NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
588356 |
2mz6   |
25474 | cing | 4-filtered-FRED | STAR | entry | full | 344 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mz6
# This FRED archive file contains, for PDB entry <2mz6>:
#
# - 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_2mz6
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mz6
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 4124.99
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 $Protegrin_3 A . 1 1
2 . 1 $Protegrin_3 B . 1 1
stop_
save_
save_Protegrin_3
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Protegrin 3"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code RGGGLCYCRRRFCVCVGR
_Entity.Number_of_monomers 18
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 ARG . 1 1
2 GLY . 1 1
3 GLY . 1 1
4 GLY . 1 1
5 LEU . 1 1
6 CYS . 1 1
7 TYR . 1 1
8 CYS . 1 1
9 ARG . 1 1
10 ARG . 1 1
11 ARG . 1 1
12 PHE . 1 1
13 CYS . 1 1
14 VAL . 1 1
15 CYS . 1 1
16 VAL . 1 1
17 GLY . 1 1
18 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
ARG 1 1 1 1
GLY 2 2 1 1
GLY 3 3 1 1
GLY 4 4 1 1
LEU 5 5 1 1
CYS 6 6 1 1
TYR 7 7 1 1
CYS 8 8 1 1
ARG 9 9 1 1
ARG 10 10 1 1
ARG 11 11 1 1
PHE 12 12 1 1
CYS 13 13 1 1
VAL 14 14 1 1
CYS 15 15 1 1
VAL 16 16 1 1
GLY 17 17 1 1
ARG 18 18 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
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
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34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
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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
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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
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88 1 . . . 1 1
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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
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
282 1 . . . 1 1
283 1 . . . 1 1
284 1 . . . 1 1
285 1 . . . 1 1
286 1 . . . 1 1
287 1 . . . 1 1
288 1 . . . 1 1
289 1 . . . 1 1
290 1 . . . 1 1
291 1 . . . 1 1
292 1 . . . 1 1
293 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 2 GLY QA A* 2 . HA# 1 1
1 1 2 1 1 3 GLY H A* 3 . HN 1 1
2 1 1 1 1 3 GLY QA A* 3 . HA# 1 1
2 1 2 1 1 4 GLY H A* 4 . HN 1 1
3 1 1 1 1 4 GLY QA A* 4 . HA# 1 1
3 1 2 1 1 5 LEU H A* 5 . HN 1 1
4 1 1 1 1 6 CYS HA A* 6 . HA 1 1
4 1 2 1 1 7 TYR H A* 7 . HN 1 1
5 1 1 1 1 7 TYR HA A* 7 . HA 1 1
5 1 2 1 1 8 CYS H A* 8 . HN 1 1
6 1 1 1 1 8 CYS HA A* 8 . HA 1 1
6 1 2 1 1 9 ARG H A* 9 . HN 1 1
7 1 1 1 1 9 ARG HA A* 9 . HA 1 1
7 1 2 1 1 10 ARG H A* 10 . HN 1 1
8 1 1 1 1 10 ARG HA A* 10 . HA 1 1
8 1 2 1 1 11 ARG H A* 11 . HN 1 1
9 1 1 1 1 11 ARG HA A* 11 . HA 1 1
9 1 2 1 1 12 PHE H A* 12 . HN 1 1
10 1 1 1 1 12 PHE HA A* 12 . HA 1 1
10 1 2 1 1 13 CYS H A* 13 . HN 1 1
11 1 1 1 1 13 CYS HA A* 13 . HA 1 1
11 1 2 1 1 14 VAL H A* 14 . HN 1 1
12 1 1 1 1 14 VAL HA A* 14 . HA 1 1
12 1 2 1 1 15 CYS H A* 15 . HN 1 1
13 1 1 1 1 15 CYS HA A* 15 . HA 1 1
13 1 2 1 1 16 VAL H A* 16 . HN 1 1
14 1 1 1 1 16 VAL HA A* 16 . HA 1 1
14 1 2 1 1 17 GLY H A* 17 . HN 1 1
15 1 1 1 1 17 GLY QA A* 17 . HA# 1 1
15 1 2 1 1 18 ARG H A* 18 . HN 1 1
16 1 1 1 1 2 GLY H A* 2 . HN 1 1
16 1 2 1 1 3 GLY H A* 3 . HN 1 1
17 1 1 1 1 3 GLY H A* 3 . HN 1 1
17 1 2 1 1 4 GLY H A* 4 . HN 1 1
18 1 1 1 1 4 GLY H A* 4 . HN 1 1
18 1 2 1 1 5 LEU H A* 5 . HN 1 1
19 1 1 1 1 5 LEU H A* 5 . HN 1 1
19 1 2 1 1 6 CYS H A* 6 . HN 1 1
20 1 1 1 1 6 CYS H A* 6 . HN 1 1
20 1 2 1 1 7 TYR H A* 7 . HN 1 1
21 1 1 1 1 7 TYR H A* 7 . HN 1 1
21 1 2 1 1 8 CYS H A* 8 . HN 1 1
22 1 1 1 1 8 CYS H A* 8 . HN 1 1
22 1 2 1 1 9 ARG H A* 9 . HN 1 1
23 1 1 1 1 9 ARG H A* 9 . HN 1 1
23 1 2 1 1 10 ARG H A* 10 . HN 1 1
24 1 1 1 1 11 ARG H A* 11 . HN 1 1
24 1 2 1 1 12 PHE H A* 12 . HN 1 1
25 1 1 1 1 12 PHE H A* 12 . HN 1 1
25 1 2 1 1 13 CYS H A* 13 . HN 1 1
26 1 1 1 1 14 VAL H A* 14 . HN 1 1
26 1 2 1 1 15 CYS H A* 15 . HN 1 1
27 1 1 1 1 15 CYS H A* 15 . HN 1 1
27 1 2 1 1 16 VAL H A* 16 . HN 1 1
28 1 1 1 1 16 VAL H A* 16 . HN 1 1
28 1 2 1 1 17 GLY H A* 17 . HN 1 1
29 1 1 1 1 17 GLY H A* 17 . HN 1 1
29 1 2 1 1 18 ARG H A* 18 . HN 1 1
30 1 1 1 1 1 ARG QB A* 1 . HB# 1 1
30 1 2 1 1 2 GLY H A* 2 . HN 1 1
31 1 1 1 1 5 LEU QB A* 5 . HB# 1 1
31 1 2 1 1 6 CYS H A* 6 . HN 1 1
32 1 1 1 1 6 CYS QB A* 6 . HB# 1 1
32 1 2 1 1 7 TYR H A* 7 . HN 1 1
33 1 1 1 1 7 TYR HB2 A* 7 . HB2 1 1
33 1 2 1 1 8 CYS H A* 8 . HN 1 1
34 1 1 1 1 8 CYS QB A* 8 . HB1 1 1
34 1 2 1 1 9 ARG H A* 9 . HN 1 1
35 1 1 1 1 9 ARG HB3 A* 9 . HB1 1 1
35 1 2 1 1 10 ARG H A* 10 . HN 1 1
36 1 1 1 1 11 ARG QB A* 11 . HB# 1 1
36 1 2 1 1 12 PHE H A* 12 . HN 1 1
37 1 1 1 1 12 PHE HB3 A* 12 . HB1 1 1
37 1 2 1 1 13 CYS H A* 13 . HN 1 1
38 1 1 1 1 12 PHE HB2 A* 12 . HB2 1 1
38 1 2 1 1 13 CYS H A* 13 . HN 1 1
39 1 1 1 1 13 CYS HB2 A* 13 . HB2 1 1
39 1 2 1 1 14 VAL H A* 14 . HN 1 1
40 1 1 1 1 15 CYS QB A* 15 . HB# 1 1
40 1 2 1 1 16 VAL H A* 16 . HN 1 1
41 1 1 1 1 16 VAL HB A* 16 . HB# 1 1
41 1 2 1 1 17 GLY H A* 17 . HN 1 1
42 1 1 1 1 9 ARG H A* 9 . HN 1 1
42 1 2 1 1 12 PHE H A* 12 . HN 1 1
43 1 1 1 1 3 GLY QA A* 3 . HA# 1 1
43 1 2 1 1 5 LEU H A* 5 . HN 1 1
44 1 1 1 1 16 VAL HB A* 16 . HB 1 1
44 1 2 1 1 18 ARG H A* 18 . HN 1 1
45 1 1 1 1 6 CYS HA A* 6 . HA 1 1
45 1 2 1 1 7 TYR QD A* 7 . HD# 1 1
46 1 1 1 1 6 CYS H A* 6 . HN 1 1
46 1 2 1 1 7 TYR QD A* 7 . HD# 1 1
47 1 1 1 1 7 TYR QD A* 7 . HD# 1 1
47 1 2 1 1 8 CYS HA A* 8 . HA 1 1
48 1 1 1 1 7 TYR QD A* 7 . HD# 1 1
48 1 2 1 1 8 CYS QB A* 8 . HB2 1 1
49 1 1 1 1 6 CYS QB A* 6 . HB# 1 1
49 1 2 1 1 7 TYR QD A* 7 . HD# 1 1
50 1 1 1 1 7 TYR QE A* 7 . HE# 1 1
50 1 2 1 1 8 CYS HA A* 8 . HA 1 1
51 1 1 1 1 7 TYR QE A* 7 . HE# 1 1
51 1 2 1 1 8 CYS H A* 8 . HN 1 1
52 1 1 1 1 12 PHE QD A* 12 . HD# 1 1
52 1 2 1 1 14 VAL QG A* 14 . HG# 1 1
53 1 1 1 1 11 ARG QB A* 11 . HB# 1 1
53 1 2 1 1 12 PHE QD A* 12 . HD# 1 1
54 1 1 1 1 10 ARG QG A* 10 . HG1 1 1
54 1 2 1 1 12 PHE QD A* 12 . HD# 1 1
55 1 1 1 1 12 PHE QE A* 12 . HE# 1 1
55 1 2 1 1 13 CYS H A* 13 . HN 1 1
56 1 1 1 1 12 PHE QE A* 12 . HE# 1 1
56 1 2 1 1 14 VAL QG A* 14 . HG# 1 1
57 1 1 1 1 11 ARG H A* 11 . HN 1 1
57 1 2 1 1 12 PHE QE A* 12 . HE# 1 1
58 1 1 1 1 1 ARG QD A* 1 . HD# 1 1
58 1 2 1 1 2 GLY H A* 2 . HN 1 1
59 1 1 1 1 1 ARG HG3 A* 1 . HG1 1 1
59 1 2 1 1 2 GLY H A* 2 . HN 1 1
60 1 1 1 1 2 GLY H A* 2 . HN 1 1
60 1 2 1 1 3 GLY QA A* 3 . HA# 1 1
61 1 1 1 1 3 GLY H A* 3 . HN 1 1
61 1 2 1 1 4 GLY QA A* 4 . HA# 1 1
62 1 1 1 1 4 GLY QA A* 4 . HA# 1 1
62 1 2 1 1 5 LEU HA A* 5 . HA 1 1
63 1 1 1 1 4 GLY QA A* 4 . HA# 1 1
63 1 2 1 1 5 LEU QB A* 5 . HB# 1 1
64 1 1 1 1 4 GLY QA A* 4 . HA# 1 1
64 1 2 1 1 5 LEU MD2 A* 5 . HD1# 1 1
65 1 1 1 1 5 LEU H A* 5 . HN 1 1
65 1 2 1 1 6 CYS QB A* 6 . HB2 1 1
66 1 1 1 1 5 LEU MD2 A* 5 . HD1# 1 1
66 1 2 1 1 6 CYS H A* 6 . HN 1 1
67 1 1 1 1 5 LEU MD1 A* 5 . HD2# 1 1
67 1 2 1 1 6 CYS H A* 6 . HN 1 1
68 1 1 1 1 5 LEU HG A* 5 . HG 1 1
68 1 2 1 1 6 CYS H A* 6 . HN 1 1
69 1 1 1 1 6 CYS H A* 6 . HN 1 1
69 1 2 1 1 7 TYR HA A* 7 . HA 1 1
70 1 1 1 1 8 CYS HA A* 8 . HA 1 1
70 1 2 1 1 9 ARG QH A* 9 . HH# 1 1
71 1 1 1 1 8 CYS QB A* 8 . HB2 1 1
71 1 2 1 1 9 ARG HA A* 9 . HA 1 1
72 1 1 1 1 8 CYS QB A* 8 . HB2 1 1
72 1 2 1 1 9 ARG QH A* 9 . HH# 1 1
73 1 1 1 1 9 ARG HA A* 9 . HA 1 1
73 1 2 1 1 11 ARG HA A* 11 . HA 1 1
74 1 1 1 1 9 ARG QB A* 9 . HB# 1 1
74 1 2 1 1 13 CYS HA A* 13 . HA 1 1
75 1 1 1 1 10 ARG HA A* 10 . HA 1 1
75 1 2 1 1 11 ARG HG3 A* 11 . HG2 1 1
76 1 1 1 1 10 ARG QG A* 10 . HG1 1 1
76 1 2 1 1 11 ARG H A* 11 . HN 1 1
77 1 1 1 1 10 ARG QG A* 10 . HG1 1 1
77 1 2 1 1 12 PHE QE A* 12 . HE# 1 1
78 1 1 1 1 10 ARG QD A* 10 . HD# 1 1
78 1 2 1 1 11 ARG H A* 11 . HN 1 1
79 1 1 1 1 11 ARG H A* 11 . HN 1 1
79 1 2 1 1 12 PHE HA A* 12 . HA 1 1
80 1 1 1 1 11 ARG H A* 11 . HN 1 1
80 1 2 1 1 12 PHE HB3 A* 12 . HB1 1 1
81 1 1 1 1 11 ARG HG2 A* 11 . HG1 1 1
81 1 2 1 1 12 PHE H A* 12 . HN 1 1
82 1 1 1 1 11 ARG HG3 A* 11 . HG2 1 1
82 1 2 1 1 12 PHE H A* 12 . HN 1 1
83 1 1 1 1 13 CYS H A* 13 . HN 1 1
83 1 2 1 1 14 VAL HB A* 14 . HB 1 1
84 1 1 1 1 13 CYS HA A* 13 . HA 1 1
84 1 2 1 1 14 VAL MG1 A* 14 . HG1# 1 1
85 1 1 1 1 13 CYS HA A* 13 . HA 1 1
85 1 2 1 1 14 VAL HA A* 14 . HA 1 1
86 1 1 1 1 13 CYS HB3 A* 13 . HB1 1 1
86 1 2 1 1 14 VAL MG1 A* 14 . HG1# 1 1
87 1 1 1 1 14 VAL HB A* 14 . HB 1 1
87 1 2 1 1 15 CYS HA A* 15 . HA 1 1
88 1 1 1 1 14 VAL MG1 A* 14 . HG1# 1 1
88 1 2 1 1 15 CYS HA A* 15 . HA 1 1
89 1 1 1 1 14 VAL MG2 A* 14 . HG2# 1 1
89 1 2 1 1 15 CYS HA A* 15 . HA 1 1
90 1 1 1 1 15 CYS HA A* 15 . HA 1 1
90 1 2 1 1 16 VAL QG A* 16 . HG# 1 1
91 1 1 1 1 15 CYS HB2 A* 15 . HB2 1 1
91 1 2 1 1 16 VAL HA A* 16 . HA 1 1
92 1 1 1 1 16 VAL H A* 16 . HN 1 1
92 1 2 1 1 17 GLY QA A* 17 . HA# 1 1
93 1 1 1 1 16 VAL HA A* 16 . HA 1 1
93 1 2 1 1 17 GLY QA A* 17 . HA# 1 1
94 1 1 1 1 16 VAL HB A* 16 . HB 1 1
94 1 2 1 1 17 GLY QA A* 17 . HA# 1 1
95 1 1 1 1 16 VAL QG A* 16 . HG# 1 1
95 1 2 1 1 17 GLY H A* 17 . HN 1 1
96 1 1 1 1 16 VAL QG A* 16 . HG# 1 1
96 1 2 1 1 17 GLY QA A* 17 . HA# 1 1
97 1 1 1 1 16 VAL QG A* 16 . HG# 1 1
97 1 2 1 1 18 ARG QB A* 18 . HB# 1 1
98 1 1 1 1 16 VAL QG A* 16 . HG# 1 1
98 1 2 1 1 18 ARG H A* 18 . HN 1 1
99 1 1 1 1 17 GLY QA A* 17 . HA# 1 1
99 1 2 1 1 18 ARG HA A* 18 . HA 1 1
100 1 1 1 1 17 GLY QA A* 17 . HA# 1 1
100 1 2 1 1 18 ARG QB A* 18 . HB# 1 1
101 1 1 2 1 2 GLY QA B* 2 . HA# 1 1
101 1 2 2 1 3 GLY H B* 3 . HN 1 1
102 1 1 2 1 3 GLY QA B* 3 . HA# 1 1
102 1 2 2 1 4 GLY H B* 4 . HN 1 1
103 1 1 2 1 4 GLY QA B* 4 . HA# 1 1
103 1 2 2 1 5 LEU H B* 5 . HN 1 1
104 1 1 2 1 6 CYS HA B* 6 . HA 1 1
104 1 2 2 1 7 TYR H B* 7 . HN 1 1
105 1 1 2 1 7 TYR HA B* 7 . HA 1 1
105 1 2 2 1 8 CYS H B* 8 . HN 1 1
106 1 1 2 1 8 CYS HA B* 8 . HA 1 1
106 1 2 2 1 9 ARG H B* 9 . HN 1 1
107 1 1 2 1 9 ARG HA B* 9 . HA 1 1
