2 1 1 47 GLY HA2 . 47 . HA2 1 2
24 1 1 1 1 49 GLN H . 49 . HN 1 2
24 1 2 1 1 49 GLN HA . 49 . HA 1 2
25 1 1 1 1 50 VAL H . 50 . HN 1 2
25 1 2 1 1 50 VAL HA . 50 . HA 1 2
26 1 1 1 1 51 CYS H . 51 . HN 1 2
26 1 2 1 1 51 CYS HA . 51 . HA 1 2
27 1 1 1 1 52 ALA H . 52 . HN 1 2
27 1 2 1 1 52 ALA HA . 52 . HA 1 2
28 1 1 1 1 53 ASP H . 53 . HN 1 2
28 1 2 1 1 53 ASP HA . 53 . HA 1 2
29 1 1 1 1 54 LYS H . 54 . HN 1 2
29 1 2 1 1 54 LYS HA . 54 . HA 1 2
30 1 1 1 1 55 SER H . 55 . HN 1 2
30 1 2 1 1 55 SER HA . 55 . HA 1 2
31 1 1 1 1 56 LYS H . 56 . HN 1 2
31 1 2 1 1 56 LYS HA . 56 . HA 1 2
32 1 1 1 1 57 ASP H . 57 . HN 1 2
32 1 2 1 1 57 ASP HA . 57 . HA 1 2
33 1 1 1 1 58 TRP H . 58 . HN 1 2
33 1 2 1 1 58 TRP HA . 58 . HA 1 2
34 1 1 1 1 59 VAL H . 59 . HN 1 2
34 1 2 1 1 59 VAL HA . 59 . HA 1 2
35 1 1 1 1 60 LYS H . 60 . HN 1 2
35 1 2 1 1 60 LYS HA . 60 . HA 1 2
36 1 1 1 1 61 LYS H . 61 . HN 1 2
36 1 2 1 1 61 LYS HA . 61 . HA 1 2
37 1 1 1 1 63 MET H . 63 . HN 1 2
37 1 2 1 1 63 MET HA . 63 . HA 1 2
38 1 1 1 1 64 GLN H . 64 . HN 1 2
38 1 2 1 1 64 GLN HA . 64 . HA 1 2
39 1 1 1 1 65 GLN H . 65 . HN 1 2
39 1 2 1 1 65 GLN HA . 65 . HA 1 2
40 1 1 1 1 66 LEU H . 66 . HN 1 2
40 1 2 1 1 66 LEU HA . 66 . HA 1 2
41 1 1 1 1 68 VAL H . 68 . HN 1 2
41 1 2 1 1 68 VAL HA . 68 . HA 1 2
42 1 1 1 1 69 THR H . 69 . HN 1 2
42 1 2 1 1 69 THR HA . 69 . HA 1 2
43 1 1 1 1 3 ALA H . 3 . HN 1 2
43 1 2 1 1 3 ALA MB . 3 . HB# 1 2
44 1 1 1 1 5 TRP H . 5 . HN 1 2
44 1 2 1 1 5 TRP QB . 5 . HB# 1 2
45 1 1 1 1 9 ASP H . 9 . HN 1 2
45 1 2 1 1 9 ASP QB . 9 . HB# 1 2
46 1 1 1 1 6 HIS H . 6 . HN 1 2
46 1 2 1 1 6 HIS HB3 . 6 . HB1 1 2
47 1 1 1 1 6 HIS H . 6 . HN 1 2
47 1 2 1 1 6 HIS HB2 . 6 . HB2 1 2
48 1 1 1 1 10 LYS H . 10 . HN 1 2
48 1 2 1 1 10 LYS QB . 10 . HB# 1 2
49 1 1 1 1 11 CYS H . 11 . HN 1 2
49 1 2 1 1 11 CYS HB3 . 11 . HB1 1 2
50 1 1 1 1 11 CYS H . 11 . HN 1 2
50 1 2 1 1 11 CYS HB2 . 11 . HB2 1 2
51 1 1 1 1 13 LEU H . 13 . HN 1 2
51 1 2 1 1 13 LEU QB . 13 . HB# 1 2
52 1 1 1 1 15 TYR H . 15 . HN 1 2
52 1 2 1 1 15 TYR HB2 . 15 . HB2 1 2
53 1 1 1 1 15 TYR H . 15 . HN 1 2
53 1 2 1 1 15 TYR HB3 . 15 . HB1 1 2
54 1 1 1 1 16 GLN H . 16 . HN 1 2
54 1 2 1 1 16 GLN HB3 . 16 . HB1 1 2
55 1 1 1 1 16 GLN H . 16 . HN 1 2
55 1 2 1 1 16 GLN HB2 . 16 . HB2 1 2
56 1 1 1 1 17 LYS H . 17 . HN 1 2
56 1 2 1 1 17 LYS QB . 17 . HB# 1 2
57 1 1 1 1 20 LEU H . 20 . HN 1 2
57 1 2 1 1 20 LEU HB3 . 20 . HB1 1 2
58 1 1 1 1 20 LEU H . 20 . HN 1 2
58 1 2 1 1 20 LEU HB2 . 20 . HB2 1 2
59 1 1 1 1 22 GLN H . 22 . HN 1 2
59 1 2 1 1 22 GLN HB3 . 22 . HB1 1 2
60 1 1 1 1 23 VAL H . 23 . HN 1 2
60 1 2 1 1 23 VAL HB . 23 . HB 1 2
61 1 1 1 1 25 LEU H . 25 . HN 1 2
61 1 2 1 1 25 LEU HB2 . 25 . HB2 1 2
62 1 1 1 1 25 LEU H . 25 . HN 1 2
62 1 2 1 1 25 LEU HB3 . 25 . HB1 1 2
63 1 1 1 1 26 SER H . 26 . HN 1 2
63 1 2 1 1 26 SER HB3 . 26 . HB1 1 2
64 1 1 1 1 26 SER H . 26 . HN 1 2
64 1 2 1 1 26 SER HB2 . 26 . HB2 1 2
65 1 1 1 1 27 SER H . 27 . HN 1 2
65 1 2 1 1 27 SER HB3 . 27 . HB1 1 2
66 1 1 1 1 27 SER H . 27 . HN 1 2
66 1 2 1 1 27 SER HB2 . 27 . HB2 1 2
67 1 1 1 1 32 SER H . 32 . HN 1 2
67 1 2 1 1 32 SER HB3 . 32 . HB1 1 2
68 1 1 1 1 32 SER H . 32 . HN 1 2
68 1 2 1 1 32 SER HB2 . 32 . HB2 1 2
69 1 1 1 1 33 GLN H . 33 . HN 1 2
69 1 2 1 1 33 GLN HB3 . 33 . HB1 1 2
70 1 1 1 1 33 GLN H . 33 . HN 1 2
70 1 2 1 1 33 GLN HB2 . 33 . HB2 1 2
71 1 1 1 1 34 LEU H . 34 . HN 1 2
71 1 2 1 1 34 LEU QB . 34 . HB# 1 2
72 1 1 1 1 35 CYS H . 35 . HN 1 2
72 1 2 1 1 35 CYS HB3 . 35 . HB1 1 2
73 1 1 1 1 35 CYS H . 35 . HN 1 2
73 1 2 1 1 35 CYS HB2 . 35 . HB2 1 2
74 1 1 1 1 36 SER H . 36 . HN 1 2
74 1 2 1 1 36 SER QB . 36 . HB# 1 2
75 1 1 1 1 37 LYS H . 37 . HN 1 2
75 1 2 1 1 37 LYS QB . 37 . HB# 1 2
76 1 1 1 1 40 VAL H . 40 . HN 1 2
76 1 2 1 1 40 VAL HB . 40 . HB 1 2
77 1 1 1 1 41 ILE H . 41 . HN 1 2
77 1 2 1 1 41 ILE HB . 41 . HB 1 2
78 1 1 1 1 42 PHE H . 42 . HN 1 2
78 1 2 1 1 42 PHE HB2 . 42 . HB2 1 2
79 1 1 1 1 42 PHE H . 42 . HN 1 2
79 1 2 1 1 42 PHE HB3 . 42 . HB1 1 2
80 1 1 1 1 43 LEU H . 43 . HN 1 2
80 1 2 1 1 43 LEU QB . 43 . HB# 1 2
81 1 1 1 1 45 LYS H . 45 . HN 1 2
81 1 2 1 1 45 LYS HB3 . 45 . HB1 1 2
82 1 1 1 1 46 ARG H . 46 . HN 1 2
82 1 2 1 1 46 ARG HB3 . 46 . HB1 1 2
83 1 1 1 1 46 ARG H . 46 . HN 1 2
83 1 2 1 1 46 ARG HB2 . 46 . HB2 1 2
84 1 1 1 1 48 ARG H . 48 . HN 1 2
84 1 2 1 1 48 ARG HB3 . 48 . HB1 1 2
85 1 1 1 1 48 ARG H . 48 . HN 1 2
85 1 2 1 1 48 ARG HB2 . 48 . HB2 1 2
86 1 1 1 1 49 GLN H . 49 . HN 1 2
86 1 2 1 1 49 GLN HB3 . 49 . HB1 1 2
87 1 1 1 1 49 GLN H . 49 . HN 1 2
87 1 2 1 1 49 GLN HB2 . 49 . HB2 1 2
88 1 1 1 1 50 VAL H . 50 . HN 1 2
88 1 2 1 1 50 VAL HB . 50 . HB 1 2
89 1 1 1 1 51 CYS H . 51 . HN 1 2
89 1 2 1 1 51 CYS HB3 . 51 . HB1 1 2
90 1 1 1 1 51 CYS H . 51 . HN 1 2
90 1 2 1 1 51 CYS HB2 . 51 . HB2 1 2
91 1 1 1 1 52 ALA H . 52 . HN 1 2
91 1 2 1 1 52 ALA MB . 52 . HB# 1 2
92 1 1 1 1 53 ASP H . 53 . HN 1 2
92 1 2 1 1 53 ASP HB3 . 53 . HB1 1 2
93 1 1 1 1 53 ASP H . 53 . HN 1 2
93 1 2 1 1 53 ASP HB2 . 53 . HB2 1 2
94 1 1 1 1 54 LYS H . 54 . HN 1 2
94 1 2 1 1 54 LYS QB . 54 . HB# 1 2
95 1 1 1 1 55 SER H . 55 . HN 1 2
95 1 2 1 1 55 SER HB3 . 55 . HB1 1 2
96 1 1 1 1 55 SER H . 55 . HN 1 2
96 1 2 1 1 55 SER HB2 . 55 . HB2 1 2
97 1 1 1 1 57 ASP H . 57 . HN 1 2
97 1 2 1 1 57 ASP QB . 57 . HB# 1 2
98 1 1 1 1 58 TRP H . 58 . HN 1 2
98 1 2 1 1 58 TRP HB3 . 58 . HB1 1 2
99 1 1 1 1 58 TRP H . 58 . HN 1 2
99 1 2 1 1 58 TRP HB2 . 58 . HB2 1 2
100 1 1 1 1 59 VAL H . 59 . HN 1 2
100 1 2 1 1 59 VAL HB . 59 . HB 1 2
101 1 1 1 1 60 LYS H . 60 . HN 1 2
101 1 2 1 1 60 LYS QB . 60 . HB# 1 2
102 1 1 1 1 62 LEU H . 62 . HN 1 2
102 1 2 1 1 62 LEU HB3 . 62 . HB1 1 2
103 1 1 1 1 62 LEU H . 62 . HN 1 2
103 1 2 1 1 62 LEU HB2 . 62 . HB2 1 2
104 1 1 1 1 63 MET H . 63 . HN 1 2
104 1 2 1 1 63 MET QB . 63 . HB# 1 2
105 1 1 1 1 64 GLN H . 64 . HN 1 2
105 1 2 1 1 64 GLN QB . 64 . HB# 1 2
106 1 1 1 1 65 GLN H . 65 . HN 1 2
106 1 2 1 1 65 GLN HB3 . 65 . HB1 1 2
107 1 1 1 1 65 GLN H . 65 . HN 1 2
107 1 2 1 1 65 GLN HB2 . 65 . HB2 1 2
108 1 1 1 1 66 LEU H . 66 . HN 1 2
108 1 2 1 1 66 LEU HB3 . 66 . HB1 1 2
109 1 1 1 1 66 LEU H . 66 . HN 1 2
109 1 2 1 1 66 LEU HB2 . 66 . HB2 1 2
110 1 1 1 1 68 VAL H . 68 . HN 1 2
110 1 2 1 1 68 VAL HB . 68 . HB 1 2
111 1 1 1 1 69 THR H . 69 . HN 1 2
111 1 2 1 1 69 THR HB . 69 . HB 1 2
112 1 1 1 1 16 GLN H . 16 . HN 1 2
112 1 2 1 1 16 GLN QG . 16 . HG# 1 2
113 1 1 1 1 17 LYS H . 17 . HN 1 2
113 1 2 1 1 17 LYS QG . 17 . HG# 1 2
114 1 1 1 1 18 ARG H . 18 . HN 1 2
114 1 2 1 1 18 ARG QG . 18 . HG# 1 2
115 1 1 1 1 23 VAL H . 23 . HN 1 2
115 1 2 1 1 23 VAL MG1 . 23 . HG1# 1 2
116 1 1 1 1 23 VAL H . 23 . HN 1 2
116 1 2 1 1 23 VAL MG2 . 23 . HG2# 1 2
117 1 1 1 1 31 THR H . 31 . HN 1 2
117 1 2 1 1 31 THR MG . 31 . HG2# 1 2
118 1 1 1 1 33 GLN H . 33 . HN 1 2
118 1 2 1 1 33 GLN QG . 33 . HG# 1 2
119 1 1 1 1 40 VAL H . 40 . HN 1 2
119 1 2 1 1 40 VAL MG2 . 40 . HG2# 1 2
120 1 1 1 1 40 VAL H . 40 . HN 1 2
120 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 2
121 1 1 1 1 46 ARG H . 46 . HN 1 2
121 1 2 1 1 46 ARG QG . 46 . HG# 1 2
122 1 1 1 1 48 ARG H . 48 . HN 1 2
122 1 2 1 1 48 ARG QG . 48 . HG# 1 2
123 1 1 1 1 49 GLN H . 49 . HN 1 2
123 1 2 1 1 49 GLN HG3 . 49 . HG1 1 2
124 1 1 1 1 49 GLN H . 49 . HN 1 2
124 1 2 1 1 49 GLN HG2 . 49 . HG2 1 2
125 1 1 1 1 50 VAL H . 50 . HN 1 2
125 1 2 1 1 50 VAL MG2 . 50 . HG2# 1 2
126 1 1 1 1 50 VAL H . 50 . HN 1 2
126 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 2
127 1 1 1 1 59 VAL H . 59 . HN 1 2
127 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 2
128 1 1 1 1 59 VAL H . 59 . HN 1 2
128 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 2
129 1 1 1 1 60 LYS H . 60 . HN 1 2
129 1 2 1 1 60 LYS QG . 60 . HG# 1 2
130 1 1 1 1 61 LYS H . 61 . HN 1 2
130 1 2 1 1 61 LYS QG . 61 . HG# 1 2
131 1 1 1 1 63 MET H . 63 . HN 1 2
131 1 2 1 1 63 MET QG . 63 . HG# 1 2
132 1 1 1 1 64 GLN H . 64 . HN 1 2
132 1 2 1 1 64 GLN QG . 64 . HG# 1 2
133 1 1 1 1 65 GLN H . 65 . HN 1 2
133 1 2 1 1 65 GLN HG3 . 65 . HG1 1 2
134 1 1 1 1 65 GLN H . 65 . HN 1 2
134 1 2 1 1 65 GLN HG2 . 65 . HG2 1 2
135 1 1 1 1 68 VAL H . 68 . HN 1 2
135 1 2 1 1 68 VAL MG1 . 68 . HG1# 1 2
136 1 1 1 1 68 VAL H . 68 . HN 1 2
136 1 2 1 1 68 VAL MG2 . 68 . HG2# 1 2
137 1 1 1 1 69 THR H . 69 . HN 1 2
137 1 2 1 1 69 THR MG . 69 . HG2# 1 2
138 1 1 1 1 18 ARG H . 18 . HN 1 2
138 1 2 1 1 18 ARG QD . 18 . HD# 1 2
139 1 1 1 1 20 LEU H . 20 . HN 1 2
139 1 2 1 1 20 LEU MD1 . 20 . HD1# 1 2
140 1 1 1 1 24 LEU H . 24 . HN 1 2
140 1 2 1 1 24 LEU QD . 24 . HD# 1 2
141 1 1 1 1 25 LEU H . 25 . HN 1 2
141 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 2
142 1 1 1 1 25 LEU H . 25 . HN 1 2
142 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 2
143 1 1 1 1 28 TRP H . 28 . HN 1 2
143 1 2 1 1 28 TRP HD1 . 28 . HD1 1 2
144 1 1 1 1 34 LEU H . 34 . HN 1 2
144 1 2 1 1 34 LEU MD1 . 34 . HD1# 1 2
145 1 1 1 1 34 LEU H . 34 . HN 1 2
145 1 2 1 1 34 LEU MD2 . 34 . HD2# 1 2
146 1 1 1 1 43 LEU H . 43 . HN 1 2
146 1 2 1 1 43 LEU MD1 . 43 . HD1# 1 2
147 1 1 1 1 43 LEU H . 43 . HN 1 2
147 1 2 1 1 43 LEU MD2 . 43 . HD2# 1 2
148 1 1 1 1 58 TRP H . 58 . HN 1 2
148 1 2 1 1 58 TRP HD1 . 58 . HD1 1 2
149 1 1 1 1 28 TRP H . 28 . HN 1 2
149 1 2 1 1 28 TRP HE1 . 28 . HE1 1 2
150 1 1 1 1 5 TRP HA . 5 . HA 1 2
150 1 2 1 1 5 TRP HE3 . 5 . HE3 1 2
151 1 1 1 1 10 LYS HA . 10 . HA 1 2
151 1 2 1 1 10 LYS QD . 10 . HD# 1 2
152 1 1 1 1 11 CYS HA . 11 . HA 1 2
152 1 2 1 1 11 CYS HB2 . 11 . HB2 1 2
153 1 1 1 1 11 CYS HA . 11 . HA 1 2
153 1 2 1 1 11 CYS HB3 . 11 . HB1 1 2
154 1 1 1 1 15 TYR HA . 15 . HA 1 2
154 1 2 1 1 15 TYR QD . 15 . HD# 1 2
155 1 1 1 1 15 TYR HB2 . 15 . HB2 1 2
155 1 2 1 1 15 TYR QD . 15 . HD# 1 2
156 1 1 1 1 15 TYR HA . 15 . HA 1 2
156 1 2 1 1 15 TYR HB3 . 15 . HB1 1 2
157 1 1 1 1 15 TYR HB3 . 15 . HB1 1 2
157 1 2 1 1 15 TYR QD . 15 . HD# 1 2
158 1 1 1 1 16 GLN HA . 16 . HA 1 2
158 1 2 1 1 16 GLN HB2 . 16 . HB2 1 2
159 1 1 1 1 16 GLN HA . 16 . HA 1 2
159 1 2 1 1 16 GLN HB3 . 16 . HB1 1 2
160 1 1 1 1 16 GLN HA . 16 . HA 1 2
160 1 2 1 1 16 GLN QG . 16 . HG# 1 2
161 1 1 1 1 18 ARG HA . 18 . HA 1 2
161 1 2 1 1 18 ARG QG . 18 . HG# 1 2
162 1 1 1 1 20 LEU HA . 20 . HA 1 2
162 1 2 1 1 20 LEU HB3 . 20 . HB1 1 2
163 1 1 1 1 21 PRO HA . 21 . HA 1 2
163 1 2 1 1 21 PRO HB3 . 21 . HB1 1 2
164 1 1 1 1 22 GLN HA . 22 . HA 1 2
164 1 2 1 1 22 GLN HB2 . 22 . HB2 1 2
165 1 1 1 1 22 GLN HA . 22 . HA 1 2
165 1 2 1 1 22 GLN QG . 22 . HG# 1 2
166 1 1 1 1 23 VAL HA . 23 . HA 1 2
166 1 2 1 1 23 VAL HB . 23 . HB 1 2
167 1 1 1 1 23 VAL HA . 23 . HA 1 2
167 1 2 1 1 23 VAL MG1 . 23 . HG1# 1 2
168 1 1 1 1 23 VAL HA . 23 . HA 1 2
168 1 2 1 1 23 VAL MG2 . 23 . HG2# 1 2
169 1 1 1 1 25 LEU HA . 25 . HA 1 2
169 1 2 1 1 25 LEU HB2 . 25 . HB2 1 2
170 1 1 1 1 25 LEU HB2 . 25 . HB2 1 2
170 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 2
171 1 1 1 1 25 LEU HA . 25 . HA 1 2
171 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 2
172 1 1 1 1 25 LEU HA . 25 . HA 1 2
172 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 2
173 1 1 1 1 27 SER HA . 27 . HA 1 2
173 1 2 1 1 27 SER HB3 . 27 . HB1 1 2
174 1 1 1 1 27 SER HA . 27 . HA 1 2
174 1 2 1 1 27 SER HB2 . 27 . HB2 1 2
175 1 1 1 1 28 TRP HA . 28 . HA 1 2
175 1 2 1 1 28 TRP HD1 . 28 . HD1 1 2
176 1 1 1 1 28 TRP HA . 28 . HA 1 2
176 1 2 1 1 28 TRP HB3 . 28 . HB1 1 2
177 1 1 1 1 28 TRP HA . 28 . HA 1 2
177 1 2 1 1 28 TRP HB2 . 28 . HB2 1 2
178 1 1 1 1 28 TRP QB . 28 . HB# 1 2
178 1 2 1 1 28 TRP HE3 . 28 . HE3 1 2
179 1 1 1 1 29 TYR HA . 29 . HA 1 2
179 1 2 1 1 29 TYR QD . 29 . HD# 1 2
180 1 1 1 1 29 TYR HA . 29 . HA 1 2
180 1 2 1 1 29 TYR QE . 29 . HE# 1 2
181 1 1 1 1 29 TYR HA . 29 . HA 1 2
181 1 2 1 1 29 TYR HB3 . 29 . HB1 1 2
182 1 1 1 1 29 TYR HA . 29 . HA 1 2
182 1 2 1 1 29 TYR HB2 . 29 . HB2 1 2
183 1 1 1 1 29 TYR HB3 . 29 . HB1 1 2
183 1 2 1 1 29 TYR QD . 29 . HD# 1 2
184 1 1 1 1 29 TYR HB2 . 29 . HB2 1 2
184 1 2 1 1 29 TYR QD . 29 . HD# 1 2
185 1 1 1 1 30 PRO HA . 30 . HA 1 2
185 1 2 1 1 30 PRO HB3 . 30 . HB1 1 2
186 1 1 1 1 31 THR HA . 31 . HA 1 2
186 1 2 1 1 31 THR HB . 31 . HB 1 2
187 1 1 1 1 31 THR HA . 31 . HA 1 2
187 1 2 1 1 31 THR MG . 31 . HG2# 1 2
188 1 1 1 1 31 THR HB . 31 . HB 1 2
188 1 2 1 1 31 THR MG . 31 . HG2# 1 2
189 1 1 1 1 33 GLN HA . 33 . HA 1 2
189 1 2 1 1 33 GLN HB3 . 33 . HB1 1 2
190 1 1 1 1 34 LEU HA . 34 . HA 1 2
190 1 2 1 1 34 LEU QB . 34 . HB# 1 2
191 1 1 1 1 35 CYS HA . 35 . HA 1 2
191 1 2 1 1 35 CYS HB3 . 35 . HB1 1 2
192 1 1 1 1 35 CYS HA . 35 . HA 1 2
192 1 2 1 1 35 CYS HB2 . 35 . HB2 1 2
193 1 1 1 1 36 SER HA . 36 . HA 1 2
193 1 2 1 1 36 SER QB . 36 . HB# 1 2
194 1 1 1 1 38 PRO HA . 38 . HA 1 2
194 1 2 1 1 38 PRO HB3 . 38 . HB1 1 2
195 1 1 1 1 38 PRO HB3 . 38 . HB1 1 2
195 1 2 1 1 38 PRO QD . 38 . HD# 1 2
196 1 1 1 1 38 PRO HA . 38 . HA 1 2
196 1 2 1 1 38 PRO QG . 38 . HG# 1 2
197 1 1 1 1 40 VAL HA . 40 . HA 1 2
197 1 2 1 1 40 VAL HB . 40 . HB 1 2
198 1 1 1 1 40 VAL HA . 40 . HA 1 2
198 1 2 1 1 40 VAL MG2 . 40 . HG2# 1 2
199 1 1 1 1 40 VAL HA . 40 . HA 1 2
199 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 2
200 1 1 1 1 41 ILE HA . 41 . HA 1 2
200 1 2 1 1 41 ILE HB . 41 . HB 1 2
201 1 1 1 1 41 ILE HA . 41 . HA 1 2
201 1 2 1 1 41 ILE QG . 41 . HG1# 1 2
202 1 1 1 1 41 ILE HA . 41 . HA 1 2
202 1 2 1 1 41 ILE MG . 41 . HG2# 1 2
203 1 1 1 1 42 PHE HA . 42 . HA 1 2
203 1 2 1 1 42 PHE HB3 . 42 . HB1 1 2
204 1 1 1 1 42 PHE HA . 42 . HA 1 2
204 1 2 1 1 42 PHE QD . 42 . HD# 1 2
205 1 1 1 1 42 PHE HB2 . 42 . HB2 1 2
205 1 2 1 1 42 PHE QD . 42 . HD# 1 2
206 1 1 1 1 42 PHE HB3 . 42 . HB1 1 2
206 1 2 1 1 42 PHE QD . 42 . HD# 1 2
207 1 1 1 1 43 LEU HA . 43 . HA 1 2
207 1 2 1 1 43 LEU QD . 43 . HD# 1 2
208 1 1 1 1 44 THR HA . 44 . HA 1 2
208 1 2 1 1 44 THR HB . 44 . HB 1 2
209 1 1 1 1 44 THR HA . 44 . HA 1 2
209 1 2 1 1 44 THR MG . 44 . HG2# 1 2
210 1 1 1 1 45 LYS HA . 45 . HA 1 2
210 1 2 1 1 45 LYS HB2 . 45 . HB2 1 2
211 1 1 1 1 45 LYS HA . 45 . HA 1 2
211 1 2 1 1 45 LYS HB3 . 45 . HB1 1 2
212 1 1 1 1 45 LYS HA . 45 . HA 1 2
212 1 2 1 1 45 LYS HG2 . 45 . HG2 1 2
213 1 1 1 1 45 LYS HA . 45 . HA 1 2
213 1 2 1 1 45 LYS HG3 . 45 . HG1 1 2
214 1 1 1 1 46 ARG HA . 46 . HA 1 2
214 1 2 1 1 46 ARG HB2 . 46 . HB2 1 2
215 1 1 1 1 48 ARG HA . 48 . HA 1 2
215 1 2 1 1 48 ARG HB3 . 48 . HB1 1 2
216 1 1 1 1 48 ARG HA . 48 . HA 1 2
216 1 2 1 1 48 ARG HG3 . 48 . HG1 1 2
217 1 1 1 1 48 ARG HA . 48 . HA 1 2
217 1 2 1 1 48 ARG HG2 . 48 . HG2 1 2
218 1 1 1 1 49 GLN HA . 49 . HA 1 2
218 1 2 1 1 49 GLN HB3 . 49 . HB1 1 2
219 1 1 1 1 49 GLN HA . 49 . HA 1 2
219 1 2 1 1 49 GLN HG3 . 49 . HG1 1 2
220 1 1 1 1 49 GLN HA . 49 . HA 1 2
220 1 2 1 1 49 GLN HG2 . 49 . HG2 1 2
221 1 1 1 1 50 VAL HA . 50 . HA 1 2
221 1 2 1 1 50 VAL HB . 50 . HB 1 2
222 1 1 1 1 50 VAL HA . 50 . HA 1 2
222 1 2 1 1 50 VAL MG2 . 50 . HG2# 1 2
223 1 1 1 1 51 CYS HA . 51 . HA 1 2
223 1 2 1 1 51 CYS HB3 . 51 . HB1 1 2
224 1 1 1 1 52 ALA HA . 52 . HA 1 2
224 1 2 1 1 52 ALA MB . 52 . HB# 1 2
225 1 1 1 1 53 ASP HA . 53 . HA 1 2
225 1 2 1 1 53 ASP HB3 . 53 . HB1 1 2
226 1 1 1 1 53 ASP HA . 53 . HA 1 2
226 1 2 1 1 53 ASP HB2 . 53 . HB2 1 2
227 1 1 1 1 54 LYS HA . 54 . HA 1 2
227 1 2 1 1 54 LYS HB3 . 54 . HB1 1 2
228 1 1 1 1 54 LYS HA . 54 . HA 1 2
228 1 2 1 1 54 LYS HB2 . 54 . HB2 1 2
229 1 1 1 1 55 SER HA . 55 . HA 1 2
229 1 2 1 1 55 SER HB3 . 55 . HB1 1 2
230 1 1 1 1 55 SER HA . 55 . HA 1 2
230 1 2 1 1 55 SER HB2 . 55 . HB2 1 2
231 1 1 1 1 56 LYS HA . 56 . HA 1 2
231 1 2 1 1 56 LYS QG . 56 . HG# 1 2
232 1 1 1 1 57 ASP HA . 57 . HA 1 2
232 1 2 1 1 57 ASP QB . 57 . HB# 1 2
233 1 1 1 1 58 TRP HA . 58 . HA 1 2
233 1 2 1 1 58 TRP HB3 . 58 . HB1 1 2
234 1 1 1 1 58 TRP HA . 58 . HA 1 2
234 1 2 1 1 58 TRP HB2 . 58 . HB2 1 2
235 1 1 1 1 58 TRP HA . 58 . HA 1 2
235 1 2 1 1 58 TRP HD1 . 58 . HD1 1 2
236 1 1 1 1 58 TRP HB3 . 58 . HB1 1 2
236 1 2 1 1 58 TRP HE3 . 58 . HE3 1 2
237 1 1 1 1 58 TRP HB3 . 58 . HB1 1 2
237 1 2 1 1 58 TRP HD1 . 58 . HD1 1 2
238 1 1 1 1 58 TRP HB2 . 58 . HB2 1 2
238 1 2 1 1 58 TRP HE3 . 58 . HE3 1 2
239 1 1 1 1 59 VAL HA . 59 . HA 1 2
239 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 2
240 1 1 1 1 59 VAL HA . 59 . HA 1 2
240 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 2
241 1 1 1 1 61 LYS HA . 61 . HA 1 2
241 1 2 1 1 61 LYS QG . 61 . HG# 1 2
242 1 1 1 1 62 LEU HA . 62 . HA 1 2
242 1 2 1 1 62 LEU HB3 . 62 . HB1 1 2
243 1 1 1 1 62 LEU HA . 62 . HA 1 2
243 1 2 1 1 62 LEU HB2 . 62 . HB2 1 2
244 1 1 1 1 62 LEU HA . 62 . HA 1 2
244 1 2 1 1 62 LEU MD1 . 62 . HD1# 1 2
245 1 1 1 1 62 LEU HA . 62 . HA 1 2
245 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 2
246 1 1 1 1 63 MET HA . 63 . HA 1 2
246 1 2 1 1 63 MET QB . 63 . HB# 1 2
247 1 1 1 1 64 GLN HA . 64 . HA 1 2
247 1 2 1 1 64 GLN QB . 64 . HB# 1 2
248 1 1 1 1 64 GLN HA . 64 . HA 1 2
248 1 2 1 1 64 GLN HG3 . 64 . HG1 1 2
249 1 1 1 1 64 GLN HA . 64 . HA 1 2
249 1 2 1 1 64 GLN HG2 . 64 . HG2 1 2
250 1 1 1 1 65 GLN HA . 65 . HA 1 2
250 1 2 1 1 65 GLN HG3 . 65 . HG1 1 2
251 1 1 1 1 65 GLN HA . 65 . HA 1 2
251 1 2 1 1 65 GLN HG2 . 65 . HG2 1 2
252 1 1 1 1 66 LEU HA . 66 . HA 1 2
252 1 2 1 1 66 LEU HB2 . 66 . HB2 1 2
253 1 1 1 1 66 LEU HA . 66 . HA 1 2
253 1 2 1 1 66 LEU HB3 . 66 . HB1 1 2
254 1 1 1 1 66 LEU HA . 66 . HA 1 2
254 1 2 1 1 66 LEU QD . 66 . HD# 1 2
255 1 1 1 1 66 LEU HA . 66 . HA 1 2
255 1 2 1 1 66 LEU HG . 66 . HG 1 2
256 1 1 1 1 67 PRO HA . 67 . HA 1 2
256 1 2 1 1 67 PRO HB3 . 67 . HB1 1 2
257 1 1 1 1 67 PRO HA . 67 . HA 1 2
257 1 2 1 1 67 PRO QG . 67 . HG# 1 2
258 1 1 1 1 69 THR HA . 69 . HA 1 2
258 1 2 1 1 69 THR MG . 69 . HG2# 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 1 2
2 1 . . . . . 3.0 1.8 3.5 1 2
3 1 . . . . . 3.0 1.8 3.5 1 2
4 1 . . . . . 3.0 1.8 3.5 1 2
5 1 . . . . . 3.0 1.8 3.5 1 2
6 1 . . . . . 3.0 1.8 3.5 1 2
7 1 . . . . . 2.4 1.8 2.9 1 2
8 1 . . . . . 2.4 1.8 2.9 1 2
9 1 . . . . . 3.0 1.8 3.5 1 2
10 1 . . . . . 3.0 1.8 3.5 1 2
11 1 . . . . . 3.0 1.8 3.5 1 2
12 1 . . . . . 3.0 1.8 3.5 1 2
13 1 . . . . . 3.0 1.8 3.5 1 2
14 1 . . . . . 3.0 1.8 3.5 1 2
15 1 . . . . . 3.0 1.8 3.5 1 2
16 1 . . . . . 3.0 1.8 3.5 1 2
17 1 . . . . . 3.0 1.8 3.5 1 2
18 1 . . . . . 3.0 1.8 3.5 1 2
19 1 . . . . . 3.0 1.8 3.5 1 2
20 1 . . . . . 3.0 1.8 3.5 1 2
21 1 . . . . . 3.0 1.8 3.5 1 2
22 1 . . . . . 3.0 1.8 3.5 1 2
23 1 . . . . . 3.0 1.8 3.5 1 2
24 1 . . . . . 3.0 1.8 3.5 1 2
25 1 . . . . . 3.0 1.8 3.5 1 2
26 1 . . . . . 3.0 1.8 3.5 1 2
27 1 . . . . . 3.0 1.8 3.5 1 2
28 1 . . . . . 3.0 1.8 3.5 1 2
29 1 . . . . . 3.0 1.8 3.5 1 2
30 1 . . . . . 3.0 1.8 3.5 1 2
31 1 . . . . . 3.0 1.8 3.5 1 2
32 1 . . . . . 3.0 1.8 3.5 1 2
33 1 . . . . . 3.0 1.8 3.5 1 2
34 1 . . . . . 3.0 1.8 3.5 1 2
35 1 . . . . . 3.0 1.8 3.5 1 2
36 1 . . . . . 3.0 1.8 3.5 1 2
37 1 . . . . . 3.0 1.8 3.5 1 2
38 1 . . . . . 3.0 1.8 3.5 1 2
39 1 . . . . . 3.0 1.8 3.5 1 2
40 1 . . . . . 3.0 1.8 3.5 1 2
41 1 . . . . . 3.0 1.8 3.5 1 2
42 1 . . . . . 2.4 1.8 2.9 1 2
43 1 . . . . . 2.4 1.8 3.9 1 2
44 1 . . . . . 3.0 1.8 4.5 1 2
45 1 . . . . . 3.0 1.8 4.5 1 2
46 1 . . . . . 4.0 1.8 4.5 1 2
47 1 . . . . . 4.0 1.8 4.5 1 2
48 1 . . . . . 3.0 1.8 4.5 1 2
49 1 . . . . . 4.0 1.8 4.5 1 2
50 1 . . . . . 3.0 1.8 3.5 1 2
51 1 . . . . . 3.0 1.8 4.5 1 2
52 1 . . . . . 3.0 1.8 3.5 1 2
53 1 . . . . . 4.0 1.8 4.5 1 2
54 1 . . . . . 3.0 1.8 3.5 1 2
55 1 . . . . . 3.0 1.8 3.5 1 2
56 1 . . . . . 3.5 1.8 5.0 1 2
57 1 . . . . . 4.0 1.8 4.5 1 2
58 1 . . . . . 3.0 1.8 3.5 1 2
59 1 . . . . . 2.4 1.8 2.7 1 2
60 1 . . . . . 2.4 1.8 2.9 1 2
61 1 . . . . . 3.0 1.8 3.5 1 2
62 1 . . . . . 3.0 1.8 3.5 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 . . . . . 3.0 1.8 3.5 1 2
68 1 . . . . . 3.0 1.8 3.5 1 2
69 1 . . . . . 3.0 1.8 3.5 1 2
70 1 . . . . . 3.0 1.8 3.5 1 2
71 1 . . . . . 2.4 1.8 3.9 1 2
72 1 . . . . . 4.0 1.8 4.5 1 2
73 1 . . . . . 3.0 1.8 3.5 1 2
74 1 . . . . . 3.0 1.8 4.5 1 2
75 1 . . . . . 3.0 1.8 4.5 1 2
76 1 . . . . . 3.0 1.8 3.5 1 2
77 1 . . . . . 3.0 1.8 3.5 1 2
78 1 . . . . . 3.0 1.8 3.5 1 2
79 1 . . . . . 4.0 1.8 4.5 1 2
80 1 . . . . . 3.0 1.8 4.5 1 2
81 1 . . . . . 4.0 1.8 4.5 1 2
82 1 . . . . . 3.0 1.8 3.5 1 2
83 1 . . . . . 3.0 1.8 3.5 1 2
84 1 . . . . . 4.0 1.8 4.5 1 2
85 1 . . . . . 3.0 1.8 3.5 1 2
86 1 . . . . . . 1.8 3.5 1 2
87 1 . . . . . 3.0 1.8 3.5 1 2
88 1 . . . . . 3.0 1.8 3.5 1 2
89 1 . . . . . 4.0 1.8 4.5 1 2
90 1 . . . . . 3.0 1.8 3.5 1 2
91 1 . . . . . 3.0 1.8 3.5 1 2
92 1 . . . . . 4.0 1.8 4.5 1 2
93 1 . . . . . 3.0 1.8 3.5 1 2
94 1 . . . . . 2.4 1.8 3.9 1 2
95 1 . . . . . 4.0 1.8 4.5 1 2
96 1 . . . . . 3.0 1.8 3.5 1 2
97 1 . . . . . 3.0 1.8 4.5 1 2
98 1 . . . . . 2.4 1.8 2.9 1 2
99 1 . . . . . 4.0 1.8 4.5 1 2
100 1 . . . . . 2.4 1.8 2.9 1 2
101 1 . . . . . 2.4 1.8 3.9 1 2
102 1 . . . . . 4.0 1.8 4.5 1 2
103 1 . . . . . 2.4 1.8 2.9 1 2
104 1 . . . . . 2.4 1.8 3.9 1 2
105 1 . . . . . 2.4 1.8 3.9 1 2
106 1 . . . . . 3.0 1.8 3.5 1 2
