NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
595062 |
2muf   |
25209 | cing | 4-filtered-FRED | STAR | entry | full | 221 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2muf
# This FRED archive file contains, for PDB entry <2muf>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_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_2muf
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2muf
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2409.62
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 $TRSP A . 1 1
stop_
save_
save_TRSP
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name TRSP
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code SDVRYNKSFINNRLLNEHAH
_Entity.Number_of_monomers 20
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 SER . 1 1
2 ASP . 1 1
3 VAL . 1 1
4 ARG . 1 1
5 TYR . 1 1
6 ASN . 1 1
7 LYS . 1 1
8 SER . 1 1
9 PHE . 1 1
10 ILE . 1 1
11 ASN . 1 1
12 ASN . 1 1
13 ARG . 1 1
14 LEU . 1 1
15 LEU . 1 1
16 ASN . 1 1
17 GLU . 1 1
18 HIS . 1 1
19 ALA . 1 1
20 HIS . 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
SER 1 1 1 1
ASP 2 2 1 1
VAL 3 3 1 1
ARG 4 4 1 1
TYR 5 5 1 1
ASN 6 6 1 1
LYS 7 7 1 1
SER 8 8 1 1
PHE 9 9 1 1
ILE 10 10 1 1
ASN 11 11 1 1
ASN 12 12 1 1
ARG 13 13 1 1
LEU 14 14 1 1
LEU 15 15 1 1
ASN 16 16 1 1
GLU 17 17 1 1
HIS 18 18 1 1
ALA 19 19 1 1
HIS 20 20 1 1
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 SER HA 1 1 SER HA 1 1
1 1 2 1 1 2 ASP H 1 2 ASP HN 1 1
2 1 1 1 1 2 ASP H 1 2 ASP HN 1 1
2 1 2 1 1 2 ASP HA 1 2 ASP HA 1 1
3 1 1 1 1 2 ASP H 1 2 ASP HN 1 1
3 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1
4 1 1 1 1 2 ASP H 1 2 ASP HN 1 1
4 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1
5 1 1 1 1 2 ASP H 1 2 ASP HN 1 1
5 1 2 1 1 3 VAL H 1 3 VAL HN 1 1
6 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1
6 1 2 1 1 2 ASP HB2 1 2 ASP HBS 1 1
7 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1
7 1 2 1 1 2 ASP HB3 1 2 ASP HBR 1 1
8 1 1 1 1 2 ASP HA 1 2 ASP HA 1 1
8 1 2 1 1 3 VAL H 1 3 VAL HN 1 1
9 1 1 1 1 3 VAL H 1 3 VAL HN 1 1
9 1 2 1 1 3 VAL HA 1 3 VAL HA 1 1
10 1 1 1 1 3 VAL H 1 3 VAL HN 1 1
10 1 2 1 1 3 VAL HB 1 3 VAL HB 1 1
11 1 1 1 1 3 VAL H 1 3 VAL HN 1 1
11 1 2 1 1 3 VAL MG1 1 3 VAL HGR* 1 1
12 1 1 1 1 3 VAL H 1 3 VAL HN 1 1
12 1 2 1 1 3 VAL MG2 1 3 VAL HGS* 1 1
13 1 1 1 1 3 VAL H 1 3 VAL HN 1 1
13 1 2 1 1 4 ARG H 1 4 ARG HN 1 1
14 1 1 1 1 3 VAL HA 1 3 VAL HA 1 1
14 1 2 1 1 3 VAL HB 1 3 VAL HB 1 1
15 1 1 1 1 3 VAL HA 1 3 VAL HA 1 1
15 1 2 1 1 3 VAL MG1 1 3 VAL HGR* 1 1
16 1 1 1 1 3 VAL HA 1 3 VAL HA 1 1
16 1 2 1 1 3 VAL MG2 1 3 VAL HGS* 1 1
17 1 1 1 1 3 VAL HA 1 3 VAL HA 1 1
17 1 2 1 1 4 ARG H 1 4 ARG HN 1 1
18 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
18 1 2 1 1 4 ARG HA 1 4 ARG HA 1 1
19 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
19 1 2 1 1 4 ARG HB2 1 4 ARG HBR 1 1
20 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
20 1 2 1 1 4 ARG HB3 1 4 ARG HBS 1 1
21 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
21 1 2 1 1 4 ARG QG 1 4 ARG HG* 1 1
22 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
22 1 2 1 1 5 TYR H 1 5 TYR HN 1 1
23 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
23 1 2 1 1 4 ARG HB2 1 4 ARG HBR 1 1
24 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
24 1 2 1 1 4 ARG HB3 1 4 ARG HBS 1 1
25 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
25 1 2 1 1 4 ARG QD 1 4 ARG HD* 1 1
26 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
26 1 2 1 1 4 ARG QG 1 4 ARG HG* 1 1
27 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
27 1 2 1 1 5 TYR H 1 5 TYR HN 1 1
28 1 1 1 1 5 TYR H 1 5 TYR HN 1 1
28 1 2 1 1 5 TYR HA 1 5 TYR HA 1 1
29 1 1 1 1 5 TYR H 1 5 TYR HN 1 1
29 1 2 1 1 5 TYR HB2 1 5 TYR HBR 1 1
30 1 1 1 1 5 TYR H 1 5 TYR HN 1 1
30 1 2 1 1 5 TYR HB3 1 5 TYR HBS 1 1
31 1 1 1 1 5 TYR H 1 5 TYR HN 1 1
31 1 2 1 1 6 ASN H 1 6 ASN HN 1 1
32 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1
32 1 2 1 1 5 TYR HB2 1 5 TYR HBR 1 1
33 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1
33 1 2 1 1 5 TYR HB3 1 5 TYR HBS 1 1
34 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1
34 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1
35 1 1 1 1 5 TYR HA 1 5 TYR HA 1 1
35 1 2 1 1 6 ASN H 1 6 ASN HN 1 1
36 1 1 1 1 5 TYR HB2 1 5 TYR HBR 1 1
36 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1
37 1 1 1 1 5 TYR HB2 1 5 TYR HBR 1 1
37 1 2 1 1 6 ASN H 1 6 ASN HN 1 1
38 1 1 1 1 5 TYR HB3 1 5 TYR HBS 1 1
38 1 2 1 1 5 TYR QD 1 5 TYR HD* 1 1
39 1 1 1 1 5 TYR HB3 1 5 TYR HBS 1 1
39 1 2 1 1 6 ASN H 1 6 ASN HN 1 1
40 1 1 1 1 6 ASN H 1 6 ASN HN 1 1
40 1 2 1 1 6 ASN HA 1 6 ASN HA 1 1
41 1 1 1 1 6 ASN H 1 6 ASN HN 1 1
41 1 2 1 1 6 ASN HB2 1 6 ASN HBS 1 1
42 1 1 1 1 6 ASN H 1 6 ASN HN 1 1
42 1 2 1 1 6 ASN HB3 1 6 ASN HBR 1 1
43 1 1 1 1 6 ASN H 1 6 ASN HN 1 1
43 1 2 1 1 7 LYS H 1 7 LYS HN 1 1
44 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
44 1 2 1 1 6 ASN HB2 1 6 ASN HBS 1 1
45 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
45 1 2 1 1 6 ASN HB3 1 6 ASN HBR 1 1
46 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
46 1 2 1 1 6 ASN HD21 1 6 ASN HD22 1 1
47 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
47 1 2 1 1 7 LYS H 1 7 LYS HN 1 1
48 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
48 1 2 1 1 8 SER H 1 8 SER HN 1 1
49 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
49 1 2 1 1 9 PHE H 1 9 PHE HN 1 1
50 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1
50 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
51 1 1 1 1 6 ASN HB2 1 6 ASN HBS 1 1
51 1 2 1 1 6 ASN HD21 1 6 ASN HD22 1 1
52 1 1 1 1 6 ASN HB2 1 6 ASN HBS 1 1
52 1 2 1 1 7 LYS H 1 7 LYS HN 1 1
53 1 1 1 1 6 ASN HB3 1 6 ASN HBR 1 1
53 1 2 1 1 6 ASN HD21 1 6 ASN HD22 1 1
54 1 1 1 1 6 ASN HB3 1 6 ASN HBR 1 1
54 1 2 1 1 7 LYS H 1 7 LYS HN 1 1
55 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
55 1 2 1 1 7 LYS HA 1 7 LYS HA 1 1
56 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
56 1 2 1 1 7 LYS QB 1 7 LYS HB* 1 1
57 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
57 1 2 1 1 7 LYS QD 1 7 LYS HD* 1 1
58 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
58 1 2 1 1 7 LYS HG2 1 7 LYS HGR 1 1
59 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
59 1 2 1 1 7 LYS HG3 1 7 LYS HGS 1 1
60 1 1 1 1 7 LYS H 1 7 LYS HN 1 1