107 1 2 2 1 10 ARG H B* 10 . HN 1 1
108 1 1 2 1 10 ARG HA B* 10 . HA 1 1
108 1 2 2 1 11 ARG H B* 11 . HN 1 1
109 1 1 2 1 11 ARG HA B* 11 . HA 1 1
109 1 2 2 1 12 PHE H B* 12 . HN 1 1
110 1 1 2 1 12 PHE HA B* 12 . HA 1 1
110 1 2 2 1 13 CYS H B* 13 . HN 1 1
111 1 1 2 1 13 CYS HA B* 13 . HA 1 1
111 1 2 2 1 14 VAL H B* 14 . HN 1 1
112 1 1 2 1 14 VAL HA B* 14 . HA 1 1
112 1 2 2 1 15 CYS H B* 15 . HN 1 1
113 1 1 2 1 15 CYS HA B* 15 . HA 1 1
113 1 2 2 1 16 VAL H B* 16 . HN 1 1
114 1 1 2 1 16 VAL HA B* 16 . HA 1 1
114 1 2 2 1 17 GLY H B* 17 . HN 1 1
115 1 1 2 1 17 GLY QA B* 17 . HA# 1 1
115 1 2 2 1 18 ARG H B* 18 . HN 1 1
116 1 1 2 1 2 GLY H B* 2 . HN 1 1
116 1 2 2 1 3 GLY H B* 3 . HN 1 1
117 1 1 2 1 3 GLY H B* 3 . HN 1 1
117 1 2 2 1 4 GLY H B* 4 . HN 1 1
118 1 1 2 1 4 GLY H B* 4 . HN 1 1
118 1 2 2 1 5 LEU H B* 5 . HN 1 1
119 1 1 2 1 5 LEU H B* 5 . HN 1 1
119 1 2 2 1 6 CYS H B* 6 . HN 1 1
120 1 1 2 1 6 CYS H B* 6 . HN 1 1
120 1 2 2 1 7 TYR H B* 7 . HN 1 1
121 1 1 2 1 7 TYR H B* 7 . HN 1 1
121 1 2 2 1 8 CYS H B* 8 . HN 1 1
122 1 1 2 1 8 CYS H B* 8 . HN 1 1
122 1 2 2 1 9 ARG H B* 9 . HN 1 1
123 1 1 2 1 9 ARG H B* 9 . HN 1 1
123 1 2 2 1 10 ARG H B* 10 . HN 1 1
124 1 1 2 1 11 ARG H B* 11 . HN 1 1
124 1 2 2 1 12 PHE H B* 12 . HN 1 1
125 1 1 2 1 12 PHE H B* 12 . HN 1 1
125 1 2 2 1 13 CYS H B* 13 . HN 1 1
126 1 1 2 1 14 VAL H B* 14 . HN 1 1
126 1 2 2 1 15 CYS H B* 15 . HN 1 1
127 1 1 2 1 15 CYS H B* 15 . HN 1 1
127 1 2 2 1 16 VAL H B* 16 . HN 1 1
128 1 1 2 1 16 VAL H B* 16 . HN 1 1
128 1 2 2 1 17 GLY H B* 17 . HN 1 1
129 1 1 2 1 17 GLY H B* 17 . HN 1 1
129 1 2 2 1 18 ARG H B* 18 . HN 1 1
130 1 1 2 1 1 ARG QB B* 1 . HB# 1 1
130 1 2 2 1 2 GLY H B* 2 . HN 1 1
131 1 1 2 1 5 LEU QB B* 5 . HB# 1 1
131 1 2 2 1 6 CYS H B* 6 . HN 1 1
132 1 1 2 1 6 CYS QB B* 6 . HB# 1 1
132 1 2 2 1 7 TYR H B* 7 . HN 1 1
133 1 1 2 1 7 TYR HB2 B* 7 . HB2 1 1
133 1 2 2 1 8 CYS H B* 8 . HN 1 1
134 1 1 2 1 8 CYS HB3 B* 8 . HB1 1 1
134 1 2 2 1 9 ARG H B* 9 . HN 1 1
135 1 1 2 1 8 CYS HB2 B* 8 . HB2 1 1
135 1 2 2 1 9 ARG H B* 9 . HN 1 1
136 1 1 2 1 9 ARG HB3 B* 9 . HB1 1 1
136 1 2 2 1 10 ARG H B* 10 . HN 1 1
137 1 1 2 1 11 ARG QB B* 11 . HB# 1 1
137 1 2 2 1 12 PHE H B* 12 . HN 1 1
138 1 1 2 1 12 PHE HB3 B* 12 . HB1 1 1
138 1 2 2 1 13 CYS H B* 13 . HN 1 1
139 1 1 2 1 12 PHE HB2 B* 12 . HB2 1 1
139 1 2 2 1 13 CYS H B* 13 . HN 1 1
140 1 1 2 1 13 CYS HB2 B* 13 . HB2 1 1
140 1 2 2 1 14 VAL H B* 14 . HN 1 1
141 1 1 2 1 15 CYS QB B* 15 . HB# 1 1
141 1 2 2 1 16 VAL H B* 16 . HN 1 1
142 1 1 2 1 16 VAL HB B* 16 . HB# 1 1
142 1 2 2 1 17 GLY H B* 17 . HN 1 1
143 1 1 2 1 9 ARG H B* 9 . HN 1 1
143 1 2 2 1 12 PHE H B* 12 . HN 1 1
144 1 1 2 1 3 GLY QA B* 3 . HA# 1 1
144 1 2 2 1 5 LEU H B* 5 . HN 1 1
145 1 1 2 1 16 VAL HB B* 16 . HB 1 1
145 1 2 2 1 18 ARG H B* 18 . HN 1 1
146 1 1 2 1 6 CYS HA B* 6 . HA 1 1
146 1 2 2 1 7 TYR QD B* 7 . HD# 1 1
147 1 1 2 1 6 CYS H B* 6 . HN 1 1
147 1 2 2 1 7 TYR QD B* 7 . HD# 1 1
148 1 1 2 1 7 TYR QD B* 7 . HD# 1 1
148 1 2 2 1 8 CYS HA B* 8 . HA 1 1
149 1 1 2 1 7 TYR QD B* 7 . HD# 1 1
149 1 2 2 1 8 CYS HB2 B* 8 . HB2 1 1
150 1 1 2 1 6 CYS QB B* 6 . HB# 1 1
150 1 2 2 1 7 TYR QD B* 7 . HD# 1 1
151 1 1 2 1 7 TYR QE B* 7 . HE# 1 1
151 1 2 2 1 8 CYS HA B* 8 . HA 1 1
152 1 1 2 1 7 TYR QE B* 7 . HE# 1 1
152 1 2 2 1 8 CYS H B* 8 . HN 1 1
153 1 1 2 1 12 PHE QD B* 12 . HD# 1 1
153 1 2 2 1 14 VAL QG B* 14 . HG# 1 1
154 1 1 2 1 11 ARG QB B* 11 . HB# 1 1
154 1 2 2 1 12 PHE QD B* 12 . HD# 1 1
155 1 1 2 1 10 ARG HG3 B* 10 . HG1 1 1
155 1 2 2 1 12 PHE QD B* 12 . HD# 1 1
156 1 1 2 1 12 PHE QE B* 12 . HE# 1 1
156 1 2 2 1 13 CYS H B* 13 . HN 1 1
157 1 1 2 1 12 PHE QE B* 12 . HE# 1 1
157 1 2 2 1 14 VAL QG B* 14 . HG# 1 1
158 1 1 2 1 11 ARG H B* 11 . HN 1 1
158 1 2 2 1 12 PHE QE B* 12 . HE# 1 1
159 1 1 2 1 1 ARG QD B* 1 . HD# 1 1
159 1 2 2 1 2 GLY H B* 2 . HN 1 1
160 1 1 2 1 1 ARG HG3 B* 1 . HG1 1 1
160 1 2 2 1 2 GLY H B* 2 . HN 1 1
161 1 1 2 1 2 GLY H B* 2 . HN 1 1
161 1 2 2 1 3 GLY QA B* 3 . HA# 1 1
162 1 1 2 1 3 GLY H B* 3 . HN 1 1
162 1 2 2 1 4 GLY QA B* 4 . HA# 1 1
163 1 1 2 1 4 GLY QA B* 4 . HA# 1 1
163 1 2 2 1 5 LEU HA B* 5 . HA 1 1
164 1 1 2 1 4 GLY QA B* 4 . HA# 1 1
164 1 2 2 1 5 LEU QB B* 5 . HB# 1 1
165 1 1 2 1 4 GLY QA B* 4 . HA# 1 1
165 1 2 2 1 5 LEU MD1 B* 5 . HD1# 1 1
166 1 1 2 1 5 LEU H B* 5 . HN 1 1
166 1 2 2 1 6 CYS HB2 B* 6 . HB2 1 1
167 1 1 2 1 5 LEU MD1 B* 5 . HD1# 1 1
167 1 2 2 1 6 CYS H B* 6 . HN 1 1
168 1 1 2 1 5 LEU MD2 B* 5 . HD2# 1 1
168 1 2 2 1 6 CYS H B* 6 . HN 1 1
169 1 1 2 1 5 LEU HG B* 5 . HG 1 1
169 1 2 2 1 6 CYS H B* 6 . HN 1 1
170 1 1 2 1 6 CYS H B* 6 . HN 1 1
170 1 2 2 1 7 TYR HA B* 7 . HA 1 1
171 1 1 2 1 8 CYS HA B* 8 . HA 1 1
171 1 2 2 1 9 ARG QH B* 9 . HH# 1 1
172 1 1 2 1 8 CYS HB2 B* 8 . HB2 1 1
172 1 2 2 1 9 ARG HA B* 9 . HA 1 1
173 1 1 2 1 8 CYS HB2 B* 8 . HB2 1 1
173 1 2 2 1 9 ARG QH B* 9 . HH# 1 1
174 1 1 2 1 9 ARG HA B* 9 . HA 1 1
174 1 2 2 1 11 ARG HA B* 11 . HA 1 1
175 1 1 2 1 9 ARG QB B* 9 . HB# 1 1
175 1 2 2 1 13 CYS HA B* 13 . HA 1 1
176 1 1 2 1 10 ARG HA B* 10 . HA 1 1
176 1 2 2 1 11 ARG HG2 B* 11 . HG2 1 1
177 1 1 2 1 10 ARG HG3 B* 10 . HG1 1 1
177 1 2 2 1 11 ARG H B* 11 . HN 1 1
178 1 1 2 1 10 ARG HG3 B* 10 . HG1 1 1
178 1 2 2 1 12 PHE QE B* 12 . HE# 1 1
179 1 1 2 1 10 ARG QD B* 10 . HD# 1 1
179 1 2 2 1 11 ARG H B* 11 . HN 1 1
180 1 1 2 1 11 ARG H B* 11 . HN 1 1
180 1 2 2 1 12 PHE HA B* 12 . HA 1 1
181 1 1 2 1 11 ARG H B* 11 . HN 1 1
181 1 2 2 1 12 PHE HB3 B* 12 . HB1 1 1
182 1 1 2 1 11 ARG HG3 B* 11 . HG1 1 1
182 1 2 2 1 12 PHE H B* 12 . HN 1 1
183 1 1 2 1 11 ARG HG2 B* 11 . HG2 1 1
183 1 2 2 1 12 PHE H B* 12 . HN 1 1
184 1 1 2 1 13 CYS H B* 13 . HN 1 1
184 1 2 2 1 14 VAL HB B* 14 . HB 1 1
185 1 1 2 1 13 CYS HA B* 13 . HA 1 1
185 1 2 2 1 14 VAL MG1 B* 14 . HG1# 1 1
186 1 1 2 1 13 CYS HA B* 13 . HA 1 1
186 1 2 2 1 14 VAL HA B* 14 . HA 1 1
187 1 1 2 1 13 CYS HB3 B* 13 . HB1 1 1
187 1 2 2 1 14 VAL MG1 B* 14 . HG1# 1 1
188 1 1 2 1 14 VAL HB B* 14 . HB 1 1
188 1 2 2 1 15 CYS HA B* 15 . HA 1 1
189 1 1 2 1 14 VAL MG1 B* 14 . HG1# 1 1
189 1 2 2 1 15 CYS HA B* 15 . HA 1 1
190 1 1 2 1 14 VAL MG2 B* 14 . HG2# 1 1
190 1 2 2 1 15 CYS HA B* 15 . HA 1 1
191 1 1 2 1 15 CYS HA B* 15 . HA 1 1
191 1 2 2 1 16 VAL QG B* 16 . HG# 1 1
192 1 1 2 1 15 CYS HB2 B* 15 . HB2 1 1
192 1 2 2 1 16 VAL HA B* 16 . HA 1 1
193 1 1 2 1 16 VAL H B* 16 . HN 1 1
193 1 2 2 1 17 GLY QA B* 17 . HA# 1 1
194 1 1 2 1 16 VAL HA B* 16 . HA 1 1
194 1 2 2 1 17 GLY QA B* 17 . HA# 1 1
195 1 1 2 1 16 VAL HB B* 16 . HB 1 1
195 1 2 2 1 17 GLY QA B* 17 . HA# 1 1
196 1 1 2 1 16 VAL QG B* 16 . HG# 1 1
196 1 2 2 1 17 GLY H B* 17 . HN 1 1
197 1 1 2 1 16 VAL QG B* 16 . HG# 1 1
197 1 2 2 1 17 GLY QA B* 17 . HA# 1 1
198 1 1 2 1 16 VAL QG B* 16 . HG# 1 1
198 1 2 2 1 18 ARG QB B* 18 . HB# 1 1
199 1 1 2 1 16 VAL QG B* 16 . HG# 1 1
199 1 2 2 1 18 ARG H B* 18 . HN 1 1
200 1 1 2 1 17 GLY QA B* 17 . HA# 1 1
200 1 2 2 1 18 ARG HA B* 18 . HA 1 1
201 1 1 2 1 17 GLY QA B* 17 . HA# 1 1
201 1 2 2 1 18 ARG QB B* 18 . HB# 1 1
202 1 1 1 1 2 GLY H A* 2 . HN 1 1
202 1 2 1 1 2 GLY QA A* 2 . HA# 1 1
203 1 1 1 1 3 GLY H A* 3 . HN 1 1
203 1 2 1 1 3 GLY QA A* 3 . HA# 1 1
204 1 1 1 1 4 GLY H A* 4 . HN 1 1
204 1 2 1 1 4 GLY QA A* 4 . HA# 1 1
205 1 1 1 1 5 LEU H A* 5 . HN 1 1
205 1 2 1 1 5 LEU HA A* 5 . HA 1 1
206 1 1 1 1 5 LEU H A* 5 . HN 1 1
206 1 2 1 1 5 LEU QB A* 5 . HB# 1 1
207 1 1 1 1 5 LEU HA A* 5 . HA 1 1
207 1 2 1 1 5 LEU QB A* 5 . HB# 1 1
208 1 1 1 1 6 CYS H A* 6 . HN 1 1
208 1 2 1 1 6 CYS HA A* 6 . HA 1 1
209 1 1 1 1 6 CYS H A* 6 . HN 1 1
209 1 2 1 1 6 CYS QB A* 6 . HB# 1 1
210 1 1 1 1 7 TYR H A* 7 . HN 1 1
210 1 2 1 1 7 TYR HA A* 7 . HA 1 1
211 1 1 1 1 7 TYR H A* 7 . HN 1 1
211 1 2 1 1 7 TYR QB A* 7 . HB# 1 1
212 1 1 1 1 8 CYS H A* 8 . HN 1 1
212 1 2 1 1 8 CYS HA A* 8 . HA 1 1
213 1 1 1 1 8 CYS H A* 8 . HN 1 1
213 1 2 1 1 8 CYS QB A* 8 . HB1 1 1
214 1 1 1 1 8 CYS HA A* 8 . HA 1 1
214 1 2 1 1 8 CYS QB A* 8 . HB1 1 1
215 1 1 1 1 9 ARG H A* 9 . HN 1 1
215 1 2 1 1 9 ARG HB3 A* 9 . HB1 1 1
216 1 1 1 1 9 ARG H A* 9 . HN 1 1
216 1 2 1 1 9 ARG HB2 A* 9 . HB2 1 1
217 1 1 1 1 9 ARG HA A* 9 . HA 1 1
217 1 2 1 1 9 ARG HB3 A* 9 . HB1 1 1
218 1 1 1 1 9 ARG HA A* 9 . HA 1 1
218 1 2 1 1 9 ARG HB2 A* 9 . HB2 1 1
219 1 1 1 1 10 ARG H A* 10 . HN 1 1
219 1 2 1 1 10 ARG HA A* 10 . HA 1 1
220 1 1 1 1 10 ARG H A* 10 . HN 1 1
220 1 2 1 1 10 ARG QB A* 10 . HB# 1 1
221 1 1 1 1 11 ARG H A* 11 . HN 1 1
221 1 2 1 1 11 ARG QB A* 11 . HB# 1 1
222 1 1 1 1 11 ARG HA A* 11 . HA 1 1
222 1 2 1 1 11 ARG QB A* 11 . HB# 1 1
223 1 1 1 1 12 PHE H A* 12 . HN 1 1
223 1 2 1 1 12 PHE HA A* 12 . HA 1 1
224 1 1 1 1 12 PHE H A* 12 . HN 1 1
224 1 2 1 1 12 PHE HB3 A* 12 . HB1 1 1
225 1 1 1 1 12 PHE H A* 12 . HN 1 1
225 1 2 1 1 12 PHE HB2 A* 12 . HB2 1 1
226 1 1 1 1 12 PHE HA A* 12 . HA 1 1
226 1 2 1 1 12 PHE HB3 A* 12 . HB1 1 1
227 1 1 1 1 12 PHE HA A* 12 . HA 1 1
227 1 2 1 1 12 PHE HB2 A* 12 . HB2 1 1
228 1 1 1 1 13 CYS H A* 13 . HN 1 1
228 1 2 1 1 13 CYS HA A* 13 . HA 1 1
229 1 1 1 1 13 CYS H A* 13 . HN 1 1
229 1 2 1 1 13 CYS HB3 A* 13 . HB1 1 1
230 1 1 1 1 13 CYS H A* 13 . HN 1 1
230 1 2 1 1 13 CYS HB2 A* 13 . HB2 1 1
231 1 1 1 1 13 CYS HA A* 13 . HA 1 1
231 1 2 1 1 13 CYS HB3 A* 13 . HB1 1 1
232 1 1 1 1 13 CYS HA A* 13 . HA 1 1
232 1 2 1 1 13 CYS HB2 A* 13 . HB2 1 1
233 1 1 1 1 14 VAL H A* 14 . HN 1 1
233 1 2 1 1 14 VAL HA A* 14 . HA 1 1
234 1 1 1 1 14 VAL H A* 14 . HN 1 1
234 1 2 1 1 14 VAL HB A* 14 . HB 1 1
235 1 1 1 1 14 VAL HA A* 14 . HA 1 1
235 1 2 1 1 14 VAL HB A* 14 . HB 1 1
236 1 1 1 1 15 CYS H A* 15 . HN 1 1
236 1 2 1 1 15 CYS HA A* 15 . HA 1 1
237 1 1 1 1 15 CYS H A* 15 . HN 1 1
237 1 2 1 1 15 CYS HB3 A* 15 . HB1 1 1
238 1 1 1 1 15 CYS H A* 15 . HN 1 1
238 1 2 1 1 15 CYS HB2 A* 15 . HB2 1 1
239 1 1 1 1 15 CYS HA A* 15 . HA 1 1
239 1 2 1 1 15 CYS HB3 A* 15 . HB1 1 1