107 1 . . . . . 3.0 1.8 3.5 1 2
108 1 . . . . . 4.0 1.8 4.5 1 2
109 1 . . . . . 3.0 1.8 3.5 1 2
110 1 . . . . . 3.0 1.8 3.5 1 2
111 1 . . . . . 3.0 1.8 3.5 1 2
112 1 . . . . . 4.0 1.8 5.5 1 2
113 1 . . . . . 4.0 1.8 5.0 1 2
114 1 . . . . . 2.4 1.8 3.9 1 2
115 1 . . . . . 2.4 1.8 3.4 1 2
116 1 . . . . . 4.0 1.8 5.0 1 2
117 1 . . . . . 3.0 1.8 4.0 1 2
118 1 . . . . . 4.0 1.8 5.5 1 2
119 1 . . . . . 3.0 1.8 4.0 1 2
120 1 . . . . . 4.0 1.8 5.0 1 2
121 1 . . . . . 3.0 1.8 4.5 1 2
122 1 . . . . . 4.0 1.8 5.5 1 2
123 1 . . . . . 4.0 1.8 4.5 1 2
124 1 . . . . . 4.0 1.8 4.5 1 2
125 1 . . . . . 3.0 1.8 4.0 1 2
126 1 . . . . . 4.0 1.8 5.0 1 2
127 1 . . . . . 4.0 1.8 5.0 1 2
128 1 . . . . . 3.0 1.8 4.0 1 2
129 1 . . . . . 3.0 1.8 4.5 1 2
130 1 . . . . . 4.0 1.8 5.5 1 2
131 1 . . . . . 2.4 1.6 3.9 1 2
132 1 . . . . . 4.0 1.8 5.5 1 2
133 1 . . . . . 3.0 1.8 3.5 1 2
134 1 . . . . . 3.0 1.8 3.5 1 2
135 1 . . . . . 4.0 1.8 5.0 1 2
136 1 . . . . . 4.0 1.8 5.0 1 2
137 1 . . . . . 3.0 1.8 4.0 1 2
138 1 . . . . . 4.0 1.8 5.5 1 2
139 1 . . . . . 4.0 1.8 5.0 1 2
140 1 . . . . . 3.0 1.8 5.5 1 2
141 1 . . . . . 4.0 1.8 5.0 1 2
142 1 . . . . . 4.0 1.8 5.0 1 2
143 1 . . . . . 3.0 1.8 3.5 1 2
144 1 . . . . . 3.0 1.8 4.0 1 2
145 1 . . . . . 3.0 1.8 4.0 1 2
146 1 . . . . . 4.0 1.8 5.0 1 2
147 1 . . . . . 4.0 1.8 5.0 1 2
148 1 . . . . . 2.4 1.8 2.9 1 2
149 1 . . . . . 4.0 1.8 4.5 1 2
150 1 . . . . . 4.0 1.8 4.5 1 2
151 1 . . . . . 4.0 1.8 5.5 1 2
152 1 . . . . . 3.0 1.8 3.5 1 2
153 1 . . . . . 3.0 1.8 3.5 1 2
154 1 . . . . . 2.4 1.8 4.9 1 2
155 1 . . . . . 3.0 1.8 5.5 1 2
156 1 . . . . . 2.4 1.2 2.9 1 2
157 1 . . . . . 3.0 1.8 5.5 1 2
158 1 . . . . . 2.4 1.8 2.9 1 2
159 1 . . . . . 3.0 1.8 3.5 1 2
160 1 . . . . . 3.0 1.8 4.5 1 2
161 1 . . . . . 3.0 1.8 4.5 1 2
162 1 . . . . . 3.0 1.8 3.5 1 2
163 1 . . . . . 3.0 1.8 3.5 1 2
164 1 . . . . . 3.0 1.8 3.5 1 2
165 1 . . . . . 3.0 1.8 4.5 1 2
166 1 . . . . . 2.4 1.8 2.9 1 2
167 1 . . . . . 3.0 1.8 4.0 1 2
168 1 . . . . . 2.4 1.8 3.4 1 2
169 1 . . . . . 3.0 1.8 3.5 1 2
170 1 . . . . . 3.0 1.8 3.5 1 2
171 1 . . . . . 4.0 1.8 5.0 1 2
172 1 . . . . . 2.4 1.8 3.4 1 2
173 1 . . . . . 2.4 1.8 2.9 1 2
174 1 . . . . . 2.4 1.8 2.9 1 2
175 1 . . . . . 4.0 1.8 4.5 1 2
176 1 . . . . . 2.4 1.8 2.9 1 2
177 1 . . . . . 2.4 1.8 2.9 1 2
178 1 . . . . . 3.0 1.8 4.5 1 2
179 1 . . . . . 3.0 1.8 5.8 1 2
180 1 . . . . . 4.0 1.8 6.8 1 2
181 1 . . . . . 3.0 1.8 3.5 1 2
182 1 . . . . . 3.0 1.8 3.5 1 2
183 1 . . . . . 3.0 1.8 5.8 1 2
184 1 . . . . . 3.0 1.8 5.8 1 2
185 1 . . . . . 3.0 1.8 3.5 1 2
186 1 . . . . . 2.4 1.8 2.9 1 2
187 1 . . . . . 2.4 1.8 3.9 1 2
188 1 . . . . . 2.4 1.8 3.9 1 2
189 1 . . . . . 3.0 1.8 3.5 1 2
190 1 . . . . . 2.4 1.6 3.9 1 2
191 1 . . . . . 3.0 1.8 3.5 1 2
192 1 . . . . . 3.0 1.8 3.5 1 2
193 1 . . . . . 2.4 1.6 3.9 1 2
194 1 . . . . . 3.0 1.8 3.5 1 2
195 1 . . . . . 3.0 1.8 4.5 1 2
196 1 . . . . . 3.0 1.8 4.5 1 2
197 1 . . . . . 3.0 1.8 3.5 1 2
198 1 . . . . . 3.0 1.8 4.0 1 2
199 1 . . . . . 3.0 1.8 4.0 1 2
200 1 . . . . . 3.0 1.8 3.5 1 2
201 1 . . . . . 3.0 1.8 4.0 1 2
202 1 . . . . . 3.0 1.8 4.0 1 2
203 1 . . . . . 2.4 1.6 2.9 1 2
204 1 . . . . . 2.4 1.8 4.9 1 2
205 1 . . . . . 3.0 1.8 5.5 1 2
206 1 . . . . . 3.0 1.8 5.5 1 2
207 1 . . . . . 3.0 1.8 5.5 1 2
208 1 . . . . . 2.4 1.8 2.9 1 2
209 1 . . . . . 2.4 1.8 3.4 1 2
210 1 . . . . . 3.0 1.8 3.5 1 2
211 1 . . . . . 3.0 1.8 3.5 1 2
212 1 . . . . . 3.0 1.8 3.5 1 2
213 1 . . . . . 3.0 1.8 3.5 1 2
214 1 . . . . . 2.4 1.8 2.9 1 2
215 1 . . . . . 2.4 1.2 2.9 1 2
216 1 . . . . . 3.0 1.8 3.5 1 2
217 1 . . . . . 3.0 1.8 3.5 1 2
218 1 . . . . . 3.0 1.8 3.5 1 2
219 1 . . . . . 3.0 1.8 3.5 1 2
220 1 . . . . . 3.0 1.8 3.5 1 2
221 1 . . . . . 3.0 1.8 3.5 1 2
222 1 . . . . . 3.0 1.8 4.5 1 2
223 1 . . . . . 2.4 1.8 2.9 1 2
224 1 . . . . . 2.4 1.8 3.9 1 2
225 1 . . . . . 2.4 1.8 2.9 1 2
226 1 . . . . . 3.0 1.8 3.5 1 2
227 1 . . . . . 3.0 1.8 3.5 1 2
228 1 . . . . . 3.0 1.8 3.5 1 2
229 1 . . . . . 2.4 1.8 2.9 1 2
230 1 . . . . . 2.4 1.8 2.9 1 2
231 1 . . . . . 3.0 1.8 4.5 1 2
232 1 . . . . . 2.4 1.8 3.9 1 2
233 1 . . . . . 2.4 1.8 2.9 1 2
234 1 . . . . . 2.4 1.8 2.9 1 2
235 1 . . . . . 4.0 1.8 4.5 1 2
236 1 . . . . . 4.0 1.8 4.5 1 2
237 1 . . . . . 3.0 1.8 3.5 1 2
238 1 . . . . . 3.0 1.8 3.5 1 2
239 1 . . . . . 3.0 1.8 4.0 1 2
240 1 . . . . . 3.0 1.8 4.0 1 2
241 1 . . . . . 3.0 1.8 4.5 1 2
242 1 . . . . . 2.4 1.8 2.9 1 2
243 1 . . . . . 3.0 1.8 3.5 1 2
244 1 . . . . . 4.0 1.8 5.0 1 2
245 1 . . . . . 2.4 1.8 3.4 1 2
246 1 . . . . . 2.4 1.8 3.9 1 2
247 1 . . . . . 2.4 1.8 3.9 1 2
248 1 . . . . . 3.0 1.8 3.5 1 2
249 1 . . . . . 3.0 1.8 3.5 1 2
250 1 . . . . . 3.0 1.8 3.5 1 2
251 1 . . . . . 3.0 1.8 3.5 1 2
252 1 . . . . . 3.0 1.8 3.5 1 2
253 1 . . . . . 3.0 1.8 3.5 1 2
254 1 . . . . . 2.4 1.8 4.9 1 2
255 1 . . . . . 3.0 1.8 3.5 1 2
256 1 . . . . . 3.0 1.8 3.5 1 2
257 1 . . . . . 3.0 1.8 4.5 1 2
258 1 . . . . . 3.0 1.8 4.0 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_13_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
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 HIS QB . 6 . HB# 1 3
1 1 2 1 1 7 ARG H . 7 . HN 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 . . . . . 4.0 1.8 5.5 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_15_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
67 1 . . . 1 4
68 1 . . . 1 4
69 1 . . . 1 4
70 1 . . . 1 4
71 1 . . . 1 4
72 1 . . . 1 4
73 1 . . . 1 4
74 1 . . . 1 4
75 1 . . . 1 4
76 1 . . . 1 4
77 1 . . . 1 4
78 1 . . . 1 4
79 1 . . . 1 4
80 1 . . . 1 4
81 1 . . . 1 4
82 1 . . . 1 4
83 1 . . . 1 4
84 1 . . . 1 4
85 1 . . . 1 4
86 1 . . . 1 4
87 1 . . . 1 4
88 1 . . . 1 4
89 1 . . . 1 4
90 1 . . . 1 4
91 1 . . . 1 4
92 1 . . . 1 4
93 1 . . . 1 4
94 1 . . . 1 4
95 1 . . . 1 4
96 1 . . . 1 4
97 1 . . . 1 4
98 1 . . . 1 4
99 1 . . . 1 4
100 1 . . . 1 4
101 1 . . . 1 4
102 1 . . . 1 4
103 1 . . . 1 4
104 1 . . . 1 4
105 1 . . . 1 4
106 1 . . . 1 4
107 1 . . . 1 4
108 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 9 ASP QB . 9 . HB# 1 4
1 1 2 1 1 10 LYS H . 10 . HN 1 4
2 1 1 1 1 10 LYS HB3 . 10 . HB1 1 4
2 1 2 1 1 11 CYS H . 11 . HN 1 4
3 1 1 1 1 10 LYS HB2 . 10 . HB2 1 4
3 1 2 1 1 11 CYS H . 11 . HN 1 4
4 1 1 1 1 11 CYS HB3 . 11 . HB1 1 4
4 1 2 1 1 12 CYS H . 12 . HN 1 4
5 1 1 1 1 13 LEU QB . 13 . HB# 1 4
5 1 2 1 1 14 GLY H . 14 . HN 1 4
6 1 1 1 1 15 TYR HB3 . 15 . HB1 1 4
6 1 2 1 1 16 GLN H . 16 . HN 1 4
7 1 1 1 1 15 TYR HB2 . 15 . HB2 1 4
7 1 2 1 1 16 GLN H . 16 . HN 1 4
8 1 1 1 1 19 PRO QB . 19 . HB# 1 4
8 1 2 1 1 20 LEU H . 20 . HN 1 4
9 1 1 1 1 21 PRO HB2 . 21 . HB2 1 4
9 1 2 1 1 22 GLN H . 22 . HN 1 4
10 1 1 1 1 21 PRO HB3 . 21 . HB1 1 4
10 1 2 1 1 22 GLN H . 22 . HN 1 4
11 1 1 1 1 22 GLN HB3 . 22 . HB1 1 4
11 1 2 1 1 23 VAL H . 23 . HN 1 4
12 1 1 1 1 23 VAL HB . 23 . HB 1 4
12 1 2 1 1 24 LEU H . 24 . HN 1 4
13 1 1 1 1 25 LEU HB2 . 25 . HB2 1 4
13 1 2 1 1 26 SER H . 26 . HN 1 4
14 1 1 1 1 25 LEU HB3 . 25 . HB1 1 4
14 1 2 1 1 26 SER H . 26 . HN 1 4
15 1 1 1 1 26 SER HB3 . 26 . HB1 1 4
15 1 2 1 1 27 SER H . 27 . HN 1 4
16 1 1 1 1 26 SER HB2 . 26 . HB2 1 4
16 1 2 1 1 27 SER H . 27 . HN 1 4
17 1 1 1 1 27 SER HB3 . 27 . HB1 1 4
17 1 2 1 1 28 TRP H . 28 . HN 1 4
18 1 1 1 1 27 SER HB2 . 27 . HB2 1 4
18 1 2 1 1 28 TRP H . 28 . HN 1 4
19 1 1 1 1 28 TRP HB3 . 28 . HB1 1 4
19 1 2 1 1 29 TYR H . 29 . HN 1 4
20 1 1 1 1 28 TRP HB2 . 28 . HB2 1 4
20 1 2 1 1 29 TYR H . 29 . HN 1 4
21 1 1 1 1 30 PRO HB3 . 30 . HB1 1 4
21 1 2 1 1 31 THR H . 31 . HN 1 4
22 1 1 1 1 31 THR HB . 31 . HB 1 4
22 1 2 1 1 32 SER H . 32 . HN 1 4
23 1 1 1 1 32 SER QB . 32 . HB# 1 4
23 1 2 1 1 33 GLN H . 33 . HN 1 4
24 1 1 1 1 33 GLN QB . 33 . HB# 1 4
24 1 2 1 1 34 LEU H . 34 . HN 1 4
25 1 1 1 1 34 LEU QB . 34 . HB# 1 4
25 1 2 1 1 35 CYS H . 35 . HN 1 4
26 1 1 1 1 35 CYS HB2 . 35 . HB2 1 4
26 1 2 1 1 36 SER H . 36 . HN 1 4
27 1 1 1 1 35 CYS HB3 . 35 . HB1 1 4
27 1 2 1 1 36 SER H . 36 . HN 1 4
28 1 1 1 1 36 SER QB . 36 . HB# 1 4
28 1 2 1 1 37 LYS H . 37 . HN 1 4
29 1 1 1 1 38 PRO HB2 . 38 . HB2 1 4
29 1 2 1 1 39 GLY H . 39 . HN 1 4
30 1 1 1 1 38 PRO HB3 . 38 . HB1 1 4
30 1 2 1 1 39 GLY H . 39 . HN 1 4
31 1 1 1 1 41 ILE HB . 41 . HB 1 4
31 1 2 1 1 42 PHE H . 42 . HN 1 4
32 1 1 1 1 42 PHE HB2 . 42 . HB2 1 4
32 1 2 1 1 43 LEU H . 43 . HN 1 4
33 1 1 1 1 42 PHE HB3 . 42 . HB1 1 4
33 1 2 1 1 43 LEU H . 43 . HN 1 4
34 1 1 1 1 43 LEU QB . 43 . HB# 1 4
34 1 2 1 1 44 THR H . 44 . HN 1 4
35 1 1 1 1 44 THR HB . 44 . HB 1 4
35 1 2 1 1 45 LYS H . 45 . HN 1 4
36 1 1 1 1 46 ARG HB3 . 46 . HB1 1 4
36 1 2 1 1 47 GLY H . 47 . HN 1 4
37 1 1 1 1 48 ARG HB2 . 48 . HB2 1 4
37 1 2 1 1 49 GLN H . 49 . HN 1 4
38 1 1 1 1 49 GLN HB3 . 49 . HB1 1 4
38 1 2 1 1 50 VAL H . 50 . HN 1 4
39 1 1 1 1 51 CYS HB3 . 51 . HB1 1 4
39 1 2 1 1 52 ALA H . 52 . HN 1 4
40 1 1 1 1 51 CYS HB2 . 51 . HB2 1 4
40 1 2 1 1 52 ALA H . 52 . HN 1 4
41 1 1 1 1 52 ALA MB . 52 . HB# 1 4
41 1 2 1 1 53 ASP H . 53 . HN 1 4
42 1 1 1 1 54 LYS HB3 . 54 . HB1 1 4
42 1 2 1 1 55 SER H . 55 . HN 1 4
43 1 1 1 1 54 LYS HB2 . 54 . HB2 1 4
43 1 2 1 1 55 SER H . 55 . HN 1 4
44 1 1 1 1 56 LYS QB . 56 . HB# 1 4
44 1 2 1 1 57 ASP H . 57 . HN 1 4
45 1 1 1 1 57 ASP QB . 57 . HB# 1 4
45 1 2 1 1 58 TRP H . 58 . HN 1 4
46 1 1 1 1 60 LYS QB . 60 . HB# 1 4
46 1 2 1 1 61 LYS H . 61 . HN 1 4
47 1 1 1 1 61 LYS QB . 61 . HB# 1 4
47 1 2 1 1 62 LEU H . 62 . HN 1 4
48 1 1 1 1 62 LEU HB3 . 62 . HB1 1 4
48 1 2 1 1 63 MET H . 63 . HN 1 4
49 1 1 1 1 63 MET HB3 . 63 . HB1 1 4
49 1 2 1 1 64 GLN H . 64 . HN 1 4
50 1 1 1 1 63 MET HB2 . 63 . HB2 1 4
50 1 2 1 1 64 GLN H . 64 . HN 1 4
51 1 1 1 1 65 GLN QB . 65 . HB# 1 4
51 1 2 1 1 66 LEU H . 66 . HN 1 4
52 1 1 1 1 67 PRO HB2 . 67 . HB2 1 4
52 1 2 1 1 68 VAL H . 68 . HN 1 4
53 1 1 1 1 67 PRO HB3 . 67 . HB1 1 4
53 1 2 1 1 68 VAL H . 68 . HN 1 4
54 1 1 1 1 68 VAL HB . 68 . HB 1 4
54 1 2 1 1 69 THR H . 69 . HN 1 4
55 1 1 1 1 8 PRO QG . 8 . HG# 1 4
55 1 2 1 1 9 ASP H . 9 . HN 1 4
56 1 1 1 1 23 VAL MG1 . 23 . HG1# 1 4
56 1 2 1 1 24 LEU H . 24 . HN 1 4
57 1 1 1 1 31 THR MG . 31 . HG2# 1 4
57 1 2 1 1 32 SER H . 32 . HN 1 4
58 1 1 1 1 40 VAL MG2 . 40 . HG2# 1 4
58 1 2 1 1 41 ILE H . 41 . HN 1 4
59 1 1 1 1 40 VAL MG1 . 40 . HG1# 1 4
59 1 2 1 1 41 ILE H . 41 . HN 1 4
60 1 1 1 1 41 ILE QG . 41 . HG1# 1 4
60 1 2 1 1 42 PHE H . 42 . HN 1 4
61 1 1 1 1 41 ILE MG . 41 . HG2# 1 4
61 1 2 1 1 42 PHE H . 42 . HN 1 4
62 1 1 1 1 48 ARG HG3 . 48 . HG1 1 4
62 1 2 1 1 49 GLN H . 49 . HN 1 4
63 1 1 1 1 48 ARG HG2 . 48 . HG2 1 4
63 1 2 1 1 49 GLN H . 49 . HN 1 4
64 1 1 1 1 49 GLN QG . 49 . HG# 1 4
64 1 2 1 1 50 VAL H . 50 . HN 1 4
65 1 1 1 1 50 VAL MG2 . 50 . HG2# 1 4
65 1 2 1 1 51 CYS H . 51 . HN 1 4
66 1 1 1 1 50 VAL MG1 . 50 . HG1# 1 4
66 1 2 1 1 51 CYS H . 51 . HN 1 4
67 1 1 1 1 58 TRP HE1 . 58 . HE1 1 4
67 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 4
68 1 1 1 1 58 TRP HE3 . 58 . HE3 1 4
68 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 4
69 1 1 1 1 58 TRP H . 58 . HN 1 4
69 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 4
70 1 1 1 1 58 TRP HZ3 . 58 . HZ3 1 4
70 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 4
71 1 1 1 1 59 VAL MG1 . 59 . HG1# 1 4
71 1 2 1 1 60 LYS H . 60 . HN 1 4
72 1 1 1 1 59 VAL MG2 . 59 . HG2# 1 4
72 1 2 1 1 60 LYS H . 60 . HN 1 4
73 1 1 1 1 67 PRO QG . 67 . HG# 1 4
73 1 2 1 1 68 VAL H . 68 . HN 1 4
74 1 1 1 1 68 VAL MG1 . 68 . HG1# 1 4
74 1 2 1 1 69 THR H . 69 . HN 1 4
75 1 1 1 1 68 VAL MG2 . 68 . HG2# 1 4
75 1 2 1 1 69 THR H . 69 . HN 1 4
76 1 1 1 1 24 LEU QD . 24 . HD# 1 4
76 1 2 1 1 25 LEU H . 25 . HN 1 4
77 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 4
77 1 2 1 1 26 SER H . 26 . HN 1 4
78 1 1 1 1 34 LEU QD . 34 . HD# 1 4
78 1 2 1 1 35 CYS H . 35 . HN 1 4
79 1 1 1 1 37 LYS H . 37 . HN 1 4
79 1 2 1 1 38 PRO QD . 38 . HD# 1 4
80 1 1 1 1 43 LEU QD . 43 . HD# 1 4
80 1 2 1 1 44 THR H . 44 . HN 1 4
81 1 1 1 1 54 LYS QD . 54 . HD# 1 4
81 1 2 1 1 55 SER H . 55 . HN 1 4
82 1 1 1 1 62 LEU MD1 . 62 . HD1# 1 4
82 1 2 1 1 63 MET H . 63 . HN 1 4
83 1 1 1 1 62 LEU MD2 . 62 . HD2# 1 4
83 1 2 1 1 63 MET H . 63 . HN 1 4
84 1 1 1 1 5 TRP HE3 . 5 . HE3 1 4
84 1 2 1 1 6 HIS HA . 6 . HA 1 4
85 1 1 1 1 7 ARG HA . 7 . HA 1 4
85 1 2 1 1 8 PRO QD . 8 . HD# 1 4
86 1 1 1 1 18 ARG HA . 18 . HA 1 4
86 1 2 1 1 19 PRO HD3 . 19 . HD1 1 4
87 1 1 1 1 18 ARG HA . 18 . HA 1 4
87 1 2 1 1 19 PRO HD2 . 19 . HD2 1 4
88 1 1 1 1 20 LEU HB3 . 20 . HB1 1 4
88 1 2 1 1 21 PRO HD3 . 21 . HD1 1 4
89 1 1 1 1 20 LEU HB3 . 20 . HB1 1 4
89 1 2 1 1 21 PRO HD2 . 21 . HD2 1 4
90 1 1 1 1 20 LEU HA . 20 . HA 1 4
90 1 2 1 1 21 PRO HD3 . 21 . HD1 1 4
91 1 1 1 1 20 LEU HA . 20 . HA 1 4
91 1 2 1 1 21 PRO HD2 . 21 . HD2 1 4
92 1 1 1 1 27 SER HA . 27 . HA 1 4
92 1 2 1 1 28 TRP HD1 . 28 . HD1 1 4
93 1 1 1 1 28 TRP HE3 . 28 . HE3 1 4
93 1 2 1 1 29 TYR HA . 29 . HA 1 4
94 1 1 1 1 28 TRP HA . 28 . HA 1 4
94 1 2 1 1 29 TYR QD . 29 . HD# 1 4
95 1 1 1 1 29 TYR HB3 . 29 . HB1 1 4
95 1 2 1 1 30 PRO QD . 30 . HD# 1 4
96 1 1 1 1 29 TYR HB2 . 29 . HB2 1 4
96 1 2 1 1 30 PRO QD . 30 . HD# 1 4
97 1 1 1 1 29 TYR HA . 29 . HA 1 4
97 1 2 1 1 30 PRO HD3 . 30 . HD1 1 4
98 1 1 1 1 29 TYR HA . 29 . HA 1 4
98 1 2 1 1 30 PRO HD2 . 30 . HD2 1 4
99 1 1 1 1 42 PHE QD . 42 . HD# 1 4
99 1 2 1 1 43 LEU H . 43 . HN 1 4
100 1 1 1 1 43 LEU HA . 43 . HA 1 4
100 1 2 1 1 44 THR MG . 44 . HG2# 1 4
101 1 1 1 1 44 THR HA . 44 . HA 1 4
101 1 2 1 1 45 LYS QD . 45 . HD# 1 4
102 1 1 1 1 49 GLN HA . 49 . HA 1 4
102 1 2 1 1 50 VAL MG2 . 50 . HG2# 1 4
103 1 1 1 1 58 TRP HE3 . 58 . HE3 1 4
103 1 2 1 1 59 VAL HA . 59 . HA 1 4
104 1 1 1 1 58 TRP HZ3 . 58 . HZ3 1 4
104 1 2 1 1 59 VAL HA . 59 . HA 1 4
105 1 1 1 1 66 LEU HB3 . 66 . HB1 1 4
105 1 2 1 1 67 PRO HD3 . 67 . HD1 1 4
106 1 1 1 1 66 LEU HB3 . 66 . HB1 1 4
106 1 2 1 1 67 PRO HD2 . 67 . HD2 1 4
107 1 1 1 1 66 LEU HA . 66 . HA 1 4
107 1 2 1 1 67 PRO HD3 . 67 . HD1 1 4
108 1 1 1 1 66 LEU HA . 66 . HA 1 4
108 1 2 1 1 67 PRO HD2 . 67 . HD2 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 . . . . . 4.0 1.8 5.5 1 4
2 1 . . . . . 4.0 1.8 4.5 1 4
3 1 . . . . . 4.0 1.8 4.5 1 4
4 1 . . . . . 4.0 1.8 4.5 1 4
5 1 . . . . . 2.4 1.8 3.9 1 4
6 1 . . . . . 3.0 1.8 3.5 1 4
7 1 . . . . . 3.0 1.8 3.5 1 4
8 1 . . . . . 3.0 1.8 4.5 1 4
9 1 . . . . . 3.0 1.8 3.5 1 4
10 1 . . . . . 4.0 1.8 4.5 1 4
11 1 . . . . . 3.0 1.8 3.5 1 4
12 1 . . . . . 4.0 1.8 4.5 1 4
13 1 . . . . . 4.0 1.8 4.5 1 4
14 1 . . . . . 4.0 1.8 4.5 1 4
15 1 . . . . . 3.0 1.8 3.5 1 4
16 1 . . . . . 3.0 1.8 3.5 1 4
17 1 . . . . . 3.0 1.8 3.5 1 4
18 1 . . . . . 3.0 1.8 3.5 1 4
19 1 . . . . . 3.0 1.8 4.0 1 4
20 1 . . . . . 3.0 1.8 4.0 1 4
21 1 . . . . . 4.0 1.8 4.5 1 4
22 1 . . . . . 3.0 1.8 3.5 1 4
23 1 . . . . . 4.0 1.8 5.5 1 4
24 1 . . . . . 4.0 1.8 5.5 1 4
25 1 . . . . . 3.0 1.8 4.5 1 4
26 1 . . . . . 4.0 1.8 4.5 1 4
27 1 . . . . . 4.0 1.8 4.5 1 4
28 1 . . . . . 3.0 1.8 4.5 1 4
29 1 . . . . . 3.0 1.8 3.5 1 4
30 1 . . . . . 4.0 1.8 4.5 1 4
31 1 . . . . . 4.0 1.8 4.5 1 4
32 1 . . . . . 4.0 1.8 4.5 1 4
33 1 . . . . . 3.0 1.8 3.5 1 4
34 1 . . . . . 3.0 1.8 4.5 1 4
35 1 . . . . . 3.0 1.8 3.5 1 4
36 1 . . . . . 3.0 1.8 3.5 1 4
37 1 . . . . . 4.0 1.8 4.5 1 4
38 1 . . . . . 4.0 1.8 4.5 1 4
39 1 . . . . . 4.0 1.8 4.5 1 4
40 1 . . . . . 4.0 1.8 4.5 1 4
41 1 . . . . . 3.0 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 . . . . . 3.0 1.8 4.5 1 4
45 1 . . . . . 3.0 1.8 4.5 1 4
46 1 . . . . . 3.0 1.8 4.5 1 4
47 1 . . . . . 2.4 1.8 3.9 1 4
48 1 . . . . . 3.0 1.8 3.5 1 4
49 1 . . . . . 3.0 1.8 3.5 1 4
50 1 . . . . . 3.0 1.8 3.5 1 4
51 1 . . . . . 3.0 1.8 4.5 1 4
52 1 . . . . . 2.4 1.8 2.9 1 4
53 1 . . . . . 3.0 1.8 3.5 1 4
54 1 . . . . . 4.0 1.8 4.5 1 4
55 1 . . . . . 4.0 1.8 5.5 1 4
56 1 . . . . . 3.0 1.8 4.0 1 4
57 1 . . . . . 3.0 1.8 4.0 1 4
58 1 . . . . . 4.0 1.8 5.0 1 4
59 1 . . . . . 3.0 1.8 4.0 1 4
60 1 . . . . . 4.0 1.8 5.0 1 4
61 1 . . . . . 3.0 1.8 4.0 1 4
62 1 . . . . . 4.0 1.8 4.5 1 4
63 1 . . . . . 4.0 1.8 4.5 1 4
64 1 . . . . . 4.0 1.8 5.5 1 4
65 1 . . . . . 4.0 1.8 5.0 1 4
66 1 . . . . . 3.0 1.8 4.0 1 4
67 1 . . . . . 4.0 1.8 5.0 1 4
68 1 . . . . . 3.0 1.8 4.0 1 4
69 1 . . . . . 4.0 1.8 5.0 1 4
70 1 . . . . . 3.0 1.8 4.0 1 4
71 1 . . . . . 4.0 1.8 5.0 1 4
72 1 . . . . . 4.0 1.8 5.0 1 4
73 1 . . . . . 4.0 1.8 5.5 1 4
74 1 . . . . . 3.0 1.8 4.0 1 4
75 1 . . . . . 3.0 1.8 4.0 1 4
76 1 . . . . . 3.0 1.8 3.5 1 4
77 1 . . . . . 3.0 1.8 3.5 1 4
78 1 . . . . . 4.0 1.8 5.5 1 4
79 1 . . . . . 4.0 1.8 5.5 1 4
80 1 . . . . . 5.0 1.8 7.5 1 4
81 1 . . . . . 4.0 1.8 5.5 1 4
82 1 . . . . . 4.0 1.8 5.0 1 4
83 1 . . . . . 5.0 1.8 6.0 1 4
84 1 . . . . . 4.0 1.8 4.5 1 4
85 1 . . . . . 3.0 1.8 4.5 1 4
86 1 . . . . . 2.4 1.8 2.9 1 4
87 1 . . . . . 2.4 1.8 2.9 1 4
88 1 . . . . . 4.0 1.8 4.5 1 4
89 1 . . . . . 4.0 1.8 4.5 1 4
90 1 . . . . . 3.0 1.8 3.5 1 4
91 1 . . . . . 3.0 1.8 3.5 1 4
92 1 . . . . . 3.0 1.8 3.5 1 4
93 1 . . . . . 3.0 1.8 4.5 1 4
94 1 . . . . . 4.0 1.8 6.8 1 4
95 1 . . . . . 3.0 1.8 4.5 1 4
96 1 . . . . . 3.0 1.8 4.5 1 4
97 1 . . . . . 3.0 1.8 3.5 1 4
98 1 . . . . . 3.0 1.8 3.5 1 4
99 1 . . . . . 5.0 1.8 7.5 1 4
100 1 . . . . . 4.0 1.8 5.0 1 4
101 1 . . . . . 4.0 1.8 5.5 1 4
102 1 . . . . . 4.0 2.8 5.0 1 4
103 1 . . . . . 3.0 1.8 3.5 1 4
104 1 . . . . . 4.0 1.8 4.5 1 4
105 1 . . . . . 3.0 1.8 3.5 1 4
106 1 . . . . . 3.0 1.8 3.5 1 4
107 1 . . . . . 3.0 1.8 3.5 1 4
108 1 . . . . . 3.0 1.8 3.5 1 4
stop_
save_
save_CNS/XPLOR_distance_constraints_9_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 5
_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 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
49 1 . . . 1 5
50 1 . . . 1 5
51 1 . . . 1 5
52 1 . . . 1 5
53 1 . . . 1 5
54 1 . . . 1 5
55 1 . . . 1 5
56 1 . . . 1 5
57 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 12 CYS HA . 12 . HA 1 5
1 1 2 1 1 14 GLY H . 14 . HN 1 5
2 1 1 1 1 21 PRO HA . 21 . HA 1 5
2 1 2 1 1 23 VAL H . 23 . HN 1 5
3 1 1 1 1 22 GLN HA . 22 . HA 1 5
3 1 2 1 1 24 LEU H . 24 . HN 1 5
4 1 1 1 1 23 VAL HA . 23 . HA 1 5
4 1 2 1 1 25 LEU H . 25 . HN 1 5
5 1 1 1 1 22 GLN HA . 22 . HA 1 5
5 1 2 1 1 25 LEU H . 25 . HN 1 5
6 1 1 1 1 57 ASP HA . 57 . HA 1 5
6 1 2 1 1 60 LYS H . 60 . HN 1 5
7 1 1 1 1 58 TRP HA . 58 . HA 1 5
7 1 2 1 1 61 LYS H . 61 . HN 1 5
8 1 1 1 1 60 LYS HA . 60 . HA 1 5
8 1 2 1 1 63 MET H . 63 . HN 1 5
9 1 1 1 1 61 LYS HA . 61 . HA 1 5
9 1 2 1 1 64 GLN H . 64 . HN 1 5
10 1 1 1 1 62 LEU HA . 62 . HA 1 5
10 1 2 1 1 65 GLN H . 65 . HN 1 5
11 1 1 1 1 57 ASP HA . 57 . HA 1 5
11 1 2 1 1 61 LYS H . 61 . HN 1 5
12 1 1 1 1 58 TRP HA . 58 . HA 1 5
12 1 2 1 1 62 LEU H . 62 . HN 1 5
13 1 1 1 1 16 GLN HB2 . 16 . HB2 1 5
13 1 2 1 1 18 ARG H . 18 . HN 1 5
14 1 1 1 1 32 SER QB . 32 . HB# 1 5
14 1 2 1 1 34 LEU H . 34 . HN 1 5
15 1 1 1 1 32 SER QB . 32 . HB# 1 5
15 1 2 1 1 35 CYS H . 35 . HN 1 5
16 1 1 1 1 35 CYS HB2 . 35 . HB2 1 5
16 1 2 1 1 37 LYS H . 37 . HN 1 5
17 1 1 1 1 35 CYS HB3 . 35 . HB1 1 5
17 1 2 1 1 37 LYS H . 37 . HN 1 5
18 1 1 1 1 56 LYS QB . 56 . HB# 1 5
18 1 2 1 1 58 TRP H . 58 . HN 1 5
19 1 1 1 1 56 LYS QB . 56 . HB# 1 5
19 1 2 1 1 59 VAL H . 59 . HN 1 5
20 1 1 1 1 56 LYS QB . 56 . HB# 1 5
20 1 2 1 1 58 TRP HE1 . 58 . HE1 1 5
21 1 1 1 1 58 TRP H . 58 . HN 1 5
21 1 2 1 1 60 LYS QB . 60 . HB# 1 5
22 1 1 1 1 16 GLN HE21 . 16 . HE21 1 5
22 1 2 1 1 18 ARG H . 18 . HN 1 5
23 1 1 1 1 16 GLN HE22 . 16 . HE22 1 5
23 1 2 1 1 18 ARG H . 18 . HN 1 5
24 1 1 1 1 21 PRO QB . 21 . HB# 1 5
24 1 2 1 1 24 LEU H . 24 . HN 1 5
25 1 1 1 1 21 PRO QG . 21 . HG# 1 5
25 1 2 1 1 24 LEU H . 24 . HN 1 5
26 1 1 1 1 24 LEU QD . 24 . HD# 1 5
26 1 2 1 1 26 SER H . 26 . HN 1 5
27 1 1 1 1 16 GLN QG . 16 . HG# 1 5
27 1 2 1 1 18 ARG H . 18 . HN 1 5
28 1 1 1 1 44 THR MG . 44 . HG2# 1 5
28 1 2 1 1 48 ARG H . 48 . HN 1 5
29 1 1 1 1 44 THR H . 44 . HN 1 5
29 1 2 1 1 48 ARG H . 48 . HN 1 5
30 1 1 1 1 59 VAL H . 59 . HN 1 5
30 1 2 1 1 61 LYS H . 61 . HN 1 5
31 1 1 1 1 57 ASP HA . 57 . HA 1 5
31 1 2 1 1 60 LYS QB . 60 . HB# 1 5
32 1 1 1 1 58 TRP HA . 58 . HA 1 5
32 1 2 1 1 61 LYS QB . 61 . HB# 1 5
33 1 1 1 1 59 VAL HA . 59 . HA 1 5
33 1 2 1 1 62 LEU HB3 . 62 . HB1 1 5
34 1 1 1 1 59 VAL HA . 59 . HA 1 5
34 1 2 1 1 62 LEU HB2 . 62 . HB2 1 5
35 1 1 1 1 60 LYS HA . 60 . HA 1 5
35 1 2 1 1 63 MET QB . 63 . HB# 1 5
36 1 1 1 1 61 LYS HA . 61 . HA 1 5
36 1 2 1 1 64 GLN QB . 64 . HB# 1 5
37 1 1 1 1 62 LEU HA . 62 . HA 1 5
37 1 2 1 1 65 GLN HB3 . 65 . HB1 1 5
38 1 1 1 1 62 LEU HA . 62 . HA 1 5
38 1 2 1 1 65 GLN HB2 . 65 . HB2 1 5
39 1 1 1 1 63 MET HA . 63 . HA 1 5
39 1 2 1 1 66 LEU HB2 . 66 . HB2 1 5
40 1 1 1 1 29 TYR HD1 . 29 . HD1 1 5
40 1 2 1 1 31 THR HA . 31 . HA 1 5
41 1 1 1 1 29 TYR HE1 . 29 . HE1 1 5
41 1 2 1 1 31 THR HA . 31 . HA 1 5
42 1 1 1 1 21 PRO HB2 . 21 . HB2 1 5
42 1 2 1 1 23 VAL MG1 . 23 . HG1# 1 5
43 1 1 1 1 21 PRO HB2 . 21 . HB2 1 5
43 1 2 1 1 23 VAL MG2 . 23 . HG2# 1 5
44 1 1 1 1 53 ASP HB2 . 53 . HB2 1 5
44 1 2 1 1 56 LYS QG . 56 . HG# 1 5
45 1 1 1 1 56 LYS QB . 56 . HB# 1 5