60 1 2 1 1 8 SER H 1 8 SER HN 1 1
61 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
61 1 2 1 1 7 LYS QD 1 7 LYS HD* 1 1
62 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
62 1 2 1 1 7 LYS QE 1 7 LYS HE* 1 1
63 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
63 1 2 1 1 7 LYS HG2 1 7 LYS HGR 1 1
64 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
64 1 2 1 1 7 LYS HG3 1 7 LYS HGS 1 1
65 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
65 1 2 1 1 8 SER H 1 8 SER HN 1 1
66 1 1 1 1 7 LYS HA 1 7 LYS HA 1 1
66 1 2 1 1 9 PHE H 1 9 PHE HN 1 1
67 1 1 1 1 7 LYS QB 1 7 LYS HB* 1 1
67 1 2 1 1 8 SER H 1 8 SER HN 1 1
68 1 1 1 1 8 SER H 1 8 SER HN 1 1
68 1 2 1 1 8 SER HA 1 8 SER HA 1 1
69 1 1 1 1 8 SER H 1 8 SER HN 1 1
69 1 2 1 1 8 SER QB 1 8 SER HB* 1 1
70 1 1 1 1 8 SER H 1 8 SER HN 1 1
70 1 2 1 1 9 PHE H 1 9 PHE HN 1 1
71 1 1 1 1 8 SER HA 1 8 SER HA 1 1
71 1 2 1 1 9 PHE H 1 9 PHE HN 1 1
72 1 1 1 1 8 SER HA 1 8 SER HA 1 1
72 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
73 1 1 1 1 8 SER HA 1 8 SER HA 1 1
73 1 2 1 1 11 ASN H 1 11 ASN HN 1 1
74 1 1 1 1 8 SER HA 1 8 SER HA 1 1
74 1 2 1 1 12 ASN H 1 12 ASN HN 1 1
75 1 1 1 1 9 PHE H 1 9 PHE HN 1 1
75 1 2 1 1 9 PHE HA 1 9 PHE HA 1 1
76 1 1 1 1 9 PHE H 1 9 PHE HN 1 1
76 1 2 1 1 9 PHE HB2 1 9 PHE HBR 1 1
77 1 1 1 1 9 PHE H 1 9 PHE HN 1 1
77 1 2 1 1 9 PHE HB3 1 9 PHE HBS 1 1
78 1 1 1 1 9 PHE H 1 9 PHE HN 1 1
78 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
79 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
79 1 2 1 1 9 PHE HB2 1 9 PHE HBR 1 1
80 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
80 1 2 1 1 9 PHE HB3 1 9 PHE HBS 1 1
81 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
81 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1
82 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
82 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
83 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
83 1 2 1 1 11 ASN H 1 11 ASN HN 1 1
84 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
84 1 2 1 1 12 ASN H 1 12 ASN HN 1 1
85 1 1 1 1 9 PHE HA 1 9 PHE HA 1 1
85 1 2 1 1 13 ARG H 1 13 ARG HN 1 1
86 1 1 1 1 9 PHE HB2 1 9 PHE HBR 1 1
86 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1
87 1 1 1 1 9 PHE HB2 1 9 PHE HBR 1 1
87 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
88 1 1 1 1 9 PHE HB3 1 9 PHE HBS 1 1
88 1 2 1 1 9 PHE QD 1 9 PHE HD* 1 1
89 1 1 1 1 9 PHE HB3 1 9 PHE HBS 1 1
89 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
90 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
90 1 2 1 1 10 ILE HA 1 10 ILE HA 1 1
91 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
91 1 2 1 1 10 ILE HB 1 10 ILE HB 1 1
92 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
92 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1
93 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
93 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1
94 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
94 1 2 1 1 10 ILE MG 1 10 ILE HG2* 1 1
95 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
95 1 2 1 1 11 ASN H 1 11 ASN HN 1 1
96 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
96 1 2 1 1 10 ILE HB 1 10 ILE HB 1 1
97 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
97 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1
98 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
98 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1
99 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
99 1 2 1 1 10 ILE MG 1 10 ILE HG2* 1 1
100 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
100 1 2 1 1 11 ASN H 1 11 ASN HN 1 1
101 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
101 1 2 1 1 13 ARG H 1 13 ARG HN 1 1
102 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
102 1 2 1 1 13 ARG QB 1 13 ARG HB* 1 1
103 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
103 1 2 1 1 13 ARG QG 1 13 ARG HG* 1 1
104 1 1 1 1 10 ILE HB 1 10 ILE HB 1 1
104 1 2 1 1 11 ASN H 1 11 ASN HN 1 1
105 1 1 1 1 10 ILE HB 1 10 ILE HB 1 1
105 1 2 1 1 12 ASN H 1 12 ASN HN 1 1
106 1 1 1 1 11 ASN H 1 11 ASN HN 1 1
106 1 2 1 1 11 ASN HA 1 11 ASN HA 1 1
107 1 1 1 1 11 ASN H 1 11 ASN HN 1 1
107 1 2 1 1 11 ASN QB 1 11 ASN HB* 1 1
108 1 1 1 1 11 ASN H 1 11 ASN HN 1 1
108 1 2 1 1 12 ASN H 1 12 ASN HN 1 1
109 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1
109 1 2 1 1 11 ASN HD21 1 11 ASN HD22 1 1
110 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1
110 1 2 1 1 12 ASN H 1 12 ASN HN 1 1
111 1 1 1 1 11 ASN HA 1 11 ASN HA 1 1
111 1 2 1 1 14 LEU QB 1 14 LEU HB* 1 1
112 1 1 1 1 11 ASN QB 1 11 ASN HB* 1 1
112 1 2 1 1 11 ASN HD21 1 11 ASN HD22 1 1
113 1 1 1 1 12 ASN H 1 12 ASN HN 1 1
113 1 2 1 1 12 ASN HA 1 12 ASN HA 1 1
114 1 1 1 1 12 ASN H 1 12 ASN HN 1 1
114 1 2 1 1 12 ASN QB 1 12 ASN HB* 1 1
115 1 1 1 1 12 ASN H 1 12 ASN HN 1 1
115 1 2 1 1 13 ARG H 1 13 ARG HN 1 1
116 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1
116 1 2 1 1 12 ASN HD21 1 12 ASN HD22 1 1
117 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1
117 1 2 1 1 13 ARG H 1 13 ARG HN 1 1
118 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1
118 1 2 1 1 14 LEU H 1 14 LEU HN 1 1
119 1 1 1 1 12 ASN HA 1 12 ASN HA 1 1
119 1 2 1 1 16 ASN H 1 16 ASN HN 1 1
120 1 1 1 1 12 ASN QB 1 12 ASN HB* 1 1
120 1 2 1 1 12 ASN HD21 1 12 ASN HD22 1 1
121 1 1 1 1 12 ASN QB 1 12 ASN HB* 1 1
121 1 2 1 1 13 ARG H 1 13 ARG HN 1 1
122 1 1 1 1 13 ARG H 1 13 ARG HN 1 1
122 1 2 1 1 13 ARG HA 1 13 ARG HA 1 1
123 1 1 1 1 13 ARG H 1 13 ARG HN 1 1
123 1 2 1 1 13 ARG QB 1 13 ARG HB* 1 1
124 1 1 1 1 13 ARG H 1 13 ARG HN 1 1
124 1 2 1 1 13 ARG QG 1 13 ARG HG* 1 1
125 1 1 1 1 13 ARG H 1 13 ARG HN 1 1
125 1 2 1 1 14 LEU H 1 14 LEU HN 1 1
126 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
126 1 2 1 1 13 ARG QD 1 13 ARG HD* 1 1
127 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
127 1 2 1 1 13 ARG QG 1 13 ARG HG* 1 1
128 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
128 1 2 1 1 14 LEU H 1 14 LEU HN 1 1
129 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
129 1 2 1 1 15 LEU H 1 15 LEU HN 1 1
130 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
130 1 2 1 1 16 ASN H 1 16 ASN HN 1 1
131 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
131 1 2 1 1 16 ASN HB2 1 16 ASN HBS 1 1
132 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