240 1 1 1 1 15 CYS HA A* 15 . HA 1 1
240 1 2 1 1 15 CYS HB2 A* 15 . HB2 1 1
241 1 1 1 1 16 VAL H A* 16 . HN 1 1
241 1 2 1 1 16 VAL HA A* 16 . HA 1 1
242 1 1 1 1 16 VAL H A* 16 . HN 1 1
242 1 2 1 1 16 VAL HB A* 16 . HB 1 1
243 1 1 1 1 16 VAL HA A* 16 . HA 1 1
243 1 2 1 1 16 VAL HB A* 16 . HB 1 1
244 1 1 1 1 17 GLY H A* 17 . HN 1 1
244 1 2 1 1 17 GLY QA A* 17 . HA# 1 1
245 1 1 1 1 18 ARG H A* 18 . HN 1 1
245 1 2 1 1 18 ARG QB A* 18 . HB# 1 1
246 1 1 1 1 18 ARG HA A* 18 . HA 1 1
246 1 2 1 1 18 ARG QB A* 18 . HB# 1 1
247 1 1 2 1 2 GLY H B* 2 . HN 1 1
247 1 2 2 1 2 GLY QA B* 2 . HA# 1 1
248 1 1 2 1 3 GLY H B* 3 . HN 1 1
248 1 2 2 1 3 GLY QA B* 3 . HA# 1 1
249 1 1 2 1 4 GLY H B* 4 . HN 1 1
249 1 2 2 1 4 GLY QA B* 4 . HA# 1 1
250 1 1 2 1 5 LEU H B* 5 . HN 1 1
250 1 2 2 1 5 LEU HA B* 5 . HA 1 1
251 1 1 2 1 5 LEU H B* 5 . HN 1 1
251 1 2 2 1 5 LEU QB B* 5 . HB# 1 1
252 1 1 2 1 5 LEU HA B* 5 . HA 1 1
252 1 2 2 1 5 LEU QB B* 5 . HB# 1 1
253 1 1 2 1 6 CYS H B* 6 . HN 1 1
253 1 2 2 1 6 CYS HA B* 6 . HA 1 1
254 1 1 2 1 6 CYS H B* 6 . HN 1 1
254 1 2 2 1 6 CYS QB B* 6 . HB# 1 1
255 1 1 2 1 7 TYR H B* 7 . HN 1 1
255 1 2 2 1 7 TYR HA B* 7 . HA 1 1
256 1 1 2 1 7 TYR H B* 7 . HN 1 1
256 1 2 2 1 7 TYR QB B* 7 . HB# 1 1
257 1 1 2 1 8 CYS H B* 8 . HN 1 1
257 1 2 2 1 8 CYS HA B* 8 . HA 1 1
258 1 1 2 1 8 CYS H B* 8 . HN 1 1
258 1 2 2 1 8 CYS HB3 B* 8 . HB1 1 1
259 1 1 2 1 8 CYS H B* 8 . HN 1 1
259 1 2 2 1 8 CYS HB2 B* 8 . HB2 1 1
260 1 1 2 1 8 CYS HA B* 8 . HA 1 1
260 1 2 2 1 8 CYS HB3 B* 8 . HB1 1 1
261 1 1 2 1 8 CYS HA B* 8 . HA 1 1
261 1 2 2 1 8 CYS HB2 B* 8 . HB2 1 1
262 1 1 2 1 9 ARG H B* 9 . HN 1 1
262 1 2 2 1 9 ARG HB3 B* 9 . HB1 1 1
263 1 1 2 1 9 ARG H B* 9 . HN 1 1
263 1 2 2 1 9 ARG HB2 B* 9 . HB2 1 1
264 1 1 2 1 9 ARG HA B* 9 . HA 1 1
264 1 2 2 1 9 ARG HB3 B* 9 . HB1 1 1
265 1 1 2 1 9 ARG HA B* 9 . HA 1 1
265 1 2 2 1 9 ARG HB2 B* 9 . HB2 1 1
266 1 1 2 1 10 ARG H B* 10 . HN 1 1
266 1 2 2 1 10 ARG HA B* 10 . HA 1 1
267 1 1 2 1 10 ARG H B* 10 . HN 1 1
267 1 2 2 1 10 ARG QB B* 10 . HB# 1 1
268 1 1 2 1 11 ARG H B* 11 . HN 1 1
268 1 2 2 1 11 ARG QB B* 11 . HB# 1 1
269 1 1 2 1 11 ARG HA B* 11 . HA 1 1
269 1 2 2 1 11 ARG QB B* 11 . HB# 1 1
270 1 1 2 1 12 PHE H B* 12 . HN 1 1
270 1 2 2 1 12 PHE HA B* 12 . HA 1 1
271 1 1 2 1 12 PHE H B* 12 . HN 1 1
271 1 2 2 1 12 PHE HB3 B* 12 . HB1 1 1
272 1 1 2 1 12 PHE H B* 12 . HN 1 1
272 1 2 2 1 12 PHE HB2 B* 12 . HB2 1 1
273 1 1 2 1 12 PHE HA B* 12 . HA 1 1
273 1 2 2 1 12 PHE HB3 B* 12 . HB1 1 1
274 1 1 2 1 12 PHE HA B* 12 . HA 1 1
274 1 2 2 1 12 PHE HB2 B* 12 . HB2 1 1
275 1 1 2 1 13 CYS H B* 13 . HN 1 1
275 1 2 2 1 13 CYS HA B* 13 . HA 1 1
276 1 1 2 1 13 CYS H B* 13 . HN 1 1
276 1 2 2 1 13 CYS HB3 B* 13 . HB1 1 1
277 1 1 2 1 13 CYS H B* 13 . HN 1 1
277 1 2 2 1 13 CYS HB2 B* 13 . HB2 1 1
278 1 1 2 1 13 CYS HA B* 13 . HA 1 1
278 1 2 2 1 13 CYS HB3 B* 13 . HB1 1 1
279 1 1 2 1 13 CYS HA B* 13 . HA 1 1
279 1 2 2 1 13 CYS HB2 B* 13 . HB2 1 1
280 1 1 2 1 14 VAL H B* 14 . HN 1 1
280 1 2 2 1 14 VAL HA B* 14 . HA 1 1
281 1 1 2 1 14 VAL H B* 14 . HN 1 1
281 1 2 2 1 14 VAL HB B* 14 . HB 1 1
282 1 1 2 1 14 VAL HA B* 14 . HA 1 1
282 1 2 2 1 14 VAL HB B* 14 . HB 1 1
283 1 1 2 1 15 CYS H B* 15 . HN 1 1
283 1 2 2 1 15 CYS HA B* 15 . HA 1 1
284 1 1 2 1 15 CYS H B* 15 . HN 1 1
284 1 2 2 1 15 CYS HB3 B* 15 . HB1 1 1
285 1 1 2 1 15 CYS H B* 15 . HN 1 1
285 1 2 2 1 15 CYS HB2 B* 15 . HB2 1 1
286 1 1 2 1 15 CYS HA B* 15 . HA 1 1
286 1 2 2 1 15 CYS HB3 B* 15 . HB1 1 1
287 1 1 2 1 15 CYS HA B* 15 . HA 1 1
287 1 2 2 1 15 CYS HB2 B* 15 . HB2 1 1
288 1 1 2 1 16 VAL H B* 16 . HN 1 1
288 1 2 2 1 16 VAL HA B* 16 . HA 1 1
289 1 1 2 1 16 VAL H B* 16 . HN 1 1
289 1 2 2 1 16 VAL HB B* 16 . HB 1 1
290 1 1 2 1 16 VAL HA B* 16 . HA 1 1
290 1 2 2 1 16 VAL HB B* 16 . HB 1 1
291 1 1 2 1 17 GLY H B* 17 . HN 1 1
291 1 2 2 1 17 GLY QA B* 17 . HA# 1 1
292 1 1 2 1 18 ARG H B* 18 . HN 1 1
292 1 2 2 1 18 ARG QB B* 18 . HB# 1 1
293 1 1 2 1 18 ARG HA B* 18 . HA 1 1
293 1 2 2 1 18 ARG QB B* 18 . HB# 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.5 1.8 2.7 1 1
2 1 . . . . . 2.5 1.8 2.7 1 1
3 1 . . . . . 2.5 1.8 2.7 1 1
4 1 . . . . . 2.5 1.8 2.7 1 1
5 1 . . . . . 2.5 1.8 2.7 1 1
6 1 . . . . . 2.5 1.8 2.7 1 1
7 1 . . . . . 2.5 1.8 2.7 1 1
8 1 . . . . . 3.0 2.3 3.5 1 1
9 1 . . . . . 2.5 1.8 2.7 1 1
10 1 . . . . . 2.5 1.8 2.7 1 1
11 1 . . . . . 2.5 1.8 2.7 1 1
12 1 . . . . . 2.5 1.8 2.7 1 1
13 1 . . . . . 2.5 1.8 2.7 1 1
14 1 . . . . . 2.5 1.8 2.7 1 1
15 1 . . . . . 2.5 1.8 2.7 1 1
16 1 . . . . . 4.0 2.3 5.0 1 1
17 1 . . . . . 4.0 2.3 5.0 1 1
18 1 . . . . . 4.0 2.3 5.0 1 1
19 1 . . . . . 4.0 2.3 5.0 1 1
20 1 . . . . . 4.0 2.3 5.0 1 1
21 1 . . . . . 4.0 2.3 5.0 1 1
22 1 . . . . . 4.0 3.0 7.0 1 1
23 1 . . . . . 4.0 2.5 7.0 1 1
24 1 . . . . . 3.0 1.8 3.5 1 1
25 1 . . . . . 4.0 2.3 5.0 1 1
26 1 . . . . . 4.0 2.3 5.0 1 1
27 1 . . . . . 4.0 2.3 5.0 1 1
28 1 . . . . . 4.0 2.3 5.0 1 1
29 1 . . . . . 4.0 2.3 5.0 1 1
30 1 . . . . . 2.5 1.8 2.7 1 1
31 1 . . . . . 3.0 1.8 3.5 1 1
32 1 . . . . . 4.0 2.3 5.0 1 1
33 1 . . . . . 4.0 2.3 5.0 1 1
34 1 . . . . . 3.0 2.3 3.5 1 1
35 1 . . . . . 3.0 1.8 3.5 1 1
36 1 . . . . . 4.0 2.3 5.0 1 1
37 1 . . . . . 4.0 2.3 5.0 1 1
38 1 . . . . . 3.0 1.8 3.5 1 1
39 1 . . . . . 4.0 2.3 5.0 1 1
40 1 . . . . . 3.0 1.8 3.5 1 1
41 1 . . . . . 3.0 1.8 3.5 1 1
42 1 . . . . . 3.0 1.8 4.0 1 1
43 1 . . . . . 4.0 3.0 7.0 1 1
44 1 . . . . . 4.0 3.0 7.0 1 1
45 1 . . . . . 4.0 3.0 7.0 1 1
46 1 . . . . . 4.0 2.3 5.0 1 1
47 1 . . . . . 4.0 2.3 5.0 1 1
48 1 . . . . . 4.0 2.3 5.0 1 1
49 1 . . . . . 4.0 3.0 7.0 1 1
50 1 . . . . . 4.0 3.0 7.0 1 1
51 1 . . . . . 4.0 2.3 5.0 1 1
52 1 . . . . . 4.0 3.0 6.0 1 1
53 1 . . . . . 4.0 2.3 5.0 1 1
54 1 . . . . . 4.0 3.0 7.0 1 1
55 1 . . . . . 4.0 3.0 6.0 1 1
56 1 . . . . . 4.0 2.3 5.0 1 1
57 1 . . . . . 4.0 3.0 7.0 1 1
58 1 . . . . . 3.0 1.8 3.5 1 1
59 1 . . . . . 4.0 2.3 5.0 1 1
60 1 . . . . . 4.0 3.0 6.0 1 1
61 1 . . . . . 4.0 3.0 6.0 1 1
62 1 . . . . . 4.0 2.3 5.0 1 1
63 1 . . . . . 4.0 2.3 5.0 1 1
64 1 . . . . . 3.0 1.8 4.0 1 1
65 1 . . . . . 4.0 2.3 5.0 1 1
66 1 . . . . . 4.0 2.3 5.0 1 1
67 1 . . . . . 4.0 2.3 5.0 1 1
68 1 . . . . . 4.0 2.3 5.0 1 1
69 1 . . . . . 4.0 2.3 5.0 1 1
70 1 . . . . . 4.0 3.0 6.0 1 1
71 1 . . . . . 4.0 2.3 5.0 1 1
72 1 . . . . . 4.0 3.0 6.0 1 1
73 1 . . . . . 4.0 3.0 7.0 1 1
74 1 . . . . . 4.0 2.3 5.0 1 1
75 1 . . . . . 4.0 3.0 6.0 1 1
76 1 . . . . . 4.0 2.3 5.0 1 1
77 1 . . . . . 4.0 2.3 5.0 1 1
78 1 . . . . . 4.0 2.6 5.0 1 1
79 1 . . . . . 4.0 3.0 6.0 1 1
80 1 . . . . . 3.0 1.8 4.0 1 1
81 1 . . . . . 4.0 2.3 5.0 1 1
82 1 . . . . . 4.0 3.0 6.0 1 1
83 1 . . . . . 4.0 3.0 6.0 1 1
84 1 . . . . . 3.0 1.8 4.0 1 1
85 1 . . . . . 4.0 2.3 5.0 1 1
86 1 . . . . . 4.0 3.0 6.0 1 1
87 1 . . . . . 4.0 3.0 6.0 1 1
88 1 . . . . . 4.0 2.3 5.0 1 1
89 1 . . . . . 4.0 2.3 5.0 1 1
90 1 . . . . . 4.0 2.3 5.0 1 1
91 1 . . . . . 4.0 2.3 5.0 1 1
92 1 . . . . . 4.0 2.3 5.0 1 1
93 1 . . . . . 4.0 2.3 5.0 1 1
94 1 . . . . . 4.0 2.3 5.0 1 1
95 1 . . . . . 4.0 2.3 5.0 1 1
96 1 . . . . . 4.0 2.3 6.0 1 1
97 1 . . . . . 4.0 3.0 7.0 1 1
98 1 . . . . . 4.0 3.0 6.0 1 1
99 1 . . . . . 4.0 2.3 5.0 1 1
100 1 . . . . . 4.0 2.3 5.0 1 1
101 1 . . . . . 2.5 1.8 2.7 1 1
102 1 . . . . . 2.5 1.8 2.7 1 1
103 1 . . . . . 2.5 1.8 2.7 1 1
104 1 . . . . . 2.5 1.8 2.7 1 1
105 1 . . . . . 2.5 1.8 2.7 1 1
106 1 . . . . . 2.5 1.8 2.7 1 1
107 1 . . . . . 2.5 1.8 2.7 1 1
108 1 . . . . . 3.0 2.3 3.5 1 1
109 1 . . . . . 2.5 1.8 2.7 1 1
110 1 . . . . . 2.5 1.8 2.7 1 1
111 1 . . . . . 2.5 1.8 2.7 1 1
112 1 . . . . . 2.5 1.8 2.7 1 1
113 1 . . . . . 2.5 1.8 2.7 1 1
114 1 . . . . . 2.5 1.8 2.7 1 1
115 1 . . . . . 2.5 1.8 2.7 1 1
116 1 . . . . . 4.0 2.3 5.0 1 1
117 1 . . . . . 4.0 2.3 5.0 1 1
118 1 . . . . . 4.0 2.3 5.0 1 1
119 1 . . . . . 4.0 2.3 5.0 1 1
120 1 . . . . . 4.0 2.3 5.0 1 1
121 1 . . . . . 4.0 2.3 5.0 1 1
122 1 . . . . . 4.0 3.0 7.0 1 1
123 1 . . . . . 4.0 2.5 7.0 1 1
124 1 . . . . . 3.0 1.8 3.5 1 1
125 1 . . . . . 4.0 2.3 5.0 1 1
126 1 . . . . . 4.0 2.3 5.0 1 1
127 1 . . . . . 4.0 2.3 5.0 1 1
128 1 . . . . . 4.0 2.3 5.0 1 1
129 1 . . . . . 4.0 2.3 5.0 1 1
130 1 . . . . . 2.5 1.8 2.7 1 1
131 1 . . . . . 3.0 1.8 3.5 1 1
132 1 . . . . . 4.0 2.3 5.0 1 1
133 1 . . . . . 4.0 2.3 5.0 1 1
134 1 . . . . . 3.0 1.8 3.5 1 1
135 1 . . . . . 4.0 2.3 5.0 1 1
136 1 . . . . . 3.0 1.8 3.5 1 1
137 1 . . . . . 4.0 2.3 5.0 1 1
138 1 . . . . . 4.0 2.3 5.0 1 1
139 1 . . . . . 3.0 1.8 3.5 1 1
140 1 . . . . . 4.0 2.3 5.0 1 1
141 1 . . . . . 3.0 1.8 3.5 1 1
142 1 . . . . . 3.0 1.8 3.5 1 1
143 1 . . . . . 3.0 1.8 4.0 1 1
144 1 . . . . . 4.0 3.0 7.0 1 1
145 1 . . . . . 4.0 3.0 7.0 1 1
146 1 . . . . . 4.0 3.0 7.0 1 1
147 1 . . . . . 4.0 2.3 5.0 1 1
148 1 . . . . . 4.0 2.3 5.0 1 1
149 1 . . . . . 4.0 2.3 5.0 1 1
150 1 . . . . . 4.0 3.0 7.0 1 1
151 1 . . . . . 4.0 3.0 7.0 1 1
152 1 . . . . . 4.0 2.3 5.0 1 1
153 1 . . . . . 4.0 3.0 6.0 1 1
154 1 . . . . . 4.0 2.3 5.0 1 1
155 1 . . . . . 4.0 3.0 7.0 1 1
156 1 . . . . . 4.0 3.0 6.0 1 1
157 1 . . . . . 4.0 2.3 5.0 1 1
158 1 . . . . . 4.0 3.0 7.0 1 1
159 1 . . . . . 3.0 1.8 3.5 1 1
160 1 . . . . . 4.0 2.3 5.0 1 1
161 1 . . . . . 4.0 3.0 6.0 1 1
162 1 . . . . . 4.0 3.0 6.0 1 1
163 1 . . . . . 4.0 2.3 5.0 1 1
164 1 . . . . . 4.0 2.3 5.0 1 1
165 1 . . . . . 3.0 1.8 4.0 1 1
166 1 . . . . . 4.0 2.3 5.0 1 1
167 1 . . . . . 4.0 2.3 5.0 1 1
168 1 . . . . . 4.0 2.3 5.0 1 1
169 1 . . . . . 4.0 2.3 5.0 1 1
170 1 . . . . . 4.0 2.3 5.0 1 1
171 1 . . . . . 4.0 3.0 6.0 1 1
172 1 . . . . . 4.0 2.3 5.0 1 1
173 1 . . . . . 4.0 3.0 6.0 1 1
174 1 . . . . . 4.0 3.0 7.0 1 1
175 1 . . . . . 4.0 2.3 5.0 1 1
176 1 . . . . . 4.0 3.0 6.0 1 1
177 1 . . . . . 4.0 2.3 5.0 1 1
178 1 . . . . . 4.0 2.3 5.0 1 1
179 1 . . . . . 4.0 2.6 5.0 1 1
180 1 . . . . . 4.0 3.0 6.0 1 1
