NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381568 |
1j5j   |
5184 | cing | 4-filtered-FRED | STAR | entry | full | 554 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1j5j
# This FRED archive file contains, for PDB entry <1j5j>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1j5j
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1j5j
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 4097.68
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 $BeKm_1_toxin A . 1 1
stop_
save_
save_BeKm_1_toxin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "BeKm 1 toxin"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code RPTDIKCSESYQCFPVCKSRFGKTNGRCVNGFCDCF
_Entity.Number_of_monomers 36
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 PRO . 1 1
3 THR . 1 1
4 ASP . 1 1
5 ILE . 1 1
6 LYS . 1 1
7 CYS . 1 1
8 SER . 1 1
9 GLU . 1 1
10 SER . 1 1
11 TYR . 1 1
12 GLN . 1 1
13 CYS . 1 1
14 PHE . 1 1
15 PRO . 1 1
16 VAL . 1 1
17 CYS . 1 1
18 LYS . 1 1
19 SER . 1 1
20 ARG . 1 1
21 PHE . 1 1
22 GLY . 1 1
23 LYS . 1 1
24 THR . 1 1
25 ASN . 1 1
26 GLY . 1 1
27 ARG . 1 1
28 CYS . 1 1
29 VAL . 1 1
30 ASN . 1 1
31 GLY . 1 1
32 PHE . 1 1
33 CYS . 1 1
34 ASP . 1 1
35 CYS . 1 1
36 PHE . 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
PRO 2 2 1 1
THR 3 3 1 1
ASP 4 4 1 1
ILE 5 5 1 1
LYS 6 6 1 1
CYS 7 7 1 1
SER 8 8 1 1
GLU 9 9 1 1
SER 10 10 1 1
TYR 11 11 1 1
GLN 12 12 1 1
CYS 13 13 1 1
PHE 14 14 1 1
PRO 15 15 1 1
VAL 16 16 1 1
CYS 17 17 1 1
LYS 18 18 1 1
SER 19 19 1 1
ARG 20 20 1 1
PHE 21 21 1 1
GLY 22 22 1 1
LYS 23 23 1 1
THR 24 24 1 1
ASN 25 25 1 1
GLY 26 26 1 1
ARG 27 27 1 1
CYS 28 28 1 1
VAL 29 29 1 1
ASN 30 30 1 1
GLY 31 31 1 1
PHE 32 32 1 1
CYS 33 33 1 1
ASP 34 34 1 1
CYS 35 35 1 1
PHE 36 36 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
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
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184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
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190 1 . . . 1 1
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192 1 . . . 1 1
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198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
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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
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293 1 . . . 1 1
294 1 . . . 1 1
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296 1 . . . 1 1
297 1 . . . 1 1
298 1 . . . 1 1
299 1 . . . 1 1
300 1 . . . 1 1
301 1 . . . 1 1
302 1 . . . 1 1
303 1 . . . 1 1
304 1 . . . 1 1
305 1 . . . 1 1
306 1 . . . 1 1
307 1 . . . 1 1
308 1 . . . 1 1
309 1 . . . 1 1
310 1 . . . 1 1
311 1 . . . 1 1
312 1 . . . 1 1
313 1 . . . 1 1
314 1 . . . 1 1
315 1 . . . 1 1
316 1 . . . 1 1
317 1 . . . 1 1
318 1 . . . 1 1
319 1 . . . 1 1
320 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 ARG HA . 1 ARG HA 1 1
1 1 2 1 1 2 PRO HD2 . 2 PRO HD2 1 1
2 1 1 1 1 1 ARG HA . 1 ARG HA 1 1
2 1 2 1 1 2 PRO HD3 . 2 PRO HD3 1 1
3 1 1 1 1 1 ARG QB . 1 ARG QB 1 1
3 1 2 1 1 2 PRO HD2 . 2 PRO HD2 1 1
4 1 1 1 1 1 ARG QB . 1 ARG QB 1 1
4 1 2 1 1 2 PRO HD3 . 2 PRO HD3 1 1
5 1 1 1 1 2 PRO HA . 2 PRO HA 1 1
5 1 2 1 1 3 THR H . 3 THR HN 1 1
6 1 1 1 1 2 PRO HA . 2 PRO HA 1 1
6 1 2 1 1 34 ASP HA . 34 ASP HA 1 1
7 1 1 1 1 2 PRO HA . 2 PRO HA 1 1
7 1 2 1 1 35 CYS H . 35 CYS HN 1 1
8 1 1 1 1 2 PRO HB2 . 2 PRO HB2 1 1
8 1 2 1 1 3 THR H . 3 THR HN 1 1
9 1 1 1 1 2 PRO HB2 . 2 PRO HB2 1 1
9 1 2 1 1 3 THR MG . 3 THR QG2 1 1
10 1 1 1 1 2 PRO HB3 . 2 PRO HB3 1 1
10 1 2 1 1 3 THR H . 3 THR HN 1 1
11 1 1 1 1 3 THR H . 3 THR HN 1 1
11 1 2 1 1 3 THR MG . 3 THR QG2 1 1
12 1 1 1 1 3 THR H . 3 THR HN 1 1
12 1 2 1 1 4 ASP H . 4 ASP HN 1 1
13 1 1 1 1 3 THR H . 3 THR HN 1 1
13 1 2 1 1 34 ASP HA . 34 ASP HA 1 1
14 1 1 1 1 3 THR HA . 3 THR HA 1 1
14 1 2 1 1 4 ASP H . 4 ASP HN 1 1
15 1 1 1 1 3 THR HB . 3 THR HB 1 1
15 1 2 1 1 4 ASP H . 4 ASP HN 1 1
16 1 1 1 1 3 THR HB . 3 THR HB 1 1
16 1 2 1 1 5 ILE H . 5 ILE HN 1 1
17 1 1 1 1 3 THR HB . 3 THR HB 1 1
17 1 2 1 1 5 ILE QG . 5 ILE QG1 1 1
18 1 1 1 1 3 THR HB . 3 THR HB 1 1
18 1 2 1 1 5 ILE MD . 5 ILE QD1 1 1
19 1 1 1 1 3 THR HB . 3 THR HB 1 1
19 1 2 1 1 21 PHE HZ . 21 PHE HZ 1 1
20 1 1 1 1 3 THR MG . 3 THR QG2 1 1
20 1 2 1 1 4 ASP H . 4 ASP HN 1 1
21 1 1 1 1 3 THR MG . 3 THR QG2 1 1
21 1 2 1 1 5 ILE H . 5 ILE HN 1 1
22 1 1 1 1 3 THR MG . 3 THR QG2 1 1
22 1 2 1 1 21 PHE QD . 21 PHE QD 1 1
23 1 1 1 1 3 THR MG . 3 THR QG2 1 1
23 1 2 1 1 21 PHE HZ . 21 PHE HZ 1 1
24 1 1 1 1 3 THR MG . 3 THR QG2 1 1
24 1 2 1 1 34 ASP HA . 34 ASP HA 1 1
25 1 1 1 1 3 THR MG . 3 THR QG2 1 1
25 1 2 1 1 35 CYS H . 35 CYS HN 1 1
26 1 1 1 1 3 THR MG . 3 THR QG2 1 1
26 1 2 1 1 35 CYS HB2 . 35 CYS HB2 1 1
27 1 1 1 1 4 ASP H . 4 ASP HN 1 1
27 1 2 1 1 4 ASP HB2 . 4 ASP HB2 1 1
28 1 1 1 1 4 ASP H . 4 ASP HN 1 1
28 1 2 1 1 4 ASP HB3 . 4 ASP HB3 1 1
29 1 1 1 1 4 ASP H . 4 ASP HN 1 1
29 1 2 1 1 5 ILE H . 5 ILE HN 1 1
30 1 1 1 1 4 ASP H . 4 ASP HN 1 1
30 1 2 1 1 5 ILE MD . 5 ILE QD1 1 1
31 1 1 1 1 5 ILE H . 5 ILE HN 1 1
31 1 2 1 1 5 ILE HB . 5 ILE HB 1 1
32 1 1 1 1 5 ILE H . 5 ILE HN 1 1
32 1 2 1 1 5 ILE HG12 . 5 ILE HG12 1 1
33 1 1 1 1 5 ILE H . 5 ILE HN 1 1
33 1 2 1 1 5 ILE HG13 . 5 ILE HG13 1 1
34 1 1 1 1 5 ILE H . 5 ILE HN 1 1
34 1 2 1 1 5 ILE QG . 5 ILE QG1 1 1
35 1 1 1 1 5 ILE H . 5 ILE HN 1 1
35 1 2 1 1 32 PHE QD . 32 PHE QD 1 1
36 1 1 1 1 5 ILE H . 5 ILE HN 1 1
36 1 2 1 1 33 CYS H . 33 CYS HN 1 1
37 1 1 1 1 5 ILE H . 5 ILE HN 1 1
37 1 2 1 1 33 CYS HB2 . 33 CYS HB2 1 1
38 1 1 1 1 5 ILE HA . 5 ILE HA 1 1
38 1 2 1 1 5 ILE HG12 . 5 ILE HG12 1 1
39 1 1 1 1 5 ILE HA . 5 ILE HA 1 1
39 1 2 1 1 5 ILE HG13 . 5 ILE HG13 1 1
40 1 1 1 1 5 ILE HA . 5 ILE HA 1 1
40 1 2 1 1 5 ILE QG . 5 ILE QG1 1 1
41 1 1 1 1 5 ILE HA . 5 ILE HA 1 1
41 1 2 1 1 6 LYS H . 6 LYS HN 1 1
42 1 1 1 1 5 ILE HB . 5 ILE HB 1 1
42 1 2 1 1 33 CYS H . 33 CYS HN 1 1
43 1 1 1 1 5 ILE HB . 5 ILE HB 1 1
43 1 2 1 1 33 CYS HB2 . 33 CYS HB2 1 1
44 1 1 1 1 5 ILE HB . 5 ILE HB 1 1
44 1 2 1 1 33 CYS HB3 . 33 CYS HB3 1 1
45 1 1 1 1 5 ILE MG . 5 ILE QG2 1 1
45 1 2 1 1 6 LYS H . 6 LYS HN 1 1
46 1 1 1 1 5 ILE MG . 5 ILE QG2 1 1
46 1 2 1 1 7 CYS HA . 7 CYS HA 1 1
47 1 1 1 1 5 ILE MG . 5 ILE QG2 1 1
47 1 2 1 1 33 CYS H . 33 CYS HN 1 1
48 1 1 1 1 5 ILE MG . 5 ILE QG2 1 1
48 1 2 1 1 33 CYS HB2 . 33 CYS HB2 1 1
49 1 1 1 1 5 ILE QG . 5 ILE QG1 1 1
49 1 2 1 1 6 LYS H . 6 LYS HN 1 1
50 1 1 1 1 5 ILE QG . 5 ILE QG1 1 1
50 1 2 1 1 16 VAL MG1 . 16 VAL QG1 1 1
51 1 1 1 1 5 ILE MD . 5 ILE QD1 1 1
51 1 2 1 1 16 VAL MG1 . 16 VAL QG1 1 1
52 1 1 1 1 5 ILE MD . 5 ILE QD1 1 1
52 1 2 1 1 21 PHE HZ . 21 PHE HZ 1 1
53 1 1 1 1 6 LYS H . 6 LYS HN 1 1
53 1 2 1 1 6 LYS QB . 6 LYS QB 1 1
54 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
54 1 2 1 1 7 CYS H . 7 CYS HN 1 1
55 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
55 1 2 1 1 32 PHE HA . 32 PHE HA 1 1
56 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
56 1 2 1 1 32 PHE QD . 32 PHE QD 1 1
57 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
57 1 2 1 1 33 CYS H . 33 CYS HN 1 1
58 1 1 1 1 6 LYS QB . 6 LYS QB 1 1
58 1 2 1 1 7 CYS H . 7 CYS HN 1 1
59 1 1 1 1 7 CYS H . 7 CYS HN 1 1
59 1 2 1 1 7 CYS HB2 . 7 CYS HB2 1 1
60 1 1 1 1 7 CYS H . 7 CYS HN 1 1
60 1 2 1 1 7 CYS HB3 . 7 CYS HB3 1 1
61 1 1 1 1 7 CYS H . 7 CYS HN 1 1
61 1 2 1 1 31 GLY HA2 . 31 GLY HA1 1 1
62 1 1 1 1 7 CYS H . 7 CYS HN 1 1
62 1 2 1 1 31 GLY HA3 . 31 GLY HA2 1 1
63 1 1 1 1 7 CYS H . 7 CYS HN 1 1
63 1 2 1 1 32 PHE HA . 32 PHE HA 1 1
64 1 1 1 1 7 CYS HA . 7 CYS HA 1 1
64 1 2 1 1 7 CYS HB2 . 7 CYS HB2 1 1
65 1 1 1 1 7 CYS HA . 7 CYS HA 1 1
65 1 2 1 1 7 CYS HB3 . 7 CYS HB3 1 1
66 1 1 1 1 7 CYS HA . 7 CYS HA 1 1
66 1 2 1 1 8 SER H . 8 SER HN 1 1
67 1 1 1 1 7 CYS HA . 7 CYS HA 1 1
67 1 2 1 1 9 GLU H . 9 GLU HN 1 1
68 1 1 1 1 7 CYS HA . 7 CYS HA 1 1
68 1 2 1 1 12 GLN HE22 . 12 GLN HE22 1 1