132 1 2 1 1 16 ASN HB3 1 16 ASN HBR 1 1
133 1 1 1 1 13 ARG HA 1 13 ARG HA 1 1
133 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
134 1 1 1 1 13 ARG QB 1 13 ARG HB* 1 1
134 1 2 1 1 14 LEU H 1 14 LEU HN 1 1
135 1 1 1 1 14 LEU H 1 14 LEU HN 1 1
135 1 2 1 1 14 LEU HA 1 14 LEU HA 1 1
136 1 1 1 1 14 LEU H 1 14 LEU HN 1 1
136 1 2 1 1 14 LEU QB 1 14 LEU HB* 1 1
137 1 1 1 1 14 LEU H 1 14 LEU HN 1 1
137 1 2 1 1 14 LEU QD 1 14 LEU HDR* 1 1
138 1 1 1 1 14 LEU H 1 14 LEU HN 1 1
138 1 2 1 1 15 LEU H 1 15 LEU HN 1 1
139 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
139 1 2 1 1 14 LEU QD 1 14 LEU HDR* 1 1
140 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
140 1 2 1 1 15 LEU H 1 15 LEU HN 1 1
141 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
141 1 2 1 1 16 ASN H 1 16 ASN HN 1 1
142 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
142 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
143 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
143 1 2 1 1 17 GLU QB 1 17 GLU HB* 1 1
144 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
144 1 2 1 1 17 GLU HG2 1 17 GLU HGS 1 1
145 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
145 1 2 1 1 17 GLU HG3 1 17 GLU HGR 1 1
146 1 1 1 1 14 LEU HA 1 14 LEU HA 1 1
146 1 2 1 1 18 HIS H 1 18 HIS HN 1 1
147 1 1 1 1 14 LEU QB 1 14 LEU HB* 1 1
147 1 2 1 1 15 LEU H 1 15 LEU HN 1 1
148 1 1 1 1 15 LEU H 1 15 LEU HN 1 1
148 1 2 1 1 15 LEU HA 1 15 LEU HA 1 1
149 1 1 1 1 15 LEU H 1 15 LEU HN 1 1
149 1 2 1 1 15 LEU QB 1 15 LEU HB* 1 1
150 1 1 1 1 15 LEU H 1 15 LEU HN 1 1
150 1 2 1 1 15 LEU MD1 1 15 LEU HDR* 1 1
151 1 1 1 1 15 LEU H 1 15 LEU HN 1 1
151 1 2 1 1 15 LEU MD2 1 15 LEU HDS* 1 1
152 1 1 1 1 15 LEU H 1 15 LEU HN 1 1
152 1 2 1 1 16 ASN H 1 16 ASN HN 1 1
153 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
153 1 2 1 1 15 LEU MD1 1 15 LEU HDR* 1 1
154 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
154 1 2 1 1 15 LEU MD2 1 15 LEU HDS* 1 1
155 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
155 1 2 1 1 16 ASN H 1 16 ASN HN 1 1
156 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
156 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
157 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
157 1 2 1 1 18 HIS H 1 18 HIS HN 1 1
158 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
158 1 2 1 1 18 HIS HB2 1 18 HIS HBS 1 1
159 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
159 1 2 1 1 18 HIS HB3 1 18 HIS HBR 1 1
160 1 1 1 1 15 LEU HA 1 15 LEU HA 1 1
160 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
161 1 1 1 1 16 ASN H 1 16 ASN HN 1 1
161 1 2 1 1 16 ASN HA 1 16 ASN HA 1 1
162 1 1 1 1 16 ASN H 1 16 ASN HN 1 1
162 1 2 1 1 16 ASN HB2 1 16 ASN HBS 1 1
163 1 1 1 1 16 ASN H 1 16 ASN HN 1 1
163 1 2 1 1 16 ASN HB3 1 16 ASN HBR 1 1
164 1 1 1 1 16 ASN H 1 16 ASN HN 1 1
164 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
165 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
165 1 2 1 1 16 ASN HB2 1 16 ASN HBS 1 1
166 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
166 1 2 1 1 16 ASN HB3 1 16 ASN HBR 1 1
167 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
167 1 2 1 1 16 ASN HD21 1 16 ASN HD22 1 1
168 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
168 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
169 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
169 1 2 1 1 18 HIS H 1 18 HIS HN 1 1
170 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
170 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
171 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
171 1 2 1 1 19 ALA MB 1 19 ALA HB* 1 1
172 1 1 1 1 16 ASN HA 1 16 ASN HA 1 1
172 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
173 1 1 1 1 16 ASN HB2 1 16 ASN HBS 1 1
173 1 2 1 1 16 ASN HD21 1 16 ASN HD22 1 1
174 1 1 1 1 16 ASN HB2 1 16 ASN HBS 1 1
174 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
175 1 1 1 1 16 ASN HB3 1 16 ASN HBR 1 1
175 1 2 1 1 16 ASN HD21 1 16 ASN HD22 1 1
176 1 1 1 1 16 ASN HB3 1 16 ASN HBR 1 1
176 1 2 1 1 17 GLU H 1 17 GLU HN 1 1
177 1 1 1 1 17 GLU H 1 17 GLU HN 1 1
177 1 2 1 1 17 GLU HA 1 17 GLU HA 1 1
178 1 1 1 1 17 GLU H 1 17 GLU HN 1 1
178 1 2 1 1 17 GLU QB 1 17 GLU HB* 1 1
179 1 1 1 1 17 GLU H 1 17 GLU HN 1 1
179 1 2 1 1 17 GLU HG2 1 17 GLU HGS 1 1
180 1 1 1 1 17 GLU H 1 17 GLU HN 1 1
180 1 2 1 1 17 GLU HG3 1 17 GLU HGR 1 1
181 1 1 1 1 17 GLU H 1 17 GLU HN 1 1
181 1 2 1 1 18 HIS H 1 18 HIS HN 1 1
182 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1
182 1 2 1 1 17 GLU HG2 1 17 GLU HGS 1 1
183 1 1 1 1 17 GLU HA 1 17 GLU HA 1 1
183 1 2 1 1 18 HIS H 1 18 HIS HN 1 1
184 1 1 1 1 18 HIS H 1 18 HIS HN 1 1
184 1 2 1 1 18 HIS HA 1 18 HIS HA 1 1
185 1 1 1 1 18 HIS H 1 18 HIS HN 1 1
185 1 2 1 1 18 HIS HB2 1 18 HIS HBS 1 1
186 1 1 1 1 18 HIS H 1 18 HIS HN 1 1
186 1 2 1 1 18 HIS HB3 1 18 HIS HBR 1 1
187 1 1 1 1 18 HIS H 1 18 HIS HN 1 1
187 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
188 1 1 1 1 18 HIS HA 1 18 HIS HA 1 1
188 1 2 1 1 18 HIS HB2 1 18 HIS HBS 1 1
189 1 1 1 1 18 HIS HA 1 18 HIS HA 1 1
189 1 2 1 1 18 HIS HB3 1 18 HIS HBR 1 1
190 1 1 1 1 18 HIS HA 1 18 HIS HA 1 1
190 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
191 1 1 1 1 18 HIS HB2 1 18 HIS HBS 1 1
191 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
192 1 1 1 1 18 HIS HB3 1 18 HIS HBR 1 1
192 1 2 1 1 19 ALA H 1 19 ALA HN 1 1
193 1 1 1 1 19 ALA H 1 19 ALA HN 1 1
193 1 2 1 1 19 ALA HA 1 19 ALA HA 1 1
194 1 1 1 1 19 ALA H 1 19 ALA HN 1 1
194 1 2 1 1 19 ALA MB 1 19 ALA HB* 1 1
195 1 1 1 1 19 ALA H 1 19 ALA HN 1 1
195 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
196 1 1 1 1 19 ALA HA 1 19 ALA HA 1 1
196 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
197 1 1 1 1 19 ALA MB 1 19 ALA HB* 1 1
197 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
198 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
198 1 2 1 1 20 HIS HA 1 20 HIS HA 1 1
199 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
199 1 2 1 1 20 HIS HB2 1 20 HIS HBS 1 1
200 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
200 1 2 1 1 20 HIS HB3 1 20 HIS HBR 1 1
201 1 1 1 1 20 HIS HA 1 20 HIS HA 1 1
201 1 2 1 1 20 HIS HB2 1 20 HIS HBS 1 1
202 1 1 1 1 20 HIS HA 1 20 HIS HA 1 1
202 1 2 1 1 20 HIS HB3 1 20 HIS HBR 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 2.8 1 1
2 1 . . . . . 2.8 1.8 2.8 1 1
3 1 . . . . . 2.8 1.8 2.8 1 1