181 1 . . . . . 3.0 1.8 4.0 1 1
182 1 . . . . . 4.0 2.3 5.0 1 1
183 1 . . . . . 4.0 3.0 6.0 1 1
184 1 . . . . . 4.0 3.0 6.0 1 1
185 1 . . . . . 3.0 1.8 4.0 1 1
186 1 . . . . . 4.0 2.3 5.0 1 1
187 1 . . . . . 4.0 3.0 6.0 1 1
188 1 . . . . . 4.0 3.0 6.0 1 1
189 1 . . . . . 4.0 2.3 5.0 1 1
190 1 . . . . . 4.0 2.3 5.0 1 1
191 1 . . . . . 4.0 2.3 5.0 1 1
192 1 . . . . . 4.0 2.3 5.0 1 1
193 1 . . . . . 4.0 2.3 5.0 1 1
194 1 . . . . . 4.0 2.3 5.0 1 1
195 1 . . . . . 4.0 2.3 5.0 1 1
196 1 . . . . . 4.0 2.3 5.0 1 1
197 1 . . . . . 4.0 2.3 6.0 1 1
198 1 . . . . . 4.0 3.0 7.0 1 1
199 1 . . . . . 4.0 3.0 6.0 1 1
200 1 . . . . . 4.0 2.3 5.0 1 1
201 1 . . . . . 4.0 2.3 5.0 1 1
202 1 . . . . . 2.5 1.8 2.7 1 1
203 1 . . . . . 2.5 1.8 2.7 1 1
204 1 . . . . . 2.5 1.8 2.7 1 1
205 1 . . . . . 3.0 1.8 3.5 1 1
206 1 . . . . . 3.0 1.8 3.5 1 1
207 1 . . . . . 4.0 2.3 5.0 1 1
208 1 . . . . . 4.0 2.3 5.0 1 1
209 1 . . . . . 4.0 2.3 5.0 1 1
210 1 . . . . . 3.0 1.8 3.5 1 1
211 1 . . . . . 3.0 1.8 3.5 1 1
212 1 . . . . . 3.0 1.8 3.5 1 1
213 1 . . . . . 3.0 2.3 3.5 1 1
214 1 . . . . . . 2.3 3.5 1 1
215 1 . . . . . 3.0 1.8 3.5 1 1
216 1 . . . . . 2.5 1.8 2.7 1 1
217 1 . . . . . 3.0 1.8 3.5 1 1
218 1 . . . . . 3.0 1.8 3.5 1 1
219 1 . . . . . 2.5 1.8 2.7 1 1
220 1 . . . . . 3.0 1.8 3.5 1 1
221 1 . . . . . 2.5 1.8 2.7 1 1
222 1 . . . . . 2.5 1.8 2.7 1 1
223 1 . . . . . 3.0 1.8 3.5 1 1
224 1 . . . . . 3.0 1.8 3.5 1 1
225 1 . . . . . 4.0 2.3 5.0 1 1
226 1 . . . . . 3.0 1.8 3.5 1 1
227 1 . . . . . 3.0 1.8 3.5 1 1
228 1 . . . . . 3.0 1.8 3.5 1 1
229 1 . . . . . 3.0 1.8 3.5 1 1
230 1 . . . . . 2.5 1.8 2.7 1 1
231 1 . . . . . 3.0 1.8 3.5 1 1
232 1 . . . . . 2.5 1.8 2.7 1 1
233 1 . . . . . 3.0 1.8 3.5 1 1
234 1 . . . . . 3.0 1.8 3.5 1 1
235 1 . . . . . 2.5 1.8 2.7 1 1
236 1 . . . . . 3.0 1.8 3.5 1 1
237 1 . . . . . 3.0 1.8 4.0 1 1
238 1 . . . . . 2.5 1.8 2.7 1 1
239 1 . . . . . 2.5 1.8 2.7 1 1
240 1 . . . . . 3.0 1.8 3.5 1 1
241 1 . . . . . 3.0 1.8 3.5 1 1
242 1 . . . . . 3.0 1.8 4.0 1 1
243 1 . . . . . 2.5 1.8 2.7 1 1
244 1 . . . . . 2.5 1.8 2.7 1 1
245 1 . . . . . 3.0 1.8 3.5 1 1
246 1 . . . . . 2.5 1.8 2.7 1 1
247 1 . . . . . 2.5 1.8 2.7 1 1
248 1 . . . . . 2.5 1.8 2.7 1 1
249 1 . . . . . 2.5 1.8 2.7 1 1
250 1 . . . . . 3.0 1.8 3.5 1 1
251 1 . . . . . 3.0 1.8 3.5 1 1
252 1 . . . . . 4.0 2.3 5.0 1 1
253 1 . . . . . 4.0 2.3 5.0 1 1
254 1 . . . . . 4.0 2.3 5.0 1 1
255 1 . . . . . 3.0 1.8 3.5 1 1
256 1 . . . . . 3.0 1.8 3.5 1 1
257 1 . . . . . 3.0 1.8 3.5 1 1
258 1 . . . . . 3.0 1.8 3.5 1 1
259 1 . . . . . 4.0 2.3 5.0 1 1
260 1 . . . . . 4.0 2.3 5.0 1 1
261 1 . . . . . 3.0 1.8 3.5 1 1
262 1 . . . . . 3.0 1.8 3.5 1 1
263 1 . . . . . 2.5 1.8 2.7 1 1
264 1 . . . . . 3.0 1.8 3.5 1 1
265 1 . . . . . 3.0 1.8 3.5 1 1
266 1 . . . . . 2.5 1.8 2.7 1 1
267 1 . . . . . 3.0 1.8 3.5 1 1
268 1 . . . . . 2.5 1.8 2.7 1 1
269 1 . . . . . 2.5 1.8 2.7 1 1
270 1 . . . . . 3.0 1.8 3.5 1 1
271 1 . . . . . 3.0 1.8 3.5 1 1
272 1 . . . . . 4.0 2.3 5.0 1 1
273 1 . . . . . 3.0 1.8 3.5 1 1
274 1 . . . . . 3.0 1.8 3.5 1 1
275 1 . . . . . 3.0 1.8 3.5 1 1
276 1 . . . . . 3.0 1.8 3.5 1 1
277 1 . . . . . 2.5 1.8 2.7 1 1
278 1 . . . . . 3.0 1.8 3.5 1 1
279 1 . . . . . 2.5 1.8 2.7 1 1
280 1 . . . . . 3.0 1.8 3.5 1 1
281 1 . . . . . 3.0 1.8 3.5 1 1
282 1 . . . . . 2.5 1.8 2.7 1 1
283 1 . . . . . 3.0 1.8 3.5 1 1
284 1 . . . . . 3.0 1.8 4.0 1 1
285 1 . . . . . 2.5 1.8 2.7 1 1
286 1 . . . . . 2.5 1.8 2.7 1 1
287 1 . . . . . 3.0 1.8 3.5 1 1
288 1 . . . . . 3.0 1.8 3.5 1 1
289 1 . . . . . 3.0 1.8 4.0 1 1
290 1 . . . . . 2.5 1.8 2.7 1 1
291 1 . . . . . 2.5 1.8 2.7 1 1
292 1 . . . . . 3.0 1.8 3.5 1 1
293 1 . . . . . 2.5 1.8 2.7 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
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 PHE QD A* 12 . HD# 1 2
1 1 2 2 1 16 VAL QG B* 16 . HG# 1 2
2 1 1 1 1 16 VAL QG A* 16 . HG# 1 2
2 1 2 2 1 12 PHE QD B* 12 . HD# 1 2
3 1 1 1 1 12 PHE QE A* 12 . HE# 1 2
3 1 2 2 1 16 VAL QG B* 16 . HG# 1 2
4 1 1 1 1 16 VAL QG A* 16 . HG# 1 2
4 1 2 2 1 12 PHE QE B* 12 . HE# 1 2
5 1 1 1 1 12 PHE QD A* 12 . HD# 1 2
5 1 2 2 1 16 VAL HB B* 16 . HB 1 2
6 1 1 1 1 16 VAL HB A* 16 . HB 1 2
6 1 2 2 1 12 PHE QD B* 12 . HD# 1 2
7 1 1 1 1 12 PHE QE A* 12 . HE# 1 2
7 1 2 2 1 16 VAL HB B* 16 . HB 1 2
8 1 1 1 1 16 VAL HB A* 16 . HB 1 2
8 1 2 2 1 12 PHE QE B* 12 . HE# 1 2
9 1 1 1 1 14 VAL MG2 A* 14 . HG2# 1 2
9 1 2 2 1 15 CYS HB2 B* 15 . HB2 1 2
10 1 1 1 1 15 CYS HB2 A* 15 . HB2 1 2
10 1 2 2 1 14 VAL MG2 B* 14 . HG2# 1 2
11 1 1 1 1 14 VAL HA A* 14 . HA 1 2
11 1 2 2 1 16 VAL QG B* 16 . HG# 1 2
12 1 1 1 1 16 VAL QG A* 16 . HG# 1 2
12 1 2 2 1 14 VAL HA B* 14 . HA 1 2
13 1 1 1 1 16 VAL QG A* 16 . HG# 1 2
13 1 2 2 1 15 CYS H B* 15 . HN 1 2
14 1 1 1 1 15 CYS H A* 15 . HN 1 2
14 1 2 2 1 16 VAL QG B* 16 . HG# 1 2
15 1 1 1 1 15 CYS QB A* 15 . HB# 1 2
15 1 2 2 1 16 VAL QG B* 16 . HG# 1 2
16 1 1 1 1 16 VAL QG A* 16 . HG# 1 2
16 1 2 2 1 15 CYS QB B* 15 . HB# 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.0 3.0 7.0 1 2
2 1 . . . . . 4.0 3.0 7.0 1 2
3 1 . . . . . 4.0 3.0 7.0 1 2
4 1 . . . . . 4.0 3.0 7.0 1 2
5 1 . . . . . 4.0 3.0 7.0 1 2
6 1 . . . . . 4.0 3.0 7.0 1 2
7 1 . . . . . 4.0 3.0 7.0 1 2
8 1 . . . . . 4.0 3.0 7.0 1 2
9 1 . . . . . 4.0 3.0 7.0 1 2
10 1 . . . . . 4.0 3.0 7.0 1 2
11 1 . . . . . 4.0 3.0 7.0 1 2
12 1 . . . . . 4.0 3.0 7.0 1 2
13 1 . . . . . 4.0 3.0 7.0 1 2
14 1 . . . . . 4.0 3.0 7.0 1 2
15 1 . . . . . 4.0 3.0 7.0 1 2
16 1 . . . . . 4.0 3.0 7.0 1 2
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 3
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
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 ARG O A* 9 . O 1 3
1 1 2 1 1 12 PHE N A* 12 . N 1 3
2 1 1 1 1 9 ARG N A* 9 . N 1 3
2 1 2 1 1 12 PHE O A* 12 . O 1 3
3 1 1 1 1 7 TYR O A* 7 . O 1 3
3 1 2 1 1 14 VAL N A* 14 . N 1 3
4 1 1 1 1 7 TYR N A* 7 . N 1 3
4 1 2 1 1 14 VAL O A* 14 . O 1 3
5 1 1 1 1 5 LEU O A* 5 . O 1 3
5 1 2 1 1 16 VAL N A* 16 . N 1 3
6 1 1 1 1 5 LEU N A* 5 . N 1 3
6 1 2 1 1 16 VAL O A* 16 . O 1 3
7 1 1 1 1 9 ARG O A* 9 . O 1 3
7 1 2 1 1 11 ARG H A* 11 . HN 1 3
8 1 1 1 1 9 ARG O A* 9 . O 1 3
8 1 2 1 1 12 PHE H A* 12 . HN 1 3
9 1 1 1 1 9 ARG H A* 9 . HN 1 3
9 1 2 1 1 12 PHE O A* 12 . O 1 3
10 1 1 1 1 7 TYR O A* 7 . O 1 3
10 1 2 1 1 14 VAL H A* 14 . HN 1 3
11 1 1 1 1 7 TYR H A* 7 . HN 1 3
11 1 2 1 1 14 VAL O A* 14 . O 1 3
12 1 1 1 1 5 LEU O A* 5 . O 1 3
12 1 2 1 1 16 VAL H A* 16 . HN 1 3
13 1 1 1 1 5 LEU H A* 5 . HN 1 3
13 1 2 1 1 16 VAL O A* 16 . O 1 3
14 1 1 2 1 9 ARG O B* 9 . O 1 3
14 1 2 2 1 12 PHE N B* 12 . N 1 3
15 1 1 2 1 9 ARG N B* 9 . N 1 3
15 1 2 2 1 12 PHE O B* 12 . O 1 3
16 1 1 2 1 7 TYR O B* 7 . O 1 3
16 1 2 2 1 14 VAL N B* 14 . N 1 3
17 1 1 2 1 7 TYR N B* 7 . N 1 3
17 1 2 2 1 14 VAL O B* 14 . O 1 3
18 1 1 2 1 5 LEU O B* 5 . O 1 3
18 1 2 2 1 16 VAL N B* 16 . N 1 3
19 1 1 2 1 5 LEU N B* 5 . N 1 3
19 1 2 2 1 16 VAL O B* 16 . O 1 3
20 1 1 2 1 9 ARG O B* 9 . O 1 3
20 1 2 2 1 11 ARG H B* 11 . HN 1 3
21 1 1 2 1 9 ARG O B* 9 . O 1 3
21 1 2 2 1 12 PHE H B* 12 . HN 1 3
22 1 1 2 1 9 ARG H B* 9 . HN 1 3
22 1 2 2 1 12 PHE O B* 12 . O 1 3
23 1 1 2 1 7 TYR O B* 7 . O 1 3
23 1 2 2 1 14 VAL H B* 14 . HN 1 3
24 1 1 2 1 7 TYR H B* 7 . HN 1 3
24 1 2 2 1 14 VAL O B* 14 . O 1 3
25 1 1 2 1 5 LEU O B* 5 . O 1 3
25 1 2 2 1 16 VAL H B* 16 . HN 1 3
26 1 1 2 1 5 LEU H B* 5 . HN 1 3
26 1 2 2 1 16 VAL O B* 16 . O 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 2.4 3.3 1 3
2 1 . . . . . 2.8 2.4 3.3 1 3
3 1 . . . . . 2.8 2.4 3.3 1 3
4 1 . . . . . 2.8 2.4 3.3 1 3
5 1 . . . . . 2.8 2.4 3.3 1 3
6 1 . . . . . 2.8 2.4 3.3 1 3
7 1 . . . . . 2.8 2.4 3.3 1 3
8 1 . . . . . 1.8 1.5 2.3 1 3
9 1 . . . . . 1.8 1.5 2.3 1 3
10 1 . . . . . 1.8 1.5 2.3 1 3
11 1 . . . . . 1.8 1.5 2.3 1 3
12 1 . . . . . 1.8 1.5 2.3 1 3
13 1 . . . . . 1.8 1.5 2.3 1 3
14 1 . . . . . 2.8 2.4 3.3 1 3
15 1 . . . . . 2.8 2.4 3.3 1 3
16 1 . . . . . 2.8 2.4 3.3 1 3
17 1 . . . . . 2.8 2.4 3.3 1 3
18 1 . . . . . 2.8 2.4 3.3 1 3
19 1 . . . . . 2.8 2.4 3.3 1 3
20 1 . . . . . 2.8 2.4 3.3 1 3
21 1 . . . . . 1.8 1.5 2.3 1 3
22 1 . . . . . 1.8 1.5 2.3 1 3
23 1 . . . . . 1.8 1.5 2.3 1 3
24 1 . . . . . 1.8 1.5 2.3 1 3
25 1 . . . . . 1.8 1.5 2.3 1 3
26 1 . . . . . 1.8 1.5 2.3 1 3
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 4
_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 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
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 17 GLY N A* 17 . N 1 4
1 1 2 2 1 13 CYS O B* 13 . O 1 4
2 1 1 1 1 17 GLY O A* 17 . O 1 4
2 1 2 2 1 13 CYS N B* 13 . N 1 4
3 1 1 1 1 15 CYS N A* 15 . N 1 4
3 1 2 2 1 15 CYS O B* 15 . O 1 4
4 1 1 1 1 15 CYS O A* 15 . O 1 4
4 1 2 2 1 15 CYS N B* 15 . N 1 4
5 1 1 1 1 17 GLY H A* 17 . HN 1 4
5 1 2 2 1 13 CYS O B* 13 . O 1 4
6 1 1 1 1 17 GLY O A* 17 . O 1 4
6 1 2 2 1 13 CYS H B* 13 . HN 1 4
7 1 1 1 1 15 CYS H A* 15 . HN 1 4
7 1 2 2 1 15 CYS O B* 15 . O 1 4
8 1 1 1 1 15 CYS O A* 15 . O 1 4
8 1 2 2 1 15 CYS H B* 15 . HN 1 4
9 1 1 1 1 14 VAL HA A* 14 . HA 1 4
9 1 2 2 1 16 VAL HA B* 16 . HA 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 . . . . . 2.8 2.4 3.3 1 4
2 1 . . . . . 2.8 2.4 3.3 1 4
3 1 . . . . . 2.8 2.4 3.3 1 4
4 1 . . . . . 2.8 2.4 3.3 1 4
5 1 . . . . . 1.8 1.5 2.3 1 4
6 1 . . . . . 1.8 1.5 2.3 1 4
7 1 . . . . . 1.8 1.5 2.3 1 4
8 1 . . . . . 1.8 1.5 2.3 1 4
9 1 . . . . . 1.8 1.5 2.3 1 4
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 ARG C C 38.482 8.666 -11.655 1.00 . A A . 1 ARG C 1 1
1 2 1 1 1 ARG CA C 39.244 9.078 -12.918 1.00 . A A . 1 ARG CA 1 1
1 3 1 1 1 ARG CB C 39.108 8.005 -14.000 1.00 . A A . 1 ARG CB 1 1
1 4 1 1 1 ARG CD C 40.205 8.409 -16.215 1.00 . A A . 1 ARG CD 1 1
1 5 1 1 1 ARG CG C 38.954 8.671 -15.372 1.00 . A A . 1 ARG CG 1 1
1 6 1 1 1 ARG CZ C 40.759 6.607 -17.760 1.00 . A A . 1 ARG CZ 1 1