69 1 1 1 1 7 CYS HB2 . 7 CYS HB2 1 1
69 1 2 1 1 8 SER H . 8 SER HN 1 1
70 1 1 1 1 7 CYS HB2 . 7 CYS HB2 1 1
70 1 2 1 1 9 GLU H . 9 GLU HN 1 1
71 1 1 1 1 7 CYS HB3 . 7 CYS HB3 1 1
71 1 2 1 1 8 SER H . 8 SER HN 1 1
72 1 1 1 1 8 SER H . 8 SER HN 1 1
72 1 2 1 1 8 SER HB2 . 8 SER HB2 1 1
73 1 1 1 1 8 SER H . 8 SER HN 1 1
73 1 2 1 1 8 SER HB3 . 8 SER HB3 1 1
74 1 1 1 1 8 SER H . 8 SER HN 1 1
74 1 2 1 1 9 GLU H . 9 GLU HN 1 1
75 1 1 1 1 8 SER H . 8 SER HN 1 1
75 1 2 1 1 12 GLN HE22 . 12 GLN HE22 1 1
76 1 1 1 1 8 SER HA . 8 SER HA 1 1
76 1 2 1 1 8 SER HB2 . 8 SER HB2 1 1
77 1 1 1 1 8 SER HA . 8 SER HA 1 1
77 1 2 1 1 8 SER HB3 . 8 SER HB3 1 1
78 1 1 1 1 9 GLU H . 9 GLU HN 1 1
78 1 2 1 1 9 GLU HB2 . 9 GLU HB2 1 1
79 1 1 1 1 9 GLU H . 9 GLU HN 1 1
79 1 2 1 1 12 GLN HB2 . 12 GLN HB2 1 1
80 1 1 1 1 9 GLU HA . 9 GLU HA 1 1
80 1 2 1 1 9 GLU HB3 . 9 GLU HB3 1 1
81 1 1 1 1 9 GLU HA . 9 GLU HA 1 1
81 1 2 1 1 10 SER H . 10 SER HN 1 1
82 1 1 1 1 9 GLU HB2 . 9 GLU HB2 1 1
82 1 2 1 1 10 SER H . 10 SER HN 1 1
83 1 1 1 1 9 GLU HB2 . 9 GLU HB2 1 1
83 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
84 1 1 1 1 9 GLU HB2 . 9 GLU HB2 1 1
84 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
85 1 1 1 1 9 GLU HB3 . 9 GLU HB3 1 1
85 1 2 1 1 10 SER H . 10 SER HN 1 1
86 1 1 1 1 9 GLU HB3 . 9 GLU HB3 1 1
86 1 2 1 1 11 TYR H . 11 TYR HN 1 1
87 1 1 1 1 9 GLU HB3 . 9 GLU HB3 1 1
87 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
88 1 1 1 1 9 GLU HB3 . 9 GLU HB3 1 1
88 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
89 1 1 1 1 10 SER H . 10 SER HN 1 1
89 1 2 1 1 10 SER HB2 . 10 SER HB2 1 1
90 1 1 1 1 10 SER H . 10 SER HN 1 1
90 1 2 1 1 10 SER HB3 . 10 SER HB3 1 1
91 1 1 1 1 10 SER H . 10 SER HN 1 1
91 1 2 1 1 11 TYR H . 11 TYR HN 1 1
92 1 1 1 1 10 SER H . 10 SER HN 1 1
92 1 2 1 1 28 CYS HB2 . 28 CYS HB2 1 1
93 1 1 1 1 10 SER H . 10 SER HN 1 1
93 1 2 1 1 28 CYS HB3 . 28 CYS HB3 1 1
94 1 1 1 1 10 SER HA . 10 SER HA 1 1
94 1 2 1 1 13 CYS H . 13 CYS HN 1 1
95 1 1 1 1 10 SER HA . 10 SER HA 1 1
95 1 2 1 1 13 CYS HB2 . 13 CYS HB2 1 1
96 1 1 1 1 10 SER HA . 10 SER HA 1 1
96 1 2 1 1 27 ARG HA . 27 ARG HA 1 1
97 1 1 1 1 10 SER HA . 10 SER HA 1 1
97 1 2 1 1 28 CYS H . 28 CYS HN 1 1
98 1 1 1 1 10 SER HA . 10 SER HA 1 1
98 1 2 1 1 28 CYS HB2 . 28 CYS HB2 1 1
99 1 1 1 1 10 SER HA . 10 SER HA 1 1
99 1 2 1 1 28 CYS HB3 . 28 CYS HB3 1 1
100 1 1 1 1 10 SER HB2 . 10 SER HB2 1 1
100 1 2 1 1 28 CYS H . 28 CYS HN 1 1
101 1 1 1 1 10 SER HB3 . 10 SER HB3 1 1
101 1 2 1 1 11 TYR H . 11 TYR HN 1 1
102 1 1 1 1 10 SER HB3 . 10 SER HB3 1 1
102 1 2 1 1 27 ARG HA . 27 ARG HA 1 1
103 1 1 1 1 10 SER HB3 . 10 SER HB3 1 1
103 1 2 1 1 28 CYS H . 28 CYS HN 1 1
104 1 1 1 1 11 TYR H . 11 TYR HN 1 1
104 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
105 1 1 1 1 11 TYR H . 11 TYR HN 1 1
105 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
106 1 1 1 1 11 TYR H . 11 TYR HN 1 1
106 1 2 1 1 12 GLN H . 12 GLN HN 1 1
107 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
107 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
108 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
108 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
109 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
109 1 2 1 1 13 CYS H . 13 CYS HN 1 1
110 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
110 1 2 1 1 14 PHE H . 14 PHE HN 1 1
111 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
111 1 2 1 1 14 PHE HB2 . 14 PHE HB2 1 1
112 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
112 1 2 1 1 14 PHE QD . 14 PHE QD 1 1
113 1 1 1 1 12 GLN H . 12 GLN HN 1 1
113 1 2 1 1 12 GLN HB2 . 12 GLN HB2 1 1
114 1 1 1 1 12 GLN H . 12 GLN HN 1 1
114 1 2 1 1 12 GLN HB3 . 12 GLN HB3 1 1
115 1 1 1 1 12 GLN H . 12 GLN HN 1 1
115 1 2 1 1 12 GLN HG2 . 12 GLN HG2 1 1
116 1 1 1 1 12 GLN H . 12 GLN HN 1 1
116 1 2 1 1 12 GLN HG3 . 12 GLN HG3 1 1
117 1 1 1 1 12 GLN H . 12 GLN HN 1 1
117 1 2 1 1 13 CYS H . 13 CYS HN 1 1
118 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
118 1 2 1 1 12 GLN HB3 . 12 GLN HB3 1 1
119 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
119 1 2 1 1 12 GLN HG2 . 12 GLN HG2 1 1
120 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
120 1 2 1 1 12 GLN HG3 . 12 GLN HG3 1 1
121 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
121 1 2 1 1 15 PRO QG . 15 PRO QG 1 1
122 1 1 1 1 12 GLN HB2 . 12 GLN HB2 1 1
122 1 2 1 1 13 CYS H . 13 CYS HN 1 1
123 1 1 1 1 13 CYS H . 13 CYS HN 1 1
123 1 2 1 1 13 CYS HB2 . 13 CYS HB2 1 1
124 1 1 1 1 13 CYS H . 13 CYS HN 1 1
124 1 2 1 1 13 CYS HB3 . 13 CYS HB3 1 1
125 1 1 1 1 13 CYS H . 13 CYS HN 1 1
125 1 2 1 1 14 PHE H . 14 PHE HN 1 1
126 1 1 1 1 13 CYS HA . 13 CYS HA 1 1
126 1 2 1 1 16 VAL H . 16 VAL HN 1 1
127 1 1 1 1 13 CYS HA . 13 CYS HA 1 1
127 1 2 1 1 16 VAL HB . 16 VAL HB 1 1
128 1 1 1 1 13 CYS HA . 13 CYS HA 1 1
128 1 2 1 1 16 VAL MG1 . 16 VAL QG1 1 1
129 1 1 1 1 13 CYS HA . 13 CYS HA 1 1
129 1 2 1 1 16 VAL MG2 . 16 VAL QG2 1 1
130 1 1 1 1 13 CYS HA . 13 CYS HA 1 1
130 1 2 1 1 17 CYS H . 17 CYS HN 1 1
131 1 1 1 1 13 CYS HB2 . 13 CYS HB2 1 1
131 1 2 1 1 14 PHE H . 14 PHE HN 1 1
132 1 1 1 1 13 CYS HB2 . 13 CYS HB2 1 1
132 1 2 1 1 26 GLY HA3 . 26 GLY HA2 1 1
133 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 1
133 1 2 1 1 14 PHE H . 14 PHE HN 1 1
134 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 1
134 1 2 1 1 16 VAL MG1 . 16 VAL QG1 1 1
135 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 1
135 1 2 1 1 26 GLY HA3 . 26 GLY HA2 1 1
136 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 1
136 1 2 1 1 27 ARG H . 27 ARG HN 1 1
137 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 1
137 1 2 1 1 28 CYS HA . 28 CYS HA 1 1
138 1 1 1 1 14 PHE H . 14 PHE HN 1 1
138 1 2 1 1 14 PHE HB2 . 14 PHE HB2 1 1
139 1 1 1 1 14 PHE H . 14 PHE HN 1 1
139 1 2 1 1 14 PHE HB3 . 14 PHE HB3 1 1
140 1 1 1 1 14 PHE H . 14 PHE HN 1 1
140 1 2 1 1 15 PRO QG . 15 PRO QG 1 1
141 1 1 1 1 14 PHE H . 14 PHE HN 1 1
141 1 2 1 1 15 PRO QD . 15 PRO QD 1 1
142 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
142 1 2 1 1 14 PHE HB2 . 14 PHE HB2 1 1
143 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
143 1 2 1 1 14 PHE HB3 . 14 PHE HB3 1 1
144 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
144 1 2 1 1 17 CYS H . 17 CYS HN 1 1
145 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
145 1 2 1 1 17 CYS HB2 . 17 CYS HB2 1 1
146 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
146 1 2 1 1 18 LYS H . 18 LYS HN 1 1
147 1 1 1 1 14 PHE HA . 14 PHE HA 1 1
147 1 2 1 1 26 GLY H . 26 GLY HN 1 1
148 1 1 1 1 14 PHE HB2 . 14 PHE HB2 1 1
148 1 2 1 1 15 PRO QD . 15 PRO QD 1 1
149 1 1 1 1 14 PHE HB3 . 14 PHE HB3 1 1
149 1 2 1 1 15 PRO QD . 15 PRO QD 1 1
150 1 1 1 1 15 PRO HA . 15 PRO HA 1 1
150 1 2 1 1 18 LYS H . 18 LYS HN 1 1
151 1 1 1 1 15 PRO HA . 15 PRO HA 1 1
151 1 2 1 1 18 LYS QB . 18 LYS QB 1 1
152 1 1 1 1 15 PRO HB2 . 15 PRO HB2 1 1
152 1 2 1 1 16 VAL H . 16 VAL HN 1 1
153 1 1 1 1 15 PRO HB2 . 15 PRO HB2 1 1
153 1 2 1 1 16 VAL HA . 16 VAL HA 1 1
154 1 1 1 1 15 PRO QG . 15 PRO QG 1 1
154 1 2 1 1 16 VAL H . 16 VAL HN 1 1
155 1 1 1 1 15 PRO QD . 15 PRO QD 1 1
155 1 2 1 1 16 VAL H . 16 VAL HN 1 1
156 1 1 1 1 16 VAL H . 16 VAL HN 1 1
156 1 2 1 1 16 VAL HB . 16 VAL HB 1 1
157 1 1 1 1 16 VAL H . 16 VAL HN 1 1
157 1 2 1 1 16 VAL MG2 . 16 VAL QG2 1 1
158 1 1 1 1 16 VAL H . 16 VAL HN 1 1
158 1 2 1 1 17 CYS H . 17 CYS HN 1 1
159 1 1 1 1 16 VAL HA . 16 VAL HA 1 1
159 1 2 1 1 17 CYS H . 17 CYS HN 1 1
160 1 1 1 1 16 VAL HA . 16 VAL HA 1 1
160 1 2 1 1 20 ARG H . 20 ARG HN 1 1
161 1 1 1 1 16 VAL HB . 16 VAL HB 1 1
161 1 2 1 1 17 CYS H . 17 CYS HN 1 1
162 1 1 1 1 16 VAL MG1 . 16 VAL QG1 1 1
162 1 2 1 1 17 CYS H . 17 CYS HN 1 1
163 1 1 1 1 16 VAL MG1 . 16 VAL QG1 1 1
163 1 2 1 1 17 CYS HA . 17 CYS HA 1 1
164 1 1 1 1 16 VAL MG1 . 16 VAL QG1 1 1
164 1 2 1 1 17 CYS HB2 . 17 CYS HB2 1 1