45 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 5
46 1 1 1 1 57 ASP HA . 57 . HA 1 5
46 1 2 1 1 60 LYS QD . 60 . HD# 1 5
47 1 1 1 1 60 LYS HA . 60 . HA 1 5
47 1 2 1 1 63 MET QG . 63 . HG# 1 5
48 1 1 1 1 22 GLN HA . 22 . HA 1 5
48 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 5
49 1 1 1 1 58 TRP HE3 . 58 . HE3 1 5
49 1 2 1 1 62 LEU MD1 . 62 . HD1# 1 5
50 1 1 1 1 58 TRP HE3 . 58 . HE3 1 5
50 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 5
51 1 1 1 1 58 TRP HZ3 . 58 . HZ3 1 5
51 1 2 1 1 62 LEU MD1 . 62 . HD1# 1 5
52 1 1 1 1 59 VAL HA . 59 . HA 1 5
52 1 2 1 1 62 LEU MD1 . 62 . HD1# 1 5
53 1 1 1 1 21 PRO QD . 21 . HD# 1 5
53 1 2 1 1 24 LEU QD . 24 . HD# 1 5
54 1 1 1 1 22 GLN HA . 22 . HA 1 5
54 1 2 1 1 25 LEU QD . 25 . HD# 1 5
55 1 1 1 1 28 TRP HE3 . 28 . HE3 1 5
55 1 2 1 1 30 PRO HA . 30 . HA 1 5
56 1 1 1 1 63 MET HA . 63 . HA 1 5
56 1 2 1 1 66 LEU QD . 66 . HD# 1 5
57 1 1 1 1 58 TRP HE3 . 58 . HE3 1 5
57 1 2 1 1 62 LEU HG . 62 . HG 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 . . . . . 4.0 1.8 4.5 1 5
2 1 . . . . . 4.0 1.8 4.5 1 5
3 1 . . . . . 4.0 1.8 4.5 1 5
4 1 . . . . . 4.0 1.8 4.5 1 5
5 1 . . . . . 3.0 1.8 3.5 1 5
6 1 . . . . . 3.0 1.8 3.5 1 5
7 1 . . . . . 3.0 1.8 3.5 1 5
8 1 . . . . . 3.0 1.8 3.5 1 5
9 1 . . . . . 3.0 1.8 3.5 1 5
10 1 . . . . . 3.0 1.8 3.5 1 5
11 1 . . . . . 4.0 1.8 4.5 1 5
12 1 . . . . . 5.0 1.8 5.5 1 5
13 1 . . . . . 4.0 1.8 4.5 1 5
14 1 . . . . . 4.0 1.8 5.5 1 5
15 1 . . . . . 4.0 1.8 5.5 1 5
16 1 . . . . . 4.0 1.8 4.5 1 5
17 1 . . . . . 3.0 1.8 3.5 1 5
18 1 . . . . . 3.0 1.8 4.5 1 5
19 1 . . . . . 3.0 1.8 4.5 1 5
20 1 . . . . . 3.0 1.8 4.5 1 5
21 1 . . . . . 4.0 1.8 5.5 1 5
22 1 . . . . . 5.0 1.8 5.5 1 5
23 1 . . . . . 5.0 1.8 5.5 1 5
24 1 . . . . . 5.0 1.8 6.5 1 5
25 1 . . . . . 5.0 1.8 6.5 1 5
26 1 . . . . . 4.0 1.8 6.5 1 5
27 1 . . . . . 3.0 1.8 4.5 1 5
28 1 . . . . . 3.0 1.8 4.0 1 5
29 1 . . . . . 3.0 1.8 3.5 1 5
30 1 . . . . . 4.0 1.8 4.5 1 5
31 1 . . . . . 3.0 1.8 4.5 1 5
32 1 . . . . . 3.0 1.8 4.5 1 5
33 1 . . . . . 4.0 1.8 4.5 1 5
34 1 . . . . . 4.0 1.8 4.5 1 5
35 1 . . . . . 3.0 1.8 4.5 1 5
36 1 . . . . . 3.0 1.8 4.5 1 5
37 1 . . . . . 3.0 1.8 3.5 1 5
38 1 . . . . . 3.0 1.8 3.5 1 5
39 1 . . . . . 4.0 1.8 4.5 1 5
40 1 . . . . . 4.0 1.8 4.5 1 5
41 1 . . . . . 4.0 1.8 4.5 1 5
42 1 . . . . . 4.0 1.8 5.0 1 5
43 1 . . . . . 4.0 1.8 5.0 1 5
44 1 . . . . . 3.0 1.8 4.5 1 5
45 1 . . . . . 4.0 1.8 6.5 1 5
46 1 . . . . . 3.0 1.8 4.5 1 5
47 1 . . . . . 4.0 2.8 5.5 1 5
48 1 . . . . . 3.0 1.8 5.5 1 5
49 1 . . . . . 2.4 1.8 3.4 1 5
50 1 . . . . . 5.0 1.8 6.0 1 5
51 1 . . . . . 3.0 1.8 4.0 1 5
52 1 . . . . . 3.0 1.8 4.0 1 5
53 1 . . . . . 3.0 1.8 5.5 1 5
54 1 . . . . . 4.0 1.8 6.5 1 5
55 1 . . . . . 5.0 1.8 6.0 1 5
56 1 . . . . . 4.0 1.8 6.5 1 5
57 1 . . . . . 4.0 1.8 4.5 1 5
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 6
_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 6
2 1 . . . 1 6
3 1 . . . 1 6
4 1 . . . 1 6
5 1 . . . 1 6
6 1 . . . 1 6
7 1 . . . 1 6
8 1 . . . 1 6
9 1 . . . 1 6
10 1 . . . 1 6
11 1 . . . 1 6
12 1 . . . 1 6
13 1 . . . 1 6
14 1 . . . 1 6
15 1 . . . 1 6
16 1 . . . 1 6
17 1 . . . 1 6
18 1 . . . 1 6
19 1 . . . 1 6
20 1 . . . 1 6
21 1 . . . 1 6
22 1 . . . 1 6
23 1 . . . 1 6
24 1 . . . 1 6
25 1 . . . 1 6
26 1 . . . 1 6
27 1 . . . 1 6
28 1 . . . 1 6
29 1 . . . 1 6
30 1 . . . 1 6
31 1 . . . 1 6
32 1 . . . 1 6
33 1 . . . 1 6
34 1 . . . 1 6
35 1 . . . 1 6
36 1 . . . 1 6
37 1 . . . 1 6
38 1 . . . 1 6
39 1 . . . 1 6
40 1 . . . 1 6
41 1 . . . 1 6
42 1 . . . 1 6
43 1 . . . 1 6
44 1 . . . 1 6
45 1 . . . 1 6
46 1 . . . 1 6
47 1 . . . 1 6
48 1 . . . 1 6
49 1 . . . 1 6
50 1 . . . 1 6
51 1 . . . 1 6
52 1 . . . 1 6
53 1 . . . 1 6
54 1 . . . 1 6
55 1 . . . 1 6
56 1 . . . 1 6
57 1 . . . 1 6
58 1 . . . 1 6
59 1 . . . 1 6
60 1 . . . 1 6
61 1 . . . 1 6
62 1 . . . 1 6
63 1 . . . 1 6
64 1 . . . 1 6
65 1 . . . 1 6
66 1 . . . 1 6
67 1 . . . 1 6
68 1 . . . 1 6
69 1 . . . 1 6
70 1 . . . 1 6
71 1 . . . 1 6
72 1 . . . 1 6
73 1 . . . 1 6
74 1 . . . 1 6
75 1 . . . 1 6
76 1 . . . 1 6
77 1 . . . 1 6
78 1 . . . 1 6
79 1 . . . 1 6
80 1 . . . 1 6
81 1 . . . 1 6
82 1 . . . 1 6
83 1 . . . 1 6
84 1 . . . 1 6
85 1 . . . 1 6
86 1 . . . 1 6
87 1 . . . 1 6
88 1 . . . 1 6
89 1 . . . 1 6
90 1 . . . 1 6
91 1 . . . 1 6
92 1 . . . 1 6
93 1 . . . 1 6
94 1 . . . 1 6
95 1 . . . 1 6
96 1 . . . 1 6
97 1 . . . 1 6
98 1 . . . 1 6
99 1 . . . 1 6
100 1 . . . 1 6
101 1 . . . 1 6
102 1 . . . 1 6
103 1 . . . 1 6
104 1 . . . 1 6
105 1 . . . 1 6
106 1 . . . 1 6
107 1 . . . 1 6
108 1 . . . 1 6
109 1 . . . 1 6
110 1 . . . 1 6
111 1 . . . 1 6
112 1 . . . 1 6
113 1 . . . 1 6
114 1 . . . 1 6
115 1 . . . 1 6
116 1 . . . 1 6
117 1 . . . 1 6
118 1 . . . 1 6
119 1 . . . 1 6
120 1 . . . 1 6
121 1 . . . 1 6
122 1 . . . 1 6
123 1 . . . 1 6
124 1 . . . 1 6
125 1 . . . 1 6
126 1 . . . 1 6
127 1 . . . 1 6
128 1 . . . 1 6
129 1 . . . 1 6
130 1 . . . 1 6
131 1 . . . 1 6
132 1 . . . 1 6
133 1 . . . 1 6
134 1 . . . 1 6
135 1 . . . 1 6
136 1 . . . 1 6
137 1 . . . 1 6
138 1 . . . 1 6
139 1 . . . 1 6
140 1 . . . 1 6
141 1 . . . 1 6
142 1 . . . 1 6
143 1 . . . 1 6
144 1 . . . 1 6
145 1 . . . 1 6
146 1 . . . 1 6
147 1 . . . 1 6
148 1 . . . 1 6
149 1 . . . 1 6
150 1 . . . 1 6
151 1 . . . 1 6
152 1 . . . 1 6
153 1 . . . 1 6
154 1 . . . 1 6
155 1 . . . 1 6
156 1 . . . 1 6
157 1 . . . 1 6
158 1 . . . 1 6
159 1 . . . 1 6
160 1 . . . 1 6
161 1 . . . 1 6
162 1 . . . 1 6
163 1 . . . 1 6
164 1 . . . 1 6
165 1 . . . 1 6
166 1 . . . 1 6
167 1 . . . 1 6
168 1 . . . 1 6
169 1 . . . 1 6
170 1 . . . 1 6
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 14 GLY H . 14 . HN 1 6
1 1 2 1 1 37 LYS QE . 37 . HE# 1 6
2 1 1 1 1 15 TYR HB2 . 15 . HB2 1 6
2 1 2 1 1 53 ASP H . 53 . HN 1 6
3 1 1 1 1 16 GLN HB3 . 16 . HB1 1 6
3 1 2 1 1 52 ALA HA . 52 . HA 1 6
4 1 1 1 1 16 GLN HB3 . 16 . HB1 1 6
4 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
5 1 1 1 1 16 GLN HB2 . 16 . HB2 1 6
5 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
6 1 1 1 1 16 GLN QG . 16 . HG# 1 6
6 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
7 1 1 1 1 16 GLN HB3 . 16 . HB1 1 6
7 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
8 1 1 1 1 16 GLN HB2 . 16 . HB2 1 6
8 1 2 1 1 50 VAL MG2 . 50 . HG2# 1 6
9 1 1 1 1 16 GLN HB2 . 16 . HB2 1 6
9 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 6
10 1 1 1 1 16 GLN HB2 . 16 . HB2 1 6
10 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
11 1 1 1 1 16 GLN HB2 . 16 . HB2 1 6
11 1 2 1 1 58 TRP HZ3 . 58 . HZ3 1 6
12 1 1 1 1 16 GLN QG . 16 . HG# 1 6
12 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 6
13 1 1 1 1 16 GLN QG . 16 . HG# 1 6
13 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
14 1 1 1 1 17 LYS HA . 17 . HA 1 6
14 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
15 1 1 1 1 19 PRO QG . 19 . HG# 1 6
15 1 2 1 1 58 TRP HE1 . 58 . HE1 1 6
16 1 1 1 1 19 PRO QB . 19 . HB# 1 6
16 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
17 1 1 1 1 19 PRO QB . 19 . HB# 1 6
17 1 2 1 1 58 TRP HE3 . 58 . HE3 1 6
18 1 1 1 1 20 LEU H . 20 . HN 1 6
18 1 2 1 1 58 TRP HE3 . 58 . HE3 1 6
19 1 1 1 1 20 LEU H . 20 . HN 1 6
19 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
20 1 1 1 1 20 LEU H . 20 . HN 1 6
20 1 2 1 1 58 TRP HZ3 . 58 . HZ3 1 6
21 1 1 1 1 20 LEU MD2 . 20 . HD2# 1 6
21 1 2 1 1 58 TRP HZ3 . 58 . HZ3 1 6
22 1 1 1 1 20 LEU MD2 . 20 . HD2# 1 6
22 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
23 1 1 1 1 20 LEU HB3 . 20 . HB1 1 6
23 1 2 1 1 58 TRP HZ3 . 58 . HZ3 1 6
24 1 1 1 1 20 LEU HB2 . 20 . HB2 1 6
24 1 2 1 1 58 TRP HZ3 . 58 . HZ3 1 6
25 1 1 1 1 22 GLN HB2 . 22 . HB2 1 6
25 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 6
26 1 1 1 1 22 GLN QG . 22 . HG# 1 6
26 1 2 1 1 62 LEU HG . 62 . HG# 1 6
27 1 1 1 1 22 GLN H . 22 . HN 1 6
27 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 6
28 1 1 1 1 22 GLN QG . 22 . HG# 1 6
28 1 2 1 1 66 LEU QD . 66 . HD# 1 6
29 1 1 1 1 22 GLN HE21 . 22 . HE21 1 6
29 1 2 1 1 66 LEU QD . 66 . HD# 1 6
30 1 1 1 1 22 GLN HE22 . 22 . HE22 1 6
30 1 2 1 1 66 LEU QD . 66 . HD# 1 6
31 1 1 1 1 24 LEU QD . 24 . HD# 1 6
31 1 2 1 1 46 ARG H . 46 . HN 1 6
32 1 1 1 1 25 LEU HA . 25 . HA 1 6
32 1 2 1 1 45 LYS H . 45 . HN 1 6
33 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 6
33 1 2 1 1 45 LYS H . 45 . HN 1 6
34 1 1 1 1 25 LEU HA . 25 . HA 1 6
34 1 2 1 1 44 THR HA . 44 . HA 1 6
35 1 1 1 1 25 LEU HB2 . 25 . HB2 1 6
35 1 2 1 1 44 THR HA . 44 . HA 1 6
36 1 1 1 1 25 LEU HB3 . 25 . HB1 1 6
36 1 2 1 1 44 THR HA . 44 . HA 1 6
37 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 6
37 1 2 1 1 44 THR HA . 44 . HA 1 6
38 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 6
38 1 2 1 1 58 TRP HE3 . 58 . HE3 1 6
39 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 6
39 1 2 1 1 44 THR HA . 44 . HA 1 6
40 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 6
40 1 2 1 1 44 THR HB . 44 . HB 1 6
41 1 1 1 1 26 SER H . 26 . HN 1 6
41 1 2 1 1 45 LYS H . 45 . HN 1 6
42 1 1 1 1 26 SER QB . 26 . HB# 1 6
42 1 2 1 1 45 LYS H . 45 . HN 1 6
43 1 1 1 1 27 SER H . 27 . HN 1 6
43 1 2 1 1 43 LEU H . 43 . HN 1 6
44 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
44 1 2 1 1 63 MET QB . 63 . HB# 1 6
45 1 1 1 1 28 TRP HZ3 . 28 . HZ3 1 6
45 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 6
46 1 1 1 1 28 TRP HE3 . 28 . HE3 1 6
46 1 2 1 1 40 VAL HB . 40 . HB 1 6
47 1 1 1 1 28 TRP HE3 . 28 . HE3 1 6
47 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 6
48 1 1 1 1 28 TRP HE3 . 28 . HE3 1 6
48 1 2 1 1 40 VAL MG2 . 40 . HG2# 1 6
49 1 1 1 1 28 TRP HH2 . 28 . HH2 1 6
49 1 2 1 1 63 MET ME . 63 . HE# 1 6
50 1 1 1 1 28 TRP QB . 28 . HB# 1 6
50 1 2 1 1 42 PHE HA . 42 . HA 1 6
51 1 1 1 1 28 TRP HA . 28 . HA 1 6
51 1 2 1 1 43 LEU H . 43 . HN 1 6
52 1 1 1 1 28 TRP QB . 28 . HB# 1 6
52 1 2 1 1 43 LEU H . 43 . HN 1 6
53 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
53 1 2 1 1 66 LEU H . 66 . HN 1 6
54 1 1 1 1 28 TRP H . 28 . HN 1 6
54 1 2 1 1 69 THR H . 69 . HN 1 6
55 1 1 1 1 29 TYR HB3 . 29 . HB1 1 6
55 1 2 1 1 69 THR H . 69 . HN 1 6
56 1 1 1 1 29 TYR HB2 . 29 . HB2 1 6
56 1 2 1 1 69 THR H . 69 . HN 1 6
57 1 1 1 1 30 PRO HA . 30 . HA 1 6
57 1 2 1 1 40 VAL HA . 40 . HA 1 6
58 1 1 1 1 30 PRO HA . 30 . HA 1 6
58 1 2 1 1 41 ILE H . 41 . HN 1 6
59 1 1 1 1 11 CYS HA . 11 . HA 1 6
59 1 2 1 1 31 THR HB . 31 . HB 1 6
60 1 1 1 1 11 CYS HA . 11 . HA 1 6
60 1 2 1 1 31 THR MG . 31 . HG2# 1 6
61 1 1 1 1 31 THR MG . 31 . HG2# 1 6
61 1 2 1 1 40 VAL HA . 40 . HA 1 6
62 1 1 1 1 31 THR MG . 31 . HG2# 1 6
62 1 2 1 1 39 GLY H . 39 . HN 1 6
63 1 1 1 1 31 THR H . 31 . HN 1 6
63 1 2 1 1 39 GLY H . 39 . HN 1 6
64 1 1 1 1 11 CYS H . 11 . HN 1 6
64 1 2 1 1 35 CYS HB3 . 35 . HB1 1 6
65 1 1 1 1 13 LEU HA . 13 . HA 1 6
65 1 2 1 1 37 LYS QB . 37 . HB# 1 6
66 1 1 1 1 13 LEU HA . 13 . HA 1 6
66 1 2 1 1 37 LYS QD . 37 . HD# 1 6
67 1 1 1 1 13 LEU HA . 13 . HA 1 6
67 1 2 1 1 37 LYS QG . 37 . HG# 1 6
68 1 1 1 1 31 THR MG . 31 . HG2# 1 6
68 1 2 1 1 38 PRO HB2 . 38 . HB2 1 6
69 1 1 1 1 33 GLN HA . 33 . HA 1 6
69 1 2 1 1 38 PRO HB2 . 38 . HB2 1 6
70 1 1 1 1 39 GLY QA . 39 . HA# 1 6
70 1 2 1 1 54 LYS H . 54 . HN 1 6
71 1 1 1 1 30 PRO HA . 30 . HA 1 6
71 1 2 1 1 40 VAL HB . 40 . HB 1 6
72 1 1 1 1 30 PRO HA . 30 . HA 1 6
72 1 2 1 1 40 VAL MG2 . 40 . HG2# 1 6
73 1 1 1 1 30 PRO HA . 30 . HA 1 6
73 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 6
74 1 1 1 1 31 THR H . 31 . HN 1 6
74 1 2 1 1 40 VAL HA . 40 . HA 1 6
75 1 1 1 1 40 VAL MG1 . 40 . HG1# 1 6
75 1 2 1 1 52 ALA H . 52 . HN 1 6
76 1 1 1 1 40 VAL MG2 . 40 . HG2# 1 6
76 1 2 1 1 52 ALA H . 52 . HN 1 6
77 1 1 1 1 29 TYR H . 29 . HN 1 6
77 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 6
78 1 1 1 1 31 THR H . 31 . HN 1 6
78 1 2 1 1 40 VAL MG1 . 40 . HG1# 1 6
79 1 1 1 1 41 ILE HA . 41 . HA 1 6
79 1 2 1 1 52 ALA H . 52 . HN 1 6
80 1 1 1 1 29 TYR H . 29 . HN 1 6
80 1 2 1 1 41 ILE HB . 41 . HB 1 6
81 1 1 1 1 29 TYR H . 29 . HN 1 6
81 1 2 1 1 41 ILE MG . 41 . HG2# 1 6
82 1 1 1 1 41 ILE MD . 41 . HD1# 1 6
82 1 2 1 1 52 ALA H . 52 . HN 1 6
83 1 1 1 1 41 ILE MG . 41 . HG2# 1 6
83 1 2 1 1 50 VAL H . 50 . HN 1 6
84 1 1 1 1 41 ILE HA . 41 . HA 1 6
84 1 2 1 1 51 CYS HA . 51 . HA 1 6
85 1 1 1 1 41 ILE MD . 41 . HD1# 1 6
85 1 2 1 1 51 CYS HA . 51 . HA 1 6
86 1 1 1 1 41 ILE QG . 41 . HG1# 1 6
86 1 2 1 1 51 CYS HA . 51 . HA 1 6
87 1 1 1 1 29 TYR HE2 . 29 . HE2 1 6
87 1 2 1 1 41 ILE QG . 41 . HG1# 1 6
88 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 6
88 1 2 1 1 42 PHE HB3 . 42 . HB1 1 6
89 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 6
89 1 2 1 1 42 PHE HB2 . 42 . HB2 1 6
90 1 1 1 1 28 TRP HA . 28 . HA 1 6
90 1 2 1 1 42 PHE HA . 42 . HA 1 6
91 1 1 1 1 29 TYR H . 29 . HN 1 6
91 1 2 1 1 42 PHE HA . 42 . HA 1 6
92 1 1 1 1 42 PHE HB2 . 42 . HB2 1 6
92 1 2 1 1 50 VAL H . 50 . HN 1 6
93 1 1 1 1 42 PHE HB2 . 42 . HB2 1 6
93 1 2 1 1 50 VAL HB . 50 . HB 1 6
94 1 1 1 1 42 PHE H . 42 . HN 1 6
94 1 2 1 1 50 VAL H . 50 . HN 1 6
95 1 1 1 1 42 PHE HB2 . 42 . HB2 1 6
95 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 6
96 1 1 1 1 42 PHE HB2 . 42 . HB2 1 6
96 1 2 1 1 50 VAL MG2 . 50 . HG2# 1 6
97 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
97 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 6
98 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
98 1 2 1 1 62 LEU HB3 . 62 . HB1 1 6
99 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
99 1 2 1 1 62 LEU HB2 . 62 . HB2 1 6
100 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
100 1 2 1 1 62 LEU MD1 . 62 . HD1# 1 6
101 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
101 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 6
102 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
102 1 2 1 1 63 MET HG3 . 63 . HG1 1 6
103 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
103 1 2 1 1 63 MET HG2 . 63 . HG2 1 6
104 1 1 1 1 42 PHE HZ . 42 . HZ 1 6
104 1 2 1 1 63 MET H . 63 . HN 1 6
105 1 1 1 1 43 LEU HA . 43 . HA 1 6
105 1 2 1 1 49 GLN HA . 49 . HA 1 6
106 1 1 1 1 26 SER H . 26 . HN 1 6
106 1 2 1 1 43 LEU QB . 43 . HB# 1 6
107 1 1 1 1 27 SER H . 27 . HN 1 6
107 1 2 1 1 43 LEU QB . 43 . HB# 1 6
108 1 1 1 1 28 TRP H . 28 . HN 1 6
108 1 2 1 1 43 LEU QD . 43 . HD# 1 6
109 1 1 1 1 26 SER H . 26 . HN 1 6
109 1 2 1 1 44 THR HA . 44 . HA 1 6
110 1 1 1 1 25 LEU HA . 25 . HA 1 6
110 1 2 1 1 44 THR HB . 44 . HB 1 6
111 1 1 1 1 25 LEU HA . 25 . HA 1 6
111 1 2 1 1 44 THR MG . 44 . HG2# 1 6
112 1 1 1 1 25 LEU H . 25 . HN 1 6
112 1 2 1 1 45 LYS QD . 45 . HD# 1 6
113 1 1 1 1 26 SER H . 26 . HN 1 6
113 1 2 1 1 45 LYS QG . 45 . HG# 1 6
114 1 1 1 1 26 SER QB . 26 . HB# 1 6
114 1 2 1 1 45 LYS HA . 45 . HA 1 6
115 1 1 1 1 24 LEU QD . 24 . HD# 1 6
115 1 2 1 1 47 GLY HA3 . 47 . HA1 1 6
116 1 1 1 1 24 LEU QD . 24 . HD# 1 6
116 1 2 1 1 47 GLY HA2 . 47 . HA2 1 6
117 1 1 1 1 41 ILE MG . 41 . HG2# 1 6
117 1 2 1 1 49 GLN HB2 . 49 . HB2 1 6
118 1 1 1 1 41 ILE MG . 41 . HG2# 1 6
118 1 2 1 1 49 GLN HB3 . 49 . HB1 1 6
119 1 1 1 1 41 ILE MG . 41 . HG2# 1 6
119 1 2 1 1 49 GLN QG . 49 . HG# 1 6
120 1 1 1 1 41 ILE QG . 41 . HG1# 1 6
120 1 2 1 1 49 GLN QG . 49 . HG# 1 6
121 1 1 1 1 41 ILE HA . 41 . HA 1 6
121 1 2 1 1 50 VAL H . 50 . HN 1 6
122 1 1 1 1 42 PHE H . 42 . HN 1 6
122 1 2 1 1 50 VAL HB . 50 . HB 1 6
123 1 1 1 1 16 GLN H . 16 . HN 1 6
123 1 2 1 1 50 VAL MG1 . 50 . HG1# 1 6
124 1 1 1 1 41 ILE QG . 41 . HG1# 1 6
124 1 2 1 1 50 VAL HB . 50 . HB 1 6
125 1 1 1 1 40 VAL H . 40 . HN 1 6
125 1 2 1 1 51 CYS HA . 51 . HA 1 6
126 1 1 1 1 42 PHE H . 42 . HN 1 6
126 1 2 1 1 51 CYS HA . 51 . HA 1 6
127 1 1 1 1 16 GLN H . 16 . HN 1 6
127 1 2 1 1 51 CYS HB3 . 51 . HB1 1 6
128 1 1 1 1 16 GLN H . 16 . HN 1 6
128 1 2 1 1 51 CYS HB2 . 51 . HB2 1 6
129 1 1 1 1 15 TYR HA . 15 . HA 1 6
129 1 2 1 1 51 CYS HB3 . 51 . HB1 1 6
130 1 1 1 1 15 TYR HA . 15 . HA 1 6
130 1 2 1 1 51 CYS HB2 . 51 . HB2 1 6
131 1 1 1 1 40 VAL H . 40 . HN 1 6
131 1 2 1 1 52 ALA H . 52 . HN 1 6
132 1 1 1 1 52 ALA MB . 52 . HB# 1 6
132 1 2 1 1 58 TRP HZ2 . 58 . HZ2 1 6
133 1 1 1 1 52 ALA MB . 52 . HB# 1 6
133 1 2 1 1 58 TRP HH2 . 58 . HH2 1 6
134 1 1 1 1 52 ALA MB . 52 . HB# 1 6
134 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 6
135 1 1 1 1 52 ALA MB . 52 . HB# 1 6
135 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 6
136 1 1 1 1 53 ASP H . 53 . HN 1 6
136 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 6
137 1 1 1 1 54 LYS HA . 54 . HA 1 6
137 1 2 1 1 59 VAL HB . 59 . HB 1 6
138 1 1 1 1 54 LYS HA . 54 . HA 1 6
138 1 2 1 1 59 VAL MG1 . 59 . HG1# 1 6
139 1 1 1 1 54 LYS HA . 54 . HA 1 6
139 1 2 1 1 59 VAL MG2 . 59 . HG2# 1 6
140 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 6
140 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 6
141 1 1 1 1 22 GLN HA . 22 . HA 1 6
141 1 2 1 1 62 LEU MD2 . 62 . HD2# 1 6
142 1 1 1 1 28 TRP HZ2 . 28 . HZ2 1 6
142 1 2 1 1 63 MET HB3 . 63 . HB1 1 6
143 1 1 1 1 28 TRP HZ2 . 28 . HZ2 1 6
143 1 2 1 1 63 MET HB2 . 63 . HB2 1 6
144 1 1 1 1 28 TRP HZ2 . 28 . HZ2 1 6
144 1 2 1 1 63 MET ME . 63 . HE# 1 6
145 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
145 1 2 1 1 63 MET HA . 63 . HA 1 6
146 1 1 1 1 40 VAL MG1 . 40 . HG1# 1 6
146 1 2 1 1 63 MET ME . 63 . HE# 1 6
147 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
147 1 2 1 1 66 LEU HB3 . 66 . HB1 1 6
148 1 1 1 1 28 TRP H . 28 . HN 1 6
148 1 2 1 1 66 LEU HB3 . 66 . HB1 1 6
149 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
149 1 2 1 1 66 LEU HB2 . 66 . HB2 1 6
150 1 1 1 1 28 TRP H . 28 . HN 1 6
150 1 2 1 1 66 LEU HB2 . 66 . HB2 1 6
151 1 1 1 1 28 TRP HD1 . 28 . HD1 1 6
151 1 2 1 1 66 LEU HA . 66 . HA 1 6
152 1 1 1 1 27 SER HA . 27 . HA 1 6
152 1 2 1 1 66 LEU HB3 . 66 . HB1 1 6
153 1 1 1 1 28 TRP HD1 . 28 . HD1 1 6
153 1 2 1 1 66 LEU HB3 . 66 . HB1 1 6
154 1 1 1 1 27 SER HA . 27 . HA 1 6
154 1 2 1 1 66 LEU HB2 . 66 . HB2 1 6
155 1 1 1 1 28 TRP HD1 . 28 . HD1 1 6
155 1 2 1 1 66 LEU HB2 . 66 . HB2 1 6
156 1 1 1 1 27 SER HA . 27 . HA 1 6
156 1 2 1 1 66 LEU HA . 66 . HA 1 6
157 1 1 1 1 22 GLN HA . 22 . HA 1 6
157 1 2 1 1 66 LEU QD . 66 . HD# 1 6
158 1 1 1 1 26 SER HA . 26 . HA 1 6
158 1 2 1 1 66 LEU QD . 66 . HD# 1 6
159 1 1 1 1 27 SER HA . 27 . HA 1 6
159 1 2 1 1 66 LEU QD . 66 . HD# 1 6
160 1 1 1 1 62 LEU HA . 62 . HA 1 6
160 1 2 1 1 66 LEU QD . 66 . HD# 1 6
161 1 1 1 1 66 LEU QD . 66 . HD# 1 6
161 1 2 1 1 67 PRO QD . 67 . HD# 1 6
162 1 1 1 1 28 TRP HD1 . 28 . HD1 1 6
162 1 2 1 1 66 LEU QD . 66 . HD# 1 6
163 1 1 1 1 27 SER HA . 27 . HA 1 6
163 1 2 1 1 68 VAL HA . 68 . HA 1 6
164 1 1 1 1 28 TRP H . 28 . HN 1 6
164 1 2 1 1 68 VAL HA . 68 . HA 1 6
165 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
165 1 2 1 1 68 VAL HA . 68 . HA 1 6
166 1 1 1 1 28 TRP HE1 . 28 . HE1 1 6
166 1 2 1 1 68 VAL MG2 . 68 . HG2# 1 6
167 1 1 1 1 28 TRP HH2 . 28 . HH2 1 6
167 1 2 1 1 68 VAL MG2 . 68 . HG2# 1 6
168 1 1 1 1 28 TRP HZ2 . 28 . HZ2 1 6
168 1 2 1 1 68 VAL MG1 . 68 . HG1# 1 6
169 1 1 1 1 28 TRP HZ2 . 28 . HZ2 1 6
169 1 2 1 1 68 VAL MG2 . 68 . HG2# 1 6
170 1 1 1 1 28 TRP HZ3 . 28 . HZ3 1 6
170 1 2 1 1 68 VAL MG2 . 68 . HG2# 1 6
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 5.5 1 6
2 1 . . . . . 4.0 1.8 4.5 1 6
3 1 . . . . . 4.0 1.8 4.5 1 6
4 1 . . . . . 4.0 1.8 4.5 1 6
5 1 . . . . . 3.0 0.8 3.5 1 6
6 1 . . . . . 4.0 1.8 5.5 1 6
7 1 . . . . . 3.0 1.8 3.5 1 6
8 1 . . . . . 4.0 1.8 5.0 1 6
9 1 . . . . . 3.0 1.8 4.0 1 6
10 1 . . . . . 3.0 1.8 3.5 1 6
11 1 . . . . . 5.0 1.8 5.5 1 6
12 1 . . . . . 4.0 1.8 6.0 1 6
13 1 . . . . . 4.0 1.8 5.5 1 6
14 1 . . . . . 4.0 1.8 4.5 1 6
15 1 . . . . . 4.0 1.8 5.5 1 6
16 1 . . . . . 5.0 1.8 6.5 1 6
17 1 . . . . . 3.0 1.8 4.5 1 6
18 1 . . . . . 4.0 1.8 4.5 1 6
19 1 . . . . . 4.0 1.8 4.5 1 6
20 1 . . . . . 3.0 1.8 3.5 1 6
21 1 . . . . . 4.0 1.8 5.0 1 6
22 1 . . . . . 4.0 1.8 5.0 1 6
23 1 . . . . . 5.0 1.8 6.0 1 6
24 1 . . . . . 4.0 1.8 4.5 1 6
25 1 . . . . . 5.0 1.8 6.0 1 6
26 1 . . . . . 4.0 1.8 5.5 1 6
27 1 . . . . . 4.0 1.8 5.0 1 6
28 1 . . . . . 3.0 1.8 5.5 1 6
29 1 . . . . . 3.0 1.8 5.5 1 6
30 1 . . . . . 3.0 1.8 5.5 1 6
31 1 . . . . . 4.0 1.8 6.5 1 6
32 1 . . . . . 3.0 1.8 3.5 1 6
33 1 . . . . . 4.0 1.8 5.0 1 6
34 1 . . . . . 2.4 1.8 2.9 1 6
35 1 . . . . . 4.0 1.8 4.5 1 6
36 1 . . . . . 4.0 1.8 4.5 1 6
37 1 . . . . . 5.0 1.8 6.0 1 6
38 1 . . . . . 5.0 1.8 6.0 1 6
39 1 . . . . . 2.4 1.8 3.4 1 6
40 1 . . . . . 3.0 1.8 4.0 1 6
41 1 . . . . . 4.0 1.8 4.5 1 6
42 1 . . . . . 5.0 1.8 6.5 1 6
43 1 . . . . . 3.0 1.8 3.5 1 6
44 1 . . . . . 4.0 1.8 5.5 1 6
45 1 . . . . . 4.0 1.8 5.0 1 6
46 1 . . . . . 3.0 1.8 4.0 1 6
47 1 . . . . . 4.0 1.8 5.0 1 6
48 1 . . . . . 3.0 1.8 4.0 1 6
49 1 . . . . . 3.0 1.8 4.0 1 6
50 1 . . . . . 3.0 1.8 4.5 1 6
51 1 . . . . . 3.0 1.8 3.5 1 6
52 1 . . . . . 4.0 1.8 5.5 1 6
53 1 . . . . . . 1.8 3.5 1 6
54 1 . . . . . 3.0 1.8 3.5 1 6