1 7 1 1 1 ARG H1 H 40.889 9.933 -11.966 1.00 . A A . 1 ARG H1 1 1
1 8 1 1 1 ARG H2 H 41.222 9.334 -13.521 1.00 . A A . 1 ARG H2 1 1
1 9 1 1 1 ARG H3 H 41.028 8.261 -12.218 1.00 . A A . 1 ARG H3 1 1
1 10 1 1 1 ARG HA H 38.880 10.024 -13.287 1.00 . A A . 1 ARG HA 1 1
1 11 1 1 1 ARG HB2 H 39.989 7.380 -13.998 1.00 . A A . 1 ARG HB2 1 1
1 12 1 1 1 ARG HB3 H 38.237 7.400 -13.798 1.00 . A A . 1 ARG HB3 1 1
1 13 1 1 1 ARG HD2 H 40.275 9.132 -17.016 1.00 . A A . 1 ARG HD2 1 1
1 14 1 1 1 ARG HD3 H 41.089 8.443 -15.597 1.00 . A A . 1 ARG HD3 1 1
1 15 1 1 1 ARG HE H 39.336 6.446 -16.381 1.00 . A A . 1 ARG HE 1 1
1 16 1 1 1 ARG HG2 H 38.090 8.262 -15.874 1.00 . A A . 1 ARG HG2 1 1
1 17 1 1 1 ARG HG3 H 38.825 9.736 -15.246 1.00 . A A . 1 ARG HG3 1 1
1 18 1 1 1 ARG HH11 H 41.825 8.298 -17.938 1.00 . A A . 1 ARG HH11 1 1
1 19 1 1 1 ARG HH12 H 42.235 7.035 -19.047 1.00 . A A . 1 ARG HH12 1 1
1 20 1 1 1 ARG HH21 H 39.877 4.811 -17.828 1.00 . A A . 1 ARG HH21 1 1
1 21 1 1 1 ARG HH22 H 41.138 5.070 -18.986 1.00 . A A . 1 ARG HH22 1 1
1 22 1 1 1 ARG N N 40.707 9.157 -12.634 1.00 . A A . 1 ARG N 1 1
1 23 1 1 1 ARG NE N 40.019 7.035 -16.766 1.00 . A A . 1 ARG NE 1 1
1 24 1 1 1 ARG NH1 N 41.678 7.374 -18.289 1.00 . A A . 1 ARG NH1 1 1
1 25 1 1 1 ARG NH2 N 40.577 5.402 -18.228 1.00 . A A . 1 ARG NH2 1 1
1 26 1 1 1 ARG O O 39.067 8.427 -10.616 1.00 . A A . 1 ARG O 1 1
1 27 1 1 2 GLY C C 36.083 6.686 -10.604 1.00 . A A . 2 GLY C 1 1
1 28 1 1 2 GLY CA C 36.379 8.185 -10.545 1.00 . A A . 2 GLY CA 1 1
1 29 1 1 2 GLY H H 36.732 8.779 -12.586 1.00 . A A . 2 GLY H 1 1
1 30 1 1 2 GLY HA2 H 36.937 8.409 -9.646 1.00 . A A . 2 GLY HA2 1 1
1 31 1 1 2 GLY HA3 H 35.449 8.732 -10.538 1.00 . A A . 2 GLY HA3 1 1
1 32 1 1 2 GLY N N 37.181 8.582 -11.738 1.00 . A A . 2 GLY N 1 1
1 33 1 1 2 GLY O O 36.440 6.010 -11.550 1.00 . A A . 2 GLY O 1 1
1 34 1 1 3 GLY C C 34.255 4.370 -8.375 1.00 . A A . 3 GLY C 1 1
1 35 1 1 3 GLY CA C 35.112 4.704 -9.598 1.00 . A A . 3 GLY CA 1 1
1 36 1 1 3 GLY H H 35.154 6.724 -8.849 1.00 . A A . 3 GLY H 1 1
1 37 1 1 3 GLY HA2 H 34.570 4.453 -10.499 1.00 . A A . 3 GLY HA2 1 1
1 38 1 1 3 GLY HA3 H 36.027 4.134 -9.557 1.00 . A A . 3 GLY HA3 1 1
1 39 1 1 3 GLY N N 35.432 6.160 -9.601 1.00 . A A . 3 GLY N 1 1
1 40 1 1 3 GLY O O 33.445 5.164 -7.939 1.00 . A A . 3 GLY O 1 1
1 41 1 1 4 GLY C C 34.454 1.896 -5.725 1.00 . A A . 4 GLY C 1 1
1 42 1 1 4 GLY CA C 33.624 2.813 -6.625 1.00 . A A . 4 GLY CA 1 1
1 43 1 1 4 GLY H H 35.087 2.576 -8.189 1.00 . A A . 4 GLY H 1 1
1 44 1 1 4 GLY HA2 H 33.344 3.701 -6.077 1.00 . A A . 4 GLY HA2 1 1
1 45 1 1 4 GLY HA3 H 32.735 2.290 -6.944 1.00 . A A . 4 GLY HA3 1 1
1 46 1 1 4 GLY N N 34.428 3.200 -7.820 1.00 . A A . 4 GLY N 1 1
1 47 1 1 4 GLY O O 35.290 1.146 -6.189 1.00 . A A . 4 GLY O 1 1
1 48 1 1 5 LEU C C 34.072 0.063 -2.843 1.00 . A A . 5 LEU C 1 1
1 49 1 1 5 LEU CA C 35.003 1.082 -3.505 1.00 . A A . 5 LEU CA 1 1
1 50 1 1 5 LEU CB C 35.584 2.041 -2.460 1.00 . A A . 5 LEU CB 1 1
1 51 1 1 5 LEU CD1 C 37.715 0.725 -2.348 1.00 . A A . 5 LEU CD1 1 1
1 52 1 1 5 LEU CD2 C 37.474 2.574 -4.015 1.00 . A A . 5 LEU CD2 1 1
1 53 1 1 5 LEU CG C 37.109 2.109 -2.602 1.00 . A A . 5 LEU CG 1 1
1 54 1 1 5 LEU H H 33.549 2.563 -4.088 1.00 . A A . 5 LEU H 1 1
1 55 1 1 5 LEU HA H 35.799 0.580 -4.031 1.00 . A A . 5 LEU HA 1 1
1 56 1 1 5 LEU HB2 H 35.166 3.026 -2.605 1.00 . A A . 5 LEU HB2 1 1
1 57 1 1 5 LEU HB3 H 35.334 1.688 -1.470 1.00 . A A . 5 LEU HB3 1 1
1 58 1 1 5 LEU HD11 H 38.533 0.559 -3.033 1.00 . A A . 5 LEU HD11 1 1
1 59 1 1 5 LEU HD12 H 36.961 -0.033 -2.497 1.00 . A A . 5 LEU HD12 1 1
1 60 1 1 5 LEU HD13 H 38.081 0.674 -1.333 1.00 . A A . 5 LEU HD13 1 1
1 61 1 1 5 LEU HD21 H 38.395 3.138 -3.981 1.00 . A A . 5 LEU HD21 1 1
1 62 1 1 5 LEU HD22 H 36.683 3.198 -4.404 1.00 . A A . 5 LEU HD22 1 1
1 63 1 1 5 LEU HD23 H 37.602 1.714 -4.656 1.00 . A A . 5 LEU HD23 1 1
1 64 1 1 5 LEU HG H 37.504 2.809 -1.879 1.00 . A A . 5 LEU HG 1 1
1 65 1 1 5 LEU N N 34.228 1.951 -4.440 1.00 . A A . 5 LEU N 1 1
1 66 1 1 5 LEU O O 33.034 0.409 -2.314 1.00 . A A . 5 LEU O 1 1
1 67 1 1 6 CYS C C 34.420 -3.187 -1.394 1.00 . A A . 6 CYS C 1 1
1 68 1 1 6 CYS CA C 33.572 -2.234 -2.241 1.00 . A A . 6 CYS CA 1 1
1 69 1 1 6 CYS CB C 32.938 -2.981 -3.415 1.00 . A A . 6 CYS CB 1 1
1 70 1 1 6 CYS H H 35.277 -1.448 -3.301 1.00 . A A . 6 CYS H 1 1
1 71 1 1 6 CYS HA H 32.805 -1.775 -1.639 1.00 . A A . 6 CYS HA 1 1
1 72 1 1 6 CYS HB2 H 33.601 -2.944 -4.266 1.00 . A A . 6 CYS HB2 1 1
1 73 1 1 6 CYS HB3 H 32.767 -4.011 -3.136 1.00 . A A . 6 CYS HB3 1 1
1 74 1 1 6 CYS N N 34.436 -1.192 -2.869 1.00 . A A . 6 CYS N 1 1
1 75 1 1 6 CYS O O 35.402 -3.734 -1.854 1.00 . A A . 6 CYS O 1 1
1 76 1 1 6 CYS SG S 31.360 -2.204 -3.844 1.00 . A A . 6 CYS SG 1 1
1 77 1 1 7 TYR C C 33.944 -5.481 1.164 1.00 . A A . 7 TYR C 1 1
1 78 1 1 7 TYR CA C 34.823 -4.308 0.720 1.00 . A A . 7 TYR CA 1 1
1 79 1 1 7 TYR CB C 35.229 -3.455 1.924 1.00 . A A . 7 TYR CB 1 1
1 80 1 1 7 TYR CD1 C 37.081 -2.149 0.819 1.00 . A A . 7 TYR CD1 1 1
1 81 1 1 7 TYR CD2 C 37.632 -3.619 2.667 1.00 . A A . 7 TYR CD2 1 1
1 82 1 1 7 TYR CE1 C 38.429 -1.788 0.705 1.00 . A A . 7 TYR CE1 1 1
1 83 1 1 7 TYR CE2 C 38.980 -3.258 2.553 1.00 . A A . 7 TYR CE2 1 1
1 84 1 1 7 TYR CG C 36.683 -3.065 1.800 1.00 . A A . 7 TYR CG 1 1
1 85 1 1 7 TYR CZ C 39.378 -2.342 1.573 1.00 . A A . 7 TYR CZ 1 1
1 86 1 1 7 TYR H H 33.246 -2.938 0.188 1.00 . A A . 7 TYR H 1 1
1 87 1 1 7 TYR HA H 35.701 -4.667 0.208 1.00 . A A . 7 TYR HA 1 1
1 88 1 1 7 TYR HB2 H 34.618 -2.565 1.957 1.00 . A A . 7 TYR HB2 1 1
1 89 1 1 7 TYR HB3 H 35.086 -4.023 2.832 1.00 . A A . 7 TYR HB3 1 1
1 90 1 1 7 TYR HD1 H 36.349 -1.722 0.150 1.00 . A A . 7 TYR HD1 1 1
1 91 1 1 7 TYR HD2 H 37.325 -4.326 3.424 1.00 . A A . 7 TYR HD2 1 1
1 92 1 1 7 TYR HE1 H 38.736 -1.081 -0.051 1.00 . A A . 7 TYR HE1 1 1
1 93 1 1 7 TYR HE2 H 39.712 -3.685 3.222 1.00 . A A . 7 TYR HE2 1 1
1 94 1 1 7 TYR HH H 40.783 -1.053 1.674 1.00 . A A . 7 TYR HH 1 1
1 95 1 1 7 TYR N N 34.043 -3.389 -0.160 1.00 . A A . 7 TYR N 1 1
1 96 1 1 7 TYR O O 32.828 -5.297 1.610 1.00 . A A . 7 TYR O 1 1
1 97 1 1 7 TYR OH O 40.707 -1.985 1.460 1.00 . A A . 7 TYR OH 1 1
1 98 1 1 8 CYS C C 34.454 -8.782 2.366 1.00 . A A . 8 CYS C 1 1
1 99 1 1 8 CYS CA C 33.629 -7.869 1.453 1.00 . A A . 8 CYS CA 1 1
1 100 1 1 8 CYS CB C 33.283 -8.587 0.145 1.00 . A A . 8 CYS CB 1 1
1 101 1 1 8 CYS H H 35.338 -6.808 0.677 1.00 . A A . 8 CYS H 1 1
1 102 1 1 8 CYS HA H 32.727 -7.554 1.952 1.00 . A A . 8 CYS HA 1 1
1 103 1 1 8 CYS HB2 H 33.576 -7.970 -0.692 1.00 . A A . 8 CYS HB2 1 1
1 104 1 1 8 CYS HB3 H 33.812 -9.528 0.100 1.00 . A A . 8 CYS HB3 1 1
1 105 1 1 8 CYS N N 34.437 -6.684 1.041 1.00 . A A . 8 CYS N 1 1
1 106 1 1 8 CYS O O 35.615 -9.041 2.114 1.00 . A A . 8 CYS O 1 1
1 107 1 1 8 CYS SG S 31.500 -8.894 0.070 1.00 . A A . 8 CYS SG 1 1
1 108 1 1 9 ARG C C 33.625 -11.037 5.146 1.00 . A A . 9 ARG C 1 1
1 109 1 1 9 ARG CA C 34.608 -10.168 4.353 1.00 . A A . 9 ARG CA 1 1
1 110 1 1 9 ARG CB C 35.370 -9.227 5.290 1.00 . A A . 9 ARG CB 1 1
1 111 1 1 9 ARG CD C 37.617 -9.369 6.384 1.00 . A A . 9 ARG CD 1 1
1 112 1 1 9 ARG CG C 36.877 -9.360 5.044 1.00 . A A . 9 ARG CG 1 1
1 113 1 1 9 ARG CZ C 39.928 -8.839 6.950 1.00 . A A . 9 ARG CZ 1 1
1 114 1 1 9 ARG H H 32.925 -9.048 3.604 1.00 . A A . 9 ARG H 1 1
1 115 1 1 9 ARG HA H 35.301 -10.786 3.803 1.00 . A A . 9 ARG HA 1 1
1 116 1 1 9 ARG HB2 H 35.064 -8.208 5.102 1.00 . A A . 9 ARG HB2 1 1
1 117 1 1 9 ARG HB3 H 35.151 -9.484 6.315 1.00 . A A . 9 ARG HB3 1 1
1 118 1 1 9 ARG HD2 H 37.065 -8.800 7.120 1.00 . A A . 9 ARG HD2 1 1
1 119 1 1 9 ARG HD3 H 37.766 -10.381 6.724 1.00 . A A . 9 ARG HD3 1 1
1 120 1 1 9 ARG HE H 39.056 -8.209 5.278 1.00 . A A . 9 ARG HE 1 1
1 121 1 1 9 ARG HG2 H 37.076 -10.282 4.516 1.00 . A A . 9 ARG HG2 1 1
1 122 1 1 9 ARG HG3 H 37.219 -8.525 4.451 1.00 . A A . 9 ARG HG3 1 1
1 123 1 1 9 ARG HH11 H 38.916 -9.958 8.274 1.00 . A A . 9 ARG HH11 1 1
1 124 1 1 9 ARG HH12 H 40.555 -9.598 8.696 1.00 . A A . 9 ARG HH12 1 1
1 125 1 1 9 ARG HH21 H 41.184 -7.746 5.838 1.00 . A A . 9 ARG HH21 1 1
1 126 1 1 9 ARG HH22 H 41.833 -8.351 7.325 1.00 . A A . 9 ARG HH22 1 1
1 127 1 1 9 ARG N N 33.862 -9.271 3.422 1.00 . A A . 9 ARG N 1 1
1 128 1 1 9 ARG NE N 38.933 -8.724 6.104 1.00 . A A . 9 ARG NE 1 1
1 129 1 1 9 ARG NH1 N 39.788 -9.518 8.060 1.00 . A A . 9 ARG NH1 1 1
1 130 1 1 9 ARG NH2 N 41.071 -8.268 6.684 1.00 . A A . 9 ARG NH2 1 1
1 131 1 1 9 ARG O O 32.568 -10.587 5.544 1.00 . A A . 9 ARG O 1 1
1 132 1 1 10 ARG C C 31.642 -13.161 5.517 1.00 . A A . 10 ARG C 1 1
1 133 1 1 10 ARG CA C 33.047 -13.176 6.148 1.00 . A A . 10 ARG CA 1 1
1 134 1 1 10 ARG CB C 33.038 -12.598 7.569 1.00 . A A . 10 ARG CB 1 1
1 135 1 1 10 ARG CD C 33.508 -13.578 9.822 1.00 . A A . 10 ARG CD 1 1
1 136 1 1 10 ARG CG C 32.639 -13.689 8.566 1.00 . A A . 10 ARG CG 1 1
1 137 1 1 10 ARG CZ C 34.244 -15.255 11.430 1.00 . A A . 10 ARG CZ 1 1
1 138 1 1 10 ARG H H 34.820 -12.625 5.051 1.00 . A A . 10 ARG H 1 1
1 139 1 1 10 ARG HA H 33.437 -14.182 6.165 1.00 . A A . 10 ARG HA 1 1
1 140 1 1 10 ARG HB2 H 34.025 -12.231 7.812 1.00 . A A . 10 ARG HB2 1 1
1 141 1 1 10 ARG HB3 H 32.330 -11.785 7.624 1.00 . A A . 10 ARG HB3 1 1
1 142 1 1 10 ARG HD2 H 34.436 -13.074 9.591 1.00 . A A . 10 ARG HD2 1 1
1 143 1 1 10 ARG HD3 H 32.977 -13.054 10.601 1.00 . A A . 10 ARG HD3 1 1
1 144 1 1 10 ARG HE H 33.580 -15.721 9.616 1.00 . A A . 10 ARG HE 1 1
1 145 1 1 10 ARG HG2 H 31.600 -13.568 8.836 1.00 . A A . 10 ARG HG2 1 1
1 146 1 1 10 ARG HG3 H 32.783 -14.660 8.116 1.00 . A A . 10 ARG HG3 1 1
1 147 1 1 10 ARG HH11 H 34.338 -13.340 12.025 1.00 . A A . 10 ARG HH11 1 1
1 148 1 1 10 ARG HH12 H 34.866 -14.510 13.184 1.00 . A A . 10 ARG HH12 1 1
1 149 1 1 10 ARG HH21 H 34.269 -17.234 11.130 1.00 . A A . 10 ARG HH21 1 1