165 1 1 1 1 16 VAL MG1 . 16 VAL QG1 1 1
165 1 2 1 1 21 PHE QE . 21 PHE QE 1 1
166 1 1 1 1 17 CYS H . 17 CYS HN 1 1
166 1 2 1 1 17 CYS HB2 . 17 CYS HB2 1 1
167 1 1 1 1 17 CYS H . 17 CYS HN 1 1
167 1 2 1 1 17 CYS HB3 . 17 CYS HB3 1 1
168 1 1 1 1 17 CYS H . 17 CYS HN 1 1
168 1 2 1 1 18 LYS H . 18 LYS HN 1 1
169 1 1 1 1 17 CYS HA . 17 CYS HA 1 1
169 1 2 1 1 17 CYS HB3 . 17 CYS HB3 1 1
170 1 1 1 1 17 CYS HA . 17 CYS HA 1 1
170 1 2 1 1 20 ARG H . 20 ARG HN 1 1
171 1 1 1 1 17 CYS HA . 17 CYS HA 1 1
171 1 2 1 1 21 PHE H . 21 PHE HN 1 1
172 1 1 1 1 17 CYS HA . 17 CYS HA 1 1
172 1 2 1 1 21 PHE HB2 . 21 PHE HB2 1 1
173 1 1 1 1 17 CYS HA . 17 CYS HA 1 1
173 1 2 1 1 21 PHE QD . 21 PHE QD 1 1
174 1 1 1 1 17 CYS HB2 . 17 CYS HB2 1 1
174 1 2 1 1 18 LYS H . 18 LYS HN 1 1
175 1 1 1 1 17 CYS HB2 . 17 CYS HB2 1 1
175 1 2 1 1 23 LYS HB2 . 23 LYS HB2 1 1
176 1 1 1 1 17 CYS HB3 . 17 CYS HB3 1 1
176 1 2 1 1 18 LYS H . 18 LYS HN 1 1
177 1 1 1 1 17 CYS HB3 . 17 CYS HB3 1 1
177 1 2 1 1 25 ASN H . 25 ASN HN 1 1
178 1 1 1 1 18 LYS H . 18 LYS HN 1 1
178 1 2 1 1 18 LYS QB . 18 LYS QB 1 1
179 1 1 1 1 18 LYS H . 18 LYS HN 1 1
179 1 2 1 1 19 SER H . 19 SER HN 1 1
180 1 1 1 1 18 LYS HA . 18 LYS HA 1 1
180 1 2 1 1 22 GLY H . 22 GLY HN 1 1
181 1 1 1 1 18 LYS HA . 18 LYS HA 1 1
181 1 2 1 1 23 LYS H . 23 LYS HN 1 1
182 1 1 1 1 18 LYS QB . 18 LYS QB 1 1
182 1 2 1 1 19 SER H . 19 SER HN 1 1
183 1 1 1 1 18 LYS QB . 18 LYS QB 1 1
183 1 2 1 1 24 THR HA . 24 THR HA 1 1
184 1 1 1 1 19 SER H . 19 SER HN 1 1
184 1 2 1 1 19 SER HA . 19 SER HA 1 1
185 1 1 1 1 19 SER H . 19 SER HN 1 1
185 1 2 1 1 20 ARG H . 20 ARG HN 1 1
186 1 1 1 1 20 ARG H . 20 ARG HN 1 1
186 1 2 1 1 20 ARG HB2 . 20 ARG HB2 1 1
187 1 1 1 1 20 ARG H . 20 ARG HN 1 1
187 1 2 1 1 20 ARG HB3 . 20 ARG HB3 1 1
188 1 1 1 1 20 ARG H . 20 ARG HN 1 1
188 1 2 1 1 20 ARG HG2 . 20 ARG HG2 1 1
189 1 1 1 1 20 ARG H . 20 ARG HN 1 1
189 1 2 1 1 20 ARG HG3 . 20 ARG HG3 1 1
190 1 1 1 1 20 ARG H . 20 ARG HN 1 1
190 1 2 1 1 20 ARG QG . 20 ARG QG 1 1
191 1 1 1 1 20 ARG H . 20 ARG HN 1 1
191 1 2 1 1 21 PHE H . 21 PHE HN 1 1
192 1 1 1 1 20 ARG H . 20 ARG HN 1 1
192 1 2 1 1 22 GLY H . 22 GLY HN 1 1
193 1 1 1 1 20 ARG HA . 20 ARG HA 1 1
193 1 2 1 1 20 ARG HB2 . 20 ARG HB2 1 1
194 1 1 1 1 20 ARG HB2 . 20 ARG HB2 1 1
194 1 2 1 1 20 ARG QG . 20 ARG QG 1 1
195 1 1 1 1 20 ARG HB2 . 20 ARG HB2 1 1
195 1 2 1 1 20 ARG HE . 20 ARG HE 1 1
196 1 1 1 1 20 ARG HB2 . 20 ARG HB2 1 1
196 1 2 1 1 21 PHE H . 21 PHE HN 1 1
197 1 1 1 1 20 ARG HB2 . 20 ARG HB2 1 1
197 1 2 1 1 21 PHE QD . 21 PHE QD 1 1
198 1 1 1 1 20 ARG HB2 . 20 ARG HB2 1 1
198 1 2 1 1 21 PHE QE . 21 PHE QE 1 1
199 1 1 1 1 20 ARG HB3 . 20 ARG HB3 1 1
199 1 2 1 1 20 ARG HE . 20 ARG HE 1 1
200 1 1 1 1 20 ARG HB3 . 20 ARG HB3 1 1
200 1 2 1 1 21 PHE H . 21 PHE HN 1 1
201 1 1 1 1 20 ARG HB3 . 20 ARG HB3 1 1
201 1 2 1 1 21 PHE QD . 21 PHE QD 1 1
202 1 1 1 1 21 PHE H . 21 PHE HN 1 1
202 1 2 1 1 21 PHE HB2 . 21 PHE HB2 1 1
203 1 1 1 1 21 PHE H . 21 PHE HN 1 1
203 1 2 1 1 21 PHE HB3 . 21 PHE HB3 1 1
204 1 1 1 1 21 PHE H . 21 PHE HN 1 1
204 1 2 1 1 22 GLY H . 22 GLY HN 1 1
205 1 1 1 1 21 PHE H . 21 PHE HN 1 1
205 1 2 1 1 22 GLY QA . 22 GLY QA 1 1
206 1 1 1 1 21 PHE HA . 21 PHE HA 1 1
206 1 2 1 1 21 PHE HB3 . 21 PHE HB3 1 1
207 1 1 1 1 21 PHE HB2 . 21 PHE HB2 1 1
207 1 2 1 1 22 GLY H . 22 GLY HN 1 1
208 1 1 1 1 21 PHE HB2 . 21 PHE HB2 1 1
208 1 2 1 1 23 LYS H . 23 LYS HN 1 1
209 1 1 1 1 21 PHE HB2 . 21 PHE HB2 1 1
209 1 2 1 1 23 LYS QG . 23 LYS QG 1 1
210 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 1
210 1 2 1 1 23 LYS H . 23 LYS HN 1 1
211 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 1
211 1 2 1 1 23 LYS QG . 23 LYS QG 1 1
212 1 1 1 1 22 GLY H . 22 GLY HN 1 1
212 1 2 1 1 23 LYS H . 23 LYS HN 1 1
213 1 1 1 1 22 GLY QA . 22 GLY QA 1 1
213 1 2 1 1 23 LYS H . 23 LYS HN 1 1
214 1 1 1 1 23 LYS H . 23 LYS HN 1 1
214 1 2 1 1 23 LYS HB2 . 23 LYS HB2 1 1
215 1 1 1 1 23 LYS H . 23 LYS HN 1 1
215 1 2 1 1 23 LYS HB3 . 23 LYS HB3 1 1
216 1 1 1 1 23 LYS H . 23 LYS HN 1 1
216 1 2 1 1 23 LYS HG2 . 23 LYS HG2 1 1
217 1 1 1 1 23 LYS H . 23 LYS HN 1 1
217 1 2 1 1 23 LYS HG3 . 23 LYS HG3 1 1
218 1 1 1 1 23 LYS H . 23 LYS HN 1 1
218 1 2 1 1 23 LYS QG . 23 LYS QG 1 1
219 1 1 1 1 23 LYS HA . 23 LYS HA 1 1
219 1 2 1 1 24 THR H . 24 THR HN 1 1
220 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1
220 1 2 1 1 23 LYS QD . 23 LYS QD 1 1
221 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1
221 1 2 1 1 24 THR H . 24 THR HN 1 1
222 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1
222 1 2 1 1 35 CYS HB2 . 35 CYS HB2 1 1
223 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1
223 1 2 1 1 35 CYS HB3 . 35 CYS HB3 1 1
224 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1
224 1 2 1 1 24 THR H . 24 THR HN 1 1
225 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1
225 1 2 1 1 25 ASN H . 25 ASN HN 1 1
226 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1
226 1 2 1 1 35 CYS HB3 . 35 CYS HB3 1 1
227 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1
227 1 2 1 1 36 PHE H . 36 PHE HN 1 1
228 1 1 1 1 23 LYS HG2 . 23 LYS HG2 1 1
228 1 2 1 1 36 PHE H . 36 PHE HN 1 1
229 1 1 1 1 23 LYS HG3 . 23 LYS HG3 1 1
229 1 2 1 1 36 PHE H . 36 PHE HN 1 1
230 1 1 1 1 23 LYS QG . 23 LYS QG 1 1
230 1 2 1 1 24 THR H . 24 THR HN 1 1
231 1 1 1 1 23 LYS QG . 23 LYS QG 1 1
231 1 2 1 1 35 CYS HB3 . 35 CYS HB3 1 1
232 1 1 1 1 23 LYS QD . 23 LYS QD 1 1
232 1 2 1 1 24 THR H . 24 THR HN 1 1
233 1 1 1 1 24 THR H . 24 THR HN 1 1
233 1 2 1 1 24 THR HB . 24 THR HB 1 1
234 1 1 1 1 24 THR H . 24 THR HN 1 1
234 1 2 1 1 24 THR MG . 24 THR QG2 1 1
235 1 1 1 1 24 THR H . 24 THR HN 1 1
235 1 2 1 1 25 ASN H . 25 ASN HN 1 1
236 1 1 1 1 24 THR HA . 24 THR HA 1 1
236 1 2 1 1 24 THR HB . 24 THR HB 1 1
237 1 1 1 1 24 THR HA . 24 THR HA 1 1
237 1 2 1 1 25 ASN H . 25 ASN HN 1 1
238 1 1 1 1 24 THR HB . 24 THR HB 1 1
238 1 2 1 1 25 ASN H . 25 ASN HN 1 1
239 1 1 1 1 24 THR MG . 24 THR QG2 1 1
239 1 2 1 1 25 ASN H . 25 ASN HN 1 1
240 1 1 1 1 25 ASN H . 25 ASN HN 1 1
240 1 2 1 1 25 ASN HB2 . 25 ASN HB2 1 1
241 1 1 1 1 25 ASN H . 25 ASN HN 1 1
241 1 2 1 1 25 ASN HB3 . 25 ASN HB3 1 1
242 1 1 1 1 25 ASN H . 25 ASN HN 1 1
242 1 2 1 1 25 ASN HD21 . 25 ASN HD21 1 1
243 1 1 1 1 25 ASN H . 25 ASN HN 1 1
243 1 2 1 1 36 PHE H . 36 PHE HN 1 1
244 1 1 1 1 25 ASN HA . 25 ASN HA 1 1
244 1 2 1 1 25 ASN HB2 . 25 ASN HB2 1 1
245 1 1 1 1 25 ASN HA . 25 ASN HA 1 1
245 1 2 1 1 26 GLY H . 26 GLY HN 1 1
246 1 1 1 1 25 ASN HB3 . 25 ASN HB3 1 1
246 1 2 1 1 26 GLY H . 26 GLY HN 1 1
247 1 1 1 1 25 ASN HB3 . 25 ASN HB3 1 1
247 1 2 1 1 36 PHE H . 36 PHE HN 1 1
248 1 1 1 1 25 ASN HB3 . 25 ASN HB3 1 1
248 1 2 1 1 36 PHE QD . 36 PHE QD 1 1
249 1 1 1 1 26 GLY H . 26 GLY HN 1 1
249 1 2 1 1 27 ARG H . 27 ARG HN 1 1
250 1 1 1 1 26 GLY HA2 . 26 GLY HA1 1 1
250 1 2 1 1 27 ARG H . 27 ARG HN 1 1
251 1 1 1 1 26 GLY HA2 . 26 GLY HA1 1 1
251 1 2 1 1 35 CYS HA . 35 CYS HA 1 1
252 1 1 1 1 26 GLY HA2 . 26 GLY HA1 1 1
252 1 2 1 1 36 PHE H . 36 PHE HN 1 1
253 1 1 1 1 26 GLY HA3 . 26 GLY HA2 1 1
253 1 2 1 1 27 ARG H . 27 ARG HN 1 1
254 1 1 1 1 26 GLY HA3 . 26 GLY HA2 1 1
254 1 2 1 1 35 CYS HA . 35 CYS HA 1 1
255 1 1 1 1 27 ARG H . 27 ARG HN 1 1
255 1 2 1 1 33 CYS HA . 33 CYS HA 1 1
256 1 1 1 1 27 ARG H . 27 ARG HN 1 1
256 1 2 1 1 34 ASP H . 34 ASP HN 1 1
257 1 1 1 1 27 ARG H . 27 ARG HN 1 1
257 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
258 1 1 1 1 27 ARG H . 27 ARG HN 1 1
258 1 2 1 1 34 ASP HB3 . 34 ASP HB3 1 1
259 1 1 1 1 27 ARG H . 27 ARG HN 1 1
259 1 2 1 1 35 CYS HA . 35 CYS HA 1 1
260 1 1 1 1 27 ARG H . 27 ARG HN 1 1
260 1 2 1 1 36 PHE QE . 36 PHE QE 1 1
261 1 1 1 1 27 ARG HA . 27 ARG HA 1 1
261 1 2 1 1 28 CYS H . 28 CYS HN 1 1
262 1 1 1 1 27 ARG QB . 27 ARG QB 1 1
262 1 2 1 1 29 VAL MG2 . 29 VAL QG2 1 1
263 1 1 1 1 27 ARG QB . 27 ARG QB 1 1
263 1 2 1 1 36 PHE QE . 36 PHE QE 1 1
264 1 1 1 1 28 CYS H . 28 CYS HN 1 1