55 1 . . . . . 5.0 1.8 5.5 1 6
56 1 . . . . . 5.0 1.8 5.5 1 6
57 1 . . . . . 2.4 1.8 2.9 1 6
58 1 . . . . . 4.0 1.8 4.5 1 6
59 1 . . . . . 4.0 1.8 4.5 1 6
60 1 . . . . . 3.0 1.8 4.0 1 6
61 1 . . . . . 3.0 1.8 4.0 1 6
62 1 . . . . . 3.0 1.8 4.0 1 6
63 1 . . . . . 4.0 1.8 5.0 1 6
64 1 . . . . . 4.0 1.8 5.0 1 6
65 1 . . . . . 5.0 1.8 6.5 1 6
66 1 . . . . . 5.0 1.8 6.5 1 6
67 1 . . . . . 2.4 1.8 3.9 1 6
68 1 . . . . . 3.0 1.8 4.0 1 6
69 1 . . . . . 4.0 1.8 5.0 1 6
70 1 . . . . . 4.0 1.8 5.5 1 6
71 1 . . . . . 4.0 1.8 4.5 1 6
72 1 . . . . . 4.0 1.8 5.0 1 6
73 1 . . . . . 3.0 1.8 4.0 1 6
74 1 . . . . . 3.0 1.8 3.5 1 6
75 1 . . . . . 5.0 1.8 6.0 1 6
76 1 . . . . . 5.0 1.8 6.0 1 6
77 1 . . . . . 4.0 1.8 5.0 1 6
78 1 . . . . . 4.0 1.8 5.0 1 6
79 1 . . . . . 4.0 1.8 4.5 1 6
80 1 . . . . . 4.0 1.8 4.5 1 6
81 1 . . . . . 5.0 1.8 6.0 1 6
82 1 . . . . . 4.0 1.8 5.0 1 6
83 1 . . . . . 3.0 1.8 4.0 1 6
84 1 . . . . . 2.4 1.8 2.9 1 6
85 1 . . . . . 3.0 1.8 4.0 1 6
86 1 . . . . . 4.0 1.8 5.0 1 6
87 1 . . . . . 4.0 1.8 5.0 1 6
88 1 . . . . . 3.0 1.8 4.5 1 6
89 1 . . . . . 3.0 1.8 4.5 1 6
90 1 . . . . . 2.4 1.8 2.9 1 6
91 1 . . . . . 3.0 1.8 3.5 1 6
92 1 . . . . . 4.0 1.8 4.5 1 6
93 1 . . . . . 3.0 1.8 3.5 1 6
94 1 . . . . . 3.0 1.8 3.5 1 6
95 1 . . . . . 4.0 1.8 5.0 1 6
96 1 . . . . . 4.0 1.8 5.0 1 6
97 1 . . . . . 3.0 1.8 4.0 1 6
98 1 . . . . . 4.0 1.8 4.5 1 6
99 1 . . . . . 3.0 1.8 3.5 1 6
100 1 . . . . . 3.0 1.8 4.0 1 6
101 1 . . . . . 5.0 1.8 6.0 1 6
102 1 . . . . . 4.0 1.8 4.5 1 6
103 1 . . . . . 4.0 1.8 4.5 1 6
104 1 . . . . . 4.0 1.8 5.0 1 6
105 1 . . . . . 3.0 1.8 3.5 1 6
106 1 . . . . . 4.0 1.8 5.5 1 6
107 1 . . . . . 3.0 1.8 4.5 1 6
108 1 . . . . . 4.0 1.8 6.5 1 6
109 1 . . . . . 3.0 1.8 3.5 1 6
110 1 . . . . . 3.0 1.8 3.5 1 6
111 1 . . . . . 4.0 1.8 5.0 1 6
112 1 . . . . . 3.0 1.8 4.5 1 6
113 1 . . . . . 4.0 1.8 5.5 1 6
114 1 . . . . . 4.0 1.8 5.5 1 6
115 1 . . . . . 4.0 1.8 6.5 1 6
116 1 . . . . . 4.0 1.8 6.5 1 6
117 1 . . . . . 3.0 1.8 4.0 1 6
118 1 . . . . . 3.0 1.8 4.0 1 6
119 1 . . . . . 4.0 1.8 6.0 1 6
120 1 . . . . . 4.0 1.8 6.0 1 6
121 1 . . . . . 4.0 1.8 4.5 1 6
122 1 . . . . . 4.0 1.8 5.0 1 6
123 1 . . . . . 4.0 1.8 5.0 1 6
124 1 . . . . . 5.0 1.8 6.5 1 6
125 1 . . . . . 5.0 1.8 5.5 1 6
126 1 . . . . . 4.0 1.8 4.5 1 6
127 1 . . . . . 4.0 1.8 4.5 1 6
128 1 . . . . . 4.0 1.8 4.5 1 6
129 1 . . . . . 3.0 1.8 3.5 1 6
130 1 . . . . . 4.0 1.8 4.5 1 6
131 1 . . . . . 3.0 1.8 3.5 1 6
132 1 . . . . . 4.0 1.8 5.5 1 6
133 1 . . . . . 4.0 1.8 5.0 1 6
134 1 . . . . . 3.0 1.8 4.5 1 6
135 1 . . . . . 3.0 1.8 4.5 1 6
136 1 . . . . . 4.0 1.8 5.0 1 6
137 1 . . . . . 4.0 1.8 4.5 1 6
138 1 . . . . . 3.0 1.8 4.0 1 6
139 1 . . . . . 4.0 1.8 5.0 1 6
140 1 . . . . . 3.0 1.8 4.5 1 6
141 1 . . . . . 3.0 1.8 4.0 1 6
142 1 . . . . . 5.0 1.8 5.5 1 6
143 1 . . . . . 5.0 1.8 5.5 1 6
144 1 . . . . . 3.0 1.8 4.5 1 6
145 1 . . . . . 2.4 1.8 2.9 1 6
146 1 . . . . . 3.0 1.8 4.0 1 6
147 1 . . . . . 4.0 1.8 4.5 1 6
148 1 . . . . . 4.0 1.8 4.5 1 6
149 1 . . . . . 3.0 1.8 3.5 1 6
150 1 . . . . . 4.0 1.8 4.5 1 6
151 1 . . . . . 5.0 1.8 5.5 1 6
152 1 . . . . . 3.0 1.8 3.5 1 6
153 1 . . . . . 3.0 1.8 3.5 1 6
154 1 . . . . . 3.0 1.8 3.5 1 6
155 1 . . . . . 2.4 1.8 2.9 1 6
156 1 . . . . . 4.0 1.8 4.5 1 6
157 1 . . . . . 3.0 1.8 5.5 1 6
158 1 . . . . . 3.0 1.8 5.5 1 6
159 1 . . . . . 3.0 1.8 5.5 1 6
160 1 . . . . . 3.0 1.8 5.5 1 6
161 1 . . . . . 3.0 1.8 5.5 1 6
162 1 . . . . . 3.0 1.8 5.5 1 6
163 1 . . . . . 4.0 1.8 4.5 1 6
164 1 . . . . . 4.0 1.8 4.5 1 6
165 1 . . . . . 4.0 1.8 4.5 1 6
166 1 . . . . . 4.0 1.8 5.0 1 6
167 1 . . . . . 4.0 1.8 5.0 1 6
168 1 . . . . . 5.0 1.8 6.0 1 6
169 1 . . . . . 3.0 1.8 4.0 1 6
170 1 . . . . . 5.0 2.8 6.0 1 6
stop_
save_
save_CNS/XPLOR_distance_constraints_11_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 7
_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 7
2 1 . . . 1 7
3 1 . . . 1 7
4 1 . . . 1 7
5 1 . . . 1 7
6 1 . . . 1 7
7 1 . . . 1 7
8 1 . . . 1 7
9 1 . . . 1 7
10 1 . . . 1 7
11 1 . . . 1 7
12 1 . . . 1 7
13 1 . . . 1 7
14 1 . . . 1 7
15 1 . . . 1 7
16 1 . . . 1 7
17 1 . . . 1 7
18 1 . . . 1 7
19 1 . . . 1 7
20 1 . . . 1 7
21 1 . . . 1 7
22 1 . . . 1 7
23 1 . . . 1 7
24 1 . . . 1 7
25 1 . . . 1 7
26 1 . . . 1 7
27 1 . . . 1 7
28 1 . . . 1 7
29 1 . . . 1 7
30 1 . . . 1 7
31 1 . . . 1 7
32 1 . . . 1 7
33 1 . . . 1 7
34 1 . . . 1 7
35 1 . . . 1 7
36 1 . . . 1 7
37 1 . . . 1 7
38 1 . . . 1 7
39 1 . . . 1 7
40 1 . . . 1 7
41 1 . . . 1 7
42 1 . . . 1 7
43 1 . . . 1 7
44 1 . . . 1 7
45 1 . . . 1 7
46 1 . . . 1 7
47 1 . . . 1 7
48 1 . . . 1 7
49 1 . . . 1 7
50 1 . . . 1 7
51 1 . . . 1 7
52 1 . . . 1 7
53 1 . . . 1 7
54 1 . . . 1 7
55 1 . . . 1 7
56 1 . . . 1 7
57 1 . . . 1 7
58 1 . . . 1 7
59 1 . . . 1 7
60 1 . . . 1 7
61 1 . . . 1 7
62 1 . . . 1 7
63 1 . . . 1 7
64 1 . . . 1 7
65 1 . . . 1 7
66 1 . . . 1 7
67 1 . . . 1 7
68 1 . . . 1 7
69 1 . . . 1 7
70 1 . . . 1 7
71 1 . . . 1 7
72 1 . . . 1 7
73 1 . . . 1 7
74 1 . . . 1 7
75 1 . . . 1 7
76 1 . . . 1 7
77 1 . . . 1 7
78 1 . . . 1 7
79 1 . . . 1 7
80 1 . . . 1 7
81 1 . . . 1 7
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 9 ASP H . 9 . HN 1 7
1 1 2 1 1 10 LYS H . 10 . HN 1 7
2 1 1 1 1 17 LYS H . 17 . HN 1 7
2 1 2 1 1 18 ARG H . 18 . HN 1 7
3 1 1 1 1 22 GLN H . 22 . HN 1 7
3 1 2 1 1 23 VAL H . 23 . HN 1 7
4 1 1 1 1 23 VAL H . 23 . HN 1 7
4 1 2 1 1 24 LEU H . 24 . HN 1 7
5 1 1 1 1 24 LEU H . 24 . HN 1 7
5 1 2 1 1 25 LEU H . 25 . HN 1 7
6 1 1 1 1 26 SER H . 26 . HN 1 7
6 1 2 1 1 27 SER H . 27 . HN 1 7
7 1 1 1 1 33 GLN H . 33 . HN 1 7
7 1 2 1 1 34 LEU H . 34 . HN 1 7
8 1 1 1 1 34 LEU H . 34 . HN 1 7
8 1 2 1 1 35 CYS H . 35 . HN 1 7
9 1 1 1 1 36 SER H . 36 . HN 1 7
9 1 2 1 1 37 LYS H . 37 . HN 1 7
10 1 1 1 1 46 ARG H . 46 . HN 1 7
10 1 2 1 1 47 GLY H . 47 . HN 1 7
11 1 1 1 1 47 GLY H . 47 . HN 1 7
11 1 2 1 1 48 ARG H . 48 . HN 1 7
12 1 1 1 1 49 GLN H . 49 . HN 1 7
12 1 2 1 1 50 VAL H . 50 . HN 1 7
13 1 1 1 1 54 LYS H . 54 . HN 1 7
13 1 2 1 1 55 SER H . 55 . HN 1 7
14 1 1 1 1 55 SER H . 55 . HN 1 7
14 1 2 1 1 56 LYS H . 56 . HN 1 7
15 1 1 1 1 57 ASP H . 57 . HN 1 7
15 1 2 1 1 58 TRP H . 58 . HN 1 7
16 1 1 1 1 58 TRP HD1 . 58 . HD1 1 7
16 1 2 1 1 59 VAL H . 59 . HN 1 7
17 1 1 1 1 58 TRP H . 58 . HN 1 7
17 1 2 1 1 59 VAL H . 59 . HN 1 7
18 1 1 1 1 59 VAL H . 59 . HN 1 7
18 1 2 1 1 60 LYS H . 60 . HN 1 7
19 1 1 1 1 60 LYS H . 60 . HN 1 7
19 1 2 1 1 61 LYS H . 61 . HN 1 7
20 1 1 1 1 61 LYS H . 61 . HN 1 7
20 1 2 1 1 62 LEU H . 62 . HN 1 7
21 1 1 1 1 62 LEU H . 62 . HN 1 7
21 1 2 1 1 63 MET H . 63 . HN 1 7
22 1 1 1 1 63 MET H . 63 . HN 1 7
22 1 2 1 1 64 GLN H . 64 . HN 1 7
23 1 1 1 1 64 GLN H . 64 . HN 1 7
23 1 2 1 1 65 GLN H . 65 . HN 1 7
24 1 1 1 1 65 GLN H . 65 . HN 1 7
24 1 2 1 1 66 LEU H . 66 . HN 1 7
25 1 1 1 1 70 ALA H . 70 . HN 1 7
25 1 2 1 1 71 ARG H . 71 . HN 1 7
26 1 1 1 1 3 ALA HA . 3 . HA 1 7
26 1 2 1 1 4 SER H . 4 . HN 1 7
27 1 1 1 1 4 SER HA . 4 . HA 1 7
27 1 2 1 1 5 TRP H . 5 . HN 1 7
28 1 1 1 1 5 TRP HA . 5 . HA 1 7
28 1 2 1 1 6 HIS H . 6 . HN 1 7
29 1 1 1 1 6 HIS HA . 6 . HA 1 7
29 1 2 1 1 7 ARG H . 7 . HN 1 7
30 1 1 1 1 8 PRO HA . 8 . HA 1 7
30 1 2 1 1 9 ASP H . 9 . HN 1 7
31 1 1 1 1 9 ASP HA . 9 . HA 1 7
31 1 2 1 1 10 LYS H . 10 . HN 1 7
32 1 1 1 1 10 LYS HA . 10 . HA 1 7
32 1 2 1 1 11 CYS H . 11 . HN 1 7
33 1 1 1 1 11 CYS HA . 11 . HA 1 7
33 1 2 1 1 12 CYS H . 12 . HN 1 7
34 1 1 1 1 12 CYS HA . 12 . HA 1 7
34 1 2 1 1 13 LEU H . 13 . HN 1 7
35 1 1 1 1 13 LEU HA . 13 . HA 1 7
35 1 2 1 1 14 GLY H . 14 . HN 1 7
36 1 1 1 1 14 GLY HA3 . 14 . HA1 1 7
36 1 2 1 1 15 TYR H . 15 . HN 1 7
37 1 1 1 1 14 GLY HA2 . 14 . HA2 1 7
37 1 2 1 1 15 TYR H . 15 . HN 1 7
38 1 1 1 1 15 TYR HA . 15 . HA 1 7
38 1 2 1 1 16 GLN H . 16 . HN 1 7
39 1 1 1 1 16 GLN HA . 16 . HA 1 7
39 1 2 1 1 17 LYS H . 17 . HN 1 7
40 1 1 1 1 17 LYS HA . 17 . HA 1 7
40 1 2 1 1 18 ARG H . 18 . HN 1 7
41 1 1 1 1 19 PRO HA . 19 . HA 1 7
41 1 2 1 1 20 LEU H . 20 . HN 1 7
42 1 1 1 1 21 PRO HA . 21 . HA 1 7
42 1 2 1 1 22 GLN H . 22 . HN 1 7
43 1 1 1 1 22 GLN HA . 22 . HA 1 7
43 1 2 1 1 23 VAL H . 23 . HN 1 7
44 1 1 1 1 23 VAL HA . 23 . HA 1 7
44 1 2 1 1 24 LEU H . 24 . HN 1 7
45 1 1 1 1 25 LEU HA . 25 . HA 1 7
45 1 2 1 1 26 SER H . 26 . HN 1 7
46 1 1 1 1 27 SER HA . 27 . HA 1 7
46 1 2 1 1 28 TRP H . 28 . HN 1 7
47 1 1 1 1 28 TRP HA . 28 . HA 1 7
47 1 2 1 1 29 TYR H . 29 . HN 1 7
48 1 1 1 1 30 PRO HA . 30 . HA 1 7
48 1 2 1 1 31 THR H . 31 . HN 1 7
49 1 1 1 1 31 THR HA . 31 . HA 1 7
49 1 2 1 1 32 SER H . 32 . HN 1 7
50 1 1 1 1 32 SER HA . 32 . HA 1 7
50 1 2 1 1 33 GLN H . 33 . HN 1 7
51 1 1 1 1 33 GLN HA . 33 . HA 1 7
51 1 2 1 1 34 LEU H . 34 . HN 1 7
52 1 1 1 1 34 LEU HA . 34 . HA 1 7
52 1 2 1 1 35 CYS H . 35 . HN 1 7
53 1 1 1 1 35 CYS HA . 35 . HA 1 7
53 1 2 1 1 36 SER H . 36 . HN 1 7
54 1 1 1 1 36 SER HA . 36 . HA 1 7
54 1 2 1 1 37 LYS H . 37 . HN 1 7
55 1 1 1 1 38 PRO HA . 38 . HA 1 7
55 1 2 1 1 39 GLY H . 39 . HN 1 7
56 1 1 1 1 39 GLY QA . 39 . HA# 1 7
56 1 2 1 1 40 VAL H . 40 . HN 1 7
57 1 1 1 1 40 VAL HA . 40 . HA 1 7
57 1 2 1 1 41 ILE H . 41 . HN 1 7
58 1 1 1 1 41 ILE HA . 41 . HA 1 7
58 1 2 1 1 42 PHE H . 42 . HN 1 7
59 1 1 1 1 42 PHE HA . 42 . HA 1 7
59 1 2 1 1 43 LEU H . 43 . HN 1 7
60 1 1 1 1 43 LEU HA . 43 . HA 1 7
60 1 2 1 1 44 THR H . 44 . HN 1 7
61 1 1 1 1 44 THR HA . 44 . HA 1 7
61 1 2 1 1 45 LYS H . 45 . HN 1 7
62 1 1 1 1 47 GLY HA3 . 47 . HA1 1 7
62 1 2 1 1 48 ARG H . 48 . HN 1 7
63 1 1 1 1 47 GLY HA2 . 47 . HA2 1 7
63 1 2 1 1 48 ARG H . 48 . HN 1 7
64 1 1 1 1 48 ARG HA . 48 . HA 1 7
64 1 2 1 1 49 GLN H . 49 . HN 1 7
65 1 1 1 1 49 GLN HA . 49 . HA 1 7
65 1 2 1 1 50 VAL H . 50 . HN 1 7
66 1 1 1 1 50 VAL HA . 50 . HA 1 7
66 1 2 1 1 51 CYS H . 51 . HN 1 7
67 1 1 1 1 51 CYS HA . 51 . HA 1 7
67 1 2 1 1 52 ALA H . 52 . HN 1 7
68 1 1 1 1 52 ALA HA . 52 . HA 1 7
68 1 2 1 1 53 ASP H . 53 . HN 1 7
69 1 1 1 1 53 ASP HA . 53 . HA 1 7
69 1 2 1 1 54 LYS H . 54 . HN 1 7
70 1 1 1 1 54 LYS HA . 54 . HA 1 7
70 1 2 1 1 55 SER H . 55 . HN 1 7
71 1 1 1 1 55 SER HA . 55 . HA 1 7
71 1 2 1 1 56 LYS H . 56 . HN 1 7
72 1 1 1 1 56 LYS HA . 56 . HA 1 7
72 1 2 1 1 57 ASP H . 57 . HN 1 7
73 1 1 1 1 57 ASP HA . 57 . HA 1 7
73 1 2 1 1 58 TRP H . 58 . HN 1 7
74 1 1 1 1 58 TRP HA . 58 . HA 1 7
74 1 2 1 1 59 VAL H . 59 . HN 1 7
75 1 1 1 1 59 VAL HA . 59 . HA 1 7
75 1 2 1 1 60 LYS H . 60 . HN 1 7
76 1 1 1 1 60 LYS HA . 60 . HA 1 7
76 1 2 1 1 61 LYS H . 61 . HN 1 7
77 1 1 1 1 62 LEU HA . 62 . HA 1 7
77 1 2 1 1 63 MET H . 63 . HN 1 7
78 1 1 1 1 63 MET HA . 63 . HA 1 7
78 1 2 1 1 64 GLN H . 64 . HN 1 7
79 1 1 1 1 64 GLN HA . 64 . HA 1 7
79 1 2 1 1 65 GLN H . 65 . HN 1 7
80 1 1 1 1 65 GLN HA . 65 . HA 1 7
80 1 2 1 1 66 LEU H . 66 . HN 1 7
81 1 1 1 1 70 ALA H . 70 . HN 1 7
81 1 2 1 1 70 ALA HA . 70 . HA 1 7
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 7
2 1 . . . . . 4.0 1.8 4.5 1 7
3 1 . . . . . 3.0 1.8 3.5 1 7
4 1 . . . . . 3.0 1.8 3.5 1 7
5 1 . . . . . 2.4 1.8 2.9 1 7
6 1 . . . . . 3.0 1.8 3.5 1 7
7 1 . . . . . 3.0 1.8 3.5 1 7
8 1 . . . . . 3.0 1.8 3.5 1 7
9 1 . . . . . 4.0 1.8 4.5 1 7
10 1 . . . . . 2.4 1.8 2.9 1 7
11 1 . . . . . 3.0 1.8 3.5 1 7
12 1 . . . . . 5.0 1.8 5.5 1 7
13 1 . . . . . 3.0 1.8 3.5 1 7
14 1 . . . . . 3.0 1.8 3.5 1 7
15 1 . . . . . 4.0 1.8 4.5 1 7
16 1 . . . . . 4.0 1.8 4.5 1 7
17 1 . . . . . 3.0 1.8 3.5 1 7
18 1 . . . . . 2.4 1.8 2.9 1 7
19 1 . . . . . 3.0 1.8 3.5 1 7
20 1 . . . . . 3.0 1.8 3.5 1 7
21 1 . . . . . 3.0 1.8 3.5 1 7
22 1 . . . . . 3.0 1.8 3.5 1 7
23 1 . . . . . 3.0 1.8 3.5 1 7
24 1 . . . . . 3.0 1.8 3.5 1 7
25 1 . . . . . 4.0 1.8 4.5 1 7
26 1 . . . . . 4.0 1.8 4.5 1 7
27 1 . . . . . 3.0 1.8 3.5 1 7
28 1 . . . . . 3.0 1.8 3.5 1 7
29 1 . . . . . 3.0 1.8 3.5 1 7
30 1 . . . . . 2.4 1.8 2.9 1 7
31 1 . . . . . 3.0 1.8 3.5 1 7
32 1 . . . . . 3.0 1.8 3.5 1 7
33 1 . . . . . 4.0 1.8 4.5 1 7
34 1 . . . . . 3.0 1.8 3.5 1 7
35 1 . . . . . 3.0 1.8 3.5 1 7
36 1 . . . . . 2.4 1.6 2.9 1 7
37 1 . . . . . 2.4 1.6 2.9 1 7
38 1 . . . . . 2.4 1.8 2.9 1 7
39 1 . . . . . 3.0 1.8 3.5 1 7
40 1 . . . . . 3.0 1.8 3.5 1 7
41 1 . . . . . 4.0 1.8 4.5 1 7
42 1 . . . . . 2.4 1.8 2.9 1 7
43 1 . . . . . 3.0 1.8 3.5 1 7
44 1 . . . . . 3.0 1.8 3.5 1 7
45 1 . . . . . 3.0 1.8 3.5 1 7
46 1 . . . . . 3.0 1.8 3.5 1 7
47 1 . . . . . 2.4 1.8 2.9 1 7
48 1 . . . . . 2.4 1.8 2.9 1 7
49 1 . . . . . 2.4 1.8 2.9 1 7
50 1 . . . . . 3.0 1.8 3.5 1 7
51 1 . . . . . 3.0 1.8 3.5 1 7
52 1 . . . . . 3.0 1.8 3.5 1 7
53 1 . . . . . 3.0 1.8 3.5 1 7
54 1 . . . . . 3.0 1.8 3.5 1 7
55 1 . . . . . 2.4 1.8 2.9 1 7
56 1 . . . . . 3.0 1.8 4.0 1 7
57 1 . . . . . 3.0 1.8 3.5 1 7
58 1 . . . . . 2.4 1.8 2.9 1 7
59 1 . . . . . 2.4 1.8 2.9 1 7
60 1 . . . . . 2.4 1.8 2.9 1 7
61 1 . . . . . 3.0 1.8 3.5 1 7
62 1 . . . . . 4.0 1.8 4.5 1 7
63 1 . . . . . 4.0 1.8 4.5 1 7
64 1 . . . . . 2.4 1.8 2.9 1 7
65 1 . . . . . 2.4 1.8 2.9 1 7
66 1 . . . . . 2.4 1.8 2.9 1 7
67 1 . . . . . 2.4 1.8 2.9 1 7
68 1 . . . . . 3.0 1.8 3.5 1 7
69 1 . . . . . 2.4 1.8 2.9 1 7
70 1 . . . . . 3.0 1.8 3.5 1 7
71 1 . . . . . 4.0 1.8 4.5 1 7
72 1 . . . . . 3.0 1.8 3.5 1 7
73 1 . . . . . 4.0 1.8 4.5 1 7
74 1 . . . . . 4.0 1.8 4.5 1 7
75 1 . . . . . 3.0 1.8 3.5 1 7
76 1 . . . . . 4.0 1.8 4.5 1 7
77 1 . . . . . 3.0 1.8 3.5 1 7
78 1 . . . . . 3.0 1.8 3.5 1 7
79 1 . . . . . 3.0 1.8 3.5 1 7
80 1 . . . . . 3.0 1.8 3.5 1 7
81 1 . . . . . 2.4 1.8 2.9 1 7
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 8
_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 8
2 1 . . . 1 8
3 1 . . . 1 8
4 1 . . . 1 8
5 1 . . . 1 8
6 1 . . . 1 8
7 1 . . . 1 8
8 1 . . . 1 8
9 1 . . . 1 8
10 1 . . . 1 8
11 1 . . . 1 8
12 1 . . . 1 8
13 1 . . . 1 8
14 1 . . . 1 8
15 1 . . . 1 8
16 1 . . . 1 8
17 1 . . . 1 8
18 1 . . . 1 8
19 1 . . . 1 8
20 1 . . . 1 8
21 1 . . . 1 8
22 1 . . . 1 8
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 27 SER O . 27 . O 1 8
1 1 2 1 1 43 LEU H . 43 . HN 1 8
2 1 1 1 1 27 SER O . 27 . O 1 8
2 1 2 1 1 43 LEU N . 43 . N 1 8
3 1 1 1 1 29 TYR O . 29 . O 1 8
3 1 2 1 1 41 ILE H . 41 . HN 1 8
4 1 1 1 1 29 TYR O . 29 . O 1 8
4 1 2 1 1 41 ILE N . 41 . N 1 8
5 1 1 1 1 40 VAL O . 40 . O 1 8
5 1 2 1 1 52 ALA H . 52 . HN 1 8
6 1 1 1 1 40 VAL O . 40 . O 1 8
6 1 2 1 1 52 ALA N . 52 . N 1 8
7 1 1 1 1 42 PHE O . 42 . O 1 8
7 1 2 1 1 50 VAL H . 50 . HN 1 8
8 1 1 1 1 42 PHE O . 42 . O 1 8
8 1 2 1 1 50 VAL N . 50 . N 1 8
9 1 1 1 1 29 TYR H . 29 . HN 1 8
9 1 2 1 1 41 ILE O . 41 . O 1 8
10 1 1 1 1 29 TYR N . 29 . N 1 8
10 1 2 1 1 41 ILE O . 41 . O 1 8
11 1 1 1 1 44 THR H . 44 . HN 1 8
11 1 2 1 1 48 ARG O . 48 . O 1 8
12 1 1 1 1 44 THR N . 44 . N 1 8
12 1 2 1 1 48 ARG O . 48 . O 1 8
13 1 1 1 1 42 PHE H . 42 . HN 1 8
13 1 2 1 1 50 VAL O . 50 . O 1 8
14 1 1 1 1 42 PHE N . 42 . N 1 8
14 1 2 1 1 50 VAL O . 50 . O 1 8
15 1 1 1 1 40 VAL H . 40 . HN 1 8
15 1 2 1 1 52 ALA O . 52 . O 1 8
16 1 1 1 1 40 VAL N . 40 . N 1 8
16 1 2 1 1 52 ALA O . 52 . O 1 8
17 1 1 1 1 58 TRP O . 58 . O 1 8
17 1 2 1 1 62 LEU H . 62 . HN 1 8
18 1 1 1 1 58 TRP O . 58 . O 1 8
18 1 2 1 1 62 LEU N . 62 . N 1 8
19 1 1 1 1 60 LYS O . 60 . O 1 8
19 1 2 1 1 64 GLN H . 64 . HN 1 8
20 1 1 1 1 60 LYS O . 60 . O 1 8
20 1 2 1 1 64 GLN N . 64 . N 1 8
21 1 1 1 1 61 LYS O . 61 . O 1 8
21 1 2 1 1 65 GLN H . 65 . HN 1 8
22 1 1 1 1 61 LYS O . 61 . O 1 8
22 1 2 1 1 65 GLN N . 65 . N 1 8
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 . . . . . 2.2 1.7 2.4 1 8
2 1 . . . . . 3.3 2.5 3.5 1 8
3 1 . . . . . 2.2 1.7 2.4 1 8
4 1 . . . . . 3.3 2.5 3.5 1 8
5 1 . . . . . 2.2 1.7 2.4 1 8
6 1 . . . . . 3.3 2.5 3.5 1 8
7 1 . . . . . 2.2 1.7 2.4 1 8
8 1 . . . . . 3.3 2.5 3.5 1 8
9 1 . . . . . 2.2 1.7 2.4 1 8
10 1 . . . . . 3.3 2.5 3.5 1 8
11 1 . . . . . 2.2 1.7 2.4 1 8
12 1 . . . . . 3.3 2.5 3.5 1 8
13 1 . . . . . 2.2 1.7 2.4 1 8
14 1 . . . . . 3.3 2.5 3.5 1 8
15 1 . . . . . 2.2 1.7 2.4 1 8
16 1 . . . . . 3.3 2.5 3.5 1 8
17 1 . . . . . 2.2 1.7 2.4 1 8
18 1 . . . . . 3.3 2.5 3.5 1 8
19 1 . . . . . 2.2 1.7 2.4 1 8
20 1 . . . . . 3.3 2.5 3.5 1 8
21 1 . . . . . 2.2 1.7 2.4 1 8
22 1 . . . . . 3.3 2.5 3.5 1 8
stop_
save_
save_CNS/XPLOR_dihedral_19
_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 21 PRO C 1 1 22 GLN N 1 1 22 GLN CA 1 1 22 GLN C -100.0 -20.0 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1
2 . 1 1 22 GLN C 1 1 23 VAL N 1 1 23 VAL CA 1 1 23 VAL C -100.0 -20.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
3 . 1 1 25 LEU C 1 1 26 SER N 1 1 26 SER CA 1 1 26 SER C -160.0 -80.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
4 . 1 1 25 LEU C 1 1 26 SER N 1 1 26 SER CA 1 1 26 SER C -160.0 -80.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
5 . 1 1 27 SER C 1 1 28 TRP N 1 1 28 TRP CA 1 1 28 TRP C -160.0 -80.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1
6 . 1 1 36 SER C 1 1 37 LYS N 1 1 37 LYS CA 1 1 37 LYS C -170.0 -70.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1
7 . 1 1 39 GLY C 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL C -170.0 -70.0 . 39 . C . 40 . N . 40 . CA . 40 . C 1 1
8 . 1 1 40 VAL C 1 1 41 ILE N 1 1 41 ILE CA 1 1 41 ILE C -170.0 -70.0 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1
9 . 1 1 41 ILE C 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE C -170.0 -70.0 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1
10 . 1 1 42 PHE C 1 1 43 LEU N 1 1 43 LEU CA 1 1 43 LEU C -170.0 -70.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 1
11 . 1 1 46 ARG C 1 1 47 GLY N 1 1 47 GLY CA 1 1 47 GLY C -100.0 -20.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1
12 . 1 1 47 GLY C 1 1 48 ARG N 1 1 48 ARG CA 1 1 48 ARG C -150.0 -89.99999 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1
13 . 1 1 48 ARG C 1 1 49 GLN N 1 1 49 GLN CA 1 1 49 GLN C -170.0 -70.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1
14 . 1 1 49 GLN C 1 1 50 VAL N 1 1 50 VAL CA 1 1 50 VAL C -170.0 -70.0 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1
15 . 1 1 51 CYS C 1 1 52 ALA N 1 1 52 ALA CA 1 1 52 ALA C -170.0 -70.0 . 51 . C . 52 . N . 52 . CA . 52 . C 1 1
16 . 1 1 53 ASP C 1 1 54 LYS N 1 1 54 LYS CA 1 1 54 LYS C -110.0 -10.0 . 53 . C . 54 . N . 54 . CA . 54 . C 1 1
17 . 1 1 56 LYS C 1 1 57 ASP N 1 1 57 ASP CA 1 1 57 ASP C -110.0 -10.0 . 56 . C . 57 . N . 57 . CA . 57 . C 1 1
18 . 1 1 57 ASP C 1 1 58 TRP N 1 1 58 TRP CA 1 1 58 TRP C -110.0 -10.0 . 57 . C . 58 . N . 58 . CA . 58 . C 1 1
19 . 1 1 59 VAL C 1 1 60 LYS N 1 1 60 LYS CA 1 1 60 LYS C -110.0 -10.0 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1
20 . 1 1 60 LYS C 1 1 61 LYS N 1 1 61 LYS CA 1 1 61 LYS C -110.0 -10.0 . 60 . C . 61 . N . 61 . CA . 61 . C 1 1
21 . 1 1 61 LYS C 1 1 62 LEU N 1 1 62 LEU CA 1 1 62 LEU C -110.0 -10.0 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1
22 . 1 1 62 LEU C 1 1 63 MET N 1 1 63 MET CA 1 1 63 MET C -110.0 -10.0 . 62 . C . 63 . N . 63 . CA . 63 . C 1 1
23 . 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS CB 1 1 11 CYS SG -100.0 -20.0 . 11 . N . 11 . CA . 11 . CB . 11 . SG 1 1
24 . 1 1 15 TYR N 1 1 15 TYR CA 1 1 15 TYR CB 1 1 15 TYR CG -100.0 -20.0 . 15 . N . 15 . CA . 15 . CB . 15 . CG 1 1
25 . 1 1 16 GLN N 1 1 16 GLN CA 1 1 16 GLN CB 1 1 16 GLN CG 140.0 220.0 . 16 . N . 16 . CA . 16 . CB . 16 . CG 1 1
26 . 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG -100.0 -20.0 . 20 . N . 20 . CA . 20 . CB . 20 . CG 1 1
27 . 1 1 22 GLN N 1 1 22 GLN CA 1 1 22 GLN CB 1 1 22 GLN CG 140.0 220.0 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1
28 . 1 1 23 VAL N 1 1 23 VAL CA 1 1 23 VAL CB 1 1 23 VAL CG1 20.0 100.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG1 1 1
29 . 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU CB 1 1 25 LEU CG 140.0 220.0 . 25 . N . 25 . CA . 25 . CB . 25 . CG 1 1
30 . 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS CB 1 1 35 CYS SG -100.0 -20.0 . 35 . N . 35 . CA . 35 . CB . 35 . SG 1 1
31 . 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL CB 1 1 40 VAL CG1 140.0 220.0 . 40 . N . 40 . CA . 40 . CB . 40 . CG1 1 1
32 . 1 1 41 ILE N 1 1 41 ILE CA 1 1 41 ILE CB 1 1 41 ILE CG1 -100.0 -20.0 . 41 . N . 41 . CA . 41 . CB . 41 . CG1 1 1
33 . 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE CB 1 1 42 PHE CG -100.0 -20.0 . 42 . N . 42 . CA . 42 . CB . 42 . CG 1 1
34 . 1 1 45 LYS N 1 1 45 LYS CA 1 1 45 LYS CB 1 1 45 LYS CG -100.0 -20.0 . 45 . N . 45 . CA . 45 . CB . 45 . CG 1 1
35 . 1 1 46 ARG N 1 1 46 ARG CA 1 1 46 ARG CB 1 1 46 ARG CG 140.0 220.0 . 46 . N . 46 . CA . 46 . CB . 46 . CG 1 1
36 . 1 1 48 ARG N 1 1 48 ARG CA 1 1 48 ARG CB 1 1 48 ARG CG -100.0 -20.0 . 48 . N . 48 . CA . 48 . CB . 48 . CG 1 1
37 . 1 1 49 GLN N 1 1 49 GLN CA 1 1 49 GLN CB 1 1 49 GLN CG -100.0 -20.0 . 49 . N . 49 . CA . 49 . CB . 49 . CG 1 1
38 . 1 1 50 VAL N 1 1 50 VAL CA 1 1 50 VAL CB 1 1 50 VAL CG1 140.0 220.0 . 50 . N . 50 . CA . 50 . CB . 50 . CG1 1 1
39 . 1 1 51 CYS N 1 1 51 CYS CA 1 1 51 CYS CB 1 1 51 CYS SG -100.0 -20.0 . 51 . N . 51 . CA . 51 . CB . 51 . SG 1 1