4 1 . . . . . 3.5 2.8 3.5 1 1
5 1 . . . . . 2.8 1.8 2.8 1 1
6 1 . . . . . 2.8 1.8 2.8 1 1
7 1 . . . . . 2.8 1.8 2.8 1 1
8 1 . . . . . 2.8 1.8 2.8 1 1
9 1 . . . . . 2.8 1.8 2.8 1 1
10 1 . . . . . 3.5 2.8 3.5 1 1
11 1 . . . . . 2.8 1.8 3.8 1 1
12 1 . . . . . 2.8 1.8 3.8 1 1
13 1 . . . . . 3.5 2.8 3.5 1 1
14 1 . . . . . 2.8 1.8 2.8 1 1
15 1 . . . . . 2.8 1.8 3.8 1 1
16 1 . . . . . 2.8 1.8 3.8 1 1
17 1 . . . . . 3.5 2.8 3.5 1 1
18 1 . . . . . 2.8 1.8 2.8 1 1
19 1 . . . . . 3.5 2.8 3.5 1 1
20 1 . . . . . 2.8 1.8 2.8 1 1
21 1 . . . . . 3.5 2.8 4.5 1 1
22 1 . . . . . 2.8 1.8 2.8 1 1
23 1 . . . . . 2.8 1.8 2.8 1 1
24 1 . . . . . 2.8 1.8 2.8 1 1
25 1 . . . . . 3.5 2.8 4.5 1 1
26 1 . . . . . 2.8 1.8 3.8 1 1
27 1 . . . . . 3.5 2.8 3.5 1 1
28 1 . . . . . 2.8 1.8 2.8 1 1
29 1 . . . . . 2.8 1.8 2.8 1 1
30 1 . . . . . 2.8 1.8 2.8 1 1
31 1 . . . . . 2.8 1.8 2.8 1 1
32 1 . . . . . 2.8 1.8 2.8 1 1
33 1 . . . . . 2.8 1.8 2.8 1 1
34 1 . . . . . 2.8 1.8 4.8 1 1
35 1 . . . . . 3.5 2.8 3.5 1 1
36 1 . . . . . 2.8 1.8 4.8 1 1
37 1 . . . . . 3.5 2.8 3.5 1 1
38 1 . . . . . 2.8 1.8 4.8 1 1
39 1 . . . . . 3.5 2.8 3.5 1 1
40 1 . . . . . 3.5 2.8 3.5 1 1
41 1 . . . . . 3.5 2.8 3.5 1 1
42 1 . . . . . 3.5 2.8 3.5 1 1
43 1 . . . . . 2.8 1.8 2.8 1 1
44 1 . . . . . 3.5 2.8 3.5 1 1
45 1 . . . . . 3.5 2.8 3.5 1 1
46 1 . . . . . 2.8 1.8 2.8 1 1
47 1 . . . . . 3.5 2.8 3.5 1 1
48 1 . . . . . 3.5 2.8 3.5 1 1
49 1 . . . . . 3.5 2.8 3.5 1 1
50 1 . . . . . 3.5 2.8 3.5 1 1
51 1 . . . . . 3.5 2.8 3.5 1 1
52 1 . . . . . 3.5 2.8 3.5 1 1
53 1 . . . . . 2.8 1.8 2.8 1 1
54 1 . . . . . 2.8 1.8 2.8 1 1
55 1 . . . . . 2.8 1.8 2.8 1 1
56 1 . . . . . 2.8 1.8 3.8 1 1
57 1 . . . . . 2.8 1.8 3.8 1 1
58 1 . . . . . 5.0 3.5 5.0 1 1
59 1 . . . . . 3.5 2.8 3.5 1 1
60 1 . . . . . 2.8 1.8 2.8 1 1
61 1 . . . . . 3.5 2.8 4.5 1 1
62 1 . . . . . 2.8 1.8 3.8 1 1
63 1 . . . . . 3.5 2.8 3.5 1 1
64 1 . . . . . 2.8 1.8 2.8 1 1
65 1 . . . . . 3.5 2.8 3.5 1 1
66 1 . . . . . 5.0 3.5 5.0 1 1
67 1 . . . . . 2.8 1.8 3.8 1 1
68 1 . . . . . 2.8 1.8 2.8 1 1
69 1 . . . . . 2.8 1.8 3.8 1 1
70 1 . . . . . 2.8 1.8 2.8 1 1
71 1 . . . . . 2.8 1.8 2.8 1 1
72 1 . . . . . 3.5 2.8 3.5 1 1
73 1 . . . . . 2.8 1.8 2.8 1 1
74 1 . . . . . 3.5 2.8 3.5 1 1
75 1 . . . . . 2.8 1.8 2.8 1 1
76 1 . . . . . 2.8 1.8 2.8 1 1
77 1 . . . . . 2.8 1.8 2.8 1 1
78 1 . . . . . 2.8 1.8 2.8 1 1
79 1 . . . . . 2.8 1.8 2.8 1 1
80 1 . . . . . 3.5 2.8 3.5 1 1
81 1 . . . . . 2.8 1.8 4.8 1 1
82 1 . . . . . 3.5 2.8 3.5 1 1
83 1 . . . . . 5.0 3.5 5.0 1 1
84 1 . . . . . 5.0 3.5 5.0 1 1
85 1 . . . . . 5.0 3.5 5.0 1 1
86 1 . . . . . 2.8 1.8 4.8 1 1
87 1 . . . . . 3.5 2.8 3.5 1 1
88 1 . . . . . 2.8 1.8 4.8 1 1
89 1 . . . . . 2.8 1.8 2.8 1 1
90 1 . . . . . 2.8 1.8 2.8 1 1
91 1 . . . . . 2.8 1.8 2.8 1 1
92 1 . . . . . 2.8 1.8 2.8 1 1
93 1 . . . . . 3.5 2.8 3.5 1 1
94 1 . . . . . 3.5 2.8 4.5 1 1
95 1 . . . . . 2.8 1.8 2.8 1 1
96 1 . . . . . 2.8 1.8 2.8 1 1
97 1 . . . . . 2.8 1.8 2.8 1 1
98 1 . . . . . 3.5 2.8 3.5 1 1
99 1 . . . . . 2.8 1.8 3.8 1 1
100 1 . . . . . 3.5 2.8 3.5 1 1
101 1 . . . . . 3.5 2.8 3.5 1 1
102 1 . . . . . 2.8 1.8 3.8 1 1
103 1 . . . . . 2.8 1.8 3.8 1 1
104 1 . . . . . 3.5 2.8 3.5 1 1
105 1 . . . . . 5.0 3.5 5.0 1 1
106 1 . . . . . 3.5 2.8 3.5 1 1
107 1 . . . . . 2.8 1.8 3.8 1 1
108 1 . . . . . 2.8 1.8 2.8 1 1
109 1 . . . . . 2.8 1.8 2.8 1 1
110 1 . . . . . 3.5 2.8 3.5 1 1
111 1 . . . . . 3.5 2.8 4.5 1 1
112 1 . . . . . 2.8 1.8 3.8 1 1
113 1 . . . . . 3.5 2.8 3.5 1 1
114 1 . . . . . 2.8 1.8 3.8 1 1
115 1 . . . . . 2.8 1.8 2.8 1 1
116 1 . . . . . 2.8 1.8 2.8 1 1
117 1 . . . . . 3.5 2.8 3.5 1 1
118 1 . . . . . 5.0 3.5 5.0 1 1
119 1 . . . . . 5.0 3.5 5.0 1 1
120 1 . . . . . 2.8 1.8 3.8 1 1
121 1 . . . . . 3.5 2.8 4.5 1 1
122 1 . . . . . 2.8 1.8 2.8 1 1
123 1 . . . . . 2.8 1.8 3.8 1 1
124 1 . . . . . 2.8 1.8 3.8 1 1
125 1 . . . . . 3.5 2.8 3.5 1 1
126 1 . . . . . 2.8 1.8 3.8 1 1
127 1 . . . . . 2.8 1.8 3.8 1 1
128 1 . . . . . 3.5 2.8 3.5 1 1
129 1 . . . . . 5.0 3.5 5.0 1 1
130 1 . . . . . 2.8 1.8 2.8 1 1
131 1 . . . . . 3.5 2.8 3.5 1 1
132 1 . . . . . 2.8 1.8 2.8 1 1
133 1 . . . . . 5.0 3.5 5.0 1 1
134 1 . . . . . 2.8 1.8 3.8 1 1
135 1 . . . . . 2.8 1.8 2.8 1 1
136 1 . . . . . 2.8 1.8 3.8 1 1
137 1 . . . . . 3.5 2.8 4.5 1 1
138 1 . . . . . 2.8 1.8 2.8 1 1
139 1 . . . . . 3.5 2.8 4.5 1 1
140 1 . . . . . 3.5 2.8 3.5 1 1
141 1 . . . . . 5.0 3.5 5.0 1 1
142 1 . . . . . 3.5 2.8 3.5 1 1
143 1 . . . . . 3.5 2.8 4.5 1 1
144 1 . . . . . 2.8 1.8 2.8 1 1
145 1 . . . . . 3.5 2.8 3.5 1 1
146 1 . . . . . 5.0 3.5 5.0 1 1
147 1 . . . . . 2.8 1.8 3.8 1 1
148 1 . . . . . 2.8 1.8 2.8 1 1
149 1 . . . . . 2.8 1.8 3.8 1 1
150 1 . . . . . 2.8 1.8 3.8 1 1
151 1 . . . . . 2.8 1.8 3.8 1 1
152 1 . . . . . 2.8 1.8 2.8 1 1
153 1 . . . . . 3.5 2.8 4.5 1 1
154 1 . . . . . 3.5 2.8 4.5 1 1
155 1 . . . . . 3.5 2.8 3.5 1 1
156 1 . . . . . 5.0 3.5 5.0 1 1
157 1 . . . . . 3.5 2.8 3.5 1 1
158 1 . . . . . 3.5 2.8 3.5 1 1
159 1 . . . . . 3.5 2.8 3.5 1 1
160 1 . . . . . 3.5 2.8 3.5 1 1
161 1 . . . . . 2.8 1.8 2.8 1 1
162 1 . . . . . 2.8 1.8 2.8 1 1
163 1 . . . . . 3.5 2.8 3.5 1 1
164 1 . . . . . 2.8 1.8 2.8 1 1
165 1 . . . . . 2.8 1.8 2.8 1 1
166 1 . . . . . 3.5 2.8 3.5 1 1
167 1 . . . . . 2.8 1.8 2.8 1 1
168 1 . . . . . 3.5 2.8 3.5 1 1
169 1 . . . . . 5.0 3.5 5.0 1 1
170 1 . . . . . 3.5 2.8 3.5 1 1
171 1 . . . . . 3.5 2.8 4.5 1 1
172 1 . . . . . 2.8 1.8 2.8 1 1
173 1 . . . . . 3.5 2.8 3.5 1 1
174 1 . . . . . 3.5 2.8 3.5 1 1
175 1 . . . . . 2.8 1.8 2.8 1 1
176 1 . . . . . 3.5 2.8 3.5 1 1
177 1 . . . . . 2.8 1.8 2.8 1 1
178 1 . . . . . 2.8 1.8 3.8 1 1
179 1 . . . . . 3.5 2.8 3.5 1 1
180 1 . . . . . 5.0 3.5 5.0 1 1
181 1 . . . . . 2.8 1.8 2.8 1 1
182 1 . . . . . 5.0 3.5 5.0 1 1
183 1 . . . . . 3.5 2.8 3.5 1 1
184 1 . . . . . 3.5 2.8 3.5 1 1
185 1 . . . . . 2.8 1.8 2.8 1 1
186 1 . . . . . 3.5 2.8 3.5 1 1
187 1 . . . . . 2.8 1.8 2.8 1 1
188 1 . . . . . 2.8 1.8 2.8 1 1
189 1 . . . . . 2.8 1.8 2.8 1 1
190 1 . . . . . 3.5 2.8 3.5 1 1
191 1 . . . . . 2.8 1.8 2.8 1 1
192 1 . . . . . 3.5 2.8 3.5 1 1
193 1 . . . . . 3.5 2.8 3.5 1 1
194 1 . . . . . 2.8 1.8 3.8 1 1
195 1 . . . . . 2.8 1.8 2.8 1 1
196 1 . . . . . 3.5 2.8 3.5 1 1
197 1 . . . . . 3.5 2.8 4.5 1 1
198 1 . . . . . 3.5 2.8 3.5 1 1
199 1 . . . . . 2.8 1.8 2.8 1 1
200 1 . . . . . 2.8 1.8 2.8 1 1
201 1 . . . . . 2.8 1.8 2.8 1 1
202 1 . . . . . 2.8 1.8 2.8 1 1
stop_
save_
save_Discover_dihedral_5