264 1 2 1 1 28 CYS HB2 . 28 CYS HB2 1 1
265 1 1 1 1 28 CYS H . 28 CYS HN 1 1
265 1 2 1 1 28 CYS HB3 . 28 CYS HB3 1 1
266 1 1 1 1 28 CYS H . 28 CYS HN 1 1
266 1 2 1 1 29 VAL MG2 . 29 VAL QG2 1 1
267 1 1 1 1 28 CYS HA . 28 CYS HA 1 1
267 1 2 1 1 28 CYS HB2 . 28 CYS HB2 1 1
268 1 1 1 1 28 CYS HA . 28 CYS HA 1 1
268 1 2 1 1 29 VAL H . 29 VAL HN 1 1
269 1 1 1 1 28 CYS HA . 28 CYS HA 1 1
269 1 2 1 1 29 VAL MG2 . 29 VAL QG2 1 1
270 1 1 1 1 28 CYS HA . 28 CYS HA 1 1
270 1 2 1 1 34 ASP H . 34 ASP HN 1 1
271 1 1 1 1 29 VAL H . 29 VAL HN 1 1
271 1 2 1 1 29 VAL HB . 29 VAL HB 1 1
272 1 1 1 1 29 VAL H . 29 VAL HN 1 1
272 1 2 1 1 32 PHE H . 32 PHE HN 1 1
273 1 1 1 1 29 VAL H . 29 VAL HN 1 1
273 1 2 1 1 33 CYS HA . 33 CYS HA 1 1
274 1 1 1 1 29 VAL HA . 29 VAL HA 1 1
274 1 2 1 1 30 ASN H . 30 ASN HN 1 1
275 1 1 1 1 29 VAL HA . 29 VAL HA 1 1
275 1 2 1 1 31 GLY H . 31 GLY HN 1 1
276 1 1 1 1 29 VAL HB . 29 VAL HB 1 1
276 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
277 1 1 1 1 29 VAL MG1 . 29 VAL QG1 1 1
277 1 2 1 1 30 ASN H . 30 ASN HN 1 1
278 1 1 1 1 29 VAL MG1 . 29 VAL QG1 1 1
278 1 2 1 1 30 ASN HB2 . 30 ASN HB2 1 1
279 1 1 1 1 29 VAL MG1 . 29 VAL QG1 1 1
279 1 2 1 1 30 ASN HD21 . 30 ASN HD21 1 1
280 1 1 1 1 29 VAL MG1 . 29 VAL QG1 1 1
280 1 2 1 1 30 ASN HD22 . 30 ASN HD22 1 1
281 1 1 1 1 29 VAL MG1 . 29 VAL QG1 1 1
281 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
282 1 1 1 1 29 VAL MG2 . 29 VAL QG2 1 1
282 1 2 1 1 30 ASN H . 30 ASN HN 1 1
283 1 1 1 1 29 VAL MG2 . 29 VAL QG2 1 1
283 1 2 1 1 34 ASP H . 34 ASP HN 1 1
284 1 1 1 1 29 VAL MG2 . 29 VAL QG2 1 1
284 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
285 1 1 1 1 29 VAL MG2 . 29 VAL QG2 1 1
285 1 2 1 1 34 ASP HB3 . 34 ASP HB3 1 1
286 1 1 1 1 30 ASN H . 30 ASN HN 1 1
286 1 2 1 1 30 ASN HA . 30 ASN HA 1 1
287 1 1 1 1 30 ASN H . 30 ASN HN 1 1
287 1 2 1 1 31 GLY H . 31 GLY HN 1 1
288 1 1 1 1 30 ASN HA . 30 ASN HA 1 1
288 1 2 1 1 30 ASN HB3 . 30 ASN HB3 1 1
289 1 1 1 1 30 ASN HA . 30 ASN HA 1 1
289 1 2 1 1 31 GLY H . 31 GLY HN 1 1
290 1 1 1 1 31 GLY H . 31 GLY HN 1 1
290 1 2 1 1 31 GLY HA2 . 31 GLY HA1 1 1
291 1 1 1 1 31 GLY H . 31 GLY HN 1 1
291 1 2 1 1 31 GLY HA3 . 31 GLY HA2 1 1
292 1 1 1 1 31 GLY H . 31 GLY HN 1 1
292 1 2 1 1 32 PHE H . 32 PHE HN 1 1
293 1 1 1 1 31 GLY HA2 . 31 GLY HA1 1 1
293 1 2 1 1 32 PHE H . 32 PHE HN 1 1
294 1 1 1 1 31 GLY HA3 . 31 GLY HA2 1 1
294 1 2 1 1 32 PHE H . 32 PHE HN 1 1
295 1 1 1 1 32 PHE H . 32 PHE HN 1 1
295 1 2 1 1 32 PHE HB2 . 32 PHE HB2 1 1
296 1 1 1 1 32 PHE H . 32 PHE HN 1 1
296 1 2 1 1 32 PHE HB3 . 32 PHE HB3 1 1
297 1 1 1 1 32 PHE H . 32 PHE HN 1 1
297 1 2 1 1 33 CYS H . 33 CYS HN 1 1
298 1 1 1 1 32 PHE HA . 32 PHE HA 1 1
298 1 2 1 1 32 PHE HB3 . 32 PHE HB3 1 1
299 1 1 1 1 32 PHE HA . 32 PHE HA 1 1
299 1 2 1 1 33 CYS H . 33 CYS HN 1 1
300 1 1 1 1 32 PHE HB2 . 32 PHE HB2 1 1
300 1 2 1 1 33 CYS H . 33 CYS HN 1 1
301 1 1 1 1 32 PHE HB3 . 32 PHE HB3 1 1
301 1 2 1 1 33 CYS H . 33 CYS HN 1 1
302 1 1 1 1 33 CYS H . 33 CYS HN 1 1
302 1 2 1 1 33 CYS HB2 . 33 CYS HB2 1 1
303 1 1 1 1 33 CYS H . 33 CYS HN 1 1
303 1 2 1 1 33 CYS HB3 . 33 CYS HB3 1 1
304 1 1 1 1 33 CYS HA . 33 CYS HA 1 1
304 1 2 1 1 33 CYS HB3 . 33 CYS HB3 1 1
305 1 1 1 1 33 CYS HA . 33 CYS HA 1 1
305 1 2 1 1 34 ASP H . 34 ASP HN 1 1
306 1 1 1 1 33 CYS HB2 . 33 CYS HB2 1 1
306 1 2 1 1 34 ASP H . 34 ASP HN 1 1
307 1 1 1 1 34 ASP H . 34 ASP HN 1 1
307 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
308 1 1 1 1 34 ASP H . 34 ASP HN 1 1
308 1 2 1 1 34 ASP HB3 . 34 ASP HB3 1 1
309 1 1 1 1 34 ASP HA . 34 ASP HA 1 1
309 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 1
310 1 1 1 1 34 ASP HA . 34 ASP HA 1 1
310 1 2 1 1 35 CYS H . 35 CYS HN 1 1
311 1 1 1 1 35 CYS H . 35 CYS HN 1 1
311 1 2 1 1 35 CYS HB2 . 35 CYS HB2 1 1
312 1 1 1 1 35 CYS H . 35 CYS HN 1 1
312 1 2 1 1 35 CYS HB3 . 35 CYS HB3 1 1
313 1 1 1 1 35 CYS HA . 35 CYS HA 1 1
313 1 2 1 1 35 CYS HB3 . 35 CYS HB3 1 1
314 1 1 1 1 35 CYS HA . 35 CYS HA 1 1
314 1 2 1 1 36 PHE H . 36 PHE HN 1 1
315 1 1 1 1 35 CYS HB2 . 35 CYS HB2 1 1
315 1 2 1 1 36 PHE H . 36 PHE HN 1 1
316 1 1 1 1 35 CYS HB3 . 35 CYS HB3 1 1
316 1 2 1 1 36 PHE H . 36 PHE HN 1 1
317 1 1 1 1 36 PHE H . 36 PHE HN 1 1
317 1 2 1 1 36 PHE HB2 . 36 PHE HB2 1 1
318 1 1 1 1 36 PHE H . 36 PHE HN 1 1
318 1 2 1 1 36 PHE HB3 . 36 PHE HB3 1 1
319 1 1 1 1 36 PHE HA . 36 PHE HA 1 1
319 1 2 1 1 36 PHE HB2 . 36 PHE HB2 1 1
320 1 1 1 1 36 PHE HA . 36 PHE HA 1 1
320 1 2 1 1 36 PHE HB3 . 36 PHE HB3 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.08 1 1
2 1 . . . . . . . 2.62 1 1
3 1 . . . . . . . 4.14 1 1
4 1 . . . . . . . 5.01 1 1
5 1 . . . . . . . 2.59 1 1
6 1 . . . . . . . 2.8 1 1
7 1 . . . . . . . 4.07 1 1
8 1 . . . . . . . 3.48 1 1
9 1 . . . . . . . 6.53 1 1
10 1 . . . . . . . 3.76 1 1
11 1 . . . . . . . 4.48 1 1
12 1 . . . . . . . 4.17 1 1
13 1 . . . . . . . 3.55 1 1
14 1 . . . . . . . 3.21 1 1
15 1 . . . . . . . 2.46 1 1
16 1 . . . . . . . 3.05 1 1
17 1 . . . . . . . 5.85 1 1
18 1 . . . . . . . 6.43 1 1
19 1 . . . . . . . 5.47 1 1
20 1 . . . . . . . 5.6 1 1
21 1 . . . . . . . 6.53 1 1
22 1 . . . . . . . 8.65 1 1
23 1 . . . . . . . 5.91 1 1
24 1 . . . . . . . 5.72 1 1
25 1 . . . . . . . 5.26 1 1
26 1 . . . . . . . 5.6 1 1
27 1 . . . . . . . 3.76 1 1
28 1 . . . . . . . 3.21 1 1
29 1 . . . . . . . 3.08 1 1
30 1 . . . . . . . 6.53 1 1
31 1 . . . . . . . 2.68 1 1
32 1 . . . . . . . 3.61 1 1
33 1 . . . . . . . 3.61 1 1
34 1 . . . . . . . 3.33 1 1
35 1 . . . . . . . 6.82 1 1
36 1 . . . . . . . 4.04 1 1
37 1 . . . . . . . 5.5 1 1
38 1 . . . . . . . 4.11 1 1
39 1 . . . . . . . 4.11 1 1
40 1 . . . . . . . 3.71 1 1
41 1 . . . . . . . 2.4 1 1
42 1 . . . . . . . 4.04 1 1
43 1 . . . . . . . 2.93 1 1
44 1 . . . . . . . 4.91 1 1
45 1 . . . . . . . 4.3 1 1
46 1 . . . . . . . 6.53 1 1
47 1 . . . . . . . 6.53 1 1
48 1 . . . . . . . 4.67 1 1
49 1 . . . . . . . 5.14 1 1
50 1 . . . . . . . 6.45 1 1
51 1 . . . . . . . 6.56 1 1
52 1 . . . . . . . 5.72 1 1
53 1 . . . . . . . 3.71 1 1
54 1 . . . . . . . 2.4 1 1
55 1 . . . . . . . 2.71 1 1
56 1 . . . . . . . 6.54 1 1
57 1 . . . . . . . 4.01 1 1
58 1 . . . . . . . 4.21 1 1
59 1 . . . . . . . 4.14 1 1
60 1 . . . . . . . 3.83 1 1
61 1 . . . . . . . 3.95 1 1
62 1 . . . . . . . 4.57 1 1
63 1 . . . . . . . 3.21 1 1
64 1 . . . . . . . 2.59 1 1
65 1 . . . . . . . 2.62 1 1
66 1 . . . . . . . 2.59 1 1
67 1 . . . . . . . 3.73 1 1
68 1 . . . . . . . 5.5 1 1
69 1 . . . . . . . 3.27 1 1
70 1 . . . . . . . 3.17 1 1
71 1 . . . . . . . 4.29 1 1
72 1 . . . . . . . 4.14 1 1
73 1 . . . . . . . 3.79 1 1
74 1 . . . . . . . 2.49 1 1
75 1 . . . . . . . 5.28 1 1
76 1 . . . . . . . 2.83 1 1
77 1 . . . . . . . 2.86 1 1
78 1 . . . . . . . 3.36 1 1
79 1 . . . . . . . 5.44 1 1
80 1 . . . . . . . 2.83 1 1
81 1 . . . . . . . 2.62 1 1
82 1 . . . . . . . 4.07 1 1
83 1 . . . . . . . 6.52 1 1
84 1 . . . . . . . 6.64 1 1
85 1 . . . . . . . 3.52 1 1
86 1 . . . . . . . 3.58 1 1
87 1 . . . . . . . 6.46 1 1
88 1 . . . . . . . 6.92 1 1
89 1 . . . . . . . 2.99 1 1
90 1 . . . . . . . 3.7 1 1
91 1 . . . . . . . 3.55 1 1
92 1 . . . . . . . 5.5 1 1
93 1 . . . . . . . 5.44 1 1
94 1 . . . . . . . 4.14 1 1
95 1 . . . . . . . 4.38 1 1
96 1 . . . . . . . 3.92 1 1
97 1 . . . . . . . 2.93 1 1
98 1 . . . . . . . 2.62 1 1
99 1 . . . . . . . 3.64 1 1
100 1 . . . . . . . 5.5 1 1
101 1 . . . . . . . 4.29 1 1
102 1 . . . . . . . 3.14 1 1
103 1 . . . . . . . 4.35 1 1
104 1 . . . . . . . 3.39 1 1
105 1 . . . . . . . 2.83 1 1
106 1 . . . . . . . 3.33 1 1
107 1 . . . . . . . 2.59 1 1
108 1 . . . . . . . 2.71 1 1
109 1 . . . . . . . 4.42 1 1
110 1 . . . . . . . 4.76 1 1
111 1 . . . . . . . 4.51 1 1
112 1 . . . . . . . 6.85 1 1
113 1 . . . . . . . 2.86 1 1
114 1 . . . . . . . 3.79 1 1
115 1 . . . . . . . 4.23 1 1
116 1 . . . . . . . 3.39 1 1
117 1 . . . . . . . 2.96 1 1
118 1 . . . . . . . 3.05 1 1
119 1 . . . . . . . 3.86 1 1