40 . 1 1 53 ASP N 1 1 53 ASP CA 1 1 53 ASP CB 1 1 53 ASP CG -100.0 -20.0 . 53 . N . 53 . CA . 53 . CB . 53 . CG 1 1
41 . 1 1 58 TRP N 1 1 58 TRP CA 1 1 58 TRP CB 1 1 58 TRP CG 20.0 100.0 . 58 . N . 58 . CA . 58 . CB . 58 . CG 1 1
42 . 1 1 59 VAL N 1 1 59 VAL CA 1 1 59 VAL CB 1 1 59 VAL CG1 140.0 220.0 . 59 . N . 59 . CA . 59 . CB . 59 . CG1 1 1
43 . 1 1 62 LEU N 1 1 62 LEU CA 1 1 62 LEU CB 1 1 62 LEU CG -100.0 -20.0 . 62 . N . 62 . CA . 62 . CB . 62 . CG 1 1
44 . 1 1 66 LEU N 1 1 66 LEU CA 1 1 66 LEU CB 1 1 66 LEU CG -100.0 -20.0 . 66 . N . 66 . CA . 66 . CB . 66 . CG 1 1
45 . 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG 1 1 20 LEU CD1 120.0 240.0 . 20 . CA . 20 . CB . 20 . CG . 20 . CD1 1 1
46 . 1 1 25 LEU CA 1 1 25 LEU CB 1 1 25 LEU CG 1 1 25 LEU CD1 0.0 120.0 . 25 . CA . 25 . CB . 25 . CG . 25 . CD1 1 1
47 . 1 1 62 LEU CA 1 1 62 LEU CB 1 1 62 LEU CG 1 1 62 LEU CD1 120.0 240.0 . 62 . CA . 62 . CB . 62 . CG . 62 . CD1 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 LEU C C 2.722 -20.990 -16.490 1.00 . A A . 1 LEU C 1 1
1 2 1 1 1 LEU CA C 3.243 -21.438 -15.128 1.00 . A A . 1 LEU CA 1 1
1 3 1 1 1 LEU CB C 4.533 -22.240 -15.312 1.00 . A A . 1 LEU CB 1 1
1 4 1 1 1 LEU CD1 C 5.957 -20.187 -15.237 1.00 . A A . 1 LEU CD1 1 1
1 5 1 1 1 LEU CD2 C 5.290 -21.323 -13.115 1.00 . A A . 1 LEU CD2 1 1
1 6 1 1 1 LEU CG C 5.679 -21.540 -14.579 1.00 . A A . 1 LEU CG 1 1
1 7 1 1 1 LEU H1 H 1.603 -22.721 -15.180 1.00 . A A . 1 LEU H1 1 1
1 8 1 1 1 LEU H2 H 2.694 -23.040 -13.916 1.00 . A A . 1 LEU H2 1 1
1 9 1 1 1 LEU H3 H 1.645 -21.707 -13.821 1.00 . A A . 1 LEU H3 1 1
1 10 1 1 1 LEU HA H 3.443 -20.571 -14.516 1.00 . A A . 1 LEU HA 1 1
1 11 1 1 1 LEU HB2 H 4.400 -23.233 -14.909 1.00 . A A . 1 LEU HB2 1 1
1 12 1 1 1 LEU HB3 H 4.769 -22.306 -16.364 1.00 . A A . 1 LEU HB3 1 1
1 13 1 1 1 LEU HD11 H 5.063 -19.579 -15.202 1.00 . A A . 1 LEU HD11 1 1
1 14 1 1 1 LEU HD12 H 6.756 -19.687 -14.706 1.00 . A A . 1 LEU HD12 1 1
1 15 1 1 1 LEU HD13 H 6.248 -20.341 -16.267 1.00 . A A . 1 LEU HD13 1 1
1 16 1 1 1 LEU HD21 H 4.223 -21.452 -13.002 1.00 . A A . 1 LEU HD21 1 1
1 17 1 1 1 LEU HD22 H 5.807 -22.041 -12.494 1.00 . A A . 1 LEU HD22 1 1
1 18 1 1 1 LEU HD23 H 5.565 -20.323 -12.814 1.00 . A A . 1 LEU HD23 1 1
1 19 1 1 1 LEU HG H 6.567 -22.154 -14.630 1.00 . A A . 1 LEU HG 1 1
1 20 1 1 1 LEU N N 2.219 -22.291 -14.461 1.00 . A A . 1 LEU N 1 1
1 21 1 1 1 LEU O O 1.519 -21.007 -16.747 1.00 . A A . 1 LEU O 1 1
1 22 1 1 2 GLY C C 2.738 -18.704 -18.650 1.00 . A A . 2 GLY C 1 1
1 23 1 1 2 GLY CA C 3.270 -20.132 -18.696 1.00 . A A . 2 GLY CA 1 1
1 24 1 1 2 GLY H H 4.589 -20.592 -17.099 1.00 . A A . 2 GLY H 1 1
1 25 1 1 2 GLY HA2 H 2.504 -20.781 -19.091 1.00 . A A . 2 GLY HA2 1 1
1 26 1 1 2 GLY HA3 H 4.137 -20.170 -19.340 1.00 . A A . 2 GLY HA3 1 1
1 27 1 1 2 GLY N N 3.644 -20.586 -17.359 1.00 . A A . 2 GLY N 1 1
1 28 1 1 2 GLY O O 1.530 -18.478 -18.585 1.00 . A A . 2 GLY O 1 1
1 29 1 1 3 ALA C C 2.564 -16.019 -17.326 1.00 . A A . 3 ALA C 1 1
1 30 1 1 3 ALA CA C 3.270 -16.334 -18.640 1.00 . A A . 3 ALA CA 1 1
1 31 1 1 3 ALA CB C 2.334 -15.999 -19.803 1.00 . A A . 3 ALA CB 1 1
1 32 1 1 3 ALA H H 4.605 -17.981 -18.732 1.00 . A A . 3 ALA H 1 1
1 33 1 1 3 ALA HA H 4.157 -15.723 -18.718 1.00 . A A . 3 ALA HA 1 1
1 34 1 1 3 ALA HB1 H 2.285 -16.840 -20.479 1.00 . A A . 3 ALA HB1 1 1
1 35 1 1 3 ALA HB2 H 2.709 -15.135 -20.330 1.00 . A A . 3 ALA HB2 1 1
1 36 1 1 3 ALA HB3 H 1.346 -15.788 -19.420 1.00 . A A . 3 ALA HB3 1 1
1 37 1 1 3 ALA N N 3.656 -17.742 -18.682 1.00 . A A . 3 ALA N 1 1
1 38 1 1 3 ALA O O 1.577 -15.284 -17.293 1.00 . A A . 3 ALA O 1 1
1 39 1 1 4 SER C C 2.419 -14.883 -14.605 1.00 . A A . 4 SER C 1 1
1 40 1 1 4 SER CA C 2.495 -16.373 -14.922 1.00 . A A . 4 SER CA 1 1
1 41 1 1 4 SER CB C 3.330 -17.067 -13.846 1.00 . A A . 4 SER CB 1 1
1 42 1 1 4 SER H H 3.867 -17.169 -16.331 1.00 . A A . 4 SER H 1 1
1 43 1 1 4 SER HA H 1.498 -16.786 -14.909 1.00 . A A . 4 SER HA 1 1
1 44 1 1 4 SER HB2 H 3.919 -17.850 -14.294 1.00 . A A . 4 SER HB2 1 1
1 45 1 1 4 SER HB3 H 3.989 -16.345 -13.382 1.00 . A A . 4 SER HB3 1 1
1 46 1 1 4 SER HG H 1.851 -16.949 -12.587 1.00 . A A . 4 SER HG 1 1
1 47 1 1 4 SER N N 3.081 -16.590 -16.242 1.00 . A A . 4 SER N 1 1
1 48 1 1 4 SER O O 1.585 -14.446 -13.813 1.00 . A A . 4 SER O 1 1
1 49 1 1 4 SER OG O 2.464 -17.632 -12.871 1.00 . A A . 4 SER OG 1 1
1 50 1 1 5 TRP C C 1.948 -12.061 -15.297 1.00 . A A . 5 TRP C 1 1
1 51 1 1 5 TRP CA C 3.321 -12.665 -15.001 1.00 . A A . 5 TRP CA 1 1
1 52 1 1 5 TRP CB C 4.394 -11.993 -15.874 1.00 . A A . 5 TRP CB 1 1
1 53 1 1 5 TRP CD1 C 3.767 -12.524 -18.270 1.00 . A A . 5 TRP CD1 1 1
1 54 1 1 5 TRP CD2 C 3.292 -10.401 -17.700 1.00 . A A . 5 TRP CD2 1 1
1 55 1 1 5 TRP CE2 C 2.894 -10.557 -19.049 1.00 . A A . 5 TRP CE2 1 1
1 56 1 1 5 TRP CE3 C 3.100 -9.146 -17.094 1.00 . A A . 5 TRP CE3 1 1
1 57 1 1 5 TRP CG C 3.843 -11.664 -17.229 1.00 . A A . 5 TRP CG 1 1
1 58 1 1 5 TRP CH2 C 2.143 -8.266 -19.152 1.00 . A A . 5 TRP CH2 1 1
1 59 1 1 5 TRP CZ2 C 2.327 -9.506 -19.770 1.00 . A A . 5 TRP CZ2 1 1
1 60 1 1 5 TRP CZ3 C 2.530 -8.086 -17.816 1.00 . A A . 5 TRP CZ3 1 1
1 61 1 1 5 TRP H H 3.944 -14.507 -15.851 1.00 . A A . 5 TRP H 1 1
1 62 1 1 5 TRP HA H 3.559 -12.485 -13.962 1.00 . A A . 5 TRP HA 1 1
1 63 1 1 5 TRP HB2 H 4.725 -11.084 -15.396 1.00 . A A . 5 TRP HB2 1 1
1 64 1 1 5 TRP HB3 H 5.234 -12.663 -15.984 1.00 . A A . 5 TRP HB3 1 1
1 65 1 1 5 TRP HD1 H 4.093 -13.554 -18.260 1.00 . A A . 5 TRP HD1 1 1
1 66 1 1 5 TRP HE1 H 3.038 -12.268 -20.231 1.00 . A A . 5 TRP HE1 1 1
1 67 1 1 5 TRP HE3 H 3.394 -8.997 -16.065 1.00 . A A . 5 TRP HE3 1 1
1 68 1 1 5 TRP HH2 H 1.705 -7.447 -19.703 1.00 . A A . 5 TRP HH2 1 1
1 69 1 1 5 TRP HZ2 H 2.031 -9.649 -20.799 1.00 . A A . 5 TRP HZ2 1 1
1 70 1 1 5 TRP HZ3 H 2.387 -7.127 -17.341 1.00 . A A . 5 TRP HZ3 1 1
1 71 1 1 5 TRP N N 3.300 -14.106 -15.230 1.00 . A A . 5 TRP N 1 1
1 72 1 1 5 TRP NE1 N 3.204 -11.868 -19.351 1.00 . A A . 5 TRP NE1 1 1
1 73 1 1 5 TRP O O 1.573 -11.028 -14.740 1.00 . A A . 5 TRP O 1 1
1 74 1 1 6 HIS C C -1.030 -12.191 -15.322 1.00 . A A . 6 HIS C 1 1
1 75 1 1 6 HIS CA C -0.127 -12.249 -16.550 1.00 . A A . 6 HIS CA 1 1
1 76 1 1 6 HIS CB C -0.757 -13.180 -17.587 1.00 . A A . 6 HIS CB 1 1
1 77 1 1 6 HIS CD2 C 0.811 -13.007 -19.689 1.00 . A A . 6 HIS CD2 1 1
1 78 1 1 6 HIS CE1 C -0.467 -11.778 -20.935 1.00 . A A . 6 HIS CE1 1 1
1 79 1 1 6 HIS CG C -0.330 -12.759 -18.966 1.00 . A A . 6 HIS CG 1 1
1 80 1 1 6 HIS H H 1.557 -13.539 -16.591 1.00 . A A . 6 HIS H 1 1
1 81 1 1 6 HIS HA H -0.044 -11.259 -16.973 1.00 . A A . 6 HIS HA 1 1
1 82 1 1 6 HIS HB2 H -0.434 -14.194 -17.404 1.00 . A A . 6 HIS HB2 1 1
1 83 1 1 6 HIS HB3 H -1.833 -13.126 -17.512 1.00 . A A . 6 HIS HB3 1 1
1 84 1 1 6 HIS HD1 H -2.019 -11.624 -19.556 1.00 . A A . 6 HIS HD1 1 1
1 85 1 1 6 HIS HD2 H 1.650 -13.594 -19.345 1.00 . A A . 6 HIS HD2 1 1
1 86 1 1 6 HIS HE1 H -0.850 -11.201 -21.763 1.00 . A A . 6 HIS HE1 1 1
1 87 1 1 6 HIS N N 1.205 -12.721 -16.181 1.00 . A A . 6 HIS N 1 1
1 88 1 1 6 HIS ND1 N -1.131 -11.974 -19.780 1.00 . A A . 6 HIS ND1 1 1
1 89 1 1 6 HIS NE2 N 0.722 -12.387 -20.932 1.00 . A A . 6 HIS NE2 1 1
1 90 1 1 6 HIS O O -2.090 -11.566 -15.342 1.00 . A A . 6 HIS O 1 1
1 91 1 1 7 ARG C C -0.772 -11.910 -11.995 1.00 . A A . 7 ARG C 1 1
1 92 1 1 7 ARG CA C -1.372 -12.875 -13.015 1.00 . A A . 7 ARG CA 1 1
1 93 1 1 7 ARG CB C -1.385 -14.283 -12.418 1.00 . A A . 7 ARG CB 1 1
1 94 1 1 7 ARG CD C -1.323 -14.914 -10.001 1.00 . A A . 7 ARG CD 1 1
1 95 1 1 7 ARG CG C -2.167 -14.273 -11.103 1.00 . A A . 7 ARG CG 1 1
1 96 1 1 7 ARG CZ C -2.741 -16.697 -9.156 1.00 . A A . 7 ARG CZ 1 1
1 97 1 1 7 ARG H H 0.256 -13.335 -14.295 1.00 . A A . 7 ARG H 1 1
1 98 1 1 7 ARG HA H -2.387 -12.579 -13.231 1.00 . A A . 7 ARG HA 1 1
1 99 1 1 7 ARG HB2 H -1.855 -14.965 -13.113 1.00 . A A . 7 ARG HB2 1 1
1 100 1 1 7 ARG HB3 H -0.371 -14.603 -12.228 1.00 . A A . 7 ARG HB3 1 1
1 101 1 1 7 ARG HD2 H -0.278 -14.829 -10.258 1.00 . A A . 7 ARG HD2 1 1
1 102 1 1 7 ARG HD3 H -1.502 -14.395 -9.070 1.00 . A A . 7 ARG HD3 1 1
1 103 1 1 7 ARG HE H -1.092 -17.008 -10.251 1.00 . A A . 7 ARG HE 1 1
1 104 1 1 7 ARG HG2 H -2.402 -13.254 -10.832 1.00 . A A . 7 ARG HG2 1 1
1 105 1 1 7 ARG HG3 H -3.082 -14.833 -11.224 1.00 . A A . 7 ARG HG3 1 1
1 106 1 1 7 ARG HH11 H -3.290 -14.825 -8.708 1.00 . A A . 7 ARG HH11 1 1
1 107 1 1 7 ARG HH12 H -4.319 -16.075 -8.093 1.00 . A A . 7 ARG HH12 1 1
1 108 1 1 7 ARG HH21 H -2.438 -18.654 -9.447 1.00 . A A . 7 ARG HH21 1 1
1 109 1 1 7 ARG HH22 H -3.836 -18.243 -8.511 1.00 . A A . 7 ARG HH22 1 1
1 110 1 1 7 ARG N N -0.597 -12.853 -14.253 1.00 . A A . 7 ARG N 1 1
1 111 1 1 7 ARG NE N -1.665 -16.325 -9.844 1.00 . A A . 7 ARG NE 1 1
1 112 1 1 7 ARG NH1 N -3.510 -15.795 -8.610 1.00 . A A . 7 ARG NH1 1 1
1 113 1 1 7 ARG NH2 N -3.027 -17.964 -9.028 1.00 . A A . 7 ARG NH2 1 1
1 114 1 1 7 ARG O O 0.256 -12.198 -11.382 1.00 . A A . 7 ARG O 1 1
1 115 1 1 8 PRO C C -1.344 -10.053 -9.413 1.00 . A A . 8 PRO C 1 1
1 116 1 1 8 PRO CA C -0.936 -9.740 -10.850 1.00 . A A . 8 PRO CA 1 1
1 117 1 1 8 PRO CB C -1.631 -8.480 -11.349 1.00 . A A . 8 PRO CB 1 1
1 118 1 1 8 PRO CD C -2.643 -10.392 -12.528 1.00 . A A . 8 PRO CD 1 1
1 119 1 1 8 PRO CG C -2.864 -8.929 -12.127 1.00 . A A . 8 PRO CG 1 1
1 120 1 1 8 PRO HA H 0.131 -9.617 -10.924 1.00 . A A . 8 PRO HA 1 1
1 121 1 1 8 PRO HB2 H -1.925 -7.865 -10.509 1.00 . A A . 8 PRO HB2 1 1
1 122 1 1 8 PRO HB3 H -0.972 -7.927 -12.000 1.00 . A A . 8 PRO HB3 1 1
1 123 1 1 8 PRO HD2 H -3.475 -11.004 -12.205 1.00 . A A . 8 PRO HD2 1 1
1 124 1 1 8 PRO HD3 H -2.493 -10.478 -13.592 1.00 . A A . 8 PRO HD3 1 1
1 125 1 1 8 PRO HG2 H -3.742 -8.844 -11.502 1.00 . A A . 8 PRO HG2 1 1
1 126 1 1 8 PRO HG3 H -2.981 -8.324 -13.012 1.00 . A A . 8 PRO HG3 1 1
1 127 1 1 8 PRO N N -1.410 -10.756 -11.805 1.00 . A A . 8 PRO N 1 1
1 128 1 1 8 PRO O O -2.363 -9.567 -8.921 1.00 . A A . 8 PRO O 1 1
1 129 1 1 9 ASP C C -0.698 -10.038 -6.447 1.00 . A A . 9 ASP C 1 1
1 130 1 1 9 ASP CA C -0.819 -11.250 -7.365 1.00 . A A . 9 ASP CA 1 1
1 131 1 1 9 ASP CB C 0.156 -12.331 -6.894 1.00 . A A . 9 ASP CB 1 1
1 132 1 1 9 ASP CG C -0.624 -13.572 -6.473 1.00 . A A . 9 ASP CG 1 1
1 133 1 1 9 ASP H H 0.261 -11.231 -9.191 1.00 . A A . 9 ASP H 1 1
1 134 1 1 9 ASP HA H -1.825 -11.637 -7.305 1.00 . A A . 9 ASP HA 1 1
1 135 1 1 9 ASP HB2 H 0.829 -12.585 -7.701 1.00 . A A . 9 ASP HB2 1 1
1 136 1 1 9 ASP HB3 H 0.724 -11.963 -6.054 1.00 . A A . 9 ASP HB3 1 1
1 137 1 1 9 ASP N N -0.536 -10.873 -8.747 1.00 . A A . 9 ASP N 1 1
1 138 1 1 9 ASP O O 0.129 -10.011 -5.536 1.00 . A A . 9 ASP O 1 1
1 139 1 1 9 ASP OD1 O -1.761 -13.704 -6.893 1.00 . A A . 9 ASP OD1 1 1
1 140 1 1 9 ASP OD2 O -0.072 -14.372 -5.735 1.00 . A A . 9 ASP OD2 1 1
1 141 1 1 10 LYS C C -2.250 -8.046 -4.570 1.00 . A A . 10 LYS C 1 1
1 142 1 1 10 LYS CA C -1.515 -7.821 -5.889 1.00 . A A . 10 LYS CA 1 1
1 143 1 1 10 LYS CB C -2.178 -6.665 -6.641 1.00 . A A . 10 LYS CB 1 1
1 144 1 1 10 LYS CD C -1.811 -5.362 -8.741 1.00 . A A . 10 LYS CD 1 1
1 145 1 1 10 LYS CE C -0.932 -5.369 -9.994 1.00 . A A . 10 LYS CE 1 1
1 146 1 1 10 LYS CG C -1.839 -6.763 -8.130 1.00 . A A . 10 LYS CG 1 1
1 147 1 1 10 LYS H H -2.172 -9.112 -7.438 1.00 . A A . 10 LYS H 1 1
1 148 1 1 10 LYS HA H -0.490 -7.557 -5.678 1.00 . A A . 10 LYS HA 1 1
1 149 1 1 10 LYS HB2 H -3.249 -6.717 -6.510 1.00 . A A . 10 LYS HB2 1 1
1 150 1 1 10 LYS HB3 H -1.813 -5.726 -6.252 1.00 . A A . 10 LYS HB3 1 1
1 151 1 1 10 LYS HD2 H -2.815 -5.065 -9.007 1.00 . A A . 10 LYS HD2 1 1
1 152 1 1 10 LYS HD3 H -1.406 -4.664 -8.024 1.00 . A A . 10 LYS HD3 1 1
1 153 1 1 10 LYS HE2 H -0.036 -5.941 -9.802 1.00 . A A . 10 LYS HE2 1 1
1 154 1 1 10 LYS HE3 H -1.476 -5.815 -10.813 1.00 . A A . 10 LYS HE3 1 1
1 155 1 1 10 LYS HG2 H -0.871 -7.229 -8.248 1.00 . A A . 10 LYS HG2 1 1
1 156 1 1 10 LYS HG3 H -2.588 -7.358 -8.631 1.00 . A A . 10 LYS HG3 1 1
1 157 1 1 10 LYS HZ1 H -0.064 -3.529 -9.547 1.00 . A A . 10 LYS HZ1 1 1
1 158 1 1 10 LYS HZ2 H 0.062 -3.977 -11.182 1.00 . A A . 10 LYS HZ2 1 1
1 159 1 1 10 LYS HZ3 H -1.420 -3.425 -10.561 1.00 . A A . 10 LYS HZ3 1 1
1 160 1 1 10 LYS N N -1.534 -9.035 -6.699 1.00 . A A . 10 LYS N 1 1
1 161 1 1 10 LYS NZ N -0.560 -3.969 -10.347 1.00 . A A . 10 LYS NZ 1 1
1 162 1 1 10 LYS O O -2.200 -7.211 -3.666 1.00 . A A . 10 LYS O 1 1
1 163 1 1 11 CYS C C -2.706 -9.939 -2.149 1.00 . A A . 11 CYS C 1 1
1 164 1 1 11 CYS CA C -3.671 -9.511 -3.251 1.00 . A A . 11 CYS CA 1 1
1 165 1 1 11 CYS CB C -4.668 -10.643 -3.511 1.00 . A A . 11 CYS CB 1 1
1 166 1 1 11 CYS H H -2.936 -9.815 -5.217 1.00 . A A . 11 CYS H 1 1
1 167 1 1 11 CYS HA H -4.212 -8.636 -2.923 1.00 . A A . 11 CYS HA 1 1
1 168 1 1 11 CYS HB2 H -4.163 -11.593 -3.428 1.00 . A A . 11 CYS HB2 1 1
1 169 1 1 11 CYS HB3 H -5.465 -10.594 -2.783 1.00 . A A . 11 CYS HB3 1 1
1 170 1 1 11 CYS N N -2.932 -9.185 -4.468 1.00 . A A . 11 CYS N 1 1
1 171 1 1 11 CYS O O -2.802 -11.042 -1.611 1.00 . A A . 11 CYS O 1 1
1 172 1 1 11 CYS SG S -5.361 -10.470 -5.175 1.00 . A A . 11 CYS SG 1 1
1 173 1 1 12 CYS C C -1.406 -10.105 0.364 1.00 . A A . 12 CYS C 1 1
1 174 1 1 12 CYS CA C -0.781 -9.332 -0.792 1.00 . A A . 12 CYS CA 1 1
1 175 1 1 12 CYS CB C -0.196 -8.027 -0.247 1.00 . A A . 12 CYS CB 1 1
1 176 1 1 12 CYS H H -1.746 -8.189 -2.294 1.00 . A A . 12 CYS H 1 1
1 177 1 1 12 CYS HA H 0.017 -9.920 -1.219 1.00 . A A . 12 CYS HA 1 1
1 178 1 1 12 CYS HB2 H -0.930 -7.240 -0.336 1.00 . A A . 12 CYS HB2 1 1
1 179 1 1 12 CYS HB3 H 0.066 -8.158 0.792 1.00 . A A . 12 CYS HB3 1 1
1 180 1 1 12 CYS N N -1.772 -9.050 -1.826 1.00 . A A . 12 CYS N 1 1
1 181 1 1 12 CYS O O -2.339 -9.632 1.013 1.00 . A A . 12 CYS O 1 1
1 182 1 1 12 CYS SG S 1.282 -7.583 -1.191 1.00 . A A . 12 CYS SG 1 1
1 183 1 1 13 LEU C C -1.154 -11.393 3.043 1.00 . A A . 13 LEU C 1 1
1 184 1 1 13 LEU CA C -1.378 -12.117 1.721 1.00 . A A . 13 LEU CA 1 1
1 185 1 1 13 LEU CB C -0.660 -13.467 1.760 1.00 . A A . 13 LEU CB 1 1
1 186 1 1 13 LEU CD1 C 0.449 -15.199 0.341 1.00 . A A . 13 LEU CD1 1 1
1 187 1 1 13 LEU CD2 C -2.038 -15.178 0.571 1.00 . A A . 13 LEU CD2 1 1
1 188 1 1 13 LEU CG C -0.784 -14.305 0.486 1.00 . A A . 13 LEU CG 1 1
1 189 1 1 13 LEU H H -0.122 -11.619 0.084 1.00 . A A . 13 LEU H 1 1
1 190 1 1 13 LEU HA H -2.435 -12.282 1.581 1.00 . A A . 13 LEU HA 1 1
1 191 1 1 13 LEU HB2 H 0.387 -13.289 1.944 1.00 . A A . 13 LEU HB2 1 1
1 192 1 1 13 LEU HB3 H -1.058 -14.037 2.588 1.00 . A A . 13 LEU HB3 1 1
1 193 1 1 13 LEU HD11 H 1.292 -14.731 0.828 1.00 . A A . 13 LEU HD11 1 1
1 194 1 1 13 LEU HD12 H 0.255 -16.157 0.800 1.00 . A A . 13 LEU HD12 1 1
1 195 1 1 13 LEU HD13 H 0.670 -15.340 -0.706 1.00 . A A . 13 LEU HD13 1 1
1 196 1 1 13 LEU HD21 H -2.402 -15.186 1.588 1.00 . A A . 13 LEU HD21 1 1
1 197 1 1 13 LEU HD22 H -2.800 -14.778 -0.081 1.00 . A A . 13 LEU HD22 1 1
1 198 1 1 13 LEU HD23 H -1.797 -16.186 0.267 1.00 . A A . 13 LEU HD23 1 1
1 199 1 1 13 LEU HG H -0.856 -13.650 -0.370 1.00 . A A . 13 LEU HG 1 1
1 200 1 1 13 LEU N N -0.872 -11.295 0.626 1.00 . A A . 13 LEU N 1 1
1 201 1 1 13 LEU O O -1.985 -11.444 3.950 1.00 . A A . 13 LEU O 1 1
1 202 1 1 14 GLY C C 0.411 -8.464 3.997 1.00 . A A . 14 GLY C 1 1
1 203 1 1 14 GLY CA C 0.323 -9.949 4.328 1.00 . A A . 14 GLY CA 1 1
1 204 1 1 14 GLY H H 0.594 -10.698 2.364 1.00 . A A . 14 GLY H 1 1
1 205 1 1 14 GLY HA2 H 1.276 -10.285 4.704 1.00 . A A . 14 GLY HA2 1 1
1 206 1 1 14 GLY HA3 H -0.438 -10.106 5.080 1.00 . A A . 14 GLY HA3 1 1
1 207 1 1 14 GLY N N -0.020 -10.705 3.128 1.00 . A A . 14 GLY N 1 1
1 208 1 1 14 GLY O O 0.550 -8.083 2.835 1.00 . A A . 14 GLY O 1 1
1 209 1 1 15 TYR C C 1.589 -5.578 5.526 1.00 . A A . 15 TYR C 1 1
1 210 1 1 15 TYR CA C 0.388 -6.183 4.809 1.00 . A A . 15 TYR CA 1 1
1 211 1 1 15 TYR CB C -0.889 -5.511 5.312 1.00 . A A . 15 TYR CB 1 1
1 212 1 1 15 TYR CD1 C -2.449 -5.528 3.334 1.00 . A A . 15 TYR CD1 1 1
1 213 1 1 15 TYR CD2 C -2.797 -7.146 5.105 1.00 . A A . 15 TYR CD2 1 1
1 214 1 1 15 TYR CE1 C -3.545 -6.050 2.640 1.00 . A A . 15 TYR CE1 1 1
1 215 1 1 15 TYR CE2 C -3.894 -7.669 4.411 1.00 . A A . 15 TYR CE2 1 1
1 216 1 1 15 TYR CG C -2.074 -6.075 4.566 1.00 . A A . 15 TYR CG 1 1
1 217 1 1 15 TYR CZ C -4.268 -7.122 3.178 1.00 . A A . 15 TYR CZ 1 1
1 218 1 1 15 TYR H H 0.208 -7.977 5.930 1.00 . A A . 15 TYR H 1 1
1 219 1 1 15 TYR HA H 0.484 -5.993 3.750 1.00 . A A . 15 TYR HA 1 1
1 220 1 1 15 TYR HB2 H -1.002 -5.698 6.369 1.00 . A A . 15 TYR HB2 1 1
1 221 1 1 15 TYR HB3 H -0.829 -4.447 5.139 1.00 . A A . 15 TYR HB3 1 1
1 222 1 1 15 TYR HD1 H -1.891 -4.703 2.918 1.00 . A A . 15 TYR HD1 1 1
1 223 1 1 15 TYR HD2 H -2.508 -7.568 6.057 1.00 . A A . 15 TYR HD2 1 1
1 224 1 1 15 TYR HE1 H -3.834 -5.626 1.690 1.00 . A A . 15 TYR HE1 1 1
1 225 1 1 15 TYR HE2 H -4.452 -8.496 4.826 1.00 . A A . 15 TYR HE2 1 1
1 226 1 1 15 TYR HH H -5.876 -6.901 2.172 1.00 . A A . 15 TYR HH 1 1
1 227 1 1 15 TYR N N 0.323 -7.625 5.023 1.00 . A A . 15 TYR N 1 1
1 228 1 1 15 TYR O O 2.217 -6.216 6.371 1.00 . A A . 15 TYR O 1 1
1 229 1 1 15 TYR OH O -5.350 -7.637 2.493 1.00 . A A . 15 TYR OH 1 1
1 230 1 1 16 GLN C C 3.161 -3.989 7.248 1.00 . A A . 16 GLN C 1 1
1 231 1 1 16 GLN CA C 3.028 -3.632 5.773 1.00 . A A . 16 GLN CA 1 1
1 232 1 1 16 GLN CB C 2.844 -2.118 5.646 1.00 . A A . 16 GLN CB 1 1
1 233 1 1 16 GLN CD C 5.261 -2.002 5.036 1.00 . A A . 16 GLN CD 1 1
1 234 1 1 16 GLN CG C 4.173 -1.415 5.929 1.00 . A A . 16 GLN CG 1 1
1 235 1 1 16 GLN H H 1.358 -3.883 4.489 1.00 . A A . 16 GLN H 1 1
1 236 1 1 16 GLN HA H 3.931 -3.917 5.261 1.00 . A A . 16 GLN HA 1 1
1 237 1 1 16 GLN HB2 H 2.515 -1.878 4.645 1.00 . A A . 16 GLN HB2 1 1
1 238 1 1 16 GLN HB3 H 2.105 -1.784 6.358 1.00 . A A . 16 GLN HB3 1 1
1 239 1 1 16 GLN HE21 H 6.432 -2.512 6.557 1.00 . A A . 16 GLN HE21 1 1
1 240 1 1 16 GLN HE22 H 7.037 -2.890 5.016 1.00 . A A . 16 GLN HE22 1 1
1 241 1 1 16 GLN HG2 H 4.072 -0.359 5.727 1.00 . A A . 16 GLN HG2 1 1
1 242 1 1 16 GLN HG3 H 4.443 -1.560 6.965 1.00 . A A . 16 GLN HG3 1 1
1 243 1 1 16 GLN N N 1.898 -4.335 5.171 1.00 . A A . 16 GLN N 1 1
1 244 1 1 16 GLN NE2 N 6.332 -2.510 5.582 1.00 . A A . 16 GLN NE2 1 1
1 245 1 1 16 GLN O O 4.228 -4.398 7.709 1.00 . A A . 16 GLN O 1 1
1 246 1 1 16 GLN OE1 O 5.136 -2.000 3.812 1.00 . A A . 16 GLN OE1 1 1
1 247 1 1 17 LYS C C 2.505 -2.894 10.211 1.00 . A A . 17 LYS C 1 1
1 248 1 1 17 LYS CA C 2.051 -4.113 9.414 1.00 . A A . 17 LYS CA 1 1
1 249 1 1 17 LYS CB C 2.969 -5.293 9.737 1.00 . A A . 17 LYS CB 1 1
1 250 1 1 17 LYS CD C 3.426 -7.108 11.393 1.00 . A A . 17 LYS CD 1 1
1 251 1 1 17 LYS CE C 2.706 -8.411 11.745 1.00 . A A . 17 LYS CE 1 1
1 252 1 1 17 LYS CG C 2.404 -6.068 10.929 1.00 . A A . 17 LYS CG 1 1
1 253 1 1 17 LYS H H 1.252 -3.482 7.551 1.00 . A A . 17 LYS H 1 1
1 254 1 1 17 LYS HA H 1.043 -4.366 9.707 1.00 . A A . 17 LYS HA 1 1
1 255 1 1 17 LYS HB2 H 3.032 -5.946 8.878 1.00 . A A . 17 LYS HB2 1 1
1 256 1 1 17 LYS HB3 H 3.954 -4.926 9.983 1.00 . A A . 17 LYS HB3 1 1
1 257 1 1 17 LYS HD2 H 4.138 -7.292 10.600 1.00 . A A . 17 LYS HD2 1 1
1 258 1 1 17 LYS HD3 H 3.945 -6.739 12.265 1.00 . A A . 17 LYS HD3 1 1
1 259 1 1 17 LYS HE2 H 2.381 -8.376 12.774 1.00 . A A . 17 LYS HE2 1 1
1 260 1 1 17 LYS HE3 H 1.847 -8.532 11.101 1.00 . A A . 17 LYS HE3 1 1
1 261 1 1 17 LYS HG2 H 2.195 -5.382 11.737 1.00 . A A . 17 LYS HG2 1 1
1 262 1 1 17 LYS HG3 H 1.494 -6.568 10.635 1.00 . A A . 17 LYS HG3 1 1
1 263 1 1 17 LYS HZ1 H 4.159 -9.439 10.665 1.00 . A A . 17 LYS HZ1 1 1
1 264 1 1 17 LYS HZ2 H 4.306 -9.597 12.351 1.00 . A A . 17 LYS HZ2 1 1
1 265 1 1 17 LYS HZ3 H 3.091 -10.444 11.517 1.00 . A A . 17 LYS HZ3 1 1
1 266 1 1 17 LYS N N 2.065 -3.818 7.981 1.00 . A A . 17 LYS N 1 1
1 267 1 1 17 LYS NZ N 3.636 -9.560 11.555 1.00 . A A . 17 LYS NZ 1 1
1 268 1 1 17 LYS O O 2.284 -2.805 11.419 1.00 . A A . 17 LYS O 1 1
1 269 1 1 18 ARG C C 3.118 0.492 9.407 1.00 . A A . 18 ARG C 1 1
1 270 1 1 18 ARG CA C 3.620 -0.733 10.163 1.00 . A A . 18 ARG CA 1 1
1 271 1 1 18 ARG CB C 5.149 -0.706 10.197 1.00 . A A . 18 ARG CB 1 1
1 272 1 1 18 ARG CD C 7.194 -2.139 10.112 1.00 . A A . 18 ARG CD 1 1
1 273 1 1 18 ARG CG C 5.684 -2.131 10.357 1.00 . A A . 18 ARG CG 1 1
1 274 1 1 18 ARG CZ C 9.197 -2.424 11.459 1.00 . A A . 18 ARG CZ 1 1
1 275 1 1 18 ARG H H 3.284 -2.074 8.557 1.00 . A A . 18 ARG H 1 1
1 276 1 1 18 ARG HA H 3.246 -0.700 11.176 1.00 . A A . 18 ARG HA 1 1
1 277 1 1 18 ARG HB2 H 5.521 -0.283 9.275 1.00 . A A . 18 ARG HB2 1 1
1 278 1 1 18 ARG HB3 H 5.481 -0.104 11.029 1.00 . A A . 18 ARG HB3 1 1
1 279 1 1 18 ARG HD2 H 7.413 -2.755 9.254 1.00 . A A . 18 ARG HD2 1 1
1 280 1 1 18 ARG HD3 H 7.528 -1.129 9.918 1.00 . A A . 18 ARG HD3 1 1
1 281 1 1 18 ARG HE H 7.416 -3.213 11.929 1.00 . A A . 18 ARG HE 1 1
1 282 1 1 18 ARG HG2 H 5.479 -2.481 11.358 1.00 . A A . 18 ARG HG2 1 1