1 150 1 1 10 ARG HH22 H 34.828 -16.704 12.682 1.00 . A A . 10 ARG HH22 1 1
1 151 1 1 10 ARG N N 33.963 -12.280 5.380 1.00 . A A . 10 ARG N 1 1
1 152 1 1 10 ARG NE N 33.767 -14.987 10.239 1.00 . A A . 10 ARG NE 1 1
1 153 1 1 10 ARG NH1 N 34.503 -14.292 12.279 1.00 . A A . 10 ARG NH1 1 1
1 154 1 1 10 ARG NH2 N 34.464 -16.494 11.774 1.00 . A A . 10 ARG NH2 1 1
1 155 1 1 10 ARG O O 31.495 -13.355 4.326 1.00 . A A . 10 ARG O 1 1
1 156 1 1 11 ARG C C 28.685 -11.483 5.715 1.00 . A A . 11 ARG C 1 1
1 157 1 1 11 ARG CA C 29.234 -12.912 5.719 1.00 . A A . 11 ARG CA 1 1
1 158 1 1 11 ARG CB C 28.404 -13.804 6.644 1.00 . A A . 11 ARG CB 1 1
1 159 1 1 11 ARG CD C 27.336 -15.950 5.917 1.00 . A A . 11 ARG CD 1 1
1 160 1 1 11 ARG CG C 27.243 -14.423 5.859 1.00 . A A . 11 ARG CG 1 1
1 161 1 1 11 ARG CZ C 27.206 -16.278 3.505 1.00 . A A . 11 ARG CZ 1 1
1 162 1 1 11 ARG H H 30.740 -12.780 7.250 1.00 . A A . 11 ARG H 1 1
1 163 1 1 11 ARG HA H 29.236 -13.319 4.720 1.00 . A A . 11 ARG HA 1 1
1 164 1 1 11 ARG HB2 H 29.031 -14.589 7.044 1.00 . A A . 11 ARG HB2 1 1
1 165 1 1 11 ARG HB3 H 28.010 -13.211 7.456 1.00 . A A . 11 ARG HB3 1 1
1 166 1 1 11 ARG HD2 H 27.984 -16.256 6.728 1.00 . A A . 11 ARG HD2 1 1
1 167 1 1 11 ARG HD3 H 26.355 -16.384 6.035 1.00 . A A . 11 ARG HD3 1 1
1 168 1 1 11 ARG HE H 28.843 -16.674 4.561 1.00 . A A . 11 ARG HE 1 1
1 169 1 1 11 ARG HG2 H 26.306 -14.103 6.292 1.00 . A A . 11 ARG HG2 1 1
1 170 1 1 11 ARG HG3 H 27.291 -14.101 4.829 1.00 . A A . 11 ARG HG3 1 1
1 171 1 1 11 ARG HH11 H 25.555 -15.572 4.403 1.00 . A A . 11 ARG HH11 1 1
1 172 1 1 11 ARG HH12 H 25.438 -15.798 2.691 1.00 . A A . 11 ARG HH12 1 1
1 173 1 1 11 ARG HH21 H 28.680 -16.963 2.337 1.00 . A A . 11 ARG HH21 1 1
1 174 1 1 11 ARG HH22 H 27.197 -16.582 1.526 1.00 . A A . 11 ARG HH22 1 1
1 175 1 1 11 ARG N N 30.611 -12.935 6.294 1.00 . A A . 11 ARG N 1 1
1 176 1 1 11 ARG NE N 27.918 -16.352 4.604 1.00 . A A . 11 ARG NE 1 1
1 177 1 1 11 ARG NH1 N 25.970 -15.849 3.537 1.00 . A A . 11 ARG NH1 1 1
1 178 1 1 11 ARG NH2 N 27.736 -16.635 2.367 1.00 . A A . 11 ARG NH2 1 1
1 179 1 1 11 ARG O O 27.564 -11.238 6.119 1.00 . A A . 11 ARG O 1 1
1 180 1 1 12 PHE C C 29.768 -8.329 4.172 1.00 . A A . 12 PHE C 1 1
1 181 1 1 12 PHE CA C 28.991 -9.125 5.230 1.00 . A A . 12 PHE CA 1 1
1 182 1 1 12 PHE CB C 29.248 -8.592 6.651 1.00 . A A . 12 PHE CB 1 1
1 183 1 1 12 PHE CD1 C 30.416 -6.373 6.363 1.00 . A A . 12 PHE CD1 1 1
1 184 1 1 12 PHE CD2 C 31.725 -8.300 7.038 1.00 . A A . 12 PHE CD2 1 1
1 185 1 1 12 PHE CE1 C 31.569 -5.579 6.395 1.00 . A A . 12 PHE CE1 1 1
1 186 1 1 12 PHE CE2 C 32.877 -7.506 7.070 1.00 . A A . 12 PHE CE2 1 1
1 187 1 1 12 PHE CG C 30.494 -7.734 6.685 1.00 . A A . 12 PHE CG 1 1
1 188 1 1 12 PHE CZ C 32.799 -6.146 6.748 1.00 . A A . 12 PHE CZ 1 1
1 189 1 1 12 PHE H H 30.365 -10.760 4.942 1.00 . A A . 12 PHE H 1 1
1 190 1 1 12 PHE HA H 27.934 -9.093 5.015 1.00 . A A . 12 PHE HA 1 1
1 191 1 1 12 PHE HB2 H 28.402 -8.001 6.968 1.00 . A A . 12 PHE HB2 1 1
1 192 1 1 12 PHE HB3 H 29.371 -9.426 7.326 1.00 . A A . 12 PHE HB3 1 1
1 193 1 1 12 PHE HD1 H 29.467 -5.936 6.091 1.00 . A A . 12 PHE HD1 1 1
1 194 1 1 12 PHE HD2 H 31.785 -9.349 7.286 1.00 . A A . 12 PHE HD2 1 1
1 195 1 1 12 PHE HE1 H 31.509 -4.530 6.147 1.00 . A A . 12 PHE HE1 1 1
1 196 1 1 12 PHE HE2 H 33.827 -7.943 7.343 1.00 . A A . 12 PHE HE2 1 1
1 197 1 1 12 PHE HZ H 33.689 -5.533 6.773 1.00 . A A . 12 PHE HZ 1 1
1 198 1 1 12 PHE N N 29.466 -10.539 5.262 1.00 . A A . 12 PHE N 1 1
1 199 1 1 12 PHE O O 30.923 -8.598 3.905 1.00 . A A . 12 PHE O 1 1
1 200 1 1 13 CYS C C 29.460 -5.065 2.671 1.00 . A A . 13 CYS C 1 1
1 201 1 1 13 CYS CA C 29.838 -6.542 2.531 1.00 . A A . 13 CYS CA 1 1
1 202 1 1 13 CYS CB C 29.341 -7.099 1.196 1.00 . A A . 13 CYS CB 1 1
1 203 1 1 13 CYS H H 28.209 -7.155 3.803 1.00 . A A . 13 CYS H 1 1
1 204 1 1 13 CYS HA H 30.906 -6.668 2.610 1.00 . A A . 13 CYS HA 1 1
1 205 1 1 13 CYS HB2 H 29.016 -8.120 1.331 1.00 . A A . 13 CYS HB2 1 1
1 206 1 1 13 CYS HB3 H 28.514 -6.501 0.843 1.00 . A A . 13 CYS HB3 1 1
1 207 1 1 13 CYS N N 29.140 -7.354 3.571 1.00 . A A . 13 CYS N 1 1
1 208 1 1 13 CYS O O 28.370 -4.731 3.092 1.00 . A A . 13 CYS O 1 1
1 209 1 1 13 CYS SG S 30.683 -7.049 -0.018 1.00 . A A . 13 CYS SG 1 1
1 210 1 1 14 VAL C C 30.703 -1.956 1.275 1.00 . A A . 14 VAL C 1 1
1 211 1 1 14 VAL CA C 30.048 -2.723 2.429 1.00 . A A . 14 VAL CA 1 1
1 212 1 1 14 VAL CB C 30.641 -2.294 3.774 1.00 . A A . 14 VAL CB 1 1
1 213 1 1 14 VAL CG1 C 32.152 -2.536 3.775 1.00 . A A . 14 VAL CG1 1 1
1 214 1 1 14 VAL CG2 C 30.365 -0.806 4.003 1.00 . A A . 14 VAL CG2 1 1
1 215 1 1 14 VAL H H 31.226 -4.472 1.981 1.00 . A A . 14 VAL H 1 1
1 216 1 1 14 VAL HA H 28.982 -2.562 2.429 1.00 . A A . 14 VAL HA 1 1
1 217 1 1 14 VAL HB H 30.186 -2.871 4.566 1.00 . A A . 14 VAL HB 1 1
1 218 1 1 14 VAL HG11 H 32.354 -3.550 3.460 1.00 . A A . 14 VAL HG11 1 1
1 219 1 1 14 VAL HG12 H 32.541 -2.384 4.771 1.00 . A A . 14 VAL HG12 1 1
1 220 1 1 14 VAL HG13 H 32.628 -1.847 3.093 1.00 . A A . 14 VAL HG13 1 1
1 221 1 1 14 VAL HG21 H 29.427 -0.538 3.539 1.00 . A A . 14 VAL HG21 1 1
1 222 1 1 14 VAL HG22 H 31.162 -0.221 3.568 1.00 . A A . 14 VAL HG22 1 1
1 223 1 1 14 VAL HG23 H 30.311 -0.608 5.063 1.00 . A A . 14 VAL HG23 1 1
1 224 1 1 14 VAL N N 30.353 -4.179 2.319 1.00 . A A . 14 VAL N 1 1
1 225 1 1 14 VAL O O 31.866 -2.146 0.974 1.00 . A A . 14 VAL O 1 1
1 226 1 1 15 CYS C C 30.366 1.185 -0.262 1.00 . A A . 15 CYS C 1 1
1 227 1 1 15 CYS CA C 30.542 -0.316 -0.506 1.00 . A A . 15 CYS CA 1 1
1 228 1 1 15 CYS CB C 29.746 -0.757 -1.734 1.00 . A A . 15 CYS CB 1 1
1 229 1 1 15 CYS H H 29.030 -0.959 0.889 1.00 . A A . 15 CYS H 1 1
1 230 1 1 15 CYS HA H 31.585 -0.557 -0.637 1.00 . A A . 15 CYS HA 1 1
1 231 1 1 15 CYS HB2 H 28.690 -0.732 -1.507 1.00 . A A . 15 CYS HB2 1 1
1 232 1 1 15 CYS HB3 H 29.953 -0.089 -2.557 1.00 . A A . 15 CYS HB3 1 1
1 233 1 1 15 CYS N N 29.965 -1.094 0.628 1.00 . A A . 15 CYS N 1 1
1 234 1 1 15 CYS O O 29.417 1.614 0.364 1.00 . A A . 15 CYS O 1 1
1 235 1 1 15 CYS SG S 30.224 -2.442 -2.191 1.00 . A A . 15 CYS SG 1 1
1 236 1 1 16 VAL C C 31.509 4.200 -1.848 1.00 . A A . 16 VAL C 1 1
1 237 1 1 16 VAL CA C 31.162 3.461 -0.552 1.00 . A A . 16 VAL CA 1 1
1 238 1 1 16 VAL CB C 32.176 3.793 0.546 1.00 . A A . 16 VAL CB 1 1
1 239 1 1 16 VAL CG1 C 31.791 3.061 1.833 1.00 . A A . 16 VAL CG1 1 1
1 240 1 1 16 VAL CG2 C 33.578 3.353 0.107 1.00 . A A . 16 VAL CG2 1 1
1 241 1 1 16 VAL H H 32.031 1.617 -1.256 1.00 . A A . 16 VAL H 1 1
1 242 1 1 16 VAL HA H 30.168 3.721 -0.226 1.00 . A A . 16 VAL HA 1 1
1 243 1 1 16 VAL HB H 32.172 4.858 0.726 1.00 . A A . 16 VAL HB 1 1
1 244 1 1 16 VAL HG11 H 31.865 1.995 1.677 1.00 . A A . 16 VAL HG11 1 1
1 245 1 1 16 VAL HG12 H 30.776 3.315 2.102 1.00 . A A . 16 VAL HG12 1 1
1 246 1 1 16 VAL HG13 H 32.459 3.356 2.629 1.00 . A A . 16 VAL HG13 1 1
1 247 1 1 16 VAL HG21 H 33.525 2.894 -0.869 1.00 . A A . 16 VAL HG21 1 1
1 248 1 1 16 VAL HG22 H 33.973 2.641 0.817 1.00 . A A . 16 VAL HG22 1 1
1 249 1 1 16 VAL HG23 H 34.228 4.215 0.063 1.00 . A A . 16 VAL HG23 1 1
1 250 1 1 16 VAL N N 31.274 1.986 -0.754 1.00 . A A . 16 VAL N 1 1
1 251 1 1 16 VAL O O 32.379 3.790 -2.593 1.00 . A A . 16 VAL O 1 1
1 252 1 1 17 GLY C C 30.877 7.540 -3.122 1.00 . A A . 17 GLY C 1 1
1 253 1 1 17 GLY CA C 31.126 6.051 -3.367 1.00 . A A . 17 GLY CA 1 1
1 254 1 1 17 GLY H H 30.140 5.597 -1.506 1.00 . A A . 17 GLY H 1 1
1 255 1 1 17 GLY HA2 H 32.158 5.899 -3.651 1.00 . A A . 17 GLY HA2 1 1
1 256 1 1 17 GLY HA3 H 30.479 5.708 -4.160 1.00 . A A . 17 GLY HA3 1 1
1 257 1 1 17 GLY N N 30.836 5.285 -2.121 1.00 . A A . 17 GLY N 1 1
1 258 1 1 17 GLY O O 30.160 7.918 -2.216 1.00 . A A . 17 GLY O 1 1
1 259 1 1 18 ARG C C 30.758 10.488 -5.038 1.00 . A A . 18 ARG C 1 1
1 260 1 1 18 ARG CA C 31.263 9.856 -3.738 1.00 . A A . 18 ARG CA 1 1
1 261 1 1 18 ARG CB C 32.645 10.403 -3.377 1.00 . A A . 18 ARG CB 1 1
1 262 1 1 18 ARG CD C 33.339 11.155 -1.091 1.00 . A A . 18 ARG CD 1 1
1 263 1 1 18 ARG CG C 32.502 11.507 -2.324 1.00 . A A . 18 ARG CG 1 1
1 264 1 1 18 ARG CZ C 34.656 13.205 -1.111 1.00 . A A . 18 ARG CZ 1 1
1 265 1 1 18 ARG H H 32.038 8.061 -4.647 1.00 . A A . 18 ARG H 1 1
1 266 1 1 18 ARG HA H 30.570 10.043 -2.933 1.00 . A A . 18 ARG HA 1 1
1 267 1 1 18 ARG HB2 H 33.255 9.603 -2.983 1.00 . A A . 18 ARG HB2 1 1
1 268 1 1 18 ARG HB3 H 33.112 10.810 -4.260 1.00 . A A . 18 ARG HB3 1 1
1 269 1 1 18 ARG HD2 H 32.742 10.599 -0.380 1.00 . A A . 18 ARG HD2 1 1
1 270 1 1 18 ARG HD3 H 34.210 10.587 -1.377 1.00 . A A . 18 ARG HD3 1 1
1 271 1 1 18 ARG HE H 33.337 12.784 0.315 1.00 . A A . 18 ARG HE 1 1
1 272 1 1 18 ARG HG2 H 32.847 12.444 -2.737 1.00 . A A . 18 ARG HG2 1 1
1 273 1 1 18 ARG HG3 H 31.465 11.602 -2.037 1.00 . A A . 18 ARG HG3 1 1
1 274 1 1 18 ARG HH11 H 34.966 11.929 -2.629 1.00 . A A . 18 ARG HH11 1 1
1 275 1 1 18 ARG HH12 H 35.911 13.377 -2.664 1.00 . A A . 18 ARG HH12 1 1
1 276 1 1 18 ARG HH21 H 34.571 14.663 0.259 1.00 . A A . 18 ARG HH21 1 1
1 277 1 1 18 ARG HH22 H 35.690 14.918 -1.039 1.00 . A A . 18 ARG HH22 1 1
1 278 1 1 18 ARG N N 31.464 8.389 -3.923 1.00 . A A . 18 ARG N 1 1
1 279 1 1 18 ARG NE N 33.749 12.468 -0.516 1.00 . A A . 18 ARG NE 1 1
1 280 1 1 18 ARG NH1 N 35.221 12.805 -2.221 1.00 . A A . 18 ARG NH1 1 1
1 281 1 1 18 ARG NH2 N 34.999 14.352 -0.590 1.00 . A A . 18 ARG NH2 1 1
1 282 1 1 18 ARG O O 31.210 10.071 -6.091 1.00 . A A . 18 ARG O 1 1
1 283 1 1 18 ARG OXT O 29.927 11.378 -4.957 1.00 . A A . 18 ARG OXT 1 1
1 284 2 1 1 ARG C C 17.495 -7.602 3.860 1.00 . B B . 1 ARG C 1 1
1 285 2 1 1 ARG CA C 17.042 -6.342 4.603 1.00 . B B . 1 ARG CA 1 1
1 286 2 1 1 ARG CB C 17.471 -5.087 3.841 1.00 . B B . 1 ARG CB 1 1