_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 1 SER CA 1 1 1 SER C 1 1 2 ASP N 1 1 2 ASP CA 178.0 179.99998 1 1 SER CA 1 1 SER C 1 2 ASP N 1 2 ASP CA 1 1
2 . 1 1 2 ASP CA 1 1 2 ASP C 1 1 3 VAL N 1 1 3 VAL CA 178.0 179.99998 1 2 ASP CA 1 2 ASP C 1 3 VAL N 1 3 VAL CA 1 1
3 . 1 1 3 VAL CA 1 1 3 VAL C 1 1 4 ARG N 1 1 4 ARG CA 178.0 179.99998 1 3 VAL CA 1 3 VAL C 1 4 ARG N 1 4 ARG CA 1 1
4 . 1 1 4 ARG CA 1 1 4 ARG C 1 1 5 TYR N 1 1 5 TYR CA 178.0 179.99998 1 4 ARG CA 1 4 ARG C 1 5 TYR N 1 5 TYR CA 1 1
5 . 1 1 5 TYR CA 1 1 5 TYR C 1 1 6 ASN N 1 1 6 ASN CA 178.0 179.99998 1 5 TYR CA 1 5 TYR C 1 6 ASN N 1 6 ASN CA 1 1
6 . 1 1 6 ASN CA 1 1 6 ASN C 1 1 7 LYS N 1 1 7 LYS CA 178.0 179.99998 1 6 ASN CA 1 6 ASN C 1 7 LYS N 1 7 LYS CA 1 1
7 . 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 SER N 1 1 8 SER CA 178.0 179.99998 1 7 LYS CA 1 7 LYS C 1 8 SER N 1 8 SER CA 1 1
8 . 1 1 8 SER CA 1 1 8 SER C 1 1 9 PHE N 1 1 9 PHE CA 178.0 179.99998 1 8 SER CA 1 8 SER C 1 9 PHE N 1 9 PHE CA 1 1
9 . 1 1 9 PHE CA 1 1 9 PHE C 1 1 10 ILE N 1 1 10 ILE CA 178.0 179.99998 1 9 PHE CA 1 9 PHE C 1 10 ILE N 1 10 ILE CA 1 1
10 . 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 ASN N 1 1 11 ASN CA 178.0 179.99998 1 10 ILE CA 1 10 ILE C 1 11 ASN N 1 11 ASN CA 1 1
11 . 1 1 11 ASN CA 1 1 11 ASN C 1 1 12 ASN N 1 1 12 ASN CA 178.0 179.99998 1 11 ASN CA 1 11 ASN C 1 12 ASN N 1 12 ASN CA 1 1
12 . 1 1 12 ASN CA 1 1 12 ASN C 1 1 13 ARG N 1 1 13 ARG CA 178.0 179.99998 1 12 ASN CA 1 12 ASN C 1 13 ARG N 1 13 ARG CA 1 1
13 . 1 1 13 ARG CA 1 1 13 ARG C 1 1 14 LEU N 1 1 14 LEU CA 178.0 179.99998 1 13 ARG CA 1 13 ARG C 1 14 LEU N 1 14 LEU CA 1 1
14 . 1 1 14 LEU CA 1 1 14 LEU C 1 1 15 LEU N 1 1 15 LEU CA 178.0 179.99998 1 14 LEU CA 1 14 LEU C 1 15 LEU N 1 15 LEU CA 1 1
15 . 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 ASN N 1 1 16 ASN CA 178.0 179.99998 1 15 LEU CA 1 15 LEU C 1 16 ASN N 1 16 ASN CA 1 1
16 . 1 1 16 ASN CA 1 1 16 ASN C 1 1 17 GLU N 1 1 17 GLU CA 178.0 179.99998 1 16 ASN CA 1 16 ASN C 1 17 GLU N 1 17 GLU CA 1 1
17 . 1 1 17 GLU CA 1 1 17 GLU C 1 1 18 HIS N 1 1 18 HIS CA 178.0 179.99998 1 17 GLU CA 1 17 GLU C 1 18 HIS N 1 18 HIS CA 1 1
18 . 1 1 18 HIS CA 1 1 18 HIS C 1 1 19 ALA N 1 1 19 ALA CA 178.0 179.99998 1 18 HIS CA 1 18 HIS C 1 19 ALA N 1 19 ALA CA 1 1
19 . 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 HIS N 1 1 20 HIS CA 178.0 179.99998 1 19 ALA CA 1 19 ALA C 1 20 HIS N 1 20 HIS CA 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 SER C C -14.807 -0.431 -0.114 1.00 . A A . 1 SER C 1 1
1 2 1 1 1 SER CA C -16.085 -0.286 0.762 1.00 . A A . 1 SER CA 1 1
1 3 1 1 1 SER CB C -16.818 -1.637 0.970 1.00 . A A . 1 SER CB 1 1
1 4 1 1 1 SER H1 H -16.664 1.132 -0.771 1.00 . A A . 1 SER H1 1 1
1 5 1 1 1 SER HA H -15.772 0.083 1.756 1.00 . A A . 1 SER HA 1 1
1 6 1 1 1 SER HB2 H -17.231 -2.019 0.017 1.00 . A A . 1 SER HB2 1 1
1 7 1 1 1 SER HB3 H -16.107 -2.408 1.323 1.00 . A A . 1 SER HB3 1 1
1 8 1 1 1 SER HG H -18.252 -2.402 1.998 1.00 . A A . 1 SER HG 1 1
1 9 1 1 1 SER N N -16.947 0.742 0.130 1.00 . A A . 1 SER N 1 1
1 10 1 1 1 SER O O -14.675 -1.368 -0.910 1.00 . A A . 1 SER O 1 1
1 11 1 1 1 SER OG O -17.864 -1.527 1.927 1.00 . A A . 1 SER OG 1 1
1 12 1 1 2 ASP C C -11.346 0.807 0.242 1.00 . A A . 2 ASP C 1 1
1 13 1 1 2 ASP CA C -12.582 0.566 -0.691 1.00 . A A . 2 ASP CA 1 1
1 14 1 1 2 ASP CB C -12.753 1.587 -1.839 1.00 . A A . 2 ASP CB 1 1
1 15 1 1 2 ASP CG C -11.762 1.461 -3.003 1.00 . A A . 2 ASP CG 1 1
1 16 1 1 2 ASP H H -14.160 1.334 0.576 1.00 . A A . 2 ASP H 1 1
1 17 1 1 2 ASP HA H -12.436 -0.395 -1.159 1.00 . A A . 2 ASP HA 1 1
1 18 1 1 2 ASP HB2 H -13.780 1.553 -2.252 1.00 . A A . 2 ASP HB2 1 1
1 19 1 1 2 ASP HB3 H -12.664 2.581 -1.396 1.00 . A A . 2 ASP HB3 1 1
1 20 1 1 2 ASP HD2 H -11.581 0.507 -4.690 1.00 . A A . 2 ASP HD2 1 1
1 21 1 1 2 ASP N N -13.867 0.523 0.047 1.00 . A A . 2 ASP N 1 1
1 22 1 1 2 ASP O O -10.434 1.571 -0.090 1.00 . A A . 2 ASP O 1 1
1 23 1 1 2 ASP OD1 O -10.701 2.082 -3.065 1.00 . A A . 2 ASP OD1 1 1
1 24 1 1 2 ASP OD2 O -12.201 0.583 -3.962 1.00 . A A . 2 ASP OD2 1 1
1 25 1 1 3 VAL C C -8.819 -0.414 1.952 1.00 . A A . 3 VAL C 1 1
1 26 1 1 3 VAL CA C -10.193 0.192 2.385 1.00 . A A . 3 VAL CA 1 1
1 27 1 1 3 VAL CB C -10.689 -0.295 3.786 1.00 . A A . 3 VAL CB 1 1
1 28 1 1 3 VAL CG1 C -11.751 0.638 4.418 1.00 . A A . 3 VAL CG1 1 1
1 29 1 1 3 VAL CG2 C -11.184 -1.756 3.849 1.00 . A A . 3 VAL CG2 1 1
1 30 1 1 3 VAL H H -12.152 -0.376 1.653 1.00 . A A . 3 VAL H 1 1
1 31 1 1 3 VAL HA H -10.001 1.262 2.516 1.00 . A A . 3 VAL HA 1 1
1 32 1 1 3 VAL HB H -9.818 -0.239 4.447 1.00 . A A . 3 VAL HB 1 1
1 33 1 1 3 VAL HG11 H -12.699 0.639 3.848 1.00 . A A . 3 VAL HG11 1 1
1 34 1 1 3 VAL HG12 H -11.993 0.341 5.456 1.00 . A A . 3 VAL HG12 1 1
1 35 1 1 3 VAL HG13 H -11.396 1.684 4.464 1.00 . A A . 3 VAL HG13 1 1
1 36 1 1 3 VAL HG21 H -12.075 -1.913 3.213 1.00 . A A . 3 VAL HG21 1 1
1 37 1 1 3 VAL HG22 H -10.404 -2.459 3.508 1.00 . A A . 3 VAL HG22 1 1
1 38 1 1 3 VAL HG23 H -11.451 -2.048 4.880 1.00 . A A . 3 VAL HG23 1 1
1 39 1 1 3 VAL N N -11.285 0.092 1.383 1.00 . A A . 3 VAL N 1 1
1 40 1 1 3 VAL O O -7.788 0.232 2.152 1.00 . A A . 3 VAL O 1 1
1 41 1 1 4 ARG C C -7.207 -1.995 -0.604 1.00 . A A . 4 ARG C 1 1
1 42 1 1 4 ARG CA C -7.592 -2.311 0.881 1.00 . A A . 4 ARG CA 1 1
1 43 1 1 4 ARG CB C -7.737 -3.819 1.181 1.00 . A A . 4 ARG CB 1 1
1 44 1 1 4 ARG CD C -5.203 -4.436 1.564 1.00 . A A . 4 ARG CD 1 1
1 45 1 1 4 ARG CG C -6.541 -4.747 0.858 1.00 . A A . 4 ARG CG 1 1
1 46 1 1 4 ARG CZ C -4.269 -4.277 3.885 1.00 . A A . 4 ARG CZ 1 1
1 47 1 1 4 ARG H H -9.724 -2.062 1.285 1.00 . A A . 4 ARG H 1 1
1 48 1 1 4 ARG HA H -6.775 -1.999 1.516 1.00 . A A . 4 ARG HA 1 1
1 49 1 1 4 ARG HB2 H -7.986 -3.974 2.250 1.00 . A A . 4 ARG HB2 1 1
1 50 1 1 4 ARG HB3 H -8.610 -4.171 0.625 1.00 . A A . 4 ARG HB3 1 1
1 51 1 1 4 ARG HD2 H -4.423 -5.111 1.165 1.00 . A A . 4 ARG HD2 1 1
1 52 1 1 4 ARG HD3 H -4.878 -3.415 1.299 1.00 . A A . 4 ARG HD3 1 1
1 53 1 1 4 ARG HG2 H -6.841 -5.788 1.081 1.00 . A A . 4 ARG HG2 1 1
1 54 1 1 4 ARG HG3 H -6.375 -4.730 -0.234 1.00 . A A . 4 ARG HG3 1 1
1 55 1 1 4 ARG HH11 H -2.950 -3.678 2.487 1.00 . A A . 4 ARG HH11 1 1
1 56 1 1 4 ARG HH12 H -2.404 -3.608 4.237 1.00 . A A . 4 ARG HH12 1 1
1 57 1 1 4 ARG HH21 H -5.390 -4.815 5.454 1.00 . A A . 4 ARG HH21 1 1