1 283 1 1 18 ARG HG3 H 5.202 -2.779 9.642 1.00 . A A . 18 ARG HG3 1 1
1 284 1 1 18 ARG HH11 H 9.385 -1.330 9.792 1.00 . A A . 18 ARG HH11 1 1
1 285 1 1 18 ARG HH12 H 10.827 -1.517 10.732 1.00 . A A . 18 ARG HH12 1 1
1 286 1 1 18 ARG HH21 H 9.307 -3.462 13.167 1.00 . A A . 18 ARG HH21 1 1
1 287 1 1 18 ARG HH22 H 10.783 -2.724 12.643 1.00 . A A . 18 ARG HH22 1 1
1 288 1 1 18 ARG N N 3.140 -1.951 9.518 1.00 . A A . 18 ARG N 1 1
1 289 1 1 18 ARG NE N 7.902 -2.668 11.275 1.00 . A A . 18 ARG NE 1 1
1 290 1 1 18 ARG NH1 N 9.854 -1.701 10.594 1.00 . A A . 18 ARG NH1 1 1
1 291 1 1 18 ARG NH2 N 9.810 -2.908 12.504 1.00 . A A . 18 ARG NH2 1 1
1 292 1 1 18 ARG O O 2.950 0.461 8.188 1.00 . A A . 18 ARG O 1 1
1 293 1 1 19 PRO C C 3.497 3.681 8.928 1.00 . A A . 19 PRO C 1 1
1 294 1 1 19 PRO CA C 2.380 2.833 9.533 1.00 . A A . 19 PRO CA 1 1
1 295 1 1 19 PRO CB C 1.753 3.532 10.732 1.00 . A A . 19 PRO CB 1 1
1 296 1 1 19 PRO CD C 3.067 1.629 11.590 1.00 . A A . 19 PRO CD 1 1
1 297 1 1 19 PRO CG C 2.419 2.962 11.981 1.00 . A A . 19 PRO CG 1 1
1 298 1 1 19 PRO HA H 1.622 2.630 8.799 1.00 . A A . 19 PRO HA 1 1
1 299 1 1 19 PRO HB2 H 1.929 4.597 10.670 1.00 . A A . 19 PRO HB2 1 1
1 300 1 1 19 PRO HB3 H 0.693 3.333 10.763 1.00 . A A . 19 PRO HB3 1 1
1 301 1 1 19 PRO HD2 H 4.120 1.631 11.838 1.00 . A A . 19 PRO HD2 1 1
1 302 1 1 19 PRO HD3 H 2.561 0.803 12.063 1.00 . A A . 19 PRO HD3 1 1
1 303 1 1 19 PRO HG2 H 3.172 3.649 12.341 1.00 . A A . 19 PRO HG2 1 1
1 304 1 1 19 PRO HG3 H 1.678 2.792 12.747 1.00 . A A . 19 PRO HG3 1 1
1 305 1 1 19 PRO N N 2.872 1.580 10.130 1.00 . A A . 19 PRO N 1 1
1 306 1 1 19 PRO O O 4.388 4.157 9.632 1.00 . A A . 19 PRO O 1 1
1 307 1 1 20 LEU C C 3.992 6.116 6.820 1.00 . A A . 20 LEU C 1 1
1 308 1 1 20 LEU CA C 4.438 4.660 6.912 1.00 . A A . 20 LEU CA 1 1
1 309 1 1 20 LEU CB C 4.661 4.120 5.498 1.00 . A A . 20 LEU CB 1 1
1 310 1 1 20 LEU CD1 C 4.423 2.295 3.808 1.00 . A A . 20 LEU CD1 1 1
1 311 1 1 20 LEU CD2 C 5.028 1.741 6.166 1.00 . A A . 20 LEU CD2 1 1
1 312 1 1 20 LEU CG C 4.209 2.676 5.273 1.00 . A A . 20 LEU CG 1 1
1 313 1 1 20 LEU H H 2.696 3.463 7.104 1.00 . A A . 20 LEU H 1 1
1 314 1 1 20 LEU HA H 5.368 4.610 7.457 1.00 . A A . 20 LEU HA 1 1
1 315 1 1 20 LEU HB2 H 4.126 4.750 4.806 1.00 . A A . 20 LEU HB2 1 1
1 316 1 1 20 LEU HB3 H 5.717 4.190 5.273 1.00 . A A . 20 LEU HB3 1 1
1 317 1 1 20 LEU HD11 H 4.933 3.099 3.298 1.00 . A A . 20 LEU HD11 1 1
1 318 1 1 20 LEU HD12 H 5.021 1.397 3.752 1.00 . A A . 20 LEU HD12 1 1
1 319 1 1 20 LEU HD13 H 3.467 2.120 3.337 1.00 . A A . 20 LEU HD13 1 1
1 320 1 1 20 LEU HD21 H 5.844 2.292 6.611 1.00 . A A . 20 LEU HD21 1 1
1 321 1 1 20 LEU HD22 H 4.396 1.343 6.945 1.00 . A A . 20 LEU HD22 1 1
1 322 1 1 20 LEU HD23 H 5.423 0.931 5.572 1.00 . A A . 20 LEU HD23 1 1
1 323 1 1 20 LEU HG H 3.161 2.584 5.519 1.00 . A A . 20 LEU HG 1 1
1 324 1 1 20 LEU N N 3.432 3.866 7.612 1.00 . A A . 20 LEU N 1 1
1 325 1 1 20 LEU O O 2.800 6.419 6.856 1.00 . A A . 20 LEU O 1 1
1 326 1 1 21 PRO C C 4.306 8.899 5.181 1.00 . A A . 21 PRO C 1 1
1 327 1 1 21 PRO CA C 4.674 8.469 6.599 1.00 . A A . 21 PRO CA 1 1
1 328 1 1 21 PRO CB C 6.004 9.082 7.021 1.00 . A A . 21 PRO CB 1 1
1 329 1 1 21 PRO CD C 6.385 6.673 6.655 1.00 . A A . 21 PRO CD 1 1
1 330 1 1 21 PRO CG C 7.082 8.035 6.756 1.00 . A A . 21 PRO CG 1 1
1 331 1 1 21 PRO HA H 3.906 8.758 7.296 1.00 . A A . 21 PRO HA 1 1
1 332 1 1 21 PRO HB2 H 6.199 9.973 6.439 1.00 . A A . 21 PRO HB2 1 1
1 333 1 1 21 PRO HB3 H 5.982 9.324 8.072 1.00 . A A . 21 PRO HB3 1 1
1 334 1 1 21 PRO HD2 H 6.634 6.187 5.722 1.00 . A A . 21 PRO HD2 1 1
1 335 1 1 21 PRO HD3 H 6.642 6.048 7.496 1.00 . A A . 21 PRO HD3 1 1
1 336 1 1 21 PRO HG2 H 7.591 8.260 5.829 1.00 . A A . 21 PRO HG2 1 1
1 337 1 1 21 PRO HG3 H 7.789 8.021 7.571 1.00 . A A . 21 PRO HG3 1 1
1 338 1 1 21 PRO N N 4.954 7.027 6.699 1.00 . A A . 21 PRO N 1 1
1 339 1 1 21 PRO O O 4.965 8.523 4.212 1.00 . A A . 21 PRO O 1 1
1 340 1 1 22 GLN C C 3.731 11.275 3.255 1.00 . A A . 22 GLN C 1 1
1 341 1 1 22 GLN CA C 2.799 10.179 3.770 1.00 . A A . 22 GLN CA 1 1
1 342 1 1 22 GLN CB C 1.380 10.741 3.868 1.00 . A A . 22 GLN CB 1 1
1 343 1 1 22 GLN CD C 0.960 12.429 2.080 1.00 . A A . 22 GLN CD 1 1
1 344 1 1 22 GLN CG C 0.818 10.960 2.462 1.00 . A A . 22 GLN CG 1 1
1 345 1 1 22 GLN H H 2.762 9.966 5.881 1.00 . A A . 22 GLN H 1 1
1 346 1 1 22 GLN HA H 2.802 9.358 3.070 1.00 . A A . 22 GLN HA 1 1
1 347 1 1 22 GLN HB2 H 0.753 10.042 4.403 1.00 . A A . 22 GLN HB2 1 1
1 348 1 1 22 GLN HB3 H 1.402 11.682 4.396 1.00 . A A . 22 GLN HB3 1 1
1 349 1 1 22 GLN HE21 H 1.326 12.044 0.168 1.00 . A A . 22 GLN HE21 1 1
1 350 1 1 22 GLN HE22 H 1.316 13.688 0.587 1.00 . A A . 22 GLN HE22 1 1
1 351 1 1 22 GLN HG2 H 1.363 10.349 1.757 1.00 . A A . 22 GLN HG2 1 1
1 352 1 1 22 GLN HG3 H -0.226 10.685 2.445 1.00 . A A . 22 GLN HG3 1 1
1 353 1 1 22 GLN N N 3.247 9.696 5.073 1.00 . A A . 22 GLN N 1 1
1 354 1 1 22 GLN NE2 N 1.223 12.747 0.842 1.00 . A A . 22 GLN NE2 1 1
1 355 1 1 22 GLN O O 3.544 11.803 2.158 1.00 . A A . 22 GLN O 1 1
1 356 1 1 22 GLN OE1 O 0.830 13.313 2.928 1.00 . A A . 22 GLN OE1 1 1
1 357 1 1 23 VAL C C 6.445 12.261 2.416 1.00 . A A . 23 VAL C 1 1
1 358 1 1 23 VAL CA C 5.690 12.651 3.685 1.00 . A A . 23 VAL CA 1 1
1 359 1 1 23 VAL CB C 6.698 12.878 4.812 1.00 . A A . 23 VAL CB 1 1
1 360 1 1 23 VAL CG1 C 7.371 11.552 5.170 1.00 . A A . 23 VAL CG1 1 1
1 361 1 1 23 VAL CG2 C 7.760 13.877 4.352 1.00 . A A . 23 VAL CG2 1 1
1 362 1 1 23 VAL H H 4.833 11.163 4.924 1.00 . A A . 23 VAL H 1 1
1 363 1 1 23 VAL HA H 5.156 13.571 3.506 1.00 . A A . 23 VAL HA 1 1
1 364 1 1 23 VAL HB H 6.185 13.267 5.680 1.00 . A A . 23 VAL HB 1 1
1 365 1 1 23 VAL HG11 H 6.788 10.734 4.773 1.00 . A A . 23 VAL HG11 1 1
1 366 1 1 23 VAL HG12 H 8.364 11.526 4.746 1.00 . A A . 23 VAL HG12 1 1
1 367 1 1 23 VAL HG13 H 7.436 11.460 6.244 1.00 . A A . 23 VAL HG13 1 1
1 368 1 1 23 VAL HG21 H 8.251 13.499 3.468 1.00 . A A . 23 VAL HG21 1 1
1 369 1 1 23 VAL HG22 H 7.290 14.823 4.128 1.00 . A A . 23 VAL HG22 1 1
1 370 1 1 23 VAL HG23 H 8.489 14.014 5.138 1.00 . A A . 23 VAL HG23 1 1
1 371 1 1 23 VAL N N 4.734 11.613 4.061 1.00 . A A . 23 VAL N 1 1
1 372 1 1 23 VAL O O 6.935 13.120 1.683 1.00 . A A . 23 VAL O 1 1
1 373 1 1 24 LEU C C 6.338 9.591 0.125 1.00 . A A . 24 LEU C 1 1
1 374 1 1 24 LEU CA C 7.245 10.475 0.980 1.00 . A A . 24 LEU CA 1 1
1 375 1 1 24 LEU CB C 8.493 9.682 1.381 1.00 . A A . 24 LEU CB 1 1
1 376 1 1 24 LEU CD1 C 7.035 8.158 2.731 1.00 . A A . 24 LEU CD1 1 1
1 377 1 1 24 LEU CD2 C 7.994 7.371 0.562 1.00 . A A . 24 LEU CD2 1 1
1 378 1 1 24 LEU CG C 8.249 8.230 1.803 1.00 . A A . 24 LEU CG 1 1
1 379 1 1 24 LEU H H 6.133 10.315 2.783 1.00 . A A . 24 LEU H 1 1
1 380 1 1 24 LEU HA H 7.552 11.326 0.391 1.00 . A A . 24 LEU HA 1 1
1 381 1 1 24 LEU HB2 H 9.172 9.676 0.544 1.00 . A A . 24 LEU HB2 1 1
1 382 1 1 24 LEU HB3 H 8.972 10.202 2.199 1.00 . A A . 24 LEU HB3 1 1
1 383 1 1 24 LEU HD11 H 7.129 8.906 3.504 1.00 . A A . 24 LEU HD11 1 1
1 384 1 1 24 LEU HD12 H 6.136 8.339 2.162 1.00 . A A . 24 LEU HD12 1 1
1 385 1 1 24 LEU HD13 H 6.984 7.178 3.182 1.00 . A A . 24 LEU HD13 1 1
1 386 1 1 24 LEU HD21 H 8.458 7.834 -0.297 1.00 . A A . 24 LEU HD21 1 1
1 387 1 1 24 LEU HD22 H 8.414 6.388 0.712 1.00 . A A . 24 LEU HD22 1 1
1 388 1 1 24 LEU HD23 H 6.930 7.287 0.395 1.00 . A A . 24 LEU HD23 1 1
1 389 1 1 24 LEU HG H 9.119 7.858 2.325 1.00 . A A . 24 LEU HG 1 1
1 390 1 1 24 LEU N N 6.539 10.958 2.165 1.00 . A A . 24 LEU N 1 1
1 391 1 1 24 LEU O O 6.754 9.075 -0.912 1.00 . A A . 24 LEU O 1 1
1 392 1 1 25 LEU C C 3.537 9.399 -1.326 1.00 . A A . 25 LEU C 1 1
1 393 1 1 25 LEU CA C 4.141 8.602 -0.173 1.00 . A A . 25 LEU CA 1 1
1 394 1 1 25 LEU CB C 3.018 8.129 0.748 1.00 . A A . 25 LEU CB 1 1
1 395 1 1 25 LEU CD1 C 3.673 5.773 0.227 1.00 . A A . 25 LEU CD1 1 1
1 396 1 1 25 LEU CD2 C 1.695 6.230 1.681 1.00 . A A . 25 LEU CD2 1 1
1 397 1 1 25 LEU CG C 2.495 6.718 0.472 1.00 . A A . 25 LEU CG 1 1
1 398 1 1 25 LEU H H 4.811 9.859 1.398 1.00 . A A . 25 LEU H 1 1
1 399 1 1 25 LEU HA H 4.654 7.740 -0.572 1.00 . A A . 25 LEU HA 1 1
1 400 1 1 25 LEU HB2 H 3.378 8.158 1.764 1.00 . A A . 25 LEU HB2 1 1
1 401 1 1 25 LEU HB3 H 2.194 8.824 0.661 1.00 . A A . 25 LEU HB3 1 1
1 402 1 1 25 LEU HD11 H 4.588 6.245 0.554 1.00 . A A . 25 LEU HD11 1 1
1 403 1 1 25 LEU HD12 H 3.521 4.858 0.781 1.00 . A A . 25 LEU HD12 1 1
1 404 1 1 25 LEU HD13 H 3.740 5.547 -0.827 1.00 . A A . 25 LEU HD13 1 1
1 405 1 1 25 LEU HD21 H 2.206 6.517 2.588 1.00 . A A . 25 LEU HD21 1 1
1 406 1 1 25 LEU HD22 H 0.712 6.676 1.665 1.00 . A A . 25 LEU HD22 1 1
1 407 1 1 25 LEU HD23 H 1.605 5.155 1.643 1.00 . A A . 25 LEU HD23 1 1
1 408 1 1 25 LEU HG H 1.859 6.734 -0.401 1.00 . A A . 25 LEU HG 1 1
1 409 1 1 25 LEU N N 5.094 9.424 0.567 1.00 . A A . 25 LEU N 1 1
1 410 1 1 25 LEU O O 3.575 10.629 -1.336 1.00 . A A . 25 LEU O 1 1
1 411 1 1 26 SER C C 0.871 9.058 -3.491 1.00 . A A . 26 SER C 1 1
1 412 1 1 26 SER CA C 2.371 9.332 -3.455 1.00 . A A . 26 SER CA 1 1
1 413 1 1 26 SER CB C 3.001 8.820 -4.750 1.00 . A A . 26 SER CB 1 1
1 414 1 1 26 SER H H 2.981 7.704 -2.238 1.00 . A A . 26 SER H 1 1
1 415 1 1 26 SER HA H 2.532 10.397 -3.385 1.00 . A A . 26 SER HA 1 1
1 416 1 1 26 SER HB2 H 3.945 8.349 -4.532 1.00 . A A . 26 SER HB2 1 1
1 417 1 1 26 SER HB3 H 2.339 8.098 -5.211 1.00 . A A . 26 SER HB3 1 1
1 418 1 1 26 SER HG H 3.428 9.560 -6.498 1.00 . A A . 26 SER HG 1 1
1 419 1 1 26 SER N N 2.981 8.682 -2.298 1.00 . A A . 26 SER N 1 1
1 420 1 1 26 SER O O 0.056 9.944 -3.235 1.00 . A A . 26 SER O 1 1
1 421 1 1 26 SER OG O 3.217 9.914 -5.631 1.00 . A A . 26 SER OG 1 1
1 422 1 1 27 SER C C -1.058 5.970 -3.477 1.00 . A A . 27 SER C 1 1
1 423 1 1 27 SER CA C -0.890 7.430 -3.884 1.00 . A A . 27 SER CA 1 1
1 424 1 1 27 SER CB C -1.425 7.617 -5.303 1.00 . A A . 27 SER CB 1 1
1 425 1 1 27 SER H H 1.210 7.153 -4.009 1.00 . A A . 27 SER H 1 1
1 426 1 1 27 SER HA H -1.462 8.051 -3.211 1.00 . A A . 27 SER HA 1 1
1 427 1 1 27 SER HB2 H -1.651 6.656 -5.734 1.00 . A A . 27 SER HB2 1 1
1 428 1 1 27 SER HB3 H -2.327 8.214 -5.271 1.00 . A A . 27 SER HB3 1 1
1 429 1 1 27 SER HG H -0.825 8.453 -6.954 1.00 . A A . 27 SER HG 1 1
1 430 1 1 27 SER N N 0.516 7.817 -3.814 1.00 . A A . 27 SER N 1 1
1 431 1 1 27 SER O O -0.206 5.397 -2.798 1.00 . A A . 27 SER O 1 1
1 432 1 1 27 SER OG O -0.439 8.265 -6.096 1.00 . A A . 27 SER OG 1 1
1 433 1 1 28 TRP C C -3.442 3.389 -4.564 1.00 . A A . 28 TRP C 1 1
1 434 1 1 28 TRP CA C -2.446 3.979 -3.574 1.00 . A A . 28 TRP CA 1 1
1 435 1 1 28 TRP CB C -3.025 3.864 -2.163 1.00 . A A . 28 TRP CB 1 1
1 436 1 1 28 TRP CD1 C -4.107 6.101 -1.704 1.00 . A A . 28 TRP CD1 1 1
1 437 1 1 28 TRP CD2 C -5.607 4.505 -2.219 1.00 . A A . 28 TRP CD2 1 1
1 438 1 1 28 TRP CE2 C -6.340 5.693 -1.992 1.00 . A A . 28 TRP CE2 1 1
1 439 1 1 28 TRP CE3 C -6.321 3.341 -2.562 1.00 . A A . 28 TRP CE3 1 1
1 440 1 1 28 TRP CG C -4.191 4.791 -2.031 1.00 . A A . 28 TRP CG 1 1
1 441 1 1 28 TRP CH2 C -8.424 4.562 -2.444 1.00 . A A . 28 TRP CH2 1 1
1 442 1 1 28 TRP CZ2 C -7.731 5.727 -2.102 1.00 . A A . 28 TRP CZ2 1 1
1 443 1 1 28 TRP CZ3 C -7.720 3.372 -2.673 1.00 . A A . 28 TRP CZ3 1 1
1 444 1 1 28 TRP H H -2.813 5.881 -4.438 1.00 . A A . 28 TRP H 1 1
1 445 1 1 28 TRP HA H -1.525 3.416 -3.621 1.00 . A A . 28 TRP HA 1 1
1 446 1 1 28 TRP HB2 H -3.350 2.848 -1.989 1.00 . A A . 28 TRP HB2 1 1
1 447 1 1 28 TRP HB3 H -2.270 4.129 -1.441 1.00 . A A . 28 TRP HB3 1 1
1 448 1 1 28 TRP HD1 H -3.194 6.639 -1.496 1.00 . A A . 28 TRP HD1 1 1
1 449 1 1 28 TRP HE1 H -5.598 7.572 -1.471 1.00 . A A . 28 TRP HE1 1 1
1 450 1 1 28 TRP HE3 H -5.789 2.417 -2.740 1.00 . A A . 28 TRP HE3 1 1
1 451 1 1 28 TRP HH2 H -9.500 4.580 -2.530 1.00 . A A . 28 TRP HH2 1 1
1 452 1 1 28 TRP HZ2 H -8.268 6.646 -1.926 1.00 . A A . 28 TRP HZ2 1 1
1 453 1 1 28 TRP HZ3 H -8.258 2.473 -2.937 1.00 . A A . 28 TRP HZ3 1 1
1 454 1 1 28 TRP N N -2.170 5.375 -3.900 1.00 . A A . 28 TRP N 1 1
1 455 1 1 28 TRP NE1 N -5.381 6.638 -1.680 1.00 . A A . 28 TRP NE1 1 1
1 456 1 1 28 TRP O O -4.407 4.043 -4.960 1.00 . A A . 28 TRP O 1 1
1 457 1 1 29 TYR C C -4.680 0.209 -5.265 1.00 . A A . 29 TYR C 1 1
1 458 1 1 29 TYR CA C -4.096 1.470 -5.896 1.00 . A A . 29 TYR CA 1 1
1 459 1 1 29 TYR CB C -3.353 1.102 -7.186 1.00 . A A . 29 TYR CB 1 1
1 460 1 1 29 TYR CD1 C -3.019 -1.393 -7.055 1.00 . A A . 29 TYR CD1 1 1
1 461 1 1 29 TYR CD2 C -1.119 0.059 -6.654 1.00 . A A . 29 TYR CD2 1 1
1 462 1 1 29 TYR CE1 C -2.206 -2.514 -6.851 1.00 . A A . 29 TYR CE1 1 1
1 463 1 1 29 TYR CE2 C -0.306 -1.062 -6.449 1.00 . A A . 29 TYR CE2 1 1
1 464 1 1 29 TYR CG C -2.476 -0.107 -6.956 1.00 . A A . 29 TYR CG 1 1
1 465 1 1 29 TYR CZ C -0.849 -2.348 -6.548 1.00 . A A . 29 TYR CZ 1 1
1 466 1 1 29 TYR H H -2.421 1.665 -4.602 1.00 . A A . 29 TYR H 1 1
1 467 1 1 29 TYR HA H -4.903 2.143 -6.143 1.00 . A A . 29 TYR HA 1 1
1 468 1 1 29 TYR HB2 H -4.071 0.881 -7.961 1.00 . A A . 29 TYR HB2 1 1
1 469 1 1 29 TYR HB3 H -2.739 1.935 -7.495 1.00 . A A . 29 TYR HB3 1 1
1 470 1 1 29 TYR HD1 H -4.066 -1.521 -7.288 1.00 . A A . 29 TYR HD1 1 1
1 471 1 1 29 TYR HD2 H -0.700 1.051 -6.577 1.00 . A A . 29 TYR HD2 1 1
1 472 1 1 29 TYR HE1 H -2.625 -3.507 -6.927 1.00 . A A . 29 TYR HE1 1 1
1 473 1 1 29 TYR HE2 H 0.741 -0.934 -6.215 1.00 . A A . 29 TYR HE2 1 1
1 474 1 1 29 TYR HH H 0.341 -3.696 -7.192 1.00 . A A . 29 TYR HH 1 1
1 475 1 1 29 TYR N N -3.203 2.141 -4.955 1.00 . A A . 29 TYR N 1 1
1 476 1 1 29 TYR O O -3.987 -0.529 -4.564 1.00 . A A . 29 TYR O 1 1
1 477 1 1 29 TYR OH O -0.047 -3.453 -6.348 1.00 . A A . 29 TYR OH 1 1
1 478 1 1 30 PRO C C -6.410 -2.489 -5.757 1.00 . A A . 30 PRO C 1 1
1 479 1 1 30 PRO CA C -6.661 -1.217 -4.951 1.00 . A A . 30 PRO CA 1 1
1 480 1 1 30 PRO CB C -8.123 -0.797 -5.043 1.00 . A A . 30 PRO CB 1 1
1 481 1 1 30 PRO CD C -6.808 0.832 -6.342 1.00 . A A . 30 PRO CD 1 1
1 482 1 1 30 PRO CG C -8.215 0.261 -6.138 1.00 . A A . 30 PRO CG 1 1
1 483 1 1 30 PRO HA H -6.395 -1.364 -3.918 1.00 . A A . 30 PRO HA 1 1
1 484 1 1 30 PRO HB2 H -8.735 -1.652 -5.299 1.00 . A A . 30 PRO HB2 1 1
1 485 1 1 30 PRO HB3 H -8.447 -0.377 -4.104 1.00 . A A . 30 PRO HB3 1 1
1 486 1 1 30 PRO HD2 H -6.518 0.765 -7.383 1.00 . A A . 30 PRO HD2 1 1
1 487 1 1 30 PRO HD3 H -6.754 1.851 -5.993 1.00 . A A . 30 PRO HD3 1 1
1 488 1 1 30 PRO HG2 H -8.569 -0.191 -7.055 1.00 . A A . 30 PRO HG2 1 1
1 489 1 1 30 PRO HG3 H -8.886 1.049 -5.833 1.00 . A A . 30 PRO HG3 1 1
1 490 1 1 30 PRO N N -5.966 -0.041 -5.504 1.00 . A A . 30 PRO N 1 1
1 491 1 1 30 PRO O O -6.239 -2.447 -6.975 1.00 . A A . 30 PRO O 1 1
1 492 1 1 31 THR C C -7.491 -5.505 -6.172 1.00 . A A . 31 THR C 1 1
1 493 1 1 31 THR CA C -6.166 -4.906 -5.707 1.00 . A A . 31 THR CA 1 1
1 494 1 1 31 THR CB C -5.485 -5.878 -4.740 1.00 . A A . 31 THR CB 1 1
1 495 1 1 31 THR CG2 C -6.167 -5.799 -3.374 1.00 . A A . 31 THR CG2 1 1
1 496 1 1 31 THR H H -6.538 -3.588 -4.088 1.00 . A A . 31 THR H 1 1
1 497 1 1 31 THR HA H -5.526 -4.759 -6.565 1.00 . A A . 31 THR HA 1 1
1 498 1 1 31 THR HB H -4.445 -5.610 -4.633 1.00 . A A . 31 THR HB 1 1
1 499 1 1 31 THR HG1 H -4.916 -7.312 -5.924 1.00 . A A . 31 THR HG1 1 1
1 500 1 1 31 THR HG21 H -7.114 -5.289 -3.474 1.00 . A A . 31 THR HG21 1 1
1 501 1 1 31 THR HG22 H -6.332 -6.797 -2.996 1.00 . A A . 31 THR HG22 1 1
1 502 1 1 31 THR HG23 H -5.535 -5.254 -2.688 1.00 . A A . 31 THR HG23 1 1
1 503 1 1 31 THR N N -6.394 -3.619 -5.057 1.00 . A A . 31 THR N 1 1
1 504 1 1 31 THR O O -8.550 -4.895 -6.023 1.00 . A A . 31 THR O 1 1
1 505 1 1 31 THR OG1 O -5.584 -7.202 -5.244 1.00 . A A . 31 THR OG1 1 1
1 506 1 1 32 SER C C -9.483 -7.838 -6.049 1.00 . A A . 32 SER C 1 1
1 507 1 1 32 SER CA C -8.619 -7.383 -7.220 1.00 . A A . 32 SER CA 1 1
1 508 1 1 32 SER CB C -8.243 -8.601 -8.065 1.00 . A A . 32 SER CB 1 1
1 509 1 1 32 SER H H -6.548 -7.145 -6.827 1.00 . A A . 32 SER H 1 1
1 510 1 1 32 SER HA H -9.187 -6.697 -7.830 1.00 . A A . 32 SER HA 1 1
1 511 1 1 32 SER HB2 H -7.241 -8.914 -7.823 1.00 . A A . 32 SER HB2 1 1
1 512 1 1 32 SER HB3 H -8.931 -9.409 -7.855 1.00 . A A . 32 SER HB3 1 1
1 513 1 1 32 SER HG H -8.205 -9.060 -9.955 1.00 . A A . 32 SER HG 1 1
1 514 1 1 32 SER N N -7.419 -6.706 -6.736 1.00 . A A . 32 SER N 1 1
1 515 1 1 32 SER O O -9.054 -7.812 -4.895 1.00 . A A . 32 SER O 1 1
1 516 1 1 32 SER OG O -8.305 -8.254 -9.442 1.00 . A A . 32 SER OG 1 1
1 517 1 1 33 GLN C C -11.668 -10.243 -5.283 1.00 . A A . 33 GLN C 1 1
1 518 1 1 33 GLN CA C -11.629 -8.717 -5.325 1.00 . A A . 33 GLN CA 1 1
1 519 1 1 33 GLN CB C -13.040 -8.191 -5.594 1.00 . A A . 33 GLN CB 1 1
1 520 1 1 33 GLN CD C -14.570 -6.520 -4.550 1.00 . A A . 33 GLN CD 1 1
1 521 1 1 33 GLN CG C -13.667 -7.719 -4.281 1.00 . A A . 33 GLN CG 1 1
1 522 1 1 33 GLN H H -10.993 -8.255 -7.296 1.00 . A A . 33 GLN H 1 1
1 523 1 1 33 GLN HA H -11.295 -8.348 -4.367 1.00 . A A . 33 GLN HA 1 1
1 524 1 1 33 GLN HB2 H -12.989 -7.364 -6.288 1.00 . A A . 33 GLN HB2 1 1
1 525 1 1 33 GLN HB3 H -13.644 -8.979 -6.016 1.00 . A A . 33 GLN HB3 1 1
1 526 1 1 33 GLN HE21 H -14.477 -5.851 -2.683 1.00 . A A . 33 GLN HE21 1 1
1 527 1 1 33 GLN HE22 H -15.427 -4.923 -3.740 1.00 . A A . 33 GLN HE22 1 1
1 528 1 1 33 GLN HG2 H -14.251 -8.521 -3.852 1.00 . A A . 33 GLN HG2 1 1
1 529 1 1 33 GLN HG3 H -12.888 -7.432 -3.591 1.00 . A A . 33 GLN HG3 1 1
1 530 1 1 33 GLN N N -10.706 -8.256 -6.359 1.00 . A A . 33 GLN N 1 1
1 531 1 1 33 GLN NE2 N -14.848 -5.696 -3.577 1.00 . A A . 33 GLN NE2 1 1
1 532 1 1 33 GLN O O -12.229 -10.837 -4.362 1.00 . A A . 33 GLN O 1 1
1 533 1 1 33 GLN OE1 O -15.036 -6.325 -5.673 1.00 . A A . 33 GLN OE1 1 1
1 534 1 1 34 LEU C C -9.832 -12.877 -5.604 1.00 . A A . 34 LEU C 1 1
1 535 1 1 34 LEU CA C -11.039 -12.329 -6.358 1.00 . A A . 34 LEU CA 1 1
1 536 1 1 34 LEU CB C -10.973 -12.796 -7.813 1.00 . A A . 34 LEU CB 1 1
1 537 1 1 34 LEU CD1 C -13.278 -11.844 -7.987 1.00 . A A . 34 LEU CD1 1 1
1 538 1 1 34 LEU CD2 C -11.406 -10.832 -9.295 1.00 . A A . 34 LEU CD2 1 1
1 539 1 1 34 LEU CG C -11.987 -12.140 -8.753 1.00 . A A . 34 LEU CG 1 1
1 540 1 1 34 LEU H H -10.635 -10.347 -6.998 1.00 . A A . 34 LEU H 1 1
1 541 1 1 34 LEU HA H -11.940 -12.717 -5.908 1.00 . A A . 34 LEU HA 1 1
1 542 1 1 34 LEU HB2 H -9.984 -12.590 -8.191 1.00 . A A . 34 LEU HB2 1 1
1 543 1 1 34 LEU HB3 H -11.127 -13.866 -7.832 1.00 . A A . 34 LEU HB3 1 1
1 544 1 1 34 LEU HD11 H -13.501 -12.669 -7.326 1.00 . A A . 34 LEU HD11 1 1
1 545 1 1 34 LEU HD12 H -13.154 -10.941 -7.408 1.00 . A A . 34 LEU HD12 1 1
1 546 1 1 34 LEU HD13 H -14.090 -11.715 -8.687 1.00 . A A . 34 LEU HD13 1 1
1 547 1 1 34 LEU HD21 H -10.333 -10.922 -9.380 1.00 . A A . 34 LEU HD21 1 1
1 548 1 1 34 LEU HD22 H -11.828 -10.626 -10.267 1.00 . A A . 34 LEU HD22 1 1
1 549 1 1 34 LEU HD23 H -11.647 -10.024 -8.619 1.00 . A A . 34 LEU HD23 1 1
1 550 1 1 34 LEU HG H -12.201 -12.809 -9.574 1.00 . A A . 34 LEU HG 1 1
1 551 1 1 34 LEU N N -11.066 -10.870 -6.290 1.00 . A A . 34 LEU N 1 1
1 552 1 1 34 LEU O O -9.113 -13.744 -6.101 1.00 . A A . 34 LEU O 1 1
1 553 1 1 35 CYS C C -8.986 -13.269 -2.209 1.00 . A A . 35 CYS C 1 1
1 554 1 1 35 CYS CA C -8.495 -12.809 -3.577 1.00 . A A . 35 CYS CA 1 1
1 555 1 1 35 CYS CB C -7.484 -11.677 -3.387 1.00 . A A . 35 CYS CB 1 1
1 556 1 1 35 CYS H H -10.225 -11.675 -4.051 1.00 . A A . 35 CYS H 1 1
1 557 1 1 35 CYS HA H -8.006 -13.635 -4.071 1.00 . A A . 35 CYS HA 1 1
1 558 1 1 35 CYS HB2 H -7.813 -11.030 -2.587 1.00 . A A . 35 CYS HB2 1 1
1 559 1 1 35 CYS HB3 H -6.519 -12.095 -3.138 1.00 . A A . 35 CYS HB3 1 1
1 560 1 1 35 CYS N N -9.619 -12.363 -4.397 1.00 . A A . 35 CYS N 1 1
1 561 1 1 35 CYS O O -10.070 -12.894 -1.762 1.00 . A A . 35 CYS O 1 1
1 562 1 1 35 CYS SG S -7.349 -10.721 -4.918 1.00 . A A . 35 CYS SG 1 1
1 563 1 1 36 SER C C -8.578 -13.459 0.787 1.00 . A A . 36 SER C 1 1
1 564 1 1 36 SER CA C -8.531 -14.598 -0.226 1.00 . A A . 36 SER CA 1 1
1 565 1 1 36 SER CB C -7.513 -15.638 0.241 1.00 . A A . 36 SER CB 1 1
1 566 1 1 36 SER H H -7.321 -14.354 -1.952 1.00 . A A . 36 SER H 1 1
1 567 1 1 36 SER HA H -9.505 -15.061 -0.280 1.00 . A A . 36 SER HA 1 1
1 568 1 1 36 SER HB2 H -6.757 -15.770 -0.516 1.00 . A A . 36 SER HB2 1 1
1 569 1 1 36 SER HB3 H -7.048 -15.299 1.157 1.00 . A A . 36 SER HB3 1 1
1 570 1 1 36 SER HG H -7.556 -17.583 0.264 1.00 . A A . 36 SER HG 1 1
1 571 1 1 36 SER N N -8.173 -14.089 -1.547 1.00 . A A . 36 SER N 1 1
1 572 1 1 36 SER O O -9.272 -13.537 1.801 1.00 . A A . 36 SER O 1 1
1 573 1 1 36 SER OG O -8.175 -16.877 0.461 1.00 . A A . 36 SER OG 1 1
1 574 1 1 37 LYS C C -7.063 -10.079 0.720 1.00 . A A . 37 LYS C 1 1
1 575 1 1 37 LYS CA C -7.789 -11.241 1.391 1.00 . A A . 37 LYS CA 1 1
1 576 1 1 37 LYS CB C -7.069 -11.593 2.694 1.00 . A A . 37 LYS CB 1 1
1 577 1 1 37 LYS CD C -5.456 -13.298 3.551 1.00 . A A . 37 LYS CD 1 1
1 578 1 1 37 LYS CE C -4.084 -12.926 4.115 1.00 . A A . 37 LYS CE 1 1