1 287 2 1 1 ARG CD C 17.858 -3.215 5.453 1.00 . B B . 1 ARG CD 1 1
1 288 2 1 1 ARG CG C 16.848 -3.853 4.496 1.00 . B B . 1 ARG CG 1 1
1 289 2 1 1 ARG CZ C 18.622 -0.915 5.708 1.00 . B B . 1 ARG CZ 1 1
1 290 2 1 1 ARG H1 H 17.645 -7.153 6.425 1.00 . B B . 1 ARG H1 1 1
1 291 2 1 1 ARG H2 H 17.290 -5.493 6.489 1.00 . B B . 1 ARG H2 1 1
1 292 2 1 1 ARG H3 H 18.736 -6.028 5.775 1.00 . B B . 1 ARG H3 1 1
1 293 2 1 1 ARG HA H 15.972 -6.346 4.734 1.00 . B B . 1 ARG HA 1 1
1 294 2 1 1 ARG HB2 H 18.548 -5.004 3.863 1.00 . B B . 1 ARG HB2 1 1
1 295 2 1 1 ARG HB3 H 17.137 -5.156 2.816 1.00 . B B . 1 ARG HB3 1 1
1 296 2 1 1 ARG HD2 H 17.615 -3.467 6.476 1.00 . B B . 1 ARG HD2 1 1
1 297 2 1 1 ARG HD3 H 18.860 -3.536 5.213 1.00 . B B . 1 ARG HD3 1 1
1 298 2 1 1 ARG HE H 16.962 -1.396 4.727 1.00 . B B . 1 ARG HE 1 1
1 299 2 1 1 ARG HG2 H 16.576 -3.139 3.731 1.00 . B B . 1 ARG HG2 1 1
1 300 2 1 1 ARG HG3 H 15.966 -4.143 5.047 1.00 . B B . 1 ARG HG3 1 1
1 301 2 1 1 ARG HH11 H 19.765 -2.338 6.543 1.00 . B B . 1 ARG HH11 1 1
1 302 2 1 1 ARG HH12 H 20.328 -0.713 6.741 1.00 . B B . 1 ARG HH12 1 1
1 303 2 1 1 ARG HH21 H 17.701 0.712 4.990 1.00 . B B . 1 ARG HH21 1 1
1 304 2 1 1 ARG HH22 H 19.166 1.006 5.867 1.00 . B B . 1 ARG HH22 1 1
1 305 2 1 1 ARG N N 17.730 -6.247 5.923 1.00 . B B . 1 ARG N 1 1
1 306 2 1 1 ARG NE N 17.726 -1.745 5.232 1.00 . B B . 1 ARG NE 1 1
1 307 2 1 1 ARG NH1 N 19.652 -1.358 6.383 1.00 . B B . 1 ARG NH1 1 1
1 308 2 1 1 ARG NH2 N 18.486 0.367 5.506 1.00 . B B . 1 ARG NH2 1 1
1 309 2 1 1 ARG O O 18.371 -8.316 4.308 1.00 . B B . 1 ARG O 1 1
1 310 2 1 2 GLY C C 18.035 -8.665 0.680 1.00 . B B . 2 GLY C 1 1
1 311 2 1 2 GLY CA C 17.300 -9.089 1.953 1.00 . B B . 2 GLY CA 1 1
1 312 2 1 2 GLY H H 16.202 -7.286 2.385 1.00 . B B . 2 GLY H 1 1
1 313 2 1 2 GLY HA2 H 17.950 -9.706 2.558 1.00 . B B . 2 GLY HA2 1 1
1 314 2 1 2 GLY HA3 H 16.417 -9.649 1.685 1.00 . B B . 2 GLY HA3 1 1
1 315 2 1 2 GLY N N 16.905 -7.877 2.727 1.00 . B B . 2 GLY N 1 1
1 316 2 1 2 GLY O O 17.885 -7.555 0.208 1.00 . B B . 2 GLY O 1 1
1 317 2 1 3 GLY C C 20.637 -8.135 -0.797 1.00 . B B . 3 GLY C 1 1
1 318 2 1 3 GLY CA C 19.575 -9.187 -1.119 1.00 . B B . 3 GLY CA 1 1
1 319 2 1 3 GLY H H 18.935 -10.428 0.522 1.00 . B B . 3 GLY H 1 1
1 320 2 1 3 GLY HA2 H 20.052 -10.073 -1.515 1.00 . B B . 3 GLY HA2 1 1
1 321 2 1 3 GLY HA3 H 18.889 -8.789 -1.851 1.00 . B B . 3 GLY HA3 1 1
1 322 2 1 3 GLY N N 18.829 -9.539 0.123 1.00 . B B . 3 GLY N 1 1
1 323 2 1 3 GLY O O 21.250 -8.160 0.253 1.00 . B B . 3 GLY O 1 1
1 324 2 1 4 GLY C C 21.224 -4.775 -1.520 1.00 . B B . 4 GLY C 1 1
1 325 2 1 4 GLY CA C 21.882 -6.154 -1.439 1.00 . B B . 4 GLY CA 1 1
1 326 2 1 4 GLY H H 20.353 -7.209 -2.531 1.00 . B B . 4 GLY H 1 1
1 327 2 1 4 GLY HA2 H 22.308 -6.295 -0.456 1.00 . B B . 4 GLY HA2 1 1
1 328 2 1 4 GLY HA3 H 22.661 -6.221 -2.183 1.00 . B B . 4 GLY HA3 1 1
1 329 2 1 4 GLY N N 20.859 -7.209 -1.692 1.00 . B B . 4 GLY N 1 1
1 330 2 1 4 GLY O O 20.338 -4.546 -2.319 1.00 . B B . 4 GLY O 1 1
1 331 2 1 5 LEU C C 22.107 -1.459 -1.145 1.00 . B B . 5 LEU C 1 1
1 332 2 1 5 LEU CA C 21.054 -2.489 -0.724 1.00 . B B . 5 LEU CA 1 1
1 333 2 1 5 LEU CB C 20.590 -2.229 0.712 1.00 . B B . 5 LEU CB 1 1
1 334 2 1 5 LEU CD1 C 18.419 -3.466 0.693 1.00 . B B . 5 LEU CD1 1 1
1 335 2 1 5 LEU CD2 C 18.648 -1.367 2.027 1.00 . B B . 5 LEU CD2 1 1
1 336 2 1 5 LEU CG C 19.067 -2.082 0.740 1.00 . B B . 5 LEU CG 1 1
1 337 2 1 5 LEU H H 22.369 -4.063 -0.061 1.00 . B B . 5 LEU H 1 1
1 338 2 1 5 LEU HA H 20.211 -2.461 -1.396 1.00 . B B . 5 LEU HA 1 1
1 339 2 1 5 LEU HB2 H 20.883 -3.057 1.341 1.00 . B B . 5 LEU HB2 1 1
1 340 2 1 5 LEU HB3 H 21.043 -1.320 1.079 1.00 . B B . 5 LEU HB3 1 1
1 341 2 1 5 LEU HD11 H 19.025 -4.127 0.090 1.00 . B B . 5 LEU HD11 1 1
1 342 2 1 5 LEU HD12 H 17.433 -3.388 0.259 1.00 . B B . 5 LEU HD12 1 1
1 343 2 1 5 LEU HD13 H 18.342 -3.862 1.695 1.00 . B B . 5 LEU HD13 1 1
1 344 2 1 5 LEU HD21 H 19.070 -0.374 2.041 1.00 . B B . 5 LEU HD21 1 1
1 345 2 1 5 LEU HD22 H 19.007 -1.923 2.880 1.00 . B B . 5 LEU HD22 1 1
1 346 2 1 5 LEU HD23 H 17.570 -1.302 2.067 1.00 . B B . 5 LEU HD23 1 1
1 347 2 1 5 LEU HG H 18.746 -1.505 -0.116 1.00 . B B . 5 LEU HG 1 1
1 348 2 1 5 LEU N N 21.653 -3.855 -0.697 1.00 . B B . 5 LEU N 1 1
1 349 2 1 5 LEU O O 23.283 -1.618 -0.882 1.00 . B B . 5 LEU O 1 1
1 350 2 1 6 CYS C C 21.930 1.937 -2.569 1.00 . B B . 6 CYS C 1 1
1 351 2 1 6 CYS CA C 22.666 0.635 -2.235 1.00 . B B . 6 CYS CA 1 1
1 352 2 1 6 CYS CB C 23.333 0.047 -3.482 1.00 . B B . 6 CYS CB 1 1
1 353 2 1 6 CYS H H 20.739 -0.299 -1.996 1.00 . B B . 6 CYS H 1 1
1 354 2 1 6 CYS HA H 23.404 0.805 -1.467 1.00 . B B . 6 CYS HA 1 1
1 355 2 1 6 CYS HB2 H 23.853 -0.861 -3.214 1.00 . B B . 6 CYS HB2 1 1
1 356 2 1 6 CYS HB3 H 22.576 -0.179 -4.219 1.00 . B B . 6 CYS HB3 1 1
1 357 2 1 6 CYS N N 21.692 -0.406 -1.796 1.00 . B B . 6 CYS N 1 1
1 358 2 1 6 CYS O O 20.963 1.943 -3.305 1.00 . B B . 6 CYS O 1 1
1 359 2 1 6 CYS SG S 24.516 1.233 -4.177 1.00 . B B . 6 CYS SG 1 1
1 360 2 1 7 TYR C C 22.676 5.502 -2.065 1.00 . B B . 7 TYR C 1 1
1 361 2 1 7 TYR CA C 21.707 4.341 -2.308 1.00 . B B . 7 TYR CA 1 1
1 362 2 1 7 TYR CB C 20.538 4.401 -1.320 1.00 . B B . 7 TYR CB 1 1
1 363 2 1 7 TYR CD1 C 19.011 5.793 -2.765 1.00 . B B . 7 TYR CD1 1 1
1 364 2 1 7 TYR CD2 C 18.275 3.587 -2.076 1.00 . B B . 7 TYR CD2 1 1
1 365 2 1 7 TYR CE1 C 17.810 5.976 -3.461 1.00 . B B . 7 TYR CE1 1 1
1 366 2 1 7 TYR CE2 C 17.075 3.770 -2.772 1.00 . B B . 7 TYR CE2 1 1
1 367 2 1 7 TYR CG C 19.244 4.599 -2.072 1.00 . B B . 7 TYR CG 1 1
1 368 2 1 7 TYR CZ C 16.842 4.964 -3.465 1.00 . B B . 7 TYR CZ 1 1
1 369 2 1 7 TYR H H 23.160 3.009 -1.435 1.00 . B B . 7 TYR H 1 1
1 370 2 1 7 TYR HA H 21.337 4.363 -3.321 1.00 . B B . 7 TYR HA 1 1
1 371 2 1 7 TYR HB2 H 20.491 3.478 -0.761 1.00 . B B . 7 TYR HB2 1 1
1 372 2 1 7 TYR HB3 H 20.685 5.226 -0.638 1.00 . B B . 7 TYR HB3 1 1
1 373 2 1 7 TYR HD1 H 19.758 6.573 -2.762 1.00 . B B . 7 TYR HD1 1 1
1 374 2 1 7 TYR HD2 H 18.455 2.666 -1.542 1.00 . B B . 7 TYR HD2 1 1
1 375 2 1 7 TYR HE1 H 17.630 6.897 -3.995 1.00 . B B . 7 TYR HE1 1 1
1 376 2 1 7 TYR HE2 H 16.328 2.990 -2.775 1.00 . B B . 7 TYR HE2 1 1
1 377 2 1 7 TYR HH H 15.605 4.472 -4.833 1.00 . B B . 7 TYR HH 1 1
1 378 2 1 7 TYR N N 22.380 3.038 -2.028 1.00 . B B . 7 TYR N 1 1
1 379 2 1 7 TYR O O 23.569 5.417 -1.245 1.00 . B B . 7 TYR O 1 1
1 380 2 1 7 TYR OH O 15.658 5.145 -4.150 1.00 . B B . 7 TYR OH 1 1
1 381 2 1 8 CYS C C 22.653 8.886 -1.866 1.00 . B B . 8 CYS C 1 1
1 382 2 1 8 CYS CA C 23.408 7.761 -2.581 1.00 . B B . 8 CYS CA 1 1
1 383 2 1 8 CYS CB C 23.807 8.202 -3.995 1.00 . B B . 8 CYS CB 1 1
1 384 2 1 8 CYS H H 21.772 6.635 -3.424 1.00 . B B . 8 CYS H 1 1
1 385 2 1 8 CYS HA H 24.285 7.476 -2.020 1.00 . B B . 8 CYS HA 1 1
1 386 2 1 8 CYS HB2 H 22.949 8.633 -4.489 1.00 . B B . 8 CYS HB2 1 1
1 387 2 1 8 CYS HB3 H 24.589 8.944 -3.929 1.00 . B B . 8 CYS HB3 1 1
1 388 2 1 8 CYS N N 22.502 6.588 -2.771 1.00 . B B . 8 CYS N 1 1
1 389 2 1 8 CYS O O 21.543 9.224 -2.228 1.00 . B B . 8 CYS O 1 1
1 390 2 1 8 CYS SG S 24.403 6.784 -4.959 1.00 . B B . 8 CYS SG 1 1
1 391 2 1 9 ARG C C 23.487 11.760 0.070 1.00 . B B . 9 ARG C 1 1
1 392 2 1 9 ARG CA C 22.546 10.565 -0.118 1.00 . B B . 9 ARG CA 1 1
1 393 2 1 9 ARG CB C 22.166 9.959 1.236 1.00 . B B . 9 ARG CB 1 1
1 394 2 1 9 ARG CD C 20.073 8.978 2.191 1.00 . B B . 9 ARG CD 1 1
1 395 2 1 9 ARG CG C 20.681 10.208 1.512 1.00 . B B . 9 ARG CG 1 1
1 396 2 1 9 ARG CZ C 17.999 9.008 0.910 1.00 . B B . 9 ARG CZ 1 1
1 397 2 1 9 ARG H H 24.135 9.177 -0.574 1.00 . B B . 9 ARG H 1 1
1 398 2 1 9 ARG HA H 21.657 10.867 -0.649 1.00 . B B . 9 ARG HA 1 1
1 399 2 1 9 ARG HB2 H 22.357 8.895 1.220 1.00 . B B . 9 ARG HB2 1 1
1 400 2 1 9 ARG HB3 H 22.756 10.418 2.015 1.00 . B B . 9 ARG HB3 1 1
1 401 2 1 9 ARG HD2 H 20.388 8.076 1.683 1.00 . B B . 9 ARG HD2 1 1
1 402 2 1 9 ARG HD3 H 20.355 8.944 3.231 1.00 . B B . 9 ARG HD3 1 1
1 403 2 1 9 ARG HE H 18.070 9.394 2.859 1.00 . B B . 9 ARG HE 1 1
1 404 2 1 9 ARG HG2 H 20.574 11.066 2.159 1.00 . B B . 9 ARG HG2 1 1
1 405 2 1 9 ARG HG3 H 20.167 10.393 0.580 1.00 . B B . 9 ARG HG3 1 1
1 406 2 1 9 ARG HH11 H 19.672 8.564 -0.107 1.00 . B B . 9 ARG HH11 1 1
1 407 2 1 9 ARG HH12 H 18.212 8.581 -1.037 1.00 . B B . 9 ARG HH12 1 1
1 408 2 1 9 ARG HH21 H 16.179 9.414 1.640 1.00 . B B . 9 ARG HH21 1 1
1 409 2 1 9 ARG HH22 H 16.245 9.060 -0.054 1.00 . B B . 9 ARG HH22 1 1
1 410 2 1 9 ARG N N 23.241 9.466 -0.853 1.00 . B B . 9 ARG N 1 1
1 411 2 1 9 ARG NE N 18.597 9.159 2.067 1.00 . B B . 9 ARG NE 1 1
1 412 2 1 9 ARG NH1 N 18.682 8.693 -0.161 1.00 . B B . 9 ARG NH1 1 1
1 413 2 1 9 ARG NH2 N 16.707 9.174 0.825 1.00 . B B . 9 ARG NH2 1 1
1 414 2 1 9 ARG O O 24.694 11.616 0.101 1.00 . B B . 9 ARG O 1 1
1 415 2 1 10 ARG C C 24.863 14.213 -0.726 1.00 . B B . 10 ARG C 1 1
1 416 2 1 10 ARG CA C 23.798 14.154 0.382 1.00 . B B . 10 ARG CA 1 1
1 417 2 1 10 ARG CB C 24.438 13.981 1.766 1.00 . B B . 10 ARG CB 1 1
1 418 2 1 10 ARG CD C 22.614 15.125 3.043 1.00 . B B . 10 ARG CD 1 1
1 419 2 1 10 ARG CG C 23.347 13.799 2.825 1.00 . B B . 10 ARG CG 1 1
1 420 2 1 10 ARG CZ C 20.301 15.608 3.643 1.00 . B B . 10 ARG CZ 1 1
1 421 2 1 10 ARG H H 21.965 13.036 0.167 1.00 . B B . 10 ARG H 1 1
1 422 2 1 10 ARG HA H 23.192 15.047 0.365 1.00 . B B . 10 ARG HA 1 1
1 423 2 1 10 ARG HB2 H 25.080 13.112 1.757 1.00 . B B . 10 ARG HB2 1 1
1 424 2 1 10 ARG HB3 H 25.023 14.858 2.002 1.00 . B B . 10 ARG HB3 1 1
1 425 2 1 10 ARG HD2 H 23.159 15.743 3.744 1.00 . B B . 10 ARG HD2 1 1
1 426 2 1 10 ARG HD3 H 22.483 15.642 2.106 1.00 . B B . 10 ARG HD3 1 1
1 427 2 1 10 ARG HE H 21.148 13.836 3.952 1.00 . B B . 10 ARG HE 1 1
1 428 2 1 10 ARG HG2 H 22.644 13.049 2.493 1.00 . B B . 10 ARG HG2 1 1
1 429 2 1 10 ARG HG3 H 23.798 13.483 3.754 1.00 . B B . 10 ARG HG3 1 1