120 1 . . . . . . . 3.76 1 1
121 1 . . . . . . . 6.38 1 1
122 1 . . . . . . . 4.42 1 1
123 1 . . . . . . . 2.83 1 1
124 1 . . . . . . . 3.61 1 1
125 1 . . . . . . . 2.86 1 1
126 1 . . . . . . . 4.29 1 1
127 1 . . . . . . . 3.76 1 1
128 1 . . . . . . . 5.63 1 1
129 1 . . . . . . . 5.91 1 1
130 1 . . . . . . . 4.38 1 1
131 1 . . . . . . . 3.67 1 1
132 1 . . . . . . . 4.29 1 1
133 1 . . . . . . . 4.63 1 1
134 1 . . . . . . . 4.64 1 1
135 1 . . . . . . . 3.92 1 1
136 1 . . . . . . . 5.5 1 1
137 1 . . . . . . . 5.5 1 1
138 1 . . . . . . . 3.24 1 1
139 1 . . . . . . . 2.9 1 1
140 1 . . . . . . . 6.38 1 1
141 1 . . . . . . . 4.98 1 1
142 1 . . . . . . . 2.83 1 1
143 1 . . . . . . . 2.99 1 1
144 1 . . . . . . . 4.42 1 1
145 1 . . . . . . . 3.92 1 1
146 1 . . . . . . . 5.07 1 1
147 1 . . . . . . . 4.82 1 1
148 1 . . . . . . . 4.52 1 1
149 1 . . . . . . . 4.21 1 1
150 1 . . . . . . . 3.86 1 1
151 1 . . . . . . . 4.83 1 1
152 1 . . . . . . . 3.39 1 1
153 1 . . . . . . . 4.63 1 1
154 1 . . . . . . . 5.45 1 1
155 1 . . . . . . . 5.11 1 1
156 1 . . . . . . . 2.96 1 1
157 1 . . . . . . . 4.76 1 1
158 1 . . . . . . . 2.9 1 1
159 1 . . . . . . . 3.58 1 1
160 1 . . . . . . . 4.2 1 1
161 1 . . . . . . . 3.21 1 1
162 1 . . . . . . . 5.26 1 1
163 1 . . . . . . . 5.94 1 1
164 1 . . . . . . . 6.53 1 1
165 1 . . . . . . . 6.98 1 1
166 1 . . . . . . . 2.65 1 1
167 1 . . . . . . . 3.52 1 1
168 1 . . . . . . . 2.93 1 1
169 1 . . . . . . . 2.9 1 1
170 1 . . . . . . . 4.26 1 1
171 1 . . . . . . . 3.76 1 1
172 1 . . . . . . . 3.45 1 1
173 1 . . . . . . . 5.48 1 1
174 1 . . . . . . . 3.08 1 1
175 1 . . . . . . . 4.23 1 1
176 1 . . . . . . . 4.11 1 1
177 1 . . . . . . . 5.5 1 1
178 1 . . . . . . . 3.68 1 1
179 1 . . . . . . . 2.96 1 1
180 1 . . . . . . . 3.58 1 1
181 1 . . . . . . . 2.8 1 1
182 1 . . . . . . . 3.99 1 1
183 1 . . . . . . . 6.38 1 1
184 1 . . . . . . . 2.9 1 1
185 1 . . . . . . . 2.96 1 1
186 1 . . . . . . . 3.58 1 1
187 1 . . . . . . . 2.86 1 1
188 1 . . . . . . . 5.28 1 1
189 1 . . . . . . . 5.28 1 1
190 1 . . . . . . . 4.76 1 1
191 1 . . . . . . . 2.83 1 1
192 1 . . . . . . 3.0 4.29 1 1
193 1 . . . . . . . 3.05 1 1
194 1 . . . . . . . 2.6 1 1
195 1 . . . . . . . 5.16 1 1
196 1 . . . . . . . 4.11 1 1
197 1 . . . . . . . 6.63 1 1
198 1 . . . . . . . 6.47 1 1
199 1 . . . . . . . 5.5 1 1
200 1 . . . . . . . 3.48 1 1
201 1 . . . . . . . 6.88 1 1
202 1 . . . . . . . 2.93 1 1
203 1 . . . . . . . 3.52 1 1
204 1 . . . . . . . 2.65 1 1
205 1 . . . . . . . 5.73 1 1
206 1 . . . . . . . 2.83 1 1
207 1 . . . . . . . 4.32 1 1
208 1 . . . . . . . 3.83 1 1
209 1 . . . . . . . 5.42 1 1
210 1 . . . . . . . 4.69 1 1
211 1 . . . . . . . 5.11 1 1
212 1 . . . . . . . 3.05 1 1
213 1 . . . . . . . 4.11 1 1
214 1 . . . . . . . 2.74 1 1
215 1 . . . . . . . 3.48 1 1
216 1 . . . . . . . 5.25 1 1
217 1 . . . . . . . 5.25 1 1
218 1 . . . . . . . 4.44 1 1
219 1 . . . . . . . 2.74 1 1
220 1 . . . . . . . 3.37 1 1
221 1 . . . . . . . 4.23 1 1
222 1 . . . . . . . 4.97 1 1
223 1 . . . . . . . 2.65 1 1
224 1 . . . . . . . 3.17 1 1
225 1 . . . . . . . 3.21 1 1
226 1 . . . . . . . 3.61 1 1
227 1 . . . . . . . 4.04 1 1
228 1 . . . . . . . 5.5 1 1
229 1 . . . . . . . 5.5 1 1
230 1 . . . . . . . 6.38 1 1
231 1 . . . . . . . 4.4 1 1
232 1 . . . . . . . 6.38 1 1
233 1 . . . . . . . 3.55 1 1
234 1 . . . . . . . 3.99 1 1
235 1 . . . . . . . 2.8 1 1
236 1 . . . . . . . 2.9 1 1
237 1 . . . . . . . 3.65 1 1
238 1 . . . . . . . 4.11 1 1
239 1 . . . . . . . 6.37 1 1
240 1 . . . . . . . 3.55 1 1
241 1 . . . . . . . 3.08 1 1
242 1 . . . . . . . 5.38 1 1
243 1 . . . . . . . 3.61 1 1
244 1 . . . . . . . 2.93 1 1
245 1 . . . . . . . 2.86 1 1
246 1 . . . . . . . 3.58 1 1
247 1 . . . . . . . 4.91 1 1
248 1 . . . . . . . 6.63 1 1
249 1 . . . . . . . 4.35 1 1
250 1 . . . . . . . 2.59 1 1
251 1 . . . . . . . 2.9 1 1
252 1 . . . . . . . 3.76 1 1
253 1 . . . . . . . 2.96 1 1
254 1 . . . . . . . 3.48 1 1
255 1 . . . . . . . 4.72 1 1
256 1 . . . . . . . 3.05 1 1
257 1 . . . . . . . 5.5 1 1
258 1 . . . . . . . 4.85 1 1
259 1 . . . . . . . 4.35 1 1
260 1 . . . . . . . 7.62 1 1
261 1 . . . . . . . 2.52 1 1
262 1 . . . . . . . 6.26 1 1
263 1 . . . . . . . 7.88 1 1
264 1 . . . . . . . 3.05 1 1
265 1 . . . . . . . 2.9 1 1
266 1 . . . . . . . 6.53 1 1
267 1 . . . . . . . 2.96 1 1
268 1 . . . . . . . 2.43 1 1
269 1 . . . . . . . 6.53 1 1
270 1 . . . . . . . 3.7 1 1
271 1 . . . . . . . 3.02 1 1
272 1 . . . . . . . 3.3 1 1
273 1 . . . . . . . 3.61 1 1
274 1 . . . . . . . 2.4 1 1
275 1 . . . . . . . 5.0 1 1
276 1 . . . . . . . 4.42 1 1
277 1 . . . . . . . 4.88 1 1
278 1 . . . . . . 3.0 4.82 1 1
279 1 . . . . . . . 6.53 1 1
280 1 . . . . . . . 6.53 1 1
281 1 . . . . . . . 6.12 1 1
282 1 . . . . . . . 6.53 1 1
283 1 . . . . . . . 6.34 1 1
284 1 . . . . . . . 4.61 1 1
285 1 . . . . . . . 4.11 1 1
286 1 . . . . . . . 2.46 1 1
287 1 . . . . . . . 3.17 1 1
288 1 . . . . . . . 2.96 1 1
289 1 . . . . . . . 2.99 1 1
290 1 . . . . . . . 2.59 1 1
291 1 . . . . . . . 2.86 1 1
292 1 . . . . . . . 2.96 1 1
293 1 . . . . . . . 3.33 1 1
294 1 . . . . . . . 3.45 1 1
295 1 . . . . . . . 2.93 1 1
296 1 . . . . . . . 3.76 1 1
297 1 . . . . . . . 4.45 1 1
298 1 . . . . . . . 2.83 1 1
299 1 . . . . . . . 2.49 1 1
300 1 . . . . . . . 4.11 1 1
301 1 . . . . . . . 3.05 1 1
302 1 . . . . . . . 2.68 1 1
303 1 . . . . . . . 3.48 1 1
304 1 . . . . . . . 2.86 1 1
305 1 . . . . . . . 2.4 1 1
306 1 . . . . . . . 4.69 1 1
307 1 . . . . . . . 3.03 1 1
308 1 . . . . . . . 2.96 1 1
309 1 . . . . . . . 3.02 1 1
310 1 . . . . . . . 2.43 1 1
311 1 . . . . . . . 2.9 1 1
312 1 . . . . . . . 3.64 1 1
313 1 . . . . . . . 2.74 1 1
314 1 . . . . . . . 2.52 1 1
315 1 . . . . . . . 4.38 1 1
316 1 . . . . . . . 3.36 1 1
317 1 . . . . . . . 4.07 1 1
318 1 . . . . . . . 3.73 1 1
319 1 . . . . . . . 2.74 1 1
320 1 . . . . . . . 2.59 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
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 PRO HA . 2 PRO HA 1 2
1 1 2 1 1 34 ASP HB2 . 34 ASP HB2 1 2
2 1 1 1 1 2 PRO HB2 . 2 PRO HB2 1 2
2 1 2 1 1 32 PHE HB2 . 32 PHE HB2 1 2
3 1 1 1 1 2 PRO HB3 . 2 PRO HB3 1 2
3 1 2 1 1 32 PHE HB2 . 32 PHE HB2 1 2
4 1 1 1 1 3 THR H . 3 THR HN 1 2
4 1 2 1 1 32 PHE HB3 . 32 PHE HB3 1 2
5 1 1 1 1 3 THR MG . 3 THR HG21 1 2
5 1 2 1 1 21 PHE HE2 . 21 PHE HE2 1 2
6 1 1 1 1 3 THR MG . 3 THR HG22 1 2
6 1 2 1 1 21 PHE HE1 . 21 PHE HE1 1 2
7 1 1 1 1 4 ASP H . 4 ASP HN 1 2
7 1 2 1 1 5 ILE HG13 . 5 ILE HG13 1 2
8 1 1 1 1 5 ILE MD . 5 ILE HD11 1 2
8 1 2 1 1 20 ARG HE . 20 ARG HE 1 2
9 1 1 1 1 6 LYS HB2 . 6 LYS HB2 1 2
9 1 2 1 1 32 PHE HE1 . 32 PHE HE1 1 2
10 1 1 1 1 6 LYS HB2 . 6 LYS HB2 1 2
10 1 2 1 1 32 PHE HE2 . 32 PHE HE2 1 2
11 1 1 1 1 6 LYS HD2 . 6 LYS HD2 1 2
11 1 2 1 1 7 CYS H . 7 CYS HN 1 2
12 1 1 1 1 6 LYS HD2 . 6 LYS HD2 1 2
12 1 2 1 1 7 CYS HA . 7 CYS HA 1 2
13 1 1 1 1 6 LYS HD3 . 6 LYS HD3 1 2
13 1 2 1 1 7 CYS H . 7 CYS HN 1 2
14 1 1 1 1 6 LYS HD3 . 6 LYS HD3 1 2
14 1 2 1 1 7 CYS HA . 7 CYS HA 1 2
15 1 1 1 1 9 GLU H . 9 GLU HN 1 2
15 1 2 1 1 11 TYR HE1 . 11 TYR HE1 1 2
16 1 1 1 1 9 GLU H . 9 GLU HN 1 2
16 1 2 1 1 11 TYR HE2 . 11 TYR HE2 1 2
17 1 1 1 1 9 GLU HB3 . 9 GLU HB3 1 2
17 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 2
18 1 1 1 1 12 GLN HA . 12 GLN HA 1 2
18 1 2 1 1 15 PRO HG2 . 15 PRO HG2 1 2
19 1 1 1 1 13 CYS HB3 . 13 CYS HB3 1 2
19 1 2 1 1 33 CYS HA . 33 CYS HA 1 2
20 1 1 1 1 16 VAL MG1 . 16 VAL HG11 1 2
20 1 2 1 1 33 CYS HB2 . 33 CYS HB2 1 2
21 1 1 1 1 16 VAL MG1 . 16 VAL HG11 1 2
21 1 2 1 1 33 CYS HB3 . 33 CYS HB3 1 2
22 1 1 1 1 20 ARG HG2 . 20 ARG HG2 1 2
22 1 2 1 1 21 PHE HD1 . 21 PHE HD1 1 2
23 1 1 1 1 20 ARG HG2 . 20 ARG HG2 1 2
23 1 2 1 1 21 PHE HE1 . 21 PHE HE1 1 2
24 1 1 1 1 20 ARG HG2 . 20 ARG HG2 1 2
24 1 2 1 1 21 PHE HE2 . 21 PHE HE2 1 2
25 1 1 1 1 20 ARG HG2 . 20 ARG HG2 1 2
25 1 2 1 1 21 PHE HD2 . 21 PHE HD2 1 2
26 1 1 1 1 20 ARG HG3 . 20 ARG HG3 1 2