1 58 1 1 4 ARG HH22 H -3.694 -4.208 5.802 1.00 . A A . 4 ARG HH22 1 1
1 59 1 1 4 ARG N N -8.810 -1.629 1.381 1.00 . A A . 4 ARG N 1 1
1 60 1 1 4 ARG NE N -5.270 -4.587 3.039 1.00 . A A . 4 ARG NE 1 1
1 61 1 1 4 ARG NH1 N -3.085 -3.806 3.496 1.00 . A A . 4 ARG NH1 1 1
1 62 1 1 4 ARG NH2 N -4.472 -4.451 5.178 1.00 . A A . 4 ARG NH2 1 1
1 63 1 1 4 ARG O O -6.016 -1.992 -0.923 1.00 . A A . 4 ARG O 1 1
1 64 1 1 5 TYR C C -7.173 -0.154 -3.283 1.00 . A A . 5 TYR C 1 1
1 65 1 1 5 TYR CA C -7.987 -1.436 -2.931 1.00 . A A . 5 TYR CA 1 1
1 66 1 1 5 TYR CB C -9.371 -1.422 -3.620 1.00 . A A . 5 TYR CB 1 1
1 67 1 1 5 TYR CD1 C -9.472 -3.171 -5.471 1.00 . A A . 5 TYR CD1 1 1
1 68 1 1 5 TYR CD2 C -9.347 -0.843 -6.103 1.00 . A A . 5 TYR CD2 1 1
1 69 1 1 5 TYR CE1 C -9.497 -3.534 -6.816 1.00 . A A . 5 TYR CE1 1 1
1 70 1 1 5 TYR CE2 C -9.371 -1.207 -7.447 1.00 . A A . 5 TYR CE2 1 1
1 71 1 1 5 TYR CG C -9.396 -1.823 -5.105 1.00 . A A . 5 TYR CG 1 1
1 72 1 1 5 TYR CZ C -9.446 -2.552 -7.804 1.00 . A A . 5 TYR CZ 1 1
1 73 1 1 5 TYR H H -9.134 -1.742 -1.095 1.00 . A A . 5 TYR H 1 1
1 74 1 1 5 TYR HA H -7.464 -2.295 -3.352 1.00 . A A . 5 TYR HA 1 1
1 75 1 1 5 TYR HB2 H -10.092 -2.027 -3.051 1.00 . A A . 5 TYR HB2 1 1
1 76 1 1 5 TYR HB3 H -9.788 -0.423 -3.512 1.00 . A A . 5 TYR HB3 1 1
1 77 1 1 5 TYR HD1 H -9.511 -3.943 -4.715 1.00 . A A . 5 TYR HD1 1 1
1 78 1 1 5 TYR HD2 H -9.288 0.205 -5.841 1.00 . A A . 5 TYR HD2 1 1
1 79 1 1 5 TYR HE1 H -9.555 -4.577 -7.090 1.00 . A A . 5 TYR HE1 1 1
1 80 1 1 5 TYR HE2 H -9.331 -0.443 -8.211 1.00 . A A . 5 TYR HE2 1 1
1 81 1 1 5 TYR HH H -9.428 -2.117 -9.668 1.00 . A A . 5 TYR HH 1 1
1 82 1 1 5 TYR N N -8.193 -1.747 -1.490 1.00 . A A . 5 TYR N 1 1
1 83 1 1 5 TYR O O -6.411 -0.174 -4.253 1.00 . A A . 5 TYR O 1 1
1 84 1 1 5 TYR OH O -9.470 -2.910 -9.129 1.00 . A A . 5 TYR OH 1 1
1 85 1 1 6 ASN C C -6.138 2.881 -1.418 1.00 . A A . 6 ASN C 1 1
1 86 1 1 6 ASN CA C -6.619 2.218 -2.726 1.00 . A A . 6 ASN CA 1 1
1 87 1 1 6 ASN CB C -7.401 3.209 -3.642 1.00 . A A . 6 ASN CB 1 1
1 88 1 1 6 ASN CG C -6.567 3.850 -4.766 1.00 . A A . 6 ASN CG 1 1
1 89 1 1 6 ASN H H -8.067 0.775 -1.784 1.00 . A A . 6 ASN H 1 1
1 90 1 1 6 ASN HA H -5.646 1.956 -3.181 1.00 . A A . 6 ASN HA 1 1
1 91 1 1 6 ASN HB2 H -8.257 2.698 -4.113 1.00 . A A . 6 ASN HB2 1 1
1 92 1 1 6 ASN HB3 H -7.885 4.005 -3.043 1.00 . A A . 6 ASN HB3 1 1
1 93 1 1 6 ASN HD21 H -5.479 4.777 -3.400 1.00 . A A . 6 ASN HD21 1 1
1 94 1 1 6 ASN HD22 H -5.055 5.115 -5.159 1.00 . A A . 6 ASN HD22 1 1
1 95 1 1 6 ASN N N -7.368 0.938 -2.522 1.00 . A A . 6 ASN N 1 1
1 96 1 1 6 ASN ND2 N -5.633 4.715 -4.411 1.00 . A A . 6 ASN ND2 1 1
1 97 1 1 6 ASN O O -4.983 3.319 -1.366 1.00 . A A . 6 ASN O 1 1
1 98 1 1 6 ASN OD1 O -6.760 3.577 -5.950 1.00 . A A . 6 ASN OD1 1 1
1 99 1 1 7 LYS C C -5.410 2.801 1.640 1.00 . A A . 7 LYS C 1 1
1 100 1 1 7 LYS CA C -6.602 3.550 0.939 1.00 . A A . 7 LYS CA 1 1
1 101 1 1 7 LYS CB C -7.849 3.696 1.856 1.00 . A A . 7 LYS CB 1 1
1 102 1 1 7 LYS CD C -10.024 4.812 0.809 1.00 . A A . 7 LYS CD 1 1
1 103 1 1 7 LYS CE C -9.860 4.815 -0.724 1.00 . A A . 7 LYS CE 1 1
1 104 1 1 7 LYS CG C -8.718 4.958 1.619 1.00 . A A . 7 LYS CG 1 1
1 105 1 1 7 LYS H H -7.942 2.673 -0.578 1.00 . A A . 7 LYS H 1 1
1 106 1 1 7 LYS HA H -6.217 4.562 0.725 1.00 . A A . 7 LYS HA 1 1
1 107 1 1 7 LYS HB2 H -8.470 2.781 1.845 1.00 . A A . 7 LYS HB2 1 1
1 108 1 1 7 LYS HB3 H -7.499 3.761 2.905 1.00 . A A . 7 LYS HB3 1 1
1 109 1 1 7 LYS HD2 H -10.579 3.914 1.140 1.00 . A A . 7 LYS HD2 1 1
1 110 1 1 7 LYS HD3 H -10.670 5.665 1.092 1.00 . A A . 7 LYS HD3 1 1
1 111 1 1 7 LYS HE2 H -9.177 5.624 -1.042 1.00 . A A . 7 LYS HE2 1 1
1 112 1 1 7 LYS HE3 H -9.408 3.870 -1.068 1.00 . A A . 7 LYS HE3 1 1
1 113 1 1 7 LYS HG2 H -9.006 5.345 2.615 1.00 . A A . 7 LYS HG2 1 1
1 114 1 1 7 LYS HG3 H -8.101 5.763 1.182 1.00 . A A . 7 LYS HG3 1 1
1 115 1 1 7 LYS HZ1 H -11.802 4.248 -1.131 1.00 . A A . 7 LYS HZ1 1 1
1 116 1 1 7 LYS HZ2 H -11.592 5.869 -1.110 1.00 . A A . 7 LYS HZ2 1 1
1 117 1 1 7 LYS N N -6.992 2.979 -0.379 1.00 . A A . 7 LYS N 1 1
1 118 1 1 7 LYS NZ N -11.152 4.991 -1.409 1.00 . A A . 7 LYS NZ 1 1
1 119 1 1 7 LYS O O -4.761 3.388 2.510 1.00 . A A . 7 LYS O 1 1
1 120 1 1 8 SER C C -3.460 -0.302 0.774 1.00 . A A . 8 SER C 1 1
1 121 1 1 8 SER CA C -4.018 0.727 1.811 1.00 . A A . 8 SER CA 1 1
1 122 1 1 8 SER CB C -4.348 0.118 3.196 1.00 . A A . 8 SER CB 1 1
1 123 1 1 8 SER H H -5.596 1.293 0.375 1.00 . A A . 8 SER H 1 1
1 124 1 1 8 SER HA H -3.171 1.450 1.896 1.00 . A A . 8 SER HA 1 1
1 125 1 1 8 SER HB2 H -4.747 0.889 3.882 1.00 . A A . 8 SER HB2 1 1
1 126 1 1 8 SER HB3 H -5.135 -0.655 3.110 1.00 . A A . 8 SER HB3 1 1
1 127 1 1 8 SER HG H -3.469 -0.804 4.637 1.00 . A A . 8 SER HG 1 1
1 128 1 1 8 SER N N -5.152 1.524 1.276 1.00 . A A . 8 SER N 1 1
1 129 1 1 8 SER O O -3.279 -1.499 1.008 1.00 . A A . 8 SER O 1 1
1 130 1 1 8 SER OG O -3.188 -0.454 3.789 1.00 . A A . 8 SER OG 1 1
1 131 1 1 9 PHE C C -1.287 0.588 -1.849 1.00 . A A . 9 PHE C 1 1
1 132 1 1 9 PHE CA C -2.543 -0.305 -1.584 1.00 . A A . 9 PHE CA 1 1
1 133 1 1 9 PHE CB C -3.549 -0.327 -2.761 1.00 . A A . 9 PHE CB 1 1
1 134 1 1 9 PHE CD1 C -2.338 -0.952 -4.913 1.00 . A A . 9 PHE CD1 1 1
1 135 1 1 9 PHE CD2 C -3.785 -2.595 -3.889 1.00 . A A . 9 PHE CD2 1 1
1 136 1 1 9 PHE CE1 C -2.052 -1.847 -5.941 1.00 . A A . 9 PHE CE1 1 1
1 137 1 1 9 PHE CE2 C -3.499 -3.487 -4.920 1.00 . A A . 9 PHE CE2 1 1
1 138 1 1 9 PHE CG C -3.207 -1.320 -3.879 1.00 . A A . 9 PHE CG 1 1
1 139 1 1 9 PHE CZ C -2.635 -3.112 -5.946 1.00 . A A . 9 PHE CZ 1 1
1 140 1 1 9 PHE H H -3.488 1.239 -0.467 1.00 . A A . 9 PHE H 1 1
1 141 1 1 9 PHE HA H -2.224 -1.316 -1.328 1.00 . A A . 9 PHE HA 1 1
1 142 1 1 9 PHE HB2 H -4.552 -0.550 -2.364 1.00 . A A . 9 PHE HB2 1 1
1 143 1 1 9 PHE HB3 H -3.670 0.688 -3.187 1.00 . A A . 9 PHE HB3 1 1
1 144 1 1 9 PHE HD1 H -1.884 0.029 -4.925 1.00 . A A . 9 PHE HD1 1 1
1 145 1 1 9 PHE HD2 H -4.463 -2.898 -3.103 1.00 . A A . 9 PHE HD2 1 1
1 146 1 1 9 PHE HE1 H -1.380 -1.560 -6.737 1.00 . A A . 9 PHE HE1 1 1
1 147 1 1 9 PHE HE2 H -3.948 -4.470 -4.925 1.00 . A A . 9 PHE HE2 1 1
1 148 1 1 9 PHE HZ H -2.413 -3.805 -6.745 1.00 . A A . 9 PHE HZ 1 1
1 149 1 1 9 PHE N N -3.147 0.285 -0.380 1.00 . A A . 9 PHE N 1 1
1 150 1 1 9 PHE O O -0.182 0.068 -2.018 1.00 . A A . 9 PHE O 1 1
1 151 1 1 10 ILE C C 0.439 3.029 -0.766 1.00 . A A . 10 ILE C 1 1