1 579 1 1 37 LYS CG C -5.793 -12.376 2.378 1.00 . A A . 37 LYS CG 1 1
1 580 1 1 37 LYS H H -7.297 -12.391 -0.323 1.00 . A A . 37 LYS H 1 1
1 581 1 1 37 LYS HA H -8.799 -10.938 1.620 1.00 . A A . 37 LYS HA 1 1
1 582 1 1 37 LYS HB2 H -6.814 -10.685 3.220 1.00 . A A . 37 LYS HB2 1 1
1 583 1 1 37 LYS HB3 H -7.716 -12.198 3.311 1.00 . A A . 37 LYS HB3 1 1
1 584 1 1 37 LYS HD2 H -6.205 -13.189 4.321 1.00 . A A . 37 LYS HD2 1 1
1 585 1 1 37 LYS HD3 H -5.436 -14.322 3.210 1.00 . A A . 37 LYS HD3 1 1
1 586 1 1 37 LYS HE2 H -3.337 -13.024 3.342 1.00 . A A . 37 LYS HE2 1 1
1 587 1 1 37 LYS HE3 H -4.105 -11.905 4.468 1.00 . A A . 37 LYS HE3 1 1
1 588 1 1 37 LYS HG2 H -5.945 -12.967 1.486 1.00 . A A . 37 LYS HG2 1 1
1 589 1 1 37 LYS HG3 H -4.977 -11.687 2.218 1.00 . A A . 37 LYS HG3 1 1
1 590 1 1 37 LYS HZ1 H -4.621 -14.259 5.622 1.00 . A A . 37 LYS HZ1 1 1
1 591 1 1 37 LYS HZ2 H -3.116 -14.589 4.912 1.00 . A A . 37 LYS HZ2 1 1
1 592 1 1 37 LYS HZ3 H -3.275 -13.292 5.999 1.00 . A A . 37 LYS HZ3 1 1
1 593 1 1 37 LYS N N -7.830 -12.397 0.500 1.00 . A A . 37 LYS N 1 1
1 594 1 1 37 LYS NZ N -3.749 -13.835 5.248 1.00 . A A . 37 LYS NZ 1 1
1 595 1 1 37 LYS O O -5.938 -9.737 1.084 1.00 . A A . 37 LYS O 1 1
1 596 1 1 38 PRO C C -7.301 -7.002 -0.278 1.00 . A A . 38 PRO C 1 1
1 597 1 1 38 PRO CA C -7.132 -8.331 -1.011 1.00 . A A . 38 PRO CA 1 1
1 598 1 1 38 PRO CB C -7.944 -8.347 -2.299 1.00 . A A . 38 PRO CB 1 1
1 599 1 1 38 PRO CD C -9.055 -9.871 -0.712 1.00 . A A . 38 PRO CD 1 1
1 600 1 1 38 PRO CG C -9.264 -9.047 -1.987 1.00 . A A . 38 PRO CG 1 1
1 601 1 1 38 PRO HA H -6.094 -8.512 -1.237 1.00 . A A . 38 PRO HA 1 1
1 602 1 1 38 PRO HB2 H -8.130 -7.334 -2.629 1.00 . A A . 38 PRO HB2 1 1
1 603 1 1 38 PRO HB3 H -7.415 -8.894 -3.064 1.00 . A A . 38 PRO HB3 1 1
1 604 1 1 38 PRO HD2 H -9.798 -9.615 0.032 1.00 . A A . 38 PRO HD2 1 1
1 605 1 1 38 PRO HD3 H -9.077 -10.927 -0.930 1.00 . A A . 38 PRO HD3 1 1
1 606 1 1 38 PRO HG2 H -10.040 -8.311 -1.830 1.00 . A A . 38 PRO HG2 1 1
1 607 1 1 38 PRO HG3 H -9.535 -9.701 -2.801 1.00 . A A . 38 PRO HG3 1 1
1 608 1 1 38 PRO N N -7.707 -9.467 -0.270 1.00 . A A . 38 PRO N 1 1
1 609 1 1 38 PRO O O -8.340 -6.737 0.326 1.00 . A A . 38 PRO O 1 1
1 610 1 1 39 GLY C C -5.968 -3.755 -0.674 1.00 . A A . 39 GLY C 1 1
1 611 1 1 39 GLY CA C -6.304 -4.866 0.315 1.00 . A A . 39 GLY CA 1 1
1 612 1 1 39 GLY H H -5.464 -6.435 -0.841 1.00 . A A . 39 GLY H 1 1
1 613 1 1 39 GLY HA2 H -5.585 -4.852 1.120 1.00 . A A . 39 GLY HA2 1 1
1 614 1 1 39 GLY HA3 H -7.294 -4.700 0.717 1.00 . A A . 39 GLY HA3 1 1
1 615 1 1 39 GLY N N -6.266 -6.170 -0.343 1.00 . A A . 39 GLY N 1 1
1 616 1 1 39 GLY O O -6.662 -3.563 -1.672 1.00 . A A . 39 GLY O 1 1
1 617 1 1 40 VAL C C -2.976 -1.677 -1.106 1.00 . A A . 40 VAL C 1 1
1 618 1 1 40 VAL CA C -4.470 -1.937 -1.260 1.00 . A A . 40 VAL CA 1 1
1 619 1 1 40 VAL CB C -5.228 -0.652 -0.928 1.00 . A A . 40 VAL CB 1 1
1 620 1 1 40 VAL CG1 C -4.858 0.433 -1.939 1.00 . A A . 40 VAL CG1 1 1
1 621 1 1 40 VAL CG2 C -6.732 -0.917 -0.995 1.00 . A A . 40 VAL CG2 1 1
1 622 1 1 40 VAL H H -4.376 -3.227 0.422 1.00 . A A . 40 VAL H 1 1
1 623 1 1 40 VAL HA H -4.675 -2.209 -2.285 1.00 . A A . 40 VAL HA 1 1
1 624 1 1 40 VAL HB H -4.962 -0.323 0.066 1.00 . A A . 40 VAL HB 1 1
1 625 1 1 40 VAL HG11 H -3.933 0.167 -2.429 1.00 . A A . 40 VAL HG11 1 1
1 626 1 1 40 VAL HG12 H -5.643 0.521 -2.676 1.00 . A A . 40 VAL HG12 1 1
1 627 1 1 40 VAL HG13 H -4.738 1.376 -1.428 1.00 . A A . 40 VAL HG13 1 1
1 628 1 1 40 VAL HG21 H -6.990 -1.277 -1.980 1.00 . A A . 40 VAL HG21 1 1
1 629 1 1 40 VAL HG22 H -7.000 -1.660 -0.258 1.00 . A A . 40 VAL HG22 1 1
1 630 1 1 40 VAL HG23 H -7.268 -0.001 -0.794 1.00 . A A . 40 VAL HG23 1 1
1 631 1 1 40 VAL N N -4.893 -3.027 -0.386 1.00 . A A . 40 VAL N 1 1
1 632 1 1 40 VAL O O -2.447 -1.643 0.005 1.00 . A A . 40 VAL O 1 1
1 633 1 1 41 ILE C C -0.604 0.269 -2.371 1.00 . A A . 41 ILE C 1 1
1 634 1 1 41 ILE CA C -0.868 -1.227 -2.223 1.00 . A A . 41 ILE CA 1 1
1 635 1 1 41 ILE CB C -0.179 -1.977 -3.365 1.00 . A A . 41 ILE CB 1 1
1 636 1 1 41 ILE CD1 C -1.454 -4.123 -3.490 1.00 . A A . 41 ILE CD1 1 1
1 637 1 1 41 ILE CG1 C -0.145 -3.472 -3.039 1.00 . A A . 41 ILE CG1 1 1
1 638 1 1 41 ILE CG2 C 1.252 -1.462 -3.536 1.00 . A A . 41 ILE CG2 1 1
1 639 1 1 41 ILE H H -2.779 -1.524 -3.092 1.00 . A A . 41 ILE H 1 1
1 640 1 1 41 ILE HA H -0.458 -1.565 -1.283 1.00 . A A . 41 ILE HA 1 1
1 641 1 1 41 ILE HB H -0.730 -1.820 -4.279 1.00 . A A . 41 ILE HB 1 1
1 642 1 1 41 ILE HD11 H -2.179 -3.355 -3.715 1.00 . A A . 41 ILE HD11 1 1
1 643 1 1 41 ILE HD12 H -1.274 -4.719 -4.373 1.00 . A A . 41 ILE HD12 1 1
1 644 1 1 41 ILE HD13 H -1.832 -4.755 -2.700 1.00 . A A . 41 ILE HD13 1 1
1 645 1 1 41 ILE HG12 H 0.685 -3.934 -3.555 1.00 . A A . 41 ILE HG12 1 1
1 646 1 1 41 ILE HG13 H -0.027 -3.606 -1.975 1.00 . A A . 41 ILE HG13 1 1
1 647 1 1 41 ILE HG21 H 1.618 -1.093 -2.590 1.00 . A A . 41 ILE HG21 1 1
1 648 1 1 41 ILE HG22 H 1.886 -2.267 -3.879 1.00 . A A . 41 ILE HG22 1 1
1 649 1 1 41 ILE HG23 H 1.262 -0.663 -4.263 1.00 . A A . 41 ILE HG23 1 1
1 650 1 1 41 ILE N N -2.303 -1.489 -2.236 1.00 . A A . 41 ILE N 1 1
1 651 1 1 41 ILE O O -1.313 0.972 -3.090 1.00 . A A . 41 ILE O 1 1
1 652 1 1 42 PHE C C 2.071 2.351 -2.528 1.00 . A A . 42 PHE C 1 1
1 653 1 1 42 PHE CA C 0.781 2.160 -1.737 1.00 . A A . 42 PHE CA 1 1
1 654 1 1 42 PHE CB C 0.980 2.720 -0.328 1.00 . A A . 42 PHE CB 1 1
1 655 1 1 42 PHE CD1 C -1.183 2.053 0.779 1.00 . A A . 42 PHE CD1 1 1
1 656 1 1 42 PHE CD2 C -0.776 4.401 0.332 1.00 . A A . 42 PHE CD2 1 1
1 657 1 1 42 PHE CE1 C -2.424 2.375 1.341 1.00 . A A . 42 PHE CE1 1 1
1 658 1 1 42 PHE CE2 C -2.018 4.723 0.893 1.00 . A A . 42 PHE CE2 1 1
1 659 1 1 42 PHE CG C -0.359 3.066 0.275 1.00 . A A . 42 PHE CG 1 1
1 660 1 1 42 PHE CZ C -2.842 3.710 1.397 1.00 . A A . 42 PHE CZ 1 1
1 661 1 1 42 PHE H H 0.956 0.138 -1.123 1.00 . A A . 42 PHE H 1 1
1 662 1 1 42 PHE HA H -0.016 2.703 -2.224 1.00 . A A . 42 PHE HA 1 1
1 663 1 1 42 PHE HB2 H 1.471 1.981 0.287 1.00 . A A . 42 PHE HB2 1 1
1 664 1 1 42 PHE HB3 H 1.591 3.609 -0.378 1.00 . A A . 42 PHE HB3 1 1
1 665 1 1 42 PHE HD1 H -0.861 1.023 0.735 1.00 . A A . 42 PHE HD1 1 1
1 666 1 1 42 PHE HD2 H -0.140 5.183 -0.057 1.00 . A A . 42 PHE HD2 1 1
1 667 1 1 42 PHE HE1 H -3.060 1.593 1.730 1.00 . A A . 42 PHE HE1 1 1
1 668 1 1 42 PHE HE2 H -2.340 5.752 0.936 1.00 . A A . 42 PHE HE2 1 1
1 669 1 1 42 PHE HZ H -3.799 3.958 1.831 1.00 . A A . 42 PHE HZ 1 1
1 670 1 1 42 PHE N N 0.427 0.745 -1.680 1.00 . A A . 42 PHE N 1 1
1 671 1 1 42 PHE O O 3.097 1.744 -2.223 1.00 . A A . 42 PHE O 1 1
1 672 1 1 43 LEU C C 3.845 4.774 -3.946 1.00 . A A . 43 LEU C 1 1
1 673 1 1 43 LEU CA C 3.180 3.470 -4.374 1.00 . A A . 43 LEU CA 1 1
1 674 1 1 43 LEU CB C 2.783 3.573 -5.847 1.00 . A A . 43 LEU CB 1 1
1 675 1 1 43 LEU CD1 C 0.336 3.245 -6.236 1.00 . A A . 43 LEU CD1 1 1
1 676 1 1 43 LEU CD2 C 1.999 2.144 -7.740 1.00 . A A . 43 LEU CD2 1 1
1 677 1 1 43 LEU CG C 1.712 2.579 -6.302 1.00 . A A . 43 LEU CG 1 1
1 678 1 1 43 LEU H H 1.163 3.661 -3.741 1.00 . A A . 43 LEU H 1 1
1 679 1 1 43 LEU HA H 3.885 2.661 -4.257 1.00 . A A . 43 LEU HA 1 1
1 680 1 1 43 LEU HB2 H 2.415 4.570 -6.031 1.00 . A A . 43 LEU HB2 1 1
1 681 1 1 43 LEU HB3 H 3.670 3.422 -6.448 1.00 . A A . 43 LEU HB3 1 1
1 682 1 1 43 LEU HD11 H 0.455 4.319 -6.248 1.00 . A A . 43 LEU HD11 1 1
1 683 1 1 43 LEU HD12 H -0.253 2.939 -7.089 1.00 . A A . 43 LEU HD12 1 1
1 684 1 1 43 LEU HD13 H -0.165 2.948 -5.327 1.00 . A A . 43 LEU HD13 1 1
1 685 1 1 43 LEU HD21 H 2.055 3.016 -8.376 1.00 . A A . 43 LEU HD21 1 1
1 686 1 1 43 LEU HD22 H 2.938 1.611 -7.775 1.00 . A A . 43 LEU HD22 1 1
1 687 1 1 43 LEU HD23 H 1.205 1.498 -8.086 1.00 . A A . 43 LEU HD23 1 1
1 688 1 1 43 LEU HG H 1.724 1.715 -5.652 1.00 . A A . 43 LEU HG 1 1
1 689 1 1 43 LEU N N 2.008 3.203 -3.546 1.00 . A A . 43 LEU N 1 1
1 690 1 1 43 LEU O O 3.442 5.859 -4.363 1.00 . A A . 43 LEU O 1 1
1 691 1 1 44 THR C C 6.024 6.700 -3.801 1.00 . A A . 44 THR C 1 1
1 692 1 1 44 THR CA C 5.586 5.833 -2.626 1.00 . A A . 44 THR CA 1 1
1 693 1 1 44 THR CB C 6.821 5.421 -1.823 1.00 . A A . 44 THR CB 1 1
1 694 1 1 44 THR CG2 C 6.406 4.475 -0.694 1.00 . A A . 44 THR CG2 1 1
1 695 1 1 44 THR H H 5.150 3.764 -2.806 1.00 . A A . 44 THR H 1 1
1 696 1 1 44 THR HA H 4.930 6.408 -1.989 1.00 . A A . 44 THR HA 1 1
1 697 1 1 44 THR HB H 7.285 6.298 -1.399 1.00 . A A . 44 THR HB 1 1
1 698 1 1 44 THR HG1 H 7.269 4.068 -3.146 1.00 . A A . 44 THR HG1 1 1
1 699 1 1 44 THR HG21 H 5.473 3.995 -0.952 1.00 . A A . 44 THR HG21 1 1
1 700 1 1 44 THR HG22 H 7.170 3.725 -0.554 1.00 . A A . 44 THR HG22 1 1
1 701 1 1 44 THR HG23 H 6.281 5.038 0.219 1.00 . A A . 44 THR HG23 1 1
1 702 1 1 44 THR N N 4.870 4.655 -3.106 1.00 . A A . 44 THR N 1 1
1 703 1 1 44 THR O O 6.084 6.242 -4.942 1.00 . A A . 44 THR O 1 1
1 704 1 1 44 THR OG1 O 7.741 4.763 -2.681 1.00 . A A . 44 THR OG1 1 1
1 705 1 1 45 LYS C C 7.952 8.322 -5.311 1.00 . A A . 45 LYS C 1 1
1 706 1 1 45 LYS CA C 6.759 8.890 -4.548 1.00 . A A . 45 LYS CA 1 1
1 707 1 1 45 LYS CB C 7.154 10.234 -3.935 1.00 . A A . 45 LYS CB 1 1
1 708 1 1 45 LYS CD C 6.313 11.842 -2.216 1.00 . A A . 45 LYS CD 1 1
1 709 1 1 45 LYS CE C 6.998 13.092 -2.773 1.00 . A A . 45 LYS CE 1 1
1 710 1 1 45 LYS CG C 5.910 10.924 -3.371 1.00 . A A . 45 LYS CG 1 1
1 711 1 1 45 LYS H H 6.261 8.271 -2.581 1.00 . A A . 45 LYS H 1 1
1 712 1 1 45 LYS HA H 5.944 9.047 -5.238 1.00 . A A . 45 LYS HA 1 1
1 713 1 1 45 LYS HB2 H 7.867 10.071 -3.140 1.00 . A A . 45 LYS HB2 1 1
1 714 1 1 45 LYS HB3 H 7.597 10.861 -4.694 1.00 . A A . 45 LYS HB3 1 1
1 715 1 1 45 LYS HD2 H 5.432 12.130 -1.660 1.00 . A A . 45 LYS HD2 1 1
1 716 1 1 45 LYS HD3 H 6.997 11.321 -1.563 1.00 . A A . 45 LYS HD3 1 1
1 717 1 1 45 LYS HE2 H 8.014 12.854 -3.048 1.00 . A A . 45 LYS HE2 1 1
1 718 1 1 45 LYS HE3 H 6.461 13.439 -3.643 1.00 . A A . 45 LYS HE3 1 1
1 719 1 1 45 LYS HG2 H 5.439 11.508 -4.149 1.00 . A A . 45 LYS HG2 1 1
1 720 1 1 45 LYS HG3 H 5.217 10.178 -3.010 1.00 . A A . 45 LYS HG3 1 1
1 721 1 1 45 LYS HZ1 H 6.021 14.384 -1.464 1.00 . A A . 45 LYS HZ1 1 1
1 722 1 1 45 LYS HZ2 H 7.525 13.831 -0.898 1.00 . A A . 45 LYS HZ2 1 1
1 723 1 1 45 LYS HZ3 H 7.460 15.012 -2.113 1.00 . A A . 45 LYS HZ3 1 1
1 724 1 1 45 LYS N N 6.328 7.961 -3.508 1.00 . A A . 45 LYS N 1 1
1 725 1 1 45 LYS NZ N 7.001 14.160 -1.734 1.00 . A A . 45 LYS NZ 1 1
1 726 1 1 45 LYS O O 7.929 8.216 -6.537 1.00 . A A . 45 LYS O 1 1
1 727 1 1 46 ARG C C 10.677 6.167 -4.452 1.00 . A A . 46 ARG C 1 1
1 728 1 1 46 ARG CA C 10.203 7.418 -5.188 1.00 . A A . 46 ARG CA 1 1
1 729 1 1 46 ARG CB C 11.326 8.453 -5.163 1.00 . A A . 46 ARG CB 1 1
1 730 1 1 46 ARG CD C 13.574 8.988 -6.113 1.00 . A A . 46 ARG CD 1 1
1 731 1 1 46 ARG CG C 12.580 7.865 -5.812 1.00 . A A . 46 ARG CG 1 1
1 732 1 1 46 ARG CZ C 15.808 9.248 -7.032 1.00 . A A . 46 ARG CZ 1 1
1 733 1 1 46 ARG H H 8.963 8.081 -3.598 1.00 . A A . 46 ARG H 1 1
1 734 1 1 46 ARG HA H 9.988 7.162 -6.215 1.00 . A A . 46 ARG HA 1 1
1 735 1 1 46 ARG HB2 H 11.016 9.334 -5.706 1.00 . A A . 46 ARG HB2 1 1
1 736 1 1 46 ARG HB3 H 11.543 8.718 -4.139 1.00 . A A . 46 ARG HB3 1 1
1 737 1 1 46 ARG HD2 H 13.122 9.691 -6.796 1.00 . A A . 46 ARG HD2 1 1
1 738 1 1 46 ARG HD3 H 13.823 9.498 -5.193 1.00 . A A . 46 ARG HD3 1 1
1 739 1 1 46 ARG HE H 14.861 7.489 -6.887 1.00 . A A . 46 ARG HE 1 1
1 740 1 1 46 ARG HG2 H 13.034 7.153 -5.139 1.00 . A A . 46 ARG HG2 1 1
1 741 1 1 46 ARG HG3 H 12.311 7.370 -6.733 1.00 . A A . 46 ARG HG3 1 1
1 742 1 1 46 ARG HH11 H 14.900 10.915 -6.395 1.00 . A A . 46 ARG HH11 1 1
1 743 1 1 46 ARG HH12 H 16.491 11.130 -7.045 1.00 . A A . 46 ARG HH12 1 1
1 744 1 1 46 ARG HH21 H 16.949 7.764 -7.742 1.00 . A A . 46 ARG HH21 1 1
1 745 1 1 46 ARG HH22 H 17.651 9.347 -7.808 1.00 . A A . 46 ARG HH22 1 1
1 746 1 1 46 ARG N N 8.998 7.967 -4.571 1.00 . A A . 46 ARG N 1 1
1 747 1 1 46 ARG NE N 14.792 8.451 -6.714 1.00 . A A . 46 ARG NE 1 1
1 748 1 1 46 ARG NH1 N 15.727 10.531 -6.806 1.00 . A A . 46 ARG NH1 1 1
1 749 1 1 46 ARG NH2 N 16.887 8.747 -7.569 1.00 . A A . 46 ARG NH2 1 1
1 750 1 1 46 ARG O O 11.690 5.567 -4.813 1.00 . A A . 46 ARG O 1 1
1 751 1 1 47 GLY C C 9.909 3.325 -3.366 1.00 . A A . 47 GLY C 1 1
1 752 1 1 47 GLY CA C 10.307 4.601 -2.638 1.00 . A A . 47 GLY CA 1 1
1 753 1 1 47 GLY H H 9.146 6.291 -3.165 1.00 . A A . 47 GLY H 1 1
1 754 1 1 47 GLY HA2 H 9.802 4.634 -1.684 1.00 . A A . 47 GLY HA2 1 1
1 755 1 1 47 GLY HA3 H 11.375 4.601 -2.475 1.00 . A A . 47 GLY HA3 1 1
1 756 1 1 47 GLY N N 9.941 5.779 -3.414 1.00 . A A . 47 GLY N 1 1
1 757 1 1 47 GLY O O 10.488 2.969 -4.393 1.00 . A A . 47 GLY O 1 1
1 758 1 1 48 ARG C C 6.960 1.176 -3.104 1.00 . A A . 48 ARG C 1 1
1 759 1 1 48 ARG CA C 8.437 1.393 -3.419 1.00 . A A . 48 ARG CA 1 1
1 760 1 1 48 ARG CB C 9.242 0.205 -2.887 1.00 . A A . 48 ARG CB 1 1
1 761 1 1 48 ARG CD C 11.203 -1.281 -3.321 1.00 . A A . 48 ARG CD 1 1
1 762 1 1 48 ARG CG C 10.464 -0.024 -3.779 1.00 . A A . 48 ARG CG 1 1
1 763 1 1 48 ARG CZ C 12.008 -3.357 -4.294 1.00 . A A . 48 ARG CZ 1 1
1 764 1 1 48 ARG H H 8.490 2.974 -2.001 1.00 . A A . 48 ARG H 1 1
1 765 1 1 48 ARG HA H 8.564 1.449 -4.489 1.00 . A A . 48 ARG HA 1 1
1 766 1 1 48 ARG HB2 H 9.567 0.413 -1.878 1.00 . A A . 48 ARG HB2 1 1
1 767 1 1 48 ARG HB3 H 8.625 -0.680 -2.891 1.00 . A A . 48 ARG HB3 1 1
1 768 1 1 48 ARG HD2 H 12.214 -1.021 -3.048 1.00 . A A . 48 ARG HD2 1 1
1 769 1 1 48 ARG HD3 H 10.699 -1.696 -2.459 1.00 . A A . 48 ARG HD3 1 1
1 770 1 1 48 ARG HE H 10.684 -2.148 -5.187 1.00 . A A . 48 ARG HE 1 1
1 771 1 1 48 ARG HG2 H 10.143 -0.147 -4.804 1.00 . A A . 48 ARG HG2 1 1
1 772 1 1 48 ARG HG3 H 11.126 0.826 -3.709 1.00 . A A . 48 ARG HG3 1 1
1 773 1 1 48 ARG HH11 H 12.738 -2.867 -2.495 1.00 . A A . 48 ARG HH11 1 1
1 774 1 1 48 ARG HH12 H 13.329 -4.351 -3.164 1.00 . A A . 48 ARG HH12 1 1
1 775 1 1 48 ARG HH21 H 11.455 -4.095 -6.071 1.00 . A A . 48 ARG HH21 1 1
1 776 1 1 48 ARG HH22 H 12.603 -5.046 -5.189 1.00 . A A . 48 ARG HH22 1 1
1 777 1 1 48 ARG N N 8.913 2.638 -2.819 1.00 . A A . 48 ARG N 1 1
1 778 1 1 48 ARG NE N 11.237 -2.277 -4.388 1.00 . A A . 48 ARG NE 1 1
1 779 1 1 48 ARG NH1 N 12.749 -3.539 -3.235 1.00 . A A . 48 ARG NH1 1 1
1 780 1 1 48 ARG NH2 N 12.023 -4.234 -5.260 1.00 . A A . 48 ARG NH2 1 1
1 781 1 1 48 ARG O O 6.291 2.052 -2.557 1.00 . A A . 48 ARG O 1 1
1 782 1 1 49 GLN C C 4.911 -0.930 -1.796 1.00 . A A . 49 GLN C 1 1
1 783 1 1 49 GLN CA C 5.065 -0.343 -3.195 1.00 . A A . 49 GLN CA 1 1
1 784 1 1 49 GLN CB C 4.561 -1.360 -4.221 1.00 . A A . 49 GLN CB 1 1
1 785 1 1 49 GLN CD C 4.507 -1.238 -6.712 1.00 . A A . 49 GLN CD 1 1
1 786 1 1 49 GLN CG C 3.970 -0.623 -5.425 1.00 . A A . 49 GLN CG 1 1
1 787 1 1 49 GLN H H 7.046 -0.670 -3.879 1.00 . A A . 49 GLN H 1 1
1 788 1 1 49 GLN HA H 4.470 0.554 -3.270 1.00 . A A . 49 GLN HA 1 1
1 789 1 1 49 GLN HB2 H 5.383 -1.981 -4.546 1.00 . A A . 49 GLN HB2 1 1
1 790 1 1 49 GLN HB3 H 3.799 -1.978 -3.771 1.00 . A A . 49 GLN HB3 1 1
1 791 1 1 49 GLN HE21 H 4.545 0.489 -7.690 1.00 . A A . 49 GLN HE21 1 1
1 792 1 1 49 GLN HE22 H 5.071 -0.858 -8.578 1.00 . A A . 49 GLN HE22 1 1
1 793 1 1 49 GLN HG2 H 2.893 -0.708 -5.406 1.00 . A A . 49 GLN HG2 1 1
1 794 1 1 49 GLN HG3 H 4.250 0.419 -5.382 1.00 . A A . 49 GLN HG3 1 1
1 795 1 1 49 GLN N N 6.463 -0.009 -3.450 1.00 . A A . 49 GLN N 1 1
1 796 1 1 49 GLN NE2 N 4.726 -0.472 -7.746 1.00 . A A . 49 GLN NE2 1 1
1 797 1 1 49 GLN O O 5.823 -1.572 -1.274 1.00 . A A . 49 GLN O 1 1
1 798 1 1 49 GLN OE1 O 4.734 -2.446 -6.783 1.00 . A A . 49 GLN OE1 1 1
1 799 1 1 50 VAL C C 2.054 -1.716 0.272 1.00 . A A . 50 VAL C 1 1
1 800 1 1 50 VAL CA C 3.490 -1.215 0.153 1.00 . A A . 50 VAL CA 1 1
1 801 1 1 50 VAL CB C 3.724 -0.121 1.197 1.00 . A A . 50 VAL CB 1 1
1 802 1 1 50 VAL CG1 C 3.226 -0.599 2.562 1.00 . A A . 50 VAL CG1 1 1
1 803 1 1 50 VAL CG2 C 5.220 0.189 1.282 1.00 . A A . 50 VAL CG2 1 1
1 804 1 1 50 VAL H H 3.056 -0.183 -1.652 1.00 . A A . 50 VAL H 1 1
1 805 1 1 50 VAL HA H 4.164 -2.034 0.351 1.00 . A A . 50 VAL HA 1 1
1 806 1 1 50 VAL HB H 3.185 0.771 0.910 1.00 . A A . 50 VAL HB 1 1
1 807 1 1 50 VAL HG11 H 3.230 -1.679 2.589 1.00 . A A . 50 VAL HG11 1 1
1 808 1 1 50 VAL HG12 H 3.876 -0.218 3.336 1.00 . A A . 50 VAL HG12 1 1
1 809 1 1 50 VAL HG13 H 2.222 -0.238 2.726 1.00 . A A . 50 VAL HG13 1 1
1 810 1 1 50 VAL HG21 H 5.637 0.226 0.287 1.00 . A A . 50 VAL HG21 1 1
1 811 1 1 50 VAL HG22 H 5.363 1.143 1.769 1.00 . A A . 50 VAL HG22 1 1
1 812 1 1 50 VAL HG23 H 5.715 -0.584 1.852 1.00 . A A . 50 VAL HG23 1 1
1 813 1 1 50 VAL N N 3.748 -0.703 -1.191 1.00 . A A . 50 VAL N 1 1
1 814 1 1 50 VAL O O 1.100 -0.945 0.168 1.00 . A A . 50 VAL O 1 1
1 815 1 1 51 CYS C C -0.004 -3.273 1.999 1.00 . A A . 51 CYS C 1 1
1 816 1 1 51 CYS CA C 0.591 -3.621 0.638 1.00 . A A . 51 CYS CA 1 1
1 817 1 1 51 CYS CB C 0.681 -5.142 0.503 1.00 . A A . 51 CYS CB 1 1
1 818 1 1 51 CYS H H 2.711 -3.583 0.576 1.00 . A A . 51 CYS H 1 1
1 819 1 1 51 CYS HA H -0.055 -3.237 -0.138 1.00 . A A . 51 CYS HA 1 1
1 820 1 1 51 CYS HB2 H 1.354 -5.530 1.253 1.00 . A A . 51 CYS HB2 1 1
1 821 1 1 51 CYS HB3 H -0.298 -5.575 0.639 1.00 . A A . 51 CYS HB3 1 1
1 822 1 1 51 CYS N N 1.913 -3.019 0.498 1.00 . A A . 51 CYS N 1 1
1 823 1 1 51 CYS O O 0.639 -3.448 3.034 1.00 . A A . 51 CYS O 1 1
1 824 1 1 51 CYS SG S 1.306 -5.563 -1.144 1.00 . A A . 51 CYS SG 1 1
1 825 1 1 52 ALA C C -3.404 -2.650 3.140 1.00 . A A . 52 ALA C 1 1
1 826 1 1 52 ALA CA C -1.903 -2.398 3.234 1.00 . A A . 52 ALA CA 1 1
1 827 1 1 52 ALA CB C -1.668 -0.918 3.541 1.00 . A A . 52 ALA CB 1 1
1 828 1 1 52 ALA H H -1.704 -2.649 1.135 1.00 . A A . 52 ALA H 1 1
1 829 1 1 52 ALA HA H -1.497 -2.989 4.040 1.00 . A A . 52 ALA HA 1 1
1 830 1 1 52 ALA HB1 H -0.855 -0.550 2.934 1.00 . A A . 52 ALA HB1 1 1
1 831 1 1 52 ALA HB2 H -2.565 -0.359 3.320 1.00 . A A . 52 ALA HB2 1 1
1 832 1 1 52 ALA HB3 H -1.419 -0.803 4.586 1.00 . A A . 52 ALA HB3 1 1
1 833 1 1 52 ALA N N -1.237 -2.772 1.989 1.00 . A A . 52 ALA N 1 1
1 834 1 1 52 ALA O O -3.960 -2.793 2.051 1.00 . A A . 52 ALA O 1 1
1 835 1 1 53 ASP C C -6.209 -1.700 4.895 1.00 . A A . 53 ASP C 1 1
1 836 1 1 53 ASP CA C -5.494 -2.932 4.351 1.00 . A A . 53 ASP CA 1 1
1 837 1 1 53 ASP CB C -5.816 -4.127 5.249 1.00 . A A . 53 ASP CB 1 1
1 838 1 1 53 ASP CG C -6.077 -5.358 4.388 1.00 . A A . 53 ASP CG 1 1
1 839 1 1 53 ASP H H -3.556 -2.576 5.136 1.00 . A A . 53 ASP H 1 1
1 840 1 1 53 ASP HA H -5.852 -3.136 3.353 1.00 . A A . 53 ASP HA 1 1
1 841 1 1 53 ASP HB2 H -4.981 -4.318 5.908 1.00 . A A . 53 ASP HB2 1 1
1 842 1 1 53 ASP HB3 H -6.695 -3.909 5.837 1.00 . A A . 53 ASP HB3 1 1
1 843 1 1 53 ASP N N -4.053 -2.700 4.301 1.00 . A A . 53 ASP N 1 1
1 844 1 1 53 ASP O O -5.996 -1.295 6.037 1.00 . A A . 53 ASP O 1 1
1 845 1 1 53 ASP OD1 O -6.104 -5.215 3.177 1.00 . A A . 53 ASP OD1 1 1
1 846 1 1 53 ASP OD2 O -6.245 -6.426 4.953 1.00 . A A . 53 ASP OD2 1 1
1 847 1 1 54 LYS C C -8.359 -0.107 5.884 1.00 . A A . 54 LYS C 1 1
1 848 1 1 54 LYS CA C -7.807 0.077 4.474 1.00 . A A . 54 LYS CA 1 1
1 849 1 1 54 LYS CB C -8.969 0.340 3.513 1.00 . A A . 54 LYS CB 1 1
1 850 1 1 54 LYS CD C -10.740 -0.760 2.135 1.00 . A A . 54 LYS CD 1 1
1 851 1 1 54 LYS CE C -12.163 -0.825 2.692 1.00 . A A . 54 LYS CE 1 1
1 852 1 1 54 LYS CG C -9.737 -0.962 3.272 1.00 . A A . 54 LYS CG 1 1
1 853 1 1 54 LYS H H -7.193 -1.476 3.164 1.00 . A A . 54 LYS H 1 1
1 854 1 1 54 LYS HA H -7.144 0.929 4.464 1.00 . A A . 54 LYS HA 1 1
1 855 1 1 54 LYS HB2 H -9.632 1.076 3.944 1.00 . A A . 54 LYS HB2 1 1
1 856 1 1 54 LYS HB3 H -8.584 0.707 2.574 1.00 . A A . 54 LYS HB3 1 1
1 857 1 1 54 LYS HD2 H -10.575 0.204 1.676 1.00 . A A . 54 LYS HD2 1 1
1 858 1 1 54 LYS HD3 H -10.609 -1.538 1.397 1.00 . A A . 54 LYS HD3 1 1
1 859 1 1 54 LYS HE2 H -12.166 -1.398 3.607 1.00 . A A . 54 LYS HE2 1 1
1 860 1 1 54 LYS HE3 H -12.517 0.176 2.893 1.00 . A A . 54 LYS HE3 1 1
1 861 1 1 54 LYS HG2 H -9.042 -1.745 3.006 1.00 . A A . 54 LYS HG2 1 1
1 862 1 1 54 LYS HG3 H -10.266 -1.240 4.171 1.00 . A A . 54 LYS HG3 1 1
1 863 1 1 54 LYS HZ1 H -13.014 -0.954 0.796 1.00 . A A . 54 LYS HZ1 1 1
1 864 1 1 54 LYS HZ2 H -12.750 -2.458 1.541 1.00 . A A . 54 LYS HZ2 1 1
1 865 1 1 54 LYS HZ3 H -14.035 -1.474 2.050 1.00 . A A . 54 LYS HZ3 1 1
1 866 1 1 54 LYS N N -7.062 -1.109 4.064 1.00 . A A . 54 LYS N 1 1
1 867 1 1 54 LYS NZ N -13.058 -1.477 1.695 1.00 . A A . 54 LYS NZ 1 1
1 868 1 1 54 LYS O O -8.572 0.860 6.615 1.00 . A A . 54 LYS O 1 1
1 869 1 1 55 SER C C -8.214 -1.078 8.662 1.00 . A A . 55 SER C 1 1
1 870 1 1 55 SER CA C -9.113 -1.672 7.583 1.00 . A A . 55 SER CA 1 1
1 871 1 1 55 SER CB C -9.203 -3.184 7.786 1.00 . A A . 55 SER CB 1 1
1 872 1 1 55 SER H H -8.397 -2.094 5.631 1.00 . A A . 55 SER H 1 1
1 873 1 1 55 SER HA H -10.102 -1.247 7.676 1.00 . A A . 55 SER HA 1 1