26 1 2 1 1 21 PHE HD1 . 21 PHE HD1 1 2
27 1 1 1 1 20 ARG HG3 . 20 ARG HG3 1 2
27 1 2 1 1 21 PHE HE1 . 21 PHE HE1 1 2
28 1 1 1 1 20 ARG HG3 . 20 ARG HG3 1 2
28 1 2 1 1 21 PHE HE2 . 21 PHE HE2 1 2
29 1 1 1 1 20 ARG HG3 . 20 ARG HG3 1 2
29 1 2 1 1 21 PHE HD2 . 21 PHE HD2 1 2
30 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 2
30 1 2 1 1 23 LYS HD2 . 23 LYS HD2 1 2
31 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 2
31 1 2 1 1 23 LYS HD3 . 23 LYS HD3 1 2
32 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 2
32 1 2 1 1 23 LYS HE2 . 23 LYS HE2 1 2
33 1 1 1 1 21 PHE HB3 . 21 PHE HB3 1 2
33 1 2 1 1 23 LYS HE3 . 23 LYS HE3 1 2
34 1 1 1 1 22 GLY H . 22 GLY HN 1 2
34 1 2 1 1 23 LYS HD2 . 23 LYS HD2 1 2
35 1 1 1 1 23 LYS HD2 . 23 LYS HD2 1 2
35 1 2 1 1 24 THR H . 24 THR HN 1 2
36 1 1 1 1 23 LYS HD3 . 23 LYS HD3 1 2
36 1 2 1 1 24 THR H . 24 THR HN 1 2
37 1 1 1 1 23 LYS HD3 . 23 LYS HD3 1 2
37 1 2 1 1 35 CYS HB2 . 35 CYS HB2 1 2
38 1 1 1 1 23 LYS HE2 . 23 LYS HE2 1 2
38 1 2 1 1 35 CYS HB2 . 35 CYS HB2 1 2
39 1 1 1 1 23 LYS HE3 . 23 LYS HE3 1 2
39 1 2 1 1 36 PHE HA . 36 PHE HA 1 2
40 1 1 1 1 24 THR MG . 24 THR HG21 1 2
40 1 2 1 1 25 ASN HD21 . 25 ASN HD21 1 2
41 1 1 1 1 24 THR MG . 24 THR HG22 1 2
41 1 2 1 1 25 ASN HD22 . 25 ASN HD22 1 2
42 1 1 1 1 25 ASN HA . 25 ASN HA 1 2
42 1 2 1 1 25 ASN HD22 . 25 ASN HD22 1 2
43 1 1 1 1 26 GLY HA2 . 26 GLY HA1 1 2
43 1 2 1 1 36 PHE HE1 . 36 PHE HE1 1 2
44 1 1 1 1 26 GLY HA2 . 26 GLY HA1 1 2
44 1 2 1 1 36 PHE HE2 . 36 PHE HE2 1 2
45 1 1 1 1 29 VAL HB . 29 VAL HB 1 2
45 1 2 1 1 34 ASP HB3 . 34 ASP HB3 1 2
46 1 1 1 1 30 ASN HA . 30 ASN HA 1 2
46 1 2 1 1 30 ASN HD22 . 30 ASN HD22 1 2
47 1 1 1 1 30 ASN HB3 . 30 ASN HB3 1 2
47 1 2 1 1 32 PHE HB2 . 32 PHE HB2 1 2
48 1 1 1 1 30 ASN HB3 . 30 ASN HB3 1 2
48 1 2 1 1 32 PHE HD1 . 32 PHE HD1 1 2
49 1 1 1 1 30 ASN HB3 . 30 ASN HB3 1 2
49 1 2 1 1 32 PHE HD2 . 32 PHE HD2 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.0 . 1 2
2 1 . . . . . . 3.0 . 1 2
3 1 . . . . . . 3.0 . 1 2
4 1 . . . . . . 3.0 . 1 2
5 1 . . . . . . 3.0 . 1 2
6 1 . . . . . . 3.0 . 1 2
7 1 . . . . . . 3.0 . 1 2
8 1 . . . . . . 3.0 . 1 2
9 1 . . . . . . 3.0 . 1 2
10 1 . . . . . . 3.0 . 1 2
11 1 . . . . . . 3.0 . 1 2
12 1 . . . . . . 3.0 . 1 2
13 1 . . . . . . 3.0 . 1 2
14 1 . . . . . . 3.0 . 1 2
15 1 . . . . . . 3.0 . 1 2
16 1 . . . . . . 3.0 . 1 2
17 1 . . . . . . 3.0 . 1 2
18 1 . . . . . . 3.0 . 1 2
19 1 . . . . . . 3.0 . 1 2
20 1 . . . . . . 3.0 . 1 2
21 1 . . . . . . 3.0 . 1 2
22 1 . . . . . . 3.0 . 1 2
23 1 . . . . . . 3.0 . 1 2
24 1 . . . . . . 3.0 . 1 2
25 1 . . . . . . 3.0 . 1 2
26 1 . . . . . . 3.0 . 1 2
27 1 . . . . . . 3.0 . 1 2
28 1 . . . . . . 3.0 . 1 2
29 1 . . . . . . 3.0 . 1 2
30 1 . . . . . . 3.0 . 1 2
31 1 . . . . . . 3.0 . 1 2
32 1 . . . . . . 3.0 . 1 2
33 1 . . . . . . 3.0 . 1 2
34 1 . . . . . . 3.0 . 1 2
35 1 . . . . . . 3.0 . 1 2
36 1 . . . . . . 3.0 . 1 2
37 1 . . . . . . 3.0 . 1 2
38 1 . . . . . . 3.0 . 1 2
39 1 . . . . . . 3.0 . 1 2
40 1 . . . . . . 3.0 . 1 2
41 1 . . . . . . 3.0 . 1 2
42 1 . . . . . . 3.0 . 1 2
43 1 . . . . . . 3.0 . 1 2
44 1 . . . . . . 3.0 . 1 2
45 1 . . . . . . 3.0 . 1 2
46 1 . . . . . . 3.0 . 1 2
47 1 . . . . . . 3.0 . 1 2
48 1 . . . . . . 3.0 . 1 2
49 1 . . . . . . 3.0 . 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "disulfide 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
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 7 CYS CB . 7 CYS CB 1 3
1 1 2 1 1 28 CYS SG . 28 CYS SG 1 3
2 1 1 1 1 7 CYS SG . 7 CYS SG 1 3
2 1 2 1 1 28 CYS CB . 28 CYS CB 1 3
3 1 1 1 1 7 CYS SG . 7 CYS SG 1 3
3 1 2 1 1 28 CYS SG . 28 CYS SG 1 3
4 1 1 1 1 13 CYS CB . 13 CYS CB 1 3
4 1 2 1 1 33 CYS SG . 33 CYS SG 1 3
5 1 1 1 1 13 CYS SG . 13 CYS SG 1 3
5 1 2 1 1 33 CYS CB . 33 CYS CB 1 3
6 1 1 1 1 13 CYS SG . 13 CYS SG 1 3
6 1 2 1 1 33 CYS SG . 33 CYS SG 1 3
7 1 1 1 1 17 CYS CB . 17 CYS CB 1 3
7 1 2 1 1 35 CYS SG . 35 CYS SG 1 3
8 1 1 1 1 17 CYS SG . 17 CYS SG 1 3
8 1 2 1 1 35 CYS CB . 35 CYS CB 1 3
9 1 1 1 1 17 CYS SG . 17 CYS SG 1 3
9 1 2 1 1 35 CYS SG . 35 CYS SG 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 . . . . . . 3.0 3.1 1 3
2 1 . . . . . . 3.0 3.1 1 3
3 1 . . . . . . 2.0 2.1 1 3
4 1 . . . . . . 3.0 3.1 1 3
5 1 . . . . . . 3.0 3.1 1 3
6 1 . . . . . . 2.0 2.1 1 3
7 1 . . . . . . 3.0 3.1 1 3
8 1 . . . . . . 3.0 3.1 1 3
9 1 . . . . . . 2.0 2.1 1 3
stop_
save_
save_DYANA/DIANA_distance_constraints_6_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
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
23 1 . . . 1 4
24 1 . . . 1 4
25 1 . . . 1 4
26 1 . . . 1 4
27 1 . . . 1 4
28 1 . . . 1 4
29 1 . . . 1 4
30 1 . . . 1 4
31 1 . . . 1 4
32 1 . . . 1 4
33 1 . . . 1 4
34 1 . . . 1 4
35 1 . . . 1 4
36 1 . . . 1 4
37 1 . . . 1 4
38 1 . . . 1 4
39 1 . . . 1 4
40 1 . . . 1 4
41 1 . . . 1 4
42 1 . . . 1 4
43 1 . . . 1 4
44 1 . . . 1 4
45 1 . . . 1 4
46 1 . . . 1 4
47 1 . . . 1 4
48 1 . . . 1 4
49 1 . . . 1 4
50 1 . . . 1 4
51 1 . . . 1 4
52 1 . . . 1 4
53 1 . . . 1 4
54 1 . . . 1 4
55 1 . . . 1 4
56 1 . . . 1 4
57 1 . . . 1 4
58 1 . . . 1 4
59 1 . . . 1 4
60 1 . . . 1 4
61 1 . . . 1 4
62 1 . . . 1 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 3 THR N . 3 THR N 1 4
1 1 2 1 1 33 CYS O . 33 CYS O 1 4
2 1 1 1 1 3 THR H . 3 THR HN 1 4
2 1 2 1 1 33 CYS C . 33 CYS C 1 4
3 1 1 1 1 3 THR H . 3 THR HN 1 4
3 1 2 1 1 33 CYS O . 33 CYS O 1 4
4 1 1 1 1 3 THR OG1 . 3 THR OG1 1 4
4 1 2 1 1 5 ILE N . 5 ILE N 1 4
5 1 1 1 1 3 THR OG1 . 3 THR OG1 1 4
5 1 2 1 1 5 ILE H . 5 ILE HN 1 4
6 1 1 1 1 7 CYS N . 7 CYS N 1 4
6 1 2 1 1 31 GLY O . 31 GLY O 1 4
7 1 1 1 1 7 CYS H . 7 CYS HN 1 4
7 1 2 1 1 31 GLY C . 31 GLY C 1 4
8 1 1 1 1 7 CYS H . 7 CYS HN 1 4
8 1 2 1 1 31 GLY O . 31 GLY O 1 4
9 1 1 1 1 8 SER N . 8 SER N 1 4
9 1 2 1 1 12 GLN OE1 . 12 GLN OE1 1 4
10 1 1 1 1 8 SER H . 8 SER HN 1 4
10 1 2 1 1 12 GLN OE1 . 12 GLN OE1 1 4
11 1 1 1 1 9 GLU N . 9 GLU N 1 4
11 1 2 1 1 12 GLN OE1 . 12 GLN OE1 1 4
12 1 1 1 1 9 GLU H . 9 GLU HN 1 4
12 1 2 1 1 12 GLN OE1 . 12 GLN OE1 1 4
13 1 1 1 1 9 GLU O . 9 GLU O 1 4
13 1 2 1 1 12 GLN N . 12 GLN N 1 4
14 1 1 1 1 9 GLU C . 9 GLU C 1 4
14 1 2 1 1 12 GLN H . 12 GLN HN 1 4
15 1 1 1 1 9 GLU O . 9 GLU O 1 4
15 1 2 1 1 12 GLN H . 12 GLN HN 1 4
16 1 1 1 1 10 SER O . 10 SER O 1 4
16 1 2 1 1 13 CYS N . 13 CYS N 1 4
17 1 1 1 1 10 SER C . 10 SER C 1 4
17 1 2 1 1 13 CYS H . 13 CYS HN 1 4
18 1 1 1 1 10 SER O . 10 SER O 1 4
18 1 2 1 1 13 CYS H . 13 CYS HN 1 4
19 1 1 1 1 10 SER O . 10 SER O 1 4
19 1 2 1 1 14 PHE N . 14 PHE N 1 4
20 1 1 1 1 10 SER C . 10 SER C 1 4
20 1 2 1 1 14 PHE H . 14 PHE HN 1 4
21 1 1 1 1 10 SER O . 10 SER O 1 4
21 1 2 1 1 14 PHE H . 14 PHE HN 1 4
22 1 1 1 1 13 CYS O . 13 CYS O 1 4
22 1 2 1 1 17 CYS N . 17 CYS N 1 4
23 1 1 1 1 13 CYS C . 13 CYS C 1 4
23 1 2 1 1 17 CYS H . 17 CYS HN 1 4
24 1 1 1 1 13 CYS O . 13 CYS O 1 4
24 1 2 1 1 17 CYS H . 17 CYS HN 1 4
25 1 1 1 1 14 PHE O . 14 PHE O 1 4
25 1 2 1 1 18 LYS N . 18 LYS N 1 4
26 1 1 1 1 14 PHE C . 14 PHE C 1 4
26 1 2 1 1 18 LYS H . 18 LYS HN 1 4
27 1 1 1 1 14 PHE O . 14 PHE O 1 4
27 1 2 1 1 18 LYS H . 18 LYS HN 1 4
28 1 1 1 1 16 VAL O . 16 VAL O 1 4
28 1 2 1 1 20 ARG N . 20 ARG N 1 4
29 1 1 1 1 16 VAL C . 16 VAL C 1 4
29 1 2 1 1 20 ARG H . 20 ARG HN 1 4
30 1 1 1 1 16 VAL O . 16 VAL O 1 4
30 1 2 1 1 20 ARG H . 20 ARG HN 1 4
31 1 1 1 1 17 CYS O . 17 CYS O 1 4
31 1 2 1 1 21 PHE N . 21 PHE N 1 4
32 1 1 1 1 17 CYS C . 17 CYS C 1 4
32 1 2 1 1 21 PHE H . 21 PHE HN 1 4
33 1 1 1 1 17 CYS O . 17 CYS O 1 4
33 1 2 1 1 21 PHE H . 21 PHE HN 1 4
34 1 1 1 1 17 CYS O . 17 CYS O 1 4
34 1 2 1 1 22 GLY N . 22 GLY N 1 4
35 1 1 1 1 17 CYS C . 17 CYS C 1 4
35 1 2 1 1 22 GLY H . 22 GLY HN 1 4
36 1 1 1 1 17 CYS O . 17 CYS O 1 4
36 1 2 1 1 22 GLY H . 22 GLY HN 1 4
37 1 1 1 1 25 ASN OD1 . 25 ASN OD1 1 4
37 1 2 1 1 26 GLY N . 26 GLY N 1 4
38 1 1 1 1 25 ASN OD1 . 25 ASN OD1 1 4
38 1 2 1 1 26 GLY H . 26 GLY HN 1 4