1 152 1 1 10 ILE CA C -0.433 2.954 -2.058 1.00 . A A . 10 ILE CA 1 1
1 153 1 1 10 ILE CB C -1.065 4.282 -2.543 1.00 . A A . 10 ILE CB 1 1
1 154 1 1 10 ILE CD1 C -0.855 4.074 -5.190 1.00 . A A . 10 ILE CD1 1 1
1 155 1 1 10 ILE CG1 C -1.746 4.123 -3.935 1.00 . A A . 10 ILE CG1 1 1
1 156 1 1 10 ILE CG2 C -0.124 5.513 -2.513 1.00 . A A . 10 ILE CG2 1 1
1 157 1 1 10 ILE H H -2.445 2.212 -1.640 1.00 . A A . 10 ILE H 1 1
1 158 1 1 10 ILE HA H 0.173 2.629 -2.887 1.00 . A A . 10 ILE HA 1 1
1 159 1 1 10 ILE HB H -1.858 4.492 -1.816 1.00 . A A . 10 ILE HB 1 1
1 160 1 1 10 ILE HD11 H -0.139 3.232 -5.154 1.00 . A A . 10 ILE HD11 1 1
1 161 1 1 10 ILE HD12 H -0.272 5.004 -5.322 1.00 . A A . 10 ILE HD12 1 1
1 162 1 1 10 ILE HD13 H -1.465 3.943 -6.102 1.00 . A A . 10 ILE HD13 1 1
1 163 1 1 10 ILE HG12 H -2.382 3.220 -3.949 1.00 . A A . 10 ILE HG12 1 1
1 164 1 1 10 ILE HG13 H -2.461 4.934 -4.019 1.00 . A A . 10 ILE HG13 1 1
1 165 1 1 10 ILE HG21 H 0.217 5.738 -1.486 1.00 . A A . 10 ILE HG21 1 1
1 166 1 1 10 ILE HG22 H 0.779 5.358 -3.131 1.00 . A A . 10 ILE HG22 1 1
1 167 1 1 10 ILE HG23 H -0.632 6.423 -2.883 1.00 . A A . 10 ILE HG23 1 1
1 168 1 1 10 ILE N N -1.486 1.931 -1.881 1.00 . A A . 10 ILE N 1 1
1 169 1 1 10 ILE O O 1.664 2.996 -0.889 1.00 . A A . 10 ILE O 1 1
1 170 1 1 11 ASN C C 1.420 1.851 1.950 1.00 . A A . 11 ASN C 1 1
1 171 1 1 11 ASN CA C 0.561 3.144 1.744 1.00 . A A . 11 ASN CA 1 1
1 172 1 1 11 ASN CB C -0.410 3.366 2.938 1.00 . A A . 11 ASN CB 1 1
1 173 1 1 11 ASN CG C -1.103 4.744 2.984 1.00 . A A . 11 ASN CG 1 1
1 174 1 1 11 ASN H H -1.189 2.937 0.402 1.00 . A A . 11 ASN H 1 1
1 175 1 1 11 ASN HA H 1.277 3.990 1.724 1.00 . A A . 11 ASN HA 1 1
1 176 1 1 11 ASN HB2 H -1.188 2.578 2.941 1.00 . A A . 11 ASN HB2 1 1
1 177 1 1 11 ASN HB3 H 0.133 3.211 3.892 1.00 . A A . 11 ASN HB3 1 1
1 178 1 1 11 ASN HD21 H 0.480 5.539 3.922 1.00 . A A . 11 ASN HD21 1 1
1 179 1 1 11 ASN HD22 H -0.935 6.655 3.572 1.00 . A A . 11 ASN HD22 1 1
1 180 1 1 11 ASN N N -0.179 3.128 0.441 1.00 . A A . 11 ASN N 1 1
1 181 1 1 11 ASN ND2 N -0.456 5.748 3.558 1.00 . A A . 11 ASN ND2 1 1
1 182 1 1 11 ASN O O 2.532 1.941 2.473 1.00 . A A . 11 ASN O 1 1
1 183 1 1 11 ASN OD1 O -2.222 4.914 2.501 1.00 . A A . 11 ASN OD1 1 1
1 184 1 1 12 ASN C C 2.880 -0.662 0.663 1.00 . A A . 12 ASN C 1 1
1 185 1 1 12 ASN CA C 1.614 -0.630 1.592 1.00 . A A . 12 ASN CA 1 1
1 186 1 1 12 ASN CB C 0.596 -1.773 1.288 1.00 . A A . 12 ASN CB 1 1
1 187 1 1 12 ASN CG C 0.907 -3.175 1.861 1.00 . A A . 12 ASN CG 1 1
1 188 1 1 12 ASN H H 0.001 0.782 1.042 1.00 . A A . 12 ASN H 1 1
1 189 1 1 12 ASN HA H 1.973 -0.768 2.623 1.00 . A A . 12 ASN HA 1 1
1 190 1 1 12 ASN HB2 H -0.402 -1.500 1.686 1.00 . A A . 12 ASN HB2 1 1
1 191 1 1 12 ASN HB3 H 0.428 -1.858 0.197 1.00 . A A . 12 ASN HB3 1 1
1 192 1 1 12 ASN HD21 H 2.771 -3.097 1.183 1.00 . A A . 12 ASN HD21 1 1
1 193 1 1 12 ASN HD22 H 2.260 -4.647 2.026 1.00 . A A . 12 ASN HD22 1 1
1 194 1 1 12 ASN N N 0.900 0.674 1.526 1.00 . A A . 12 ASN N 1 1
1 195 1 1 12 ASN ND2 N 2.081 -3.729 1.605 1.00 . A A . 12 ASN ND2 1 1
1 196 1 1 12 ASN O O 3.917 -1.185 1.081 1.00 . A A . 12 ASN O 1 1
1 197 1 1 12 ASN OD1 O 0.075 -3.786 2.531 1.00 . A A . 12 ASN OD1 1 1
1 198 1 1 13 ARG C C 5.170 0.821 -1.070 1.00 . A A . 13 ARG C 1 1
1 199 1 1 13 ARG CA C 3.939 -0.008 -1.517 1.00 . A A . 13 ARG CA 1 1
1 200 1 1 13 ARG CB C 3.450 0.408 -2.933 1.00 . A A . 13 ARG CB 1 1
1 201 1 1 13 ARG CD C 3.140 -1.967 -3.979 1.00 . A A . 13 ARG CD 1 1
1 202 1 1 13 ARG CG C 2.519 -0.585 -3.670 1.00 . A A . 13 ARG CG 1 1
1 203 1 1 13 ARG CZ C 1.246 -3.621 -4.071 1.00 . A A . 13 ARG CZ 1 1
1 204 1 1 13 ARG H H 1.886 0.303 -0.792 1.00 . A A . 13 ARG H 1 1
1 205 1 1 13 ARG HA H 4.350 -1.027 -1.555 1.00 . A A . 13 ARG HA 1 1
1 206 1 1 13 ARG HB2 H 2.935 1.388 -2.868 1.00 . A A . 13 ARG HB2 1 1
1 207 1 1 13 ARG HB3 H 4.318 0.599 -3.590 1.00 . A A . 13 ARG HB3 1 1
1 208 1 1 13 ARG HD2 H 4.031 -1.833 -4.620 1.00 . A A . 13 ARG HD2 1 1
1 209 1 1 13 ARG HD3 H 3.518 -2.450 -3.059 1.00 . A A . 13 ARG HD3 1 1
1 210 1 1 13 ARG HG2 H 1.594 -0.717 -3.080 1.00 . A A . 13 ARG HG2 1 1
1 211 1 1 13 ARG HG3 H 2.190 -0.116 -4.617 1.00 . A A . 13 ARG HG3 1 1
1 212 1 1 13 ARG HH11 H 1.591 -2.976 -2.195 1.00 . A A . 13 ARG HH11 1 1
1 213 1 1 13 ARG HH12 H 0.249 -4.207 -2.423 1.00 . A A . 13 ARG HH12 1 1
1 214 1 1 13 ARG HH21 H 0.708 -4.412 -5.830 1.00 . A A . 13 ARG HH21 1 1
1 215 1 1 13 ARG HH22 H -0.215 -4.963 -4.342 1.00 . A A . 13 ARG HH22 1 1
1 216 1 1 13 ARG N N 2.802 -0.088 -0.563 1.00 . A A . 13 ARG N 1 1
1 217 1 1 13 ARG NE N 2.200 -2.882 -4.676 1.00 . A A . 13 ARG NE 1 1
1 218 1 1 13 ARG NH1 N 1.003 -3.599 -2.761 1.00 . A A . 13 ARG NH1 1 1
1 219 1 1 13 ARG NH2 N 0.505 -4.412 -4.824 1.00 . A A . 13 ARG NH2 1 1
1 220 1 1 13 ARG O O 6.257 0.530 -1.575 1.00 . A A . 13 ARG O 1 1
1 221 1 1 14 LEU C C 7.185 1.670 1.123 1.00 . A A . 14 LEU C 1 1
1 222 1 1 14 LEU CA C 6.214 2.606 0.330 1.00 . A A . 14 LEU CA 1 1
1 223 1 1 14 LEU CB C 5.781 3.857 1.153 1.00 . A A . 14 LEU CB 1 1
1 224 1 1 14 LEU CD1 C 6.336 5.628 -0.648 1.00 . A A . 14 LEU CD1 1 1
1 225 1 1 14 LEU CD2 C 3.921 5.021 -0.227 1.00 . A A . 14 LEU CD2 1 1
1 226 1 1 14 LEU CG C 5.319 5.137 0.401 1.00 . A A . 14 LEU CG 1 1
1 227 1 1 14 LEU H H 4.098 2.085 0.093 1.00 . A A . 14 LEU H 1 1
1 228 1 1 14 LEU HA H 6.780 2.910 -0.561 1.00 . A A . 14 LEU HA 1 1
1 229 1 1 14 LEU HB2 H 5.004 3.569 1.891 1.00 . A A . 14 LEU HB2 1 1
1 230 1 1 14 LEU HB3 H 6.633 4.169 1.787 1.00 . A A . 14 LEU HB3 1 1
1 231 1 1 14 LEU HD11 H 6.399 4.941 -1.512 1.00 . A A . 14 LEU HD11 1 1
1 232 1 1 14 LEU HD12 H 6.059 6.622 -1.043 1.00 . A A . 14 LEU HD12 1 1
1 233 1 1 14 LEU HD13 H 7.351 5.714 -0.219 1.00 . A A . 14 LEU HD13 1 1
1 234 1 1 14 LEU HD21 H 3.569 5.991 -0.625 1.00 . A A . 14 LEU HD21 1 1
1 235 1 1 14 LEU HD22 H 3.172 4.692 0.516 1.00 . A A . 14 LEU HD22 1 1
1 236 1 1 14 LEU HD23 H 3.901 4.301 -1.065 1.00 . A A . 14 LEU HD23 1 1
1 237 1 1 14 LEU HG H 5.246 5.932 1.167 1.00 . A A . 14 LEU HG 1 1
1 238 1 1 14 LEU N N 5.047 1.831 -0.176 1.00 . A A . 14 LEU N 1 1
1 239 1 1 14 LEU O O 8.398 1.756 0.924 1.00 . A A . 14 LEU O 1 1
1 240 1 1 15 LEU C C 8.045 -1.299 1.812 1.00 . A A . 15 LEU C 1 1
1 241 1 1 15 LEU CA C 7.432 -0.216 2.755 1.00 . A A . 15 LEU CA 1 1
1 242 1 1 15 LEU CB C 6.613 -0.873 3.906 1.00 . A A . 15 LEU CB 1 1