1 874 1 1 55 SER HB2 H -8.787 -3.690 6.930 1.00 . A A . 55 SER HB2 1 1
1 875 1 1 55 SER HB3 H -8.645 -3.461 8.671 1.00 . A A . 55 SER HB3 1 1
1 876 1 1 55 SER HG H -10.619 -4.515 7.876 1.00 . A A . 55 SER HG 1 1
1 877 1 1 55 SER N N -8.587 -1.364 6.256 1.00 . A A . 55 SER N 1 1
1 878 1 1 55 SER O O -8.688 -0.616 9.701 1.00 . A A . 55 SER O 1 1
1 879 1 1 55 SER OG O -10.566 -3.558 7.933 1.00 . A A . 55 SER OG 1 1
1 880 1 1 56 LYS C C -6.335 0.866 9.756 1.00 . A A . 56 LYS C 1 1
1 881 1 1 56 LYS CA C -5.947 -0.555 9.360 1.00 . A A . 56 LYS CA 1 1
1 882 1 1 56 LYS CB C -4.541 -0.539 8.755 1.00 . A A . 56 LYS CB 1 1
1 883 1 1 56 LYS CD C -3.143 -2.480 9.478 1.00 . A A . 56 LYS CD 1 1
1 884 1 1 56 LYS CE C -3.155 -4.010 9.488 1.00 . A A . 56 LYS CE 1 1
1 885 1 1 56 LYS CG C -4.116 -1.969 8.414 1.00 . A A . 56 LYS CG 1 1
1 886 1 1 56 LYS H H -6.589 -1.476 7.560 1.00 . A A . 56 LYS H 1 1
1 887 1 1 56 LYS HA H -5.941 -1.176 10.243 1.00 . A A . 56 LYS HA 1 1
1 888 1 1 56 LYS HB2 H -4.543 0.061 7.857 1.00 . A A . 56 LYS HB2 1 1
1 889 1 1 56 LYS HB3 H -3.847 -0.120 9.468 1.00 . A A . 56 LYS HB3 1 1
1 890 1 1 56 LYS HD2 H -2.146 -2.129 9.252 1.00 . A A . 56 LYS HD2 1 1
1 891 1 1 56 LYS HD3 H -3.444 -2.113 10.447 1.00 . A A . 56 LYS HD3 1 1
1 892 1 1 56 LYS HE2 H -4.109 -4.360 9.854 1.00 . A A . 56 LYS HE2 1 1
1 893 1 1 56 LYS HE3 H -2.997 -4.378 8.485 1.00 . A A . 56 LYS HE3 1 1
1 894 1 1 56 LYS HG2 H -4.988 -2.606 8.386 1.00 . A A . 56 LYS HG2 1 1
1 895 1 1 56 LYS HG3 H -3.631 -1.980 7.450 1.00 . A A . 56 LYS HG3 1 1
1 896 1 1 56 LYS HZ1 H -2.082 -3.979 11.273 1.00 . A A . 56 LYS HZ1 1 1
1 897 1 1 56 LYS HZ2 H -2.214 -5.520 10.570 1.00 . A A . 56 LYS HZ2 1 1
1 898 1 1 56 LYS HZ3 H -1.149 -4.377 9.910 1.00 . A A . 56 LYS HZ3 1 1
1 899 1 1 56 LYS N N -6.909 -1.095 8.404 1.00 . A A . 56 LYS N 1 1
1 900 1 1 56 LYS NZ N -2.068 -4.509 10.377 1.00 . A A . 56 LYS NZ 1 1
1 901 1 1 56 LYS O O -7.430 1.335 9.445 1.00 . A A . 56 LYS O 1 1
1 902 1 1 57 ASP C C -4.888 3.906 10.038 1.00 . A A . 57 ASP C 1 1
1 903 1 1 57 ASP CA C -5.683 2.916 10.882 1.00 . A A . 57 ASP CA 1 1
1 904 1 1 57 ASP CB C -5.299 3.093 12.352 1.00 . A A . 57 ASP CB 1 1
1 905 1 1 57 ASP CG C -6.391 2.504 13.238 1.00 . A A . 57 ASP CG 1 1
1 906 1 1 57 ASP H H -4.569 1.123 10.667 1.00 . A A . 57 ASP H 1 1
1 907 1 1 57 ASP HA H -6.736 3.126 10.768 1.00 . A A . 57 ASP HA 1 1
1 908 1 1 57 ASP HB2 H -4.365 2.584 12.544 1.00 . A A . 57 ASP HB2 1 1
1 909 1 1 57 ASP HB3 H -5.188 4.144 12.571 1.00 . A A . 57 ASP HB3 1 1
1 910 1 1 57 ASP N N -5.424 1.547 10.446 1.00 . A A . 57 ASP N 1 1
1 911 1 1 57 ASP O O -5.446 4.845 9.468 1.00 . A A . 57 ASP O 1 1
1 912 1 1 57 ASP OD1 O -6.860 1.422 12.927 1.00 . A A . 57 ASP OD1 1 1
1 913 1 1 57 ASP OD2 O -6.743 3.144 14.215 1.00 . A A . 57 ASP OD2 1 1
1 914 1 1 58 TRP C C -3.014 4.417 7.695 1.00 . A A . 58 TRP C 1 1
1 915 1 1 58 TRP CA C -2.718 4.571 9.182 1.00 . A A . 58 TRP CA 1 1
1 916 1 1 58 TRP CB C -1.243 4.257 9.438 1.00 . A A . 58 TRP CB 1 1
1 917 1 1 58 TRP CD1 C -1.128 1.788 9.969 1.00 . A A . 58 TRP CD1 1 1
1 918 1 1 58 TRP CD2 C -0.471 2.252 7.868 1.00 . A A . 58 TRP CD2 1 1
1 919 1 1 58 TRP CE2 C -0.353 0.851 8.031 1.00 . A A . 58 TRP CE2 1 1
1 920 1 1 58 TRP CE3 C -0.117 2.807 6.626 1.00 . A A . 58 TRP CE3 1 1
1 921 1 1 58 TRP CG C -0.964 2.824 9.114 1.00 . A A . 58 TRP CG 1 1
1 922 1 1 58 TRP CH2 C 0.449 0.600 5.768 1.00 . A A . 58 TRP CH2 1 1
1 923 1 1 58 TRP CZ2 C 0.102 0.031 6.996 1.00 . A A . 58 TRP CZ2 1 1
1 924 1 1 58 TRP CZ3 C 0.341 1.985 5.583 1.00 . A A . 58 TRP CZ3 1 1
1 925 1 1 58 TRP H H -3.188 2.924 10.435 1.00 . A A . 58 TRP H 1 1
1 926 1 1 58 TRP HA H -2.912 5.592 9.473 1.00 . A A . 58 TRP HA 1 1
1 927 1 1 58 TRP HB2 H -0.628 4.891 8.816 1.00 . A A . 58 TRP HB2 1 1
1 928 1 1 58 TRP HB3 H -1.012 4.442 10.477 1.00 . A A . 58 TRP HB3 1 1
1 929 1 1 58 TRP HD1 H -1.483 1.864 10.987 1.00 . A A . 58 TRP HD1 1 1
1 930 1 1 58 TRP HE1 H -0.788 -0.276 9.729 1.00 . A A . 58 TRP HE1 1 1
1 931 1 1 58 TRP HE3 H -0.197 3.873 6.473 1.00 . A A . 58 TRP HE3 1 1
1 932 1 1 58 TRP HH2 H 0.802 -0.026 4.963 1.00 . A A . 58 TRP HH2 1 1
1 933 1 1 58 TRP HZ2 H 0.185 -1.036 7.143 1.00 . A A . 58 TRP HZ2 1 1
1 934 1 1 58 TRP HZ3 H 0.611 2.423 4.634 1.00 . A A . 58 TRP HZ3 1 1
1 935 1 1 58 TRP N N -3.579 3.687 9.962 1.00 . A A . 58 TRP N 1 1
1 936 1 1 58 TRP NE1 N -0.764 0.618 9.328 1.00 . A A . 58 TRP NE1 1 1
1 937 1 1 58 TRP O O -2.825 5.347 6.910 1.00 . A A . 58 TRP O 1 1
1 938 1 1 59 VAL C C -5.092 3.711 5.538 1.00 . A A . 59 VAL C 1 1
1 939 1 1 59 VAL CA C -3.819 2.968 5.922 1.00 . A A . 59 VAL CA 1 1
1 940 1 1 59 VAL CB C -4.023 1.471 5.694 1.00 . A A . 59 VAL CB 1 1
1 941 1 1 59 VAL CG1 C -4.397 1.223 4.231 1.00 . A A . 59 VAL CG1 1 1
1 942 1 1 59 VAL CG2 C -2.727 0.727 6.021 1.00 . A A . 59 VAL CG2 1 1
1 943 1 1 59 VAL H H -3.625 2.532 7.989 1.00 . A A . 59 VAL H 1 1
1 944 1 1 59 VAL HA H -3.008 3.311 5.297 1.00 . A A . 59 VAL HA 1 1
1 945 1 1 59 VAL HB H -4.817 1.114 6.334 1.00 . A A . 59 VAL HB 1 1
1 946 1 1 59 VAL HG11 H -3.680 1.712 3.588 1.00 . A A . 59 VAL HG11 1 1
1 947 1 1 59 VAL HG12 H -4.393 0.161 4.033 1.00 . A A . 59 VAL HG12 1 1
1 948 1 1 59 VAL HG13 H -5.383 1.621 4.039 1.00 . A A . 59 VAL HG13 1 1
1 949 1 1 59 VAL HG21 H -1.920 1.131 5.427 1.00 . A A . 59 VAL HG21 1 1
1 950 1 1 59 VAL HG22 H -2.498 0.847 7.069 1.00 . A A . 59 VAL HG22 1 1
1 951 1 1 59 VAL HG23 H -2.848 -0.323 5.797 1.00 . A A . 59 VAL HG23 1 1
1 952 1 1 59 VAL N N -3.489 3.234 7.318 1.00 . A A . 59 VAL N 1 1
1 953 1 1 59 VAL O O -5.304 4.053 4.375 1.00 . A A . 59 VAL O 1 1
1 954 1 1 60 LYS C C -6.921 6.157 6.101 1.00 . A A . 60 LYS C 1 1
1 955 1 1 60 LYS CA C -7.190 4.669 6.300 1.00 . A A . 60 LYS CA 1 1
1 956 1 1 60 LYS CB C -8.138 4.487 7.487 1.00 . A A . 60 LYS CB 1 1
1 957 1 1 60 LYS CD C -10.528 4.533 8.215 1.00 . A A . 60 LYS CD 1 1
1 958 1 1 60 LYS CE C -11.940 4.966 7.817 1.00 . A A . 60 LYS CE 1 1
1 959 1 1 60 LYS CG C -9.576 4.751 7.037 1.00 . A A . 60 LYS CG 1 1
1 960 1 1 60 LYS H H -5.712 3.665 7.443 1.00 . A A . 60 LYS H 1 1
1 961 1 1 60 LYS HA H -7.659 4.273 5.412 1.00 . A A . 60 LYS HA 1 1
1 962 1 1 60 LYS HB2 H -8.055 3.477 7.861 1.00 . A A . 60 LYS HB2 1 1
1 963 1 1 60 LYS HB3 H -7.874 5.184 8.269 1.00 . A A . 60 LYS HB3 1 1
1 964 1 1 60 LYS HD2 H -10.534 3.486 8.484 1.00 . A A . 60 LYS HD2 1 1
1 965 1 1 60 LYS HD3 H -10.198 5.120 9.058 1.00 . A A . 60 LYS HD3 1 1
1 966 1 1 60 LYS HE2 H -12.209 5.860 8.360 1.00 . A A . 60 LYS HE2 1 1
1 967 1 1 60 LYS HE3 H -11.970 5.167 6.756 1.00 . A A . 60 LYS HE3 1 1
1 968 1 1 60 LYS HG2 H -9.663 5.769 6.687 1.00 . A A . 60 LYS HG2 1 1
1 969 1 1 60 LYS HG3 H -9.834 4.072 6.238 1.00 . A A . 60 LYS HG3 1 1
1 970 1 1 60 LYS HZ1 H -12.456 3.202 8.796 1.00 . A A . 60 LYS HZ1 1 1
1 971 1 1 60 LYS HZ2 H -13.749 4.285 8.592 1.00 . A A . 60 LYS HZ2 1 1
1 972 1 1 60 LYS HZ3 H -13.182 3.386 7.271 1.00 . A A . 60 LYS HZ3 1 1
1 973 1 1 60 LYS N N -5.937 3.960 6.535 1.00 . A A . 60 LYS N 1 1
1 974 1 1 60 LYS NZ N -12.905 3.878 8.144 1.00 . A A . 60 LYS NZ 1 1
1 975 1 1 60 LYS O O -7.450 6.782 5.181 1.00 . A A . 60 LYS O 1 1
1 976 1 1 61 LYS C C -5.136 8.444 5.525 1.00 . A A . 61 LYS C 1 1
1 977 1 1 61 LYS CA C -5.744 8.131 6.887 1.00 . A A . 61 LYS CA 1 1
1 978 1 1 61 LYS CB C -4.742 8.508 7.980 1.00 . A A . 61 LYS CB 1 1
1 979 1 1 61 LYS CD C -4.158 10.224 9.700 1.00 . A A . 61 LYS CD 1 1
1 980 1 1 61 LYS CE C -5.015 10.487 10.940 1.00 . A A . 61 LYS CE 1 1
1 981 1 1 61 LYS CG C -5.066 9.906 8.510 1.00 . A A . 61 LYS CG 1 1
1 982 1 1 61 LYS H H -5.693 6.166 7.684 1.00 . A A . 61 LYS H 1 1
1 983 1 1 61 LYS HA H -6.641 8.718 7.016 1.00 . A A . 61 LYS HA 1 1
1 984 1 1 61 LYS HB2 H -4.804 7.793 8.787 1.00 . A A . 61 LYS HB2 1 1
1 985 1 1 61 LYS HB3 H -3.744 8.503 7.570 1.00 . A A . 61 LYS HB3 1 1
1 986 1 1 61 LYS HD2 H -3.502 9.386 9.885 1.00 . A A . 61 LYS HD2 1 1
1 987 1 1 61 LYS HD3 H -3.569 11.102 9.479 1.00 . A A . 61 LYS HD3 1 1
1 988 1 1 61 LYS HE2 H -5.890 11.054 10.659 1.00 . A A . 61 LYS HE2 1 1
1 989 1 1 61 LYS HE3 H -5.319 9.546 11.373 1.00 . A A . 61 LYS HE3 1 1
1 990 1 1 61 LYS HG2 H -4.904 10.634 7.728 1.00 . A A . 61 LYS HG2 1 1
1 991 1 1 61 LYS HG3 H -6.097 9.942 8.827 1.00 . A A . 61 LYS HG3 1 1
1 992 1 1 61 LYS HZ1 H -3.207 11.115 11.761 1.00 . A A . 61 LYS HZ1 1 1
1 993 1 1 61 LYS HZ2 H -4.445 12.270 11.851 1.00 . A A . 61 LYS HZ2 1 1
1 994 1 1 61 LYS HZ3 H -4.457 10.931 12.896 1.00 . A A . 61 LYS HZ3 1 1
1 995 1 1 61 LYS N N -6.087 6.715 6.974 1.00 . A A . 61 LYS N 1 1
1 996 1 1 61 LYS NZ N -4.221 11.259 11.937 1.00 . A A . 61 LYS NZ 1 1
1 997 1 1 61 LYS O O -5.486 9.436 4.885 1.00 . A A . 61 LYS O 1 1
1 998 1 1 62 LEU C C -4.611 7.858 2.687 1.00 . A A . 62 LEU C 1 1
1 999 1 1 62 LEU CA C -3.570 7.772 3.795 1.00 . A A . 62 LEU CA 1 1
1 1000 1 1 62 LEU CB C -2.620 6.612 3.496 1.00 . A A . 62 LEU CB 1 1
1 1001 1 1 62 LEU CD1 C -1.073 4.978 4.580 1.00 . A A . 62 LEU CD1 1 1
1 1002 1 1 62 LEU CD2 C -0.254 7.257 3.972 1.00 . A A . 62 LEU CD2 1 1
1 1003 1 1 62 LEU CG C -1.456 6.455 4.476 1.00 . A A . 62 LEU CG 1 1
1 1004 1 1 62 LEU H H -3.984 6.809 5.639 1.00 . A A . 62 LEU H 1 1
1 1005 1 1 62 LEU HA H -3.005 8.690 3.818 1.00 . A A . 62 LEU HA 1 1
1 1006 1 1 62 LEU HB2 H -3.190 5.697 3.503 1.00 . A A . 62 LEU HB2 1 1
1 1007 1 1 62 LEU HB3 H -2.218 6.753 2.503 1.00 . A A . 62 LEU HB3 1 1
1 1008 1 1 62 LEU HD11 H -1.350 4.470 3.667 1.00 . A A . 62 LEU HD11 1 1
1 1009 1 1 62 LEU HD12 H -0.007 4.891 4.731 1.00 . A A . 62 LEU HD12 1 1
1 1010 1 1 62 LEU HD13 H -1.593 4.529 5.413 1.00 . A A . 62 LEU HD13 1 1
1 1011 1 1 62 LEU HD21 H -0.450 7.606 2.969 1.00 . A A . 62 LEU HD21 1 1
1 1012 1 1 62 LEU HD22 H -0.089 8.104 4.621 1.00 . A A . 62 LEU HD22 1 1
1 1013 1 1 62 LEU HD23 H 0.624 6.628 3.970 1.00 . A A . 62 LEU HD23 1 1
1 1014 1 1 62 LEU HG H -1.752 6.819 5.449 1.00 . A A . 62 LEU HG 1 1
1 1015 1 1 62 LEU N N -4.222 7.583 5.087 1.00 . A A . 62 LEU N 1 1
1 1016 1 1 62 LEU O O -4.554 8.734 1.824 1.00 . A A . 62 LEU O 1 1
1 1017 1 1 63 MET C C -7.249 8.291 1.577 1.00 . A A . 63 MET C 1 1
1 1018 1 1 63 MET CA C -6.627 6.908 1.723 1.00 . A A . 63 MET CA 1 1
1 1019 1 1 63 MET CB C -7.716 5.910 2.121 1.00 . A A . 63 MET CB 1 1
1 1020 1 1 63 MET CE C -7.924 2.641 0.035 1.00 . A A . 63 MET CE 1 1
1 1021 1 1 63 MET CG C -7.209 4.484 1.896 1.00 . A A . 63 MET CG 1 1
1 1022 1 1 63 MET H H -5.559 6.265 3.439 1.00 . A A . 63 MET H 1 1
1 1023 1 1 63 MET HA H -6.207 6.610 0.775 1.00 . A A . 63 MET HA 1 1
1 1024 1 1 63 MET HB2 H -7.964 6.045 3.164 1.00 . A A . 63 MET HB2 1 1
1 1025 1 1 63 MET HB3 H -8.595 6.077 1.517 1.00 . A A . 63 MET HB3 1 1
1 1026 1 1 63 MET HE1 H -7.149 3.280 -0.367 1.00 . A A . 63 MET HE1 1 1
1 1027 1 1 63 MET HE2 H -7.510 1.673 0.279 1.00 . A A . 63 MET HE2 1 1
1 1028 1 1 63 MET HE3 H -8.704 2.521 -0.700 1.00 . A A . 63 MET HE3 1 1
1 1029 1 1 63 MET HG2 H -6.519 4.474 1.066 1.00 . A A . 63 MET HG2 1 1
1 1030 1 1 63 MET HG3 H -6.707 4.136 2.786 1.00 . A A . 63 MET HG3 1 1
1 1031 1 1 63 MET N N -5.566 6.935 2.725 1.00 . A A . 63 MET N 1 1
1 1032 1 1 63 MET O O -7.547 8.743 0.471 1.00 . A A . 63 MET O 1 1
1 1033 1 1 63 MET SD S -8.609 3.397 1.529 1.00 . A A . 63 MET SD 1 1
1 1034 1 1 64 GLN C C -6.957 11.340 2.395 1.00 . A A . 64 GLN C 1 1
1 1035 1 1 64 GLN CA C -8.024 10.296 2.708 1.00 . A A . 64 GLN CA 1 1
1 1036 1 1 64 GLN CB C -8.647 10.611 4.069 1.00 . A A . 64 GLN CB 1 1
1 1037 1 1 64 GLN CD C -10.764 10.552 5.389 1.00 . A A . 64 GLN CD 1 1
1 1038 1 1 64 GLN CG C -10.163 10.419 3.993 1.00 . A A . 64 GLN CG 1 1
1 1039 1 1 64 GLN H H -7.179 8.546 3.560 1.00 . A A . 64 GLN H 1 1
1 1040 1 1 64 GLN HA H -8.793 10.342 1.952 1.00 . A A . 64 GLN HA 1 1
1 1041 1 1 64 GLN HB2 H -8.236 9.947 4.816 1.00 . A A . 64 GLN HB2 1 1
1 1042 1 1 64 GLN HB3 H -8.429 11.634 4.337 1.00 . A A . 64 GLN HB3 1 1
1 1043 1 1 64 GLN HE21 H -12.632 10.670 4.727 1.00 . A A . 64 GLN HE21 1 1
1 1044 1 1 64 GLN HE22 H -12.453 10.755 6.413 1.00 . A A . 64 GLN HE22 1 1
1 1045 1 1 64 GLN HG2 H -10.589 11.170 3.344 1.00 . A A . 64 GLN HG2 1 1
1 1046 1 1 64 GLN HG3 H -10.382 9.437 3.601 1.00 . A A . 64 GLN HG3 1 1
1 1047 1 1 64 GLN N N -7.438 8.958 2.710 1.00 . A A . 64 GLN N 1 1
1 1048 1 1 64 GLN NE2 N -12.057 10.668 5.520 1.00 . A A . 64 GLN NE2 1 1
1 1049 1 1 64 GLN O O -7.246 12.395 1.830 1.00 . A A . 64 GLN O 1 1
1 1050 1 1 64 GLN OE1 O -10.041 10.550 6.385 1.00 . A A . 64 GLN OE1 1 1
1 1051 1 1 65 GLN C C -4.217 11.927 1.051 1.00 . A A . 65 GLN C 1 1
1 1052 1 1 65 GLN CA C -4.608 11.951 2.525 1.00 . A A . 65 GLN CA 1 1
1 1053 1 1 65 GLN CB C -3.394 11.563 3.370 1.00 . A A . 65 GLN CB 1 1
1 1054 1 1 65 GLN CD C -2.292 13.323 4.752 1.00 . A A . 65 GLN CD 1 1
1 1055 1 1 65 GLN CG C -3.436 12.317 4.701 1.00 . A A . 65 GLN CG 1 1
1 1056 1 1 65 GLN H H -5.547 10.178 3.216 1.00 . A A . 65 GLN H 1 1
1 1057 1 1 65 GLN HA H -4.914 12.951 2.791 1.00 . A A . 65 GLN HA 1 1
1 1058 1 1 65 GLN HB2 H -3.411 10.499 3.557 1.00 . A A . 65 GLN HB2 1 1
1 1059 1 1 65 GLN HB3 H -2.489 11.821 2.841 1.00 . A A . 65 GLN HB3 1 1
1 1060 1 1 65 GLN HE21 H -2.927 14.174 6.430 1.00 . A A . 65 GLN HE21 1 1
1 1061 1 1 65 GLN HE22 H -1.505 14.832 5.776 1.00 . A A . 65 GLN HE22 1 1
1 1062 1 1 65 GLN HG2 H -4.378 12.837 4.790 1.00 . A A . 65 GLN HG2 1 1
1 1063 1 1 65 GLN HG3 H -3.333 11.616 5.515 1.00 . A A . 65 GLN HG3 1 1
1 1064 1 1 65 GLN N N -5.718 11.033 2.770 1.00 . A A . 65 GLN N 1 1
1 1065 1 1 65 GLN NE2 N -2.237 14.181 5.734 1.00 . A A . 65 GLN NE2 1 1
1 1066 1 1 65 GLN O O -3.804 12.940 0.486 1.00 . A A . 65 GLN O 1 1
1 1067 1 1 65 GLN OE1 O -1.424 13.332 3.878 1.00 . A A . 65 GLN OE1 1 1
1 1068 1 1 66 LEU C C -5.262 10.233 -1.776 1.00 . A A . 66 LEU C 1 1
1 1069 1 1 66 LEU CA C -4.019 10.606 -0.978 1.00 . A A . 66 LEU CA 1 1
1 1070 1 1 66 LEU CB C -2.962 9.516 -1.163 1.00 . A A . 66 LEU CB 1 1
1 1071 1 1 66 LEU CD1 C -0.929 8.306 -0.356 1.00 . A A . 66 LEU CD1 1 1
1 1072 1 1 66 LEU CD2 C -1.066 10.792 -0.154 1.00 . A A . 66 LEU CD2 1 1
1 1073 1 1 66 LEU CG C -1.865 9.488 -0.096 1.00 . A A . 66 LEU CG 1 1
1 1074 1 1 66 LEU H H -4.693 9.985 0.934 1.00 . A A . 66 LEU H 1 1
1 1075 1 1 66 LEU HA H -3.627 11.541 -1.350 1.00 . A A . 66 LEU HA 1 1
1 1076 1 1 66 LEU HB2 H -3.457 8.558 -1.160 1.00 . A A . 66 LEU HB2 1 1
1 1077 1 1 66 LEU HB3 H -2.499 9.655 -2.130 1.00 . A A . 66 LEU HB3 1 1
1 1078 1 1 66 LEU HD11 H -1.488 7.495 -0.798 1.00 . A A . 66 LEU HD11 1 1
1 1079 1 1 66 LEU HD12 H -0.143 8.611 -1.031 1.00 . A A . 66 LEU HD12 1 1
1 1080 1 1 66 LEU HD13 H -0.495 7.978 0.577 1.00 . A A . 66 LEU HD13 1 1
1 1081 1 1 66 LEU HD21 H -1.367 11.361 -1.021 1.00 . A A . 66 LEU HD21 1 1
1 1082 1 1 66 LEU HD22 H -1.254 11.369 0.739 1.00 . A A . 66 LEU HD22 1 1
1 1083 1 1 66 LEU HD23 H -0.012 10.566 -0.221 1.00 . A A . 66 LEU HD23 1 1
1 1084 1 1 66 LEU HG H -2.315 9.382 0.880 1.00 . A A . 66 LEU HG 1 1
1 1085 1 1 66 LEU N N -4.356 10.757 0.434 1.00 . A A . 66 LEU N 1 1
1 1086 1 1 66 LEU O O -6.238 9.721 -1.227 1.00 . A A . 66 LEU O 1 1
1 1087 1 1 67 PRO C C -6.411 8.703 -4.362 1.00 . A A . 67 PRO C 1 1
1 1088 1 1 67 PRO CA C -6.370 10.179 -3.966 1.00 . A A . 67 PRO CA 1 1
1 1089 1 1 67 PRO CB C -6.091 11.075 -5.169 1.00 . A A . 67 PRO CB 1 1
1 1090 1 1 67 PRO CD C -4.075 11.100 -3.752 1.00 . A A . 67 PRO CD 1 1
1 1091 1 1 67 PRO CG C -4.593 11.360 -5.172 1.00 . A A . 67 PRO CG 1 1
1 1092 1 1 67 PRO HA H -7.299 10.473 -3.507 1.00 . A A . 67 PRO HA 1 1
1 1093 1 1 67 PRO HB2 H -6.378 10.569 -6.080 1.00 . A A . 67 PRO HB2 1 1
1 1094 1 1 67 PRO HB3 H -6.636 12.001 -5.073 1.00 . A A . 67 PRO HB3 1 1
1 1095 1 1 67 PRO HD2 H -3.237 10.416 -3.773 1.00 . A A . 67 PRO HD2 1 1
1 1096 1 1 67 PRO HD3 H -3.805 12.025 -3.267 1.00 . A A . 67 PRO HD3 1 1
1 1097 1 1 67 PRO HG2 H -4.096 10.704 -5.874 1.00 . A A . 67 PRO HG2 1 1
1 1098 1 1 67 PRO HG3 H -4.415 12.390 -5.439 1.00 . A A . 67 PRO HG3 1 1
1 1099 1 1 67 PRO N N -5.236 10.489 -3.080 1.00 . A A . 67 PRO N 1 1
1 1100 1 1 67 PRO O O -6.998 7.881 -3.658 1.00 . A A . 67 PRO O 1 1
1 1101 1 1 68 VAL C C -5.125 6.912 -7.349 1.00 . A A . 68 VAL C 1 1
1 1102 1 1 68 VAL CA C -5.746 6.987 -5.952 1.00 . A A . 68 VAL CA 1 1
1 1103 1 1 68 VAL CB C -7.173 6.394 -5.956 1.00 . A A . 68 VAL CB 1 1
1 1104 1 1 68 VAL CG1 C -7.751 6.333 -7.378 1.00 . A A . 68 VAL CG1 1 1
1 1105 1 1 68 VAL CG2 C -7.132 4.982 -5.368 1.00 . A A . 68 VAL CG2 1 1
1 1106 1 1 68 VAL H H -5.315 9.062 -6.005 1.00 . A A . 68 VAL H 1 1
1 1107 1 1 68 VAL HA H -5.135 6.410 -5.272 1.00 . A A . 68 VAL HA 1 1
1 1108 1 1 68 VAL HB H -7.815 7.011 -5.346 1.00 . A A . 68 VAL HB 1 1
1 1109 1 1 68 VAL HG11 H -7.513 7.247 -7.902 1.00 . A A . 68 VAL HG11 1 1
1 1110 1 1 68 VAL HG12 H -7.322 5.494 -7.905 1.00 . A A . 68 VAL HG12 1 1
1 1111 1 1 68 VAL HG13 H -8.823 6.217 -7.326 1.00 . A A . 68 VAL HG13 1 1
1 1112 1 1 68 VAL HG21 H -6.371 4.934 -4.602 1.00 . A A . 68 VAL HG21 1 1
1 1113 1 1 68 VAL HG22 H -8.092 4.744 -4.935 1.00 . A A . 68 VAL HG22 1 1
1 1114 1 1 68 VAL HG23 H -6.902 4.273 -6.149 1.00 . A A . 68 VAL HG23 1 1
1 1115 1 1 68 VAL N N -5.775 8.371 -5.486 1.00 . A A . 68 VAL N 1 1
1 1116 1 1 68 VAL O O -5.316 7.803 -8.176 1.00 . A A . 68 VAL O 1 1
1 1117 1 1 69 THR C C -4.781 5.341 -9.965 1.00 . A A . 69 THR C 1 1
1 1118 1 1 69 THR CA C -3.740 5.654 -8.894 1.00 . A A . 69 THR CA 1 1
1 1119 1 1 69 THR CB C -2.733 4.505 -8.827 1.00 . A A . 69 THR CB 1 1
1 1120 1 1 69 THR CG2 C -2.007 4.537 -7.481 1.00 . A A . 69 THR CG2 1 1
1 1121 1 1 69 THR H H -4.263 5.159 -6.904 1.00 . A A . 69 THR H 1 1
1 1122 1 1 69 THR HA H -3.219 6.561 -9.162 1.00 . A A . 69 THR HA 1 1
1 1123 1 1 69 THR HB H -2.013 4.614 -9.620 1.00 . A A . 69 THR HB 1 1
1 1124 1 1 69 THR HG1 H -3.354 3.001 -9.892 1.00 . A A . 69 THR HG1 1 1
1 1125 1 1 69 THR HG21 H -2.341 5.392 -6.913 1.00 . A A . 69 THR HG21 1 1
1 1126 1 1 69 THR HG22 H -2.225 3.633 -6.933 1.00 . A A . 69 THR HG22 1 1
1 1127 1 1 69 THR HG23 H -0.943 4.609 -7.648 1.00 . A A . 69 THR HG23 1 1
1 1128 1 1 69 THR N N -4.382 5.838 -7.599 1.00 . A A . 69 THR N 1 1
1 1129 1 1 69 THR O O -5.293 4.225 -10.047 1.00 . A A . 69 THR O 1 1
1 1130 1 1 69 THR OG1 O -3.417 3.269 -8.972 1.00 . A A . 69 THR OG1 1 1
1 1131 1 1 70 ALA C C -5.467 6.545 -13.198 1.00 . A A . 70 ALA C 1 1
1 1132 1 1 70 ALA CA C -6.070 6.168 -11.849 1.00 . A A . 70 ALA CA 1 1
1 1133 1 1 70 ALA CB C -7.301 7.039 -11.591 1.00 . A A . 70 ALA CB 1 1
1 1134 1 1 70 ALA H H -4.650 7.209 -10.673 1.00 . A A . 70 ALA H 1 1
1 1135 1 1 70 ALA HA H -6.374 5.135 -11.876 1.00 . A A . 70 ALA HA 1 1
1 1136 1 1 70 ALA HB1 H -7.899 7.092 -12.489 1.00 . A A . 70 ALA HB1 1 1
1 1137 1 1 70 ALA HB2 H -7.887 6.607 -10.794 1.00 . A A . 70 ALA HB2 1 1
1 1138 1 1 70 ALA HB3 H -6.986 8.033 -11.309 1.00 . A A . 70 ALA HB3 1 1
1 1139 1 1 70 ALA N N -5.088 6.343 -10.785 1.00 . A A . 70 ALA N 1 1
1 1140 1 1 70 ALA O O -5.292 7.723 -13.509 1.00 . A A . 70 ALA O 1 1
1 1141 1 1 71 ARG C C -4.455 4.449 -16.085 1.00 . A A . 71 ARG C 1 1
1 1142 1 1 71 ARG CA C -4.569 5.760 -15.315 1.00 . A A . 71 ARG CA 1 1
1 1143 1 1 71 ARG CB C -3.177 6.382 -15.183 1.00 . A A . 71 ARG CB 1 1
1 1144 1 1 71 ARG CD C -3.767 8.060 -16.938 1.00 . A A . 71 ARG CD 1 1
1 1145 1 1 71 ARG CG C -2.758 6.987 -16.524 1.00 . A A . 71 ARG CG 1 1
1 1146 1 1 71 ARG CZ C -5.829 8.186 -18.216 1.00 . A A . 71 ARG CZ 1 1
1 1147 1 1 71 ARG H H -5.315 4.610 -13.695 1.00 . A A . 71 ARG H 1 1
1 1148 1 1 71 ARG HA H -5.203 6.438 -15.866 1.00 . A A . 71 ARG HA 1 1
1 1149 1 1 71 ARG HB2 H -3.199 7.156 -14.429 1.00 . A A . 71 ARG HB2 1 1
1 1150 1 1 71 ARG HB3 H -2.468 5.620 -14.896 1.00 . A A . 71 ARG HB3 1 1
1 1151 1 1 71 ARG HD2 H -4.309 8.394 -16.067 1.00 . A A . 71 ARG HD2 1 1
1 1152 1 1 71 ARG HD3 H -3.238 8.897 -17.370 1.00 . A A . 71 ARG HD3 1 1
1 1153 1 1 71 ARG HE H -4.523 6.673 -18.355 1.00 . A A . 71 ARG HE 1 1
1 1154 1 1 71 ARG HG2 H -1.778 7.431 -16.428 1.00 . A A . 71 ARG HG2 1 1
1 1155 1 1 71 ARG HG3 H -2.731 6.212 -17.276 1.00 . A A . 71 ARG HG3 1 1
1 1156 1 1 71 ARG HH11 H -5.454 9.703 -16.965 1.00 . A A . 71 ARG HH11 1 1
1 1157 1 1 71 ARG HH12 H -6.931 9.820 -17.863 1.00 . A A . 71 ARG HH12 1 1
1 1158 1 1 71 ARG HH21 H -6.459 6.820 -19.537 1.00 . A A . 71 ARG HH21 1 1
1 1159 1 1 71 ARG HH22 H -7.500 8.187 -19.319 1.00 . A A . 71 ARG HH22 1 1
1 1160 1 1 71 ARG N N -5.153 5.529 -13.996 1.00 . A A . 71 ARG N 1 1
1 1161 1 1 71 ARG NE N -4.713 7.528 -17.915 1.00 . A A . 71 ARG NE 1 1
1 1162 1 1 71 ARG NH1 N -6.092 9.325 -17.636 1.00 . A A . 71 ARG NH1 1 1
1 1163 1 1 71 ARG NH2 N -6.661 7.692 -19.092 1.00 . A A . 71 ARG NH2 1 1
1 1164 1 1 71 ARG O O -4.608 4.480 -17.295 1.00 . A A . 71 ARG O 1 1
1 1165 1 1 71 ARG OXT O -4.218 3.432 -15.452 1.00 . A A . 71 ARG OXT 1 1
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