39 1 1 1 1 25 ASN H . 25 ASN HN 1 4
39 1 2 1 1 36 PHE C . 36 PHE C 1 4
40 1 1 1 1 27 ARG N . 27 ARG N 1 4
40 1 2 1 1 34 ASP O . 34 ASP O 1 4
41 1 1 1 1 27 ARG H . 27 ARG HN 1 4
41 1 2 1 1 34 ASP C . 34 ASP C 1 4
42 1 1 1 1 27 ARG H . 27 ARG HN 1 4
42 1 2 1 1 34 ASP O . 34 ASP O 1 4
43 1 1 1 1 10 SER OG . 10 SER OG 1 4
43 1 2 1 1 28 CYS N . 28 CYS N 1 4
44 1 1 1 1 10 SER OG . 10 SER OG 1 4
44 1 2 1 1 28 CYS H . 28 CYS HN 1 4
45 1 1 1 1 29 VAL N . 29 VAL N 1 4
45 1 2 1 1 32 PHE O . 32 PHE O 1 4
46 1 1 1 1 29 VAL H . 29 VAL HN 1 4
46 1 2 1 1 32 PHE C . 32 PHE C 1 4
47 1 1 1 1 29 VAL H . 29 VAL HN 1 4
47 1 2 1 1 32 PHE O . 32 PHE O 1 4
48 1 1 1 1 29 VAL O . 29 VAL O 1 4
48 1 2 1 1 32 PHE N . 32 PHE N 1 4
49 1 1 1 1 29 VAL C . 29 VAL C 1 4
49 1 2 1 1 32 PHE H . 32 PHE HN 1 4
50 1 1 1 1 29 VAL O . 29 VAL O 1 4
50 1 2 1 1 32 PHE H . 32 PHE HN 1 4
51 1 1 1 1 5 ILE O . 5 ILE O 1 4
51 1 2 1 1 33 CYS N . 33 CYS N 1 4
52 1 1 1 1 5 ILE C . 5 ILE C 1 4
52 1 2 1 1 33 CYS H . 33 CYS HN 1 4
53 1 1 1 1 5 ILE O . 5 ILE O 1 4
53 1 2 1 1 33 CYS H . 33 CYS HN 1 4
54 1 1 1 1 27 ARG O . 27 ARG O 1 4
54 1 2 1 1 34 ASP N . 34 ASP N 1 4
55 1 1 1 1 27 ARG C . 27 ARG C 1 4
55 1 2 1 1 34 ASP H . 34 ASP HN 1 4
56 1 1 1 1 27 ARG O . 27 ARG O 1 4
56 1 2 1 1 34 ASP H . 34 ASP HN 1 4
57 1 1 1 1 1 ARG O . 1 ARG O 1 4
57 1 2 1 1 35 CYS N . 35 CYS N 1 4
58 1 1 1 1 1 ARG C . 1 ARG C 1 4
58 1 2 1 1 35 CYS H . 35 CYS HN 1 4
59 1 1 1 1 1 ARG O . 1 ARG O 1 4
59 1 2 1 1 35 CYS H . 35 CYS HN 1 4
60 1 1 1 1 25 ASN O . 25 ASN O 1 4
60 1 2 1 1 36 PHE N . 36 PHE N 1 4
61 1 1 1 1 25 ASN C . 25 ASN C 1 4
61 1 2 1 1 36 PHE H . 36 PHE HN 1 4
62 1 1 1 1 25 ASN O . 25 ASN O 1 4
62 1 2 1 1 36 PHE H . 36 PHE HN 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 . . . . . . 2.6 3.3 1 4
2 1 . . . . . . 2.6 3.5 1 4
3 1 . . . . . . 1.7 2.2 1 4
4 1 . . . . . . 2.6 3.4 1 4
5 1 . . . . . . 1.8 2.5 1 4
6 1 . . . . . . 2.6 3.3 1 4
7 1 . . . . . . 2.6 3.5 1 4
8 1 . . . . . . 1.7 2.2 1 4
9 1 . . . . . . 2.6 3.4 1 4
10 1 . . . . . . 1.8 2.3 1 4
11 1 . . . . . . 2.6 3.4 1 4
12 1 . . . . . . 1.8 2.3 1 4
13 1 . . . . . . 2.7 3.4 1 4
14 1 . . . . . . 2.6 3.5 1 4
15 1 . . . . . . 1.9 2.4 1 4
16 1 . . . . . . 2.7 3.4 1 4
17 1 . . . . . . 2.6 3.5 1 4
18 1 . . . . . . 1.9 2.4 1 4
19 1 . . . . . . 2.6 3.3 1 4
20 1 . . . . . . 2.6 3.5 1 4
21 1 . . . . . . 1.8 2.3 1 4
22 1 . . . . . . 2.6 3.3 1 4
23 1 . . . . . . 2.6 3.5 1 4
24 1 . . . . . . 1.8 2.3 1 4
25 1 . . . . . . 2.6 3.3 1 4
26 1 . . . . . . 2.6 3.5 1 4
27 1 . . . . . . 1.8 2.3 1 4
28 1 . . . . . . 2.6 3.3 1 4
29 1 . . . . . . 2.6 3.5 1 4
30 1 . . . . . . 1.8 2.3 1 4
31 1 . . . . . . 2.6 3.3 1 4
32 1 . . . . . . 2.6 3.5 1 4
33 1 . . . . . . 1.8 2.3 1 4
34 1 . . . . . . 2.6 3.3 1 4
35 1 . . . . . . 2.6 3.5 1 4
36 1 . . . . . . 1.8 2.3 1 4
37 1 . . . . . . 2.6 3.4 1 4
38 1 . . . . . . 1.7 2.4 1 4
39 1 . . . . . . 2.6 3.5 1 4
40 1 . . . . . . 2.6 3.3 1 4
41 1 . . . . . . 2.6 3.5 1 4
42 1 . . . . . . 1.7 2.2 1 4
43 1 . . . . . . 2.6 3.4 1 4
44 1 . . . . . . 1.8 2.5 1 4
45 1 . . . . . . 2.7 3.4 1 4
46 1 . . . . . . 2.6 3.5 1 4
47 1 . . . . . . 1.9 2.4 1 4
48 1 . . . . . . 2.7 3.4 1 4
49 1 . . . . . . 2.6 3.5 1 4
50 1 . . . . . . 1.9 2.4 1 4
51 1 . . . . . . 2.6 3.3 1 4
52 1 . . . . . . 2.6 3.5 1 4
53 1 . . . . . . 1.7 2.2 1 4
54 1 . . . . . . 2.6 3.3 1 4
55 1 . . . . . . 2.6 3.5 1 4
56 1 . . . . . . 1.7 2.2 1 4
57 1 . . . . . . 2.6 3.3 1 4
58 1 . . . . . . 2.6 3.5 1 4
59 1 . . . . . . 1.7 2.2 1 4
60 1 . . . . . . 2.6 3.3 1 4
61 1 . . . . . . 2.6 3.5 1 4
62 1 . . . . . . 1.7 2.2 1 4
stop_
save_
save_DYANA/DIANA_dihedral_8
_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 CHI1 1 1 1 ARG N 1 1 1 ARG CA 1 1 1 ARG CB 1 1 1 ARG CG 30.0 310.0 . . . . . . . . . . . . . . . . 1 1
2 CHI2 1 1 1 ARG CA 1 1 1 ARG CB 1 1 1 ARG CG 1 1 1 ARG CD 60.0 290.0 . . . . . . . . . . . . . . . . 1 1
3 PSI 1 1 1 ARG N 1 1 1 ARG CA 1 1 1 ARG C 1 1 2 PRO N 100.0 170.0 . . . . . . . . . . . . . . . . 1 1
4 PSI 1 1 2 PRO N 1 1 2 PRO CA 1 1 2 PRO C 1 1 3 THR N 130.0 190.0 . . . . . . . . . . . . . . . . 1 1
5 PHI 1 1 2 PRO C 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR C -145.0 -89.99999 . . . . . . . . . . . . . . . . 1 1
6 CHI1 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR CB 1 1 3 THR OG1 50.0 80.0 . . . . . . . . . . . . . . . . 1 1
7 PSI 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR C 1 1 4 ASP N -179.99998 -140.0 . . . . . . . . . . . . . . . . 1 1
8 PHI 1 1 3 THR C 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP C -140.0 -85.0 . . . . . . . . . . . . . . . . 1 1
9 CHI1 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP CB 1 1 4 ASP CG 65.0 75.0 . . . . . . . . . . . . . . . . 1 1
10 CHI2 1 1 4 ASP CA 1 1 4 ASP CB 1 1 4 ASP CG 1 1 4 ASP OD1 -110.0 150.0 . . . . . . . . . . . . . . . . 1 1
11 PSI 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP C 1 1 5 ILE N -10.0 20.0 . . . . . . . . . . . . . . . . 1 1
12 PHI 1 1 4 ASP C 1 1 5 ILE N 1 1 5 ILE CA 1 1 5 ILE C -95.0 -75.0 . . . . . . . . . . . . . . . . 1 1
13 CHI1 1 1 5 ILE N 1 1 5 ILE CA 1 1 5 ILE CB 1 1 5 ILE CG1 -70.0 -30.0 . . . . . . . . . . . . . . . . 1 1
14 PSI 1 1 5 ILE N 1 1 5 ILE CA 1 1 5 ILE C 1 1 6 LYS N 89.99999 185.0 . . . . . . . . . . . . . . . . 1 1
15 PHI 1 1 5 ILE C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -80.0 -55.0 . . . . . . . . . . . . . . . . 1 1
16 CHI1 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS CB 1 1 6 LYS CG -310.0 -40.0 . . . . . . . . . . . . . . . . 1 1
17 CHI2 1 1 6 LYS CA 1 1 6 LYS CB 1 1 6 LYS CG 1 1 6 LYS CD 70.0 280.0 . . . . . . . . . . . . . . . . 1 1
18 PSI 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C 1 1 7 CYS N 120.0 170.0 . . . . . . . . . . . . . . . . 1 1
19 PHI 1 1 6 LYS C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -165.0 -135.0 . . . . . . . . . . . . . . . . 1 1
20 CHI1 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS CB 1 1 7 CYS SG 35.0 65.0 . . . . . . . . . . . . . . . . 1 1
21 PSI 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C 1 1 8 SER N 120.0 170.0 . . . . . . . . . . . . . . . . 1 1
22 PHI 1 1 7 CYS C 1 1 8 SER N 1 1 8 SER CA 1 1 8 SER C -115.00001 -89.99999 . . . . . . . . . . . . . . . . 1 1
23 CHI1 1 1 8 SER N 1 1 8 SER CA 1 1 8 SER CB 1 1 8 SER OG 44.999996 65.0 . . . . . . . . . . . . . . . . 1 1
24 PSI 1 1 8 SER N 1 1 8 SER CA 1 1 8 SER C 1 1 9 GLU N -40.0 20.0 . . . . . . . . . . . . . . . . 1 1
25 PHI 1 1 8 SER C 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C -174.99998 -150.0 . . . . . . . . . . . . . . . . 1 1
26 CHI1 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG -150.0 -40.0 . . . . . . . . . . . . . . . . 1 1
27 CHI2 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG 1 1 9 GLU CD 50.0 310.0 . . . . . . . . . . . . . . . . 1 1
28 PSI 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C 1 1 10 SER N 130.0 170.0 . . . . . . . . . . . . . . . . 1 1
29 PHI 1 1 9 GLU C 1 1 10 SER N 1 1 10 SER CA 1 1 10 SER C -80.0 -55.0 . . . . . . . . . . . . . . . . 1 1
30 CHI1 1 1 10 SER N 1 1 10 SER CA 1 1 10 SER CB 1 1 10 SER OG -95.0 -50.0 . . . . . . . . . . . . . . . . 1 1
31 CHI2 1 1 10 SER CA 1 1 10 SER CB 1 1 10 SER OG 1 1 10 SER HG 20.0 290.0 . . . . . . . . . . . . . . . . 1 1
32 PSI 1 1 10 SER N 1 1 10 SER CA 1 1 10 SER C 1 1 11 TYR N -60.0 -30.0 . . . . . . . . . . . . . . . . 1 1
33 PHI 1 1 10 SER C 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C -80.0 -50.0 . . . . . . . . . . . . . . . . 1 1
34 CHI1 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR CB 1 1 11 TYR CG 50.0 85.0 . . . . . . . . . . . . . . . . 1 1
35 CHI2 1 1 11 TYR CA 1 1 11 TYR CB 1 1 11 TYR CG 1 1 11 TYR CD1 -115.00001 89.99999 . . . . . . . . . . . . . . . . 1 1
36 PSI 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C 1 1 12 GLN N -50.0 5.0 . . . . . . . . . . . . . . . . 1 1