1 430 2 1 10 ARG HH11 H 21.343 17.108 2.810 1.00 . B B . 10 ARG HH11 1 1
1 431 2 1 10 ARG HH12 H 19.703 17.474 3.223 1.00 . B B . 10 ARG HH12 1 1
1 432 2 1 10 ARG HH21 H 19.018 14.323 4.486 1.00 . B B . 10 ARG HH21 1 1
1 433 2 1 10 ARG HH22 H 18.392 15.906 4.167 1.00 . B B . 10 ARG HH22 1 1
1 434 2 1 10 ARG N N 22.940 12.943 0.196 1.00 . B B . 10 ARG N 1 1
1 435 2 1 10 ARG NE N 21.286 14.743 3.607 1.00 . B B . 10 ARG NE 1 1
1 436 2 1 10 ARG NH1 N 20.463 16.825 3.189 1.00 . B B . 10 ARG NH1 1 1
1 437 2 1 10 ARG NH2 N 19.147 15.251 4.137 1.00 . B B . 10 ARG NH2 1 1
1 438 2 1 10 ARG O O 24.551 14.091 -1.895 1.00 . B B . 10 ARG O 1 1
1 439 2 1 11 ARG C C 28.041 13.178 -1.341 1.00 . B B . 11 ARG C 1 1
1 440 2 1 11 ARG CA C 27.175 14.437 -1.425 1.00 . B B . 11 ARG CA 1 1
1 441 2 1 11 ARG CB C 28.000 15.682 -1.095 1.00 . B B . 11 ARG CB 1 1
1 442 2 1 11 ARG CD C 27.810 18.104 -0.510 1.00 . B B . 11 ARG CD 1 1
1 443 2 1 11 ARG CG C 27.110 16.923 -1.185 1.00 . B B . 11 ARG CG 1 1
1 444 2 1 11 ARG CZ C 28.706 18.384 1.739 1.00 . B B . 11 ARG CZ 1 1
1 445 2 1 11 ARG H H 26.354 14.474 0.566 1.00 . B B . 11 ARG H 1 1
1 446 2 1 11 ARG HA H 26.736 14.531 -2.405 1.00 . B B . 11 ARG HA 1 1
1 447 2 1 11 ARG HB2 H 28.399 15.595 -0.095 1.00 . B B . 11 ARG HB2 1 1
1 448 2 1 11 ARG HB3 H 28.813 15.772 -1.801 1.00 . B B . 11 ARG HB3 1 1
1 449 2 1 11 ARG HD2 H 28.792 18.252 -0.938 1.00 . B B . 11 ARG HD2 1 1
1 450 2 1 11 ARG HD3 H 27.216 19.000 -0.608 1.00 . B B . 11 ARG HD3 1 1
1 451 2 1 11 ARG HE H 27.398 16.963 1.270 1.00 . B B . 11 ARG HE 1 1
1 452 2 1 11 ARG HG2 H 26.925 17.158 -2.223 1.00 . B B . 11 ARG HG2 1 1
1 453 2 1 11 ARG HG3 H 26.172 16.730 -0.686 1.00 . B B . 11 ARG HG3 1 1
1 454 2 1 11 ARG HH11 H 29.355 19.676 0.346 1.00 . B B . 11 ARG HH11 1 1
1 455 2 1 11 ARG HH12 H 30.007 19.897 1.934 1.00 . B B . 11 ARG HH12 1 1
1 456 2 1 11 ARG HH21 H 28.252 17.258 3.331 1.00 . B B . 11 ARG HH21 1 1
1 457 2 1 11 ARG HH22 H 29.386 18.535 3.616 1.00 . B B . 11 ARG HH22 1 1
1 458 2 1 11 ARG N N 26.113 14.386 -0.378 1.00 . B B . 11 ARG N 1 1
1 459 2 1 11 ARG NE N 27.919 17.720 0.928 1.00 . B B . 11 ARG NE 1 1
1 460 2 1 11 ARG NH1 N 29.411 19.398 1.305 1.00 . B B . 11 ARG NH1 1 1
1 461 2 1 11 ARG NH2 N 28.788 18.031 2.993 1.00 . B B . 11 ARG NH2 1 1
1 462 2 1 11 ARG O O 29.249 13.231 -1.457 1.00 . B B . 11 ARG O 1 1
1 463 2 1 12 PHE C C 27.224 9.581 -1.120 1.00 . B B . 12 PHE C 1 1
1 464 2 1 12 PHE CA C 28.190 10.771 -1.051 1.00 . B B . 12 PHE CA 1 1
1 465 2 1 12 PHE CB C 28.919 10.844 0.302 1.00 . B B . 12 PHE CB 1 1
1 466 2 1 12 PHE CD1 C 26.996 10.401 1.875 1.00 . B B . 12 PHE CD1 1 1
1 467 2 1 12 PHE CD2 C 28.800 8.785 1.757 1.00 . B B . 12 PHE CD2 1 1
1 468 2 1 12 PHE CE1 C 26.350 9.610 2.832 1.00 . B B . 12 PHE CE1 1 1
1 469 2 1 12 PHE CE2 C 28.154 7.994 2.715 1.00 . B B . 12 PHE CE2 1 1
1 470 2 1 12 PHE CG C 28.221 9.989 1.337 1.00 . B B . 12 PHE CG 1 1
1 471 2 1 12 PHE CZ C 26.929 8.407 3.252 1.00 . B B . 12 PHE CZ 1 1
1 472 2 1 12 PHE H H 26.446 12.033 -1.054 1.00 . B B . 12 PHE H 1 1
1 473 2 1 12 PHE HA H 28.909 10.714 -1.853 1.00 . B B . 12 PHE HA 1 1
1 474 2 1 12 PHE HB2 H 29.933 10.493 0.178 1.00 . B B . 12 PHE HB2 1 1
1 475 2 1 12 PHE HB3 H 28.938 11.869 0.641 1.00 . B B . 12 PHE HB3 1 1
1 476 2 1 12 PHE HD1 H 26.549 11.329 1.551 1.00 . B B . 12 PHE HD1 1 1
1 477 2 1 12 PHE HD2 H 29.745 8.467 1.342 1.00 . B B . 12 PHE HD2 1 1
1 478 2 1 12 PHE HE1 H 25.405 9.928 3.247 1.00 . B B . 12 PHE HE1 1 1
1 479 2 1 12 PHE HE2 H 28.601 7.066 3.039 1.00 . B B . 12 PHE HE2 1 1
1 480 2 1 12 PHE HZ H 26.431 7.797 3.991 1.00 . B B . 12 PHE HZ 1 1
1 481 2 1 12 PHE N N 27.422 12.046 -1.142 1.00 . B B . 12 PHE N 1 1
1 482 2 1 12 PHE O O 26.113 9.645 -0.631 1.00 . B B . 12 PHE O 1 1
1 483 2 1 13 CYS C C 27.161 6.238 -0.819 1.00 . B B . 13 CYS C 1 1
1 484 2 1 13 CYS CA C 26.736 7.313 -1.822 1.00 . B B . 13 CYS CA 1 1
1 485 2 1 13 CYS CB C 26.903 6.806 -3.253 1.00 . B B . 13 CYS CB 1 1
1 486 2 1 13 CYS H H 28.535 8.466 -2.113 1.00 . B B . 13 CYS H 1 1
1 487 2 1 13 CYS HA H 25.710 7.603 -1.652 1.00 . B B . 13 CYS HA 1 1
1 488 2 1 13 CYS HB2 H 26.913 7.644 -3.934 1.00 . B B . 13 CYS HB2 1 1
1 489 2 1 13 CYS HB3 H 27.832 6.261 -3.337 1.00 . B B . 13 CYS HB3 1 1
1 490 2 1 13 CYS N N 27.636 8.499 -1.724 1.00 . B B . 13 CYS N 1 1
1 491 2 1 13 CYS O O 28.333 6.038 -0.566 1.00 . B B . 13 CYS O 1 1
1 492 2 1 13 CYS SG S 25.522 5.711 -3.663 1.00 . B B . 13 CYS SG 1 1
1 493 2 1 14 VAL C C 25.760 3.202 0.418 1.00 . B B . 14 VAL C 1 1
1 494 2 1 14 VAL CA C 26.554 4.473 0.733 1.00 . B B . 14 VAL CA 1 1
1 495 2 1 14 VAL CB C 26.156 5.043 2.098 1.00 . B B . 14 VAL CB 1 1
1 496 2 1 14 VAL CG1 C 24.648 5.308 2.135 1.00 . B B . 14 VAL CG1 1 1
1 497 2 1 14 VAL CG2 C 26.521 4.039 3.193 1.00 . B B . 14 VAL CG2 1 1
1 498 2 1 14 VAL H H 25.277 5.719 -0.475 1.00 . B B . 14 VAL H 1 1
1 499 2 1 14 VAL HA H 27.613 4.269 0.714 1.00 . B B . 14 VAL HA 1 1
1 500 2 1 14 VAL HB H 26.686 5.969 2.267 1.00 . B B . 14 VAL HB 1 1
1 501 2 1 14 VAL HG11 H 24.415 5.944 2.976 1.00 . B B . 14 VAL HG11 1 1
1 502 2 1 14 VAL HG12 H 24.120 4.371 2.235 1.00 . B B . 14 VAL HG12 1 1
1 503 2 1 14 VAL HG13 H 24.344 5.796 1.221 1.00 . B B . 14 VAL HG13 1 1
1 504 2 1 14 VAL HG21 H 25.942 3.136 3.062 1.00 . B B . 14 VAL HG21 1 1
1 505 2 1 14 VAL HG22 H 26.306 4.467 4.161 1.00 . B B . 14 VAL HG22 1 1
1 506 2 1 14 VAL HG23 H 27.573 3.804 3.130 1.00 . B B . 14 VAL HG23 1 1
1 507 2 1 14 VAL N N 26.214 5.542 -0.251 1.00 . B B . 14 VAL N 1 1
1 508 2 1 14 VAL O O 24.546 3.215 0.369 1.00 . B B . 14 VAL O 1 1
1 509 2 1 15 CYS C C 26.272 -0.309 0.732 1.00 . B B . 15 CYS C 1 1
1 510 2 1 15 CYS CA C 25.719 0.837 -0.119 1.00 . B B . 15 CYS CA 1 1
1 511 2 1 15 CYS CB C 25.990 0.586 -1.606 1.00 . B B . 15 CYS CB 1 1
1 512 2 1 15 CYS H H 27.416 2.119 0.239 1.00 . B B . 15 CYS H 1 1
1 513 2 1 15 CYS HA H 24.660 0.953 0.048 1.00 . B B . 15 CYS HA 1 1
1 514 2 1 15 CYS HB2 H 27.047 0.421 -1.755 1.00 . B B . 15 CYS HB2 1 1
1 515 2 1 15 CYS HB3 H 25.442 -0.287 -1.928 1.00 . B B . 15 CYS HB3 1 1
1 516 2 1 15 CYS N N 26.437 2.107 0.199 1.00 . B B . 15 CYS N 1 1
1 517 2 1 15 CYS O O 27.454 -0.373 1.010 1.00 . B B . 15 CYS O 1 1
1 518 2 1 15 CYS SG S 25.461 2.023 -2.575 1.00 . B B . 15 CYS SG 1 1
1 519 2 1 16 VAL C C 25.283 -3.667 1.490 1.00 . B B . 16 VAL C 1 1
1 520 2 1 16 VAL CA C 25.900 -2.355 1.983 1.00 . B B . 16 VAL CA 1 1
1 521 2 1 16 VAL CB C 25.423 -2.035 3.403 1.00 . B B . 16 VAL CB 1 1
1 522 2 1 16 VAL CG1 C 26.075 -0.736 3.879 1.00 . B B . 16 VAL CG1 1 1
1 523 2 1 16 VAL CG2 C 23.900 -1.871 3.410 1.00 . B B . 16 VAL CG2 1 1
1 524 2 1 16 VAL H H 24.477 -1.139 0.913 1.00 . B B . 16 VAL H 1 1
1 525 2 1 16 VAL HA H 26.976 -2.414 1.962 1.00 . B B . 16 VAL HA 1 1
1 526 2 1 16 VAL HB H 25.704 -2.842 4.065 1.00 . B B . 16 VAL HB 1 1
1 527 2 1 16 VAL HG11 H 25.650 0.098 3.341 1.00 . B B . 16 VAL HG11 1 1
1 528 2 1 16 VAL HG12 H 27.138 -0.779 3.697 1.00 . B B . 16 VAL HG12 1 1
1 529 2 1 16 VAL HG13 H 25.896 -0.610 4.937 1.00 . B B . 16 VAL HG13 1 1
1 530 2 1 16 VAL HG21 H 23.635 -0.952 2.910 1.00 . B B . 16 VAL HG21 1 1
1 531 2 1 16 VAL HG22 H 23.546 -1.842 4.430 1.00 . B B . 16 VAL HG22 1 1
1 532 2 1 16 VAL HG23 H 23.446 -2.705 2.896 1.00 . B B . 16 VAL HG23 1 1
1 533 2 1 16 VAL N N 25.425 -1.213 1.148 1.00 . B B . 16 VAL N 1 1
1 534 2 1 16 VAL O O 24.175 -3.693 0.989 1.00 . B B . 16 VAL O 1 1
1 535 2 1 17 GLY C C 25.612 -7.102 2.285 1.00 . B B . 17 GLY C 1 1
1 536 2 1 17 GLY CA C 25.452 -6.066 1.171 1.00 . B B . 17 GLY CA 1 1
1 537 2 1 17 GLY H H 26.883 -4.709 2.036 1.00 . B B . 17 GLY H 1 1
1 538 2 1 17 GLY HA2 H 24.405 -5.957 0.925 1.00 . B B . 17 GLY HA2 1 1
1 539 2 1 17 GLY HA3 H 25.995 -6.395 0.298 1.00 . B B . 17 GLY HA3 1 1
1 540 2 1 17 GLY N N 25.993 -4.755 1.629 1.00 . B B . 17 GLY N 1 1
1 541 2 1 17 GLY O O 26.521 -7.026 3.088 1.00 . B B . 17 GLY O 1 1
1 542 2 1 18 ARG C C 24.428 -10.477 2.843 1.00 . B B . 18 ARG C 1 1
1 543 2 1 18 ARG CA C 24.834 -9.110 3.402 1.00 . B B . 18 ARG CA 1 1
1 544 2 1 18 ARG CB C 23.855 -8.662 4.488 1.00 . B B . 18 ARG CB 1 1
1 545 2 1 18 ARG CD C 23.179 -8.969 6.877 1.00 . B B . 18 ARG CD 1 1
1 546 2 1 18 ARG CG C 24.225 -9.325 5.817 1.00 . B B . 18 ARG CG 1 1
1 547 2 1 18 ARG CZ C 24.592 -9.461 8.802 1.00 . B B . 18 ARG CZ 1 1
1 548 2 1 18 ARG H H 24.010 -8.109 1.681 1.00 . B B . 18 ARG H 1 1
1 549 2 1 18 ARG HA H 25.835 -9.148 3.801 1.00 . B B . 18 ARG HA 1 1
1 550 2 1 18 ARG HB2 H 23.904 -7.588 4.595 1.00 . B B . 18 ARG HB2 1 1
1 551 2 1 18 ARG HB3 H 22.853 -8.952 4.211 1.00 . B B . 18 ARG HB3 1 1
1 552 2 1 18 ARG HD2 H 22.562 -8.149 6.535 1.00 . B B . 18 ARG HD2 1 1
1 553 2 1 18 ARG HD3 H 22.569 -9.829 7.108 1.00 . B B . 18 ARG HD3 1 1
1 554 2 1 18 ARG HE H 24.018 -7.617 8.326 1.00 . B B . 18 ARG HE 1 1
1 555 2 1 18 ARG HG2 H 24.257 -10.397 5.687 1.00 . B B . 18 ARG HG2 1 1
1 556 2 1 18 ARG HG3 H 25.194 -8.972 6.137 1.00 . B B . 18 ARG HG3 1 1
1 557 2 1 18 ARG HH11 H 24.020 -11.030 7.689 1.00 . B B . 18 ARG HH11 1 1
1 558 2 1 18 ARG HH12 H 25.020 -11.403 9.051 1.00 . B B . 18 ARG HH12 1 1
1 559 2 1 18 ARG HH21 H 25.319 -8.114 10.092 1.00 . B B . 18 ARG HH21 1 1
1 560 2 1 18 ARG HH22 H 25.753 -9.761 10.405 1.00 . B B . 18 ARG HH22 1 1
1 561 2 1 18 ARG N N 24.735 -8.068 2.339 1.00 . B B . 18 ARG N 1 1
1 562 2 1 18 ARG NE N 23.967 -8.564 8.077 1.00 . B B . 18 ARG NE 1 1
1 563 2 1 18 ARG NH1 N 24.539 -10.730 8.489 1.00 . B B . 18 ARG NH1 1 1
1 564 2 1 18 ARG NH2 N 25.274 -9.082 9.848 1.00 . B B . 18 ARG NH2 1 1
1 565 2 1 18 ARG O O 23.238 -10.727 2.749 1.00 . B B . 18 ARG O 1 1
1 566 2 1 18 ARG OXT O 25.315 -11.249 2.518 1.00 . B B . 18 ARG OXT 1 1
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