1 243 1 1 15 LEU CD1 C 6.873 1.120 5.544 1.00 . A A . 15 LEU CD1 1 1
1 244 1 1 15 LEU CD2 C 4.591 0.601 4.578 1.00 . A A . 15 LEU CD2 1 1
1 245 1 1 15 LEU CG C 5.949 0.011 5.005 1.00 . A A . 15 LEU CG 1 1
1 246 1 1 15 LEU H H 5.651 0.913 2.155 1.00 . A A . 15 LEU H 1 1
1 247 1 1 15 LEU HA H 8.296 0.312 3.185 1.00 . A A . 15 LEU HA 1 1
1 248 1 1 15 LEU HB2 H 5.842 -1.541 3.474 1.00 . A A . 15 LEU HB2 1 1
1 249 1 1 15 LEU HB3 H 7.296 -1.569 4.432 1.00 . A A . 15 LEU HB3 1 1
1 250 1 1 15 LEU HD11 H 7.095 1.881 4.772 1.00 . A A . 15 LEU HD11 1 1
1 251 1 1 15 LEU HD12 H 7.839 0.709 5.887 1.00 . A A . 15 LEU HD12 1 1
1 252 1 1 15 LEU HD13 H 6.416 1.648 6.400 1.00 . A A . 15 LEU HD13 1 1
1 253 1 1 15 LEU HD21 H 3.911 -0.176 4.182 1.00 . A A . 15 LEU HD21 1 1
1 254 1 1 15 LEU HD22 H 4.069 1.075 5.430 1.00 . A A . 15 LEU HD22 1 1
1 255 1 1 15 LEU HD23 H 4.697 1.376 3.798 1.00 . A A . 15 LEU HD23 1 1
1 256 1 1 15 LEU HG H 5.731 -0.665 5.853 1.00 . A A . 15 LEU HG 1 1
1 257 1 1 15 LEU N N 6.648 0.781 1.988 1.00 . A A . 15 LEU N 1 1
1 258 1 1 15 LEU O O 9.122 -1.796 2.135 1.00 . A A . 15 LEU O 1 1
1 259 1 1 16 ASN C C 9.103 -2.035 -1.103 1.00 . A A . 16 ASN C 1 1
1 260 1 1 16 ASN CA C 7.931 -2.663 -0.288 1.00 . A A . 16 ASN CA 1 1
1 261 1 1 16 ASN CB C 6.783 -3.229 -1.173 1.00 . A A . 16 ASN CB 1 1
1 262 1 1 16 ASN CG C 6.912 -4.702 -1.601 1.00 . A A . 16 ASN CG 1 1
1 263 1 1 16 ASN H H 6.483 -1.232 0.511 1.00 . A A . 16 ASN H 1 1
1 264 1 1 16 ASN HA H 8.389 -3.465 0.309 1.00 . A A . 16 ASN HA 1 1
1 265 1 1 16 ASN HB2 H 5.838 -3.138 -0.622 1.00 . A A . 16 ASN HB2 1 1
1 266 1 1 16 ASN HB3 H 6.618 -2.603 -2.071 1.00 . A A . 16 ASN HB3 1 1
1 267 1 1 16 ASN HD21 H 8.657 -4.298 -2.411 1.00 . A A . 16 ASN HD21 1 1
1 268 1 1 16 ASN HD22 H 8.044 -6.022 -2.600 1.00 . A A . 16 ASN HD22 1 1
1 269 1 1 16 ASN N N 7.385 -1.686 0.689 1.00 . A A . 16 ASN N 1 1
1 270 1 1 16 ASN ND2 N 7.941 -5.030 -2.358 1.00 . A A . 16 ASN ND2 1 1
1 271 1 1 16 ASN O O 10.104 -2.718 -1.323 1.00 . A A . 16 ASN O 1 1
1 272 1 1 16 ASN OD1 O 6.080 -5.546 -1.269 1.00 . A A . 16 ASN OD1 1 1
1 273 1 1 17 GLU C C 11.361 0.140 -1.386 1.00 . A A . 17 GLU C 1 1
1 274 1 1 17 GLU CA C 10.076 -0.056 -2.283 1.00 . A A . 17 GLU CA 1 1
1 275 1 1 17 GLU CB C 9.656 1.223 -3.051 1.00 . A A . 17 GLU CB 1 1
1 276 1 1 17 GLU CD C 9.076 3.722 -3.044 1.00 . A A . 17 GLU CD 1 1
1 277 1 1 17 GLU CG C 9.290 2.453 -2.220 1.00 . A A . 17 GLU CG 1 1
1 278 1 1 17 GLU H H 8.065 -0.365 -1.334 1.00 . A A . 17 GLU H 1 1
1 279 1 1 17 GLU HA H 10.327 -0.719 -3.099 1.00 . A A . 17 GLU HA 1 1
1 280 1 1 17 GLU HB2 H 10.479 1.501 -3.734 1.00 . A A . 17 GLU HB2 1 1
1 281 1 1 17 GLU HB3 H 8.799 0.986 -3.711 1.00 . A A . 17 GLU HB3 1 1
1 282 1 1 17 GLU HE2 H 10.945 4.092 -2.644 1.00 . A A . 17 GLU HE2 1 1
1 283 1 1 17 GLU HG2 H 8.365 2.198 -1.719 1.00 . A A . 17 GLU HG2 1 1
1 284 1 1 17 GLU HG3 H 10.025 2.626 -1.417 1.00 . A A . 17 GLU HG3 1 1
1 285 1 1 17 GLU N N 8.982 -0.763 -1.554 1.00 . A A . 17 GLU N 1 1
1 286 1 1 17 GLU O O 12.486 0.015 -1.876 1.00 . A A . 17 GLU O 1 1
1 287 1 1 17 GLU OE1 O 8.004 4.014 -3.575 1.00 . A A . 17 GLU OE1 1 1
1 288 1 1 17 GLU OE2 O 10.212 4.487 -3.122 1.00 . A A . 17 GLU OE2 1 1
1 289 1 1 18 HIS C C 12.858 -0.746 1.407 1.00 . A A . 18 HIS C 1 1
1 290 1 1 18 HIS CA C 12.223 0.597 0.943 1.00 . A A . 18 HIS CA 1 1
1 291 1 1 18 HIS CB C 11.655 1.406 2.137 1.00 . A A . 18 HIS CB 1 1
1 292 1 1 18 HIS CD2 C 13.407 3.239 2.712 1.00 . A A . 18 HIS CD2 1 1
1 293 1 1 18 HIS CE1 C 12.329 4.941 2.105 1.00 . A A . 18 HIS CE1 1 1
1 294 1 1 18 HIS CG C 12.157 2.847 2.199 1.00 . A A . 18 HIS CG 1 1
1 295 1 1 18 HIS H H 10.170 0.470 0.194 1.00 . A A . 18 HIS H 1 1
1 296 1 1 18 HIS HA H 13.016 1.216 0.520 1.00 . A A . 18 HIS HA 1 1
1 297 1 1 18 HIS HB2 H 10.564 1.386 2.098 1.00 . A A . 18 HIS HB2 1 1
1 298 1 1 18 HIS HB3 H 11.849 0.912 3.104 1.00 . A A . 18 HIS HB3 1 1
1 299 1 1 18 HIS HD2 H 14.157 2.569 3.106 1.00 . A A . 18 HIS HD2 1 1
1 300 1 1 18 HIS HE1 H 12.086 5.977 1.918 1.00 . A A . 18 HIS HE1 1 1
1 301 1 1 18 HIS HE2 H 14.314 5.215 2.952 1.00 . A A . 18 HIS HE2 1 1
1 302 1 1 18 HIS N N 11.159 0.426 -0.079 1.00 . A A . 18 HIS N 1 1
1 303 1 1 18 HIS ND1 N 11.422 3.956 1.789 1.00 . A A . 18 HIS ND1 1 1
1 304 1 1 18 HIS NE2 N 13.538 4.612 2.656 1.00 . A A . 18 HIS NE2 1 1
1 305 1 1 18 HIS O O 14.083 -0.886 1.355 1.00 . A A . 18 HIS O 1 1
1 306 1 1 19 ALA C C 13.019 -3.975 1.207 1.00 . A A . 19 ALA C 1 1
1 307 1 1 19 ALA CA C 12.508 -3.038 2.333 1.00 . A A . 19 ALA CA 1 1
1 308 1 1 19 ALA CB C 11.437 -3.704 3.221 1.00 . A A . 19 ALA CB 1 1
1 309 1 1 19 ALA H H 11.028 -1.463 1.770 1.00 . A A . 19 ALA H 1 1
1 310 1 1 19 ALA HA H 13.367 -2.857 3.001 1.00 . A A . 19 ALA HA 1 1
1 311 1 1 19 ALA HB1 H 11.129 -3.050 4.058 1.00 . A A . 19 ALA HB1 1 1
1 312 1 1 19 ALA HB2 H 11.815 -4.640 3.673 1.00 . A A . 19 ALA HB2 1 1
1 313 1 1 19 ALA HB3 H 10.524 -3.967 2.654 1.00 . A A . 19 ALA HB3 1 1
1 314 1 1 19 ALA N N 12.028 -1.710 1.858 1.00 . A A . 19 ALA N 1 1
1 315 1 1 19 ALA O O 14.189 -4.370 1.235 1.00 . A A . 19 ALA O 1 1
1 316 1 1 20 HIS C C 13.191 -4.300 -2.053 1.00 . A A . 20 HIS C 1 1
1 317 1 1 20 HIS CA C 12.549 -5.164 -0.927 1.00 . A A . 20 HIS CA 1 1
1 318 1 1 20 HIS CB C 11.346 -5.990 -1.404 1.00 . A A . 20 HIS CB 1 1
1 319 1 1 20 HIS CD2 C 12.826 -8.007 -2.078 1.00 . A A . 20 HIS CD2 1 1
1 320 1 1 20 HIS CE1 C 11.898 -8.516 -3.896 1.00 . A A . 20 HIS CE1 1 1
1 321 1 1 20 HIS CG C 11.751 -7.136 -2.322 1.00 . A A . 20 HIS CG 1 1
1 322 1 1 20 HIS H H 11.226 -3.893 0.340 1.00 . A A . 20 HIS H 1 1
1 323 1 1 20 HIS HA H 13.248 -5.939 -0.591 1.00 . A A . 20 HIS HA 1 1
1 324 1 1 20 HIS HB2 H 10.787 -6.415 -0.547 1.00 . A A . 20 HIS HB2 1 1
1 325 1 1 20 HIS HB3 H 10.655 -5.312 -1.908 1.00 . A A . 20 HIS HB3 1 1
1 326 1 1 20 HIS HD2 H 13.480 -7.967 -1.219 1.00 . A A . 20 HIS HD2 1 1
1 327 1 1 20 HIS HE1 H 11.690 -9.035 -4.821 1.00 . A A . 20 HIS HE1 1 1
1 328 1 1 20 HIS HE2 H 13.611 -9.687 -3.238 1.00 . A A . 20 HIS HE2 1 1
1 329 1 1 20 HIS N N 12.160 -4.310 0.226 1.00 . A A . 20 HIS N 1 1
1 330 1 1 20 HIS ND1 N 11.117 -7.450 -3.519 1.00 . A A . 20 HIS ND1 1 1
1 331 1 1 20 HIS NE2 N 12.938 -8.923 -3.104 1.00 . A A . 20 HIS NE2 1 1
1 332 1 1 20 HIS O O 12.573 -3.400 -2.624 1.00 . A A . 20 HIS O 1 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, June 5, 2024 11:25:58 AM GMT (wattos1)