37 PHI 1 1 11 TYR C 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C -85.0 -50.0 . . . . . . . . . . . . . . . . 1 1
38 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -105.0 -35.0 . . . . . . . . . . . . . . . . 1 1
39 CHI2 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG 1 1 12 GLN CD -220.0 -100.0 . . . . . . . . . . . . . . . . 1 1
40 PSI 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C 1 1 13 CYS N -50.0 -10.0 . . . . . . . . . . . . . . . . 1 1
41 PHI 1 1 12 GLN C 1 1 13 CYS N 1 1 13 CYS CA 1 1 13 CYS C -85.0 -60.0 . . . . . . . . . . . . . . . . 1 1
42 CHI1 1 1 13 CYS N 1 1 13 CYS CA 1 1 13 CYS CB 1 1 13 CYS SG -85.0 -55.0 . . . . . . . . . . . . . . . . 1 1
43 PSI 1 1 13 CYS N 1 1 13 CYS CA 1 1 13 CYS C 1 1 14 PHE N -40.0 15.0 . . . . . . . . . . . . . . . . 1 1
44 PHI 1 1 13 CYS C 1 1 14 PHE N 1 1 14 PHE CA 1 1 14 PHE C -75.0 -44.999996 . . . . . . . . . . . . . . . . 1 1
45 CHI1 1 1 14 PHE N 1 1 14 PHE CA 1 1 14 PHE CB 1 1 14 PHE CG 130.0 200.0 . . . . . . . . . . . . . . . . 1 1
46 CHI2 1 1 14 PHE CA 1 1 14 PHE CB 1 1 14 PHE CG 1 1 14 PHE CD1 40.0 280.0 . . . . . . . . . . . . . . . . 1 1
47 PSI 1 1 14 PHE N 1 1 14 PHE CA 1 1 14 PHE C 1 1 15 PRO N -60.0 -30.0 . . . . . . . . . . . . . . . . 1 1
48 PSI 1 1 15 PRO N 1 1 15 PRO CA 1 1 15 PRO C 1 1 16 VAL N -70.0 -30.0 . . . . . . . . . . . . . . . . 1 1
49 PHI 1 1 15 PRO C 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C -70.0 -50.0 . . . . . . . . . . . . . . . . 1 1
50 CHI1 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL CB 1 1 16 VAL CG1 125.0 170.0 . . . . . . . . . . . . . . . . 1 1
51 PSI 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C 1 1 17 CYS N -80.0 -15.0 . . . . . . . . . . . . . . . . 1 1
52 PHI 1 1 16 VAL C 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C -75.0 -44.999996 . . . . . . . . . . . . . . . . 1 1
53 CHI1 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS CB 1 1 17 CYS SG -95.0 -50.0 . . . . . . . . . . . . . . . . 1 1
54 PSI 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C 1 1 18 LYS N -89.99999 -20.0 . . . . . . . . . . . . . . . . 1 1
55 PHI 1 1 17 CYS C 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS C -70.0 -44.999996 . . . . . . . . . . . . . . . . 1 1
56 CHI1 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS CB 1 1 18 LYS CG -200.0 -140.0 . . . . . . . . . . . . . . . . 1 1
57 CHI2 1 1 18 LYS CA 1 1 18 LYS CB 1 1 18 LYS CG 1 1 18 LYS CD -280.0 -80.0 . . . . . . . . . . . . . . . . 1 1
58 PSI 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS C 1 1 19 SER N -60.0 15.0 . . . . . . . . . . . . . . . . 1 1
59 PHI 1 1 18 LYS C 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C -170.0 -55.0 . . . . . . . . . . . . . . . . 1 1
60 CHI1 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER CB 1 1 19 SER OG -300.0 -50.0 . . . . . . . . . . . . . . . . 1 1
61 PSI 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C 1 1 20 ARG N -89.99999 -20.0 . . . . . . . . . . . . . . . . 1 1
62 PHI 1 1 19 SER C 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG C -85.0 -65.0 . . . . . . . . . . . . . . . . 1 1
63 CHI1 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG CB 1 1 20 ARG CG 75.0 235.00002 . . . . . . . . . . . . . . . . 1 1
64 CHI2 1 1 20 ARG CA 1 1 20 ARG CB 1 1 20 ARG CG 1 1 20 ARG CD 50.0 300.0 . . . . . . . . . . . . . . . . 1 1
65 PSI 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG C 1 1 21 PHE N -89.99999 0.0 . . . . . . . . . . . . . . . . 1 1
66 PHI 1 1 20 ARG C 1 1 21 PHE N 1 1 21 PHE CA 1 1 21 PHE C -140.0 -65.0 . . . . . . . . . . . . . . . . 1 1
67 CHI1 1 1 21 PHE N 1 1 21 PHE CA 1 1 21 PHE CB 1 1 21 PHE CG -85.0 -44.999996 . . . . . . . . . . . . . . . . 1 1
68 PSI 1 1 21 PHE N 1 1 21 PHE CA 1 1 21 PHE C 1 1 22 GLY N -80.0 0.0 . . . . . . . . . . . . . . . . 1 1
69 PHI 1 1 21 PHE C 1 1 22 GLY N 1 1 22 GLY CA 1 1 22 GLY C 70.0 150.0 . . . . . . . . . . . . . . . . 1 1
70 PSI 1 1 22 GLY N 1 1 22 GLY CA 1 1 22 GLY C 1 1 23 LYS N 20.0 80.0 . . . . . . . . . . . . . . . . 1 1
71 PHI 1 1 22 GLY C 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS C -130.0 -75.0 . . . . . . . . . . . . . . . . 1 1
72 CHI1 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS CB 1 1 23 LYS CG -135.0 -60.0 . . . . . . . . . . . . . . . . 1 1
73 CHI2 1 1 23 LYS CA 1 1 23 LYS CB 1 1 23 LYS CG 1 1 23 LYS CD 30.0 260.0 . . . . . . . . . . . . . . . . 1 1
74 PSI 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS C 1 1 24 THR N 150.0 200.0 . . . . . . . . . . . . . . . . 1 1
75 PHI 1 1 23 LYS C 1 1 24 THR N 1 1 24 THR CA 1 1 24 THR C -105.0 -75.0 . . . . . . . . . . . . . . . . 1 1
76 CHI1 1 1 24 THR N 1 1 24 THR CA 1 1 24 THR CB 1 1 24 THR OG1 15.0 105.0 . . . . . . . . . . . . . . . . 1 1
77 PSI 1 1 24 THR N 1 1 24 THR CA 1 1 24 THR C 1 1 25 ASN N -70.0 0.0 . . . . . . . . . . . . . . . . 1 1
78 PHI 1 1 24 THR C 1 1 25 ASN N 1 1 25 ASN CA 1 1 25 ASN C -165.0 -135.0 . . . . . . . . . . . . . . . . 1 1
79 CHI1 1 1 25 ASN N 1 1 25 ASN CA 1 1 25 ASN CB 1 1 25 ASN CG -190.0 -140.0 . . . . . . . . . . . . . . . . 1 1
80 CHI2 1 1 25 ASN CA 1 1 25 ASN CB 1 1 25 ASN CG 1 1 25 ASN OD1 -120.0 70.0 . . . . . . . . . . . . . . . . 1 1
81 PSI 1 1 25 ASN N 1 1 25 ASN CA 1 1 25 ASN C 1 1 26 GLY N 140.0 190.0 . . . . . . . . . . . . . . . . 1 1
82 PHI 1 1 25 ASN C 1 1 26 GLY N 1 1 26 GLY CA 1 1 26 GLY C -179.99998 -130.0 . . . . . . . . . . . . . . . . 1 1
83 PSI 1 1 26 GLY N 1 1 26 GLY CA 1 1 26 GLY C 1 1 27 ARG N 140.0 190.0 . . . . . . . . . . . . . . . . 1 1
84 PHI 1 1 26 GLY C 1 1 27 ARG N 1 1 27 ARG CA 1 1 27 ARG C -165.0 -130.0 . . . . . . . . . . . . . . . . 1 1
85 CHI1 1 1 27 ARG N 1 1 27 ARG CA 1 1 27 ARG CB 1 1 27 ARG CG 40.0 310.0 . . . . . . . . . . . . . . . . 1 1
86 CHI2 1 1 27 ARG CA 1 1 27 ARG CB 1 1 27 ARG CG 1 1 27 ARG CD -290.0 -60.0 . . . . . . . . . . . . . . . . 1 1
87 PSI 1 1 27 ARG N 1 1 27 ARG CA 1 1 27 ARG C 1 1 28 CYS N 100.0 170.0 . . . . . . . . . . . . . . . . 1 1
88 PHI 1 1 27 ARG C 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C -105.0 -75.0 . . . . . . . . . . . . . . . . 1 1
89 CHI1 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS CB 1 1 28 CYS SG -185.0 -145.0 . . . . . . . . . . . . . . . . 1 1
90 PSI 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C 1 1 29 VAL N 80.0 130.0 . . . . . . . . . . . . . . . . 1 1
91 PHI 1 1 28 CYS C 1 1 29 VAL N 1 1 29 VAL CA 1 1 29 VAL C -145.0 -95.0 . . . . . . . . . . . . . . . . 1 1
92 CHI1 1 1 29 VAL N 1 1 29 VAL CA 1 1 29 VAL CB 1 1 29 VAL CG1 -200.0 -150.0 . . . . . . . . . . . . . . . . 1 1
93 PSI 1 1 29 VAL N 1 1 29 VAL CA 1 1 29 VAL C 1 1 30 ASN N 110.0 150.0 . . . . . . . . . . . . . . . . 1 1
94 PHI 1 1 29 VAL C 1 1 30 ASN N 1 1 30 ASN CA 1 1 30 ASN C 50.0 80.0 . . . . . . . . . . . . . . . . 1 1
95 CHI1 1 1 30 ASN N 1 1 30 ASN CA 1 1 30 ASN CB 1 1 30 ASN CG -105.0 -30.0 . . . . . . . . . . . . . . . . 1 1
96 CHI2 1 1 30 ASN CA 1 1 30 ASN CB 1 1 30 ASN CG 1 1 30 ASN OD1 -120.0 150.0 . . . . . . . . . . . . . . . . 1 1
97 PSI 1 1 30 ASN N 1 1 30 ASN CA 1 1 30 ASN C 1 1 31 GLY N 10.0 50.0 . . . . . . . . . . . . . . . . 1 1
98 PHI 1 1 30 ASN C 1 1 31 GLY N 1 1 31 GLY CA 1 1 31 GLY C 40.0 100.0 . . . . . . . . . . . . . . . . 1 1
99 PSI 1 1 31 GLY N 1 1 31 GLY CA 1 1 31 GLY C 1 1 32 PHE N -10.0 30.0 . . . . . . . . . . . . . . . . 1 1
100 PHI 1 1 31 GLY C 1 1 32 PHE N 1 1 32 PHE CA 1 1 32 PHE C -140.0 -95.0 . . . . . . . . . . . . . . . . 1 1
101 CHI1 1 1 32 PHE N 1 1 32 PHE CA 1 1 32 PHE CB 1 1 32 PHE CG -85.0 -50.0 . . . . . . . . . . . . . . . . 1 1
102 PSI 1 1 32 PHE N 1 1 32 PHE CA 1 1 32 PHE C 1 1 33 CYS N 135.0 179.99998 . . . . . . . . . . . . . . . . 1 1
103 PHI 1 1 32 PHE C 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C -75.0 -50.0 . . . . . . . . . . . . . . . . 1 1
104 CHI1 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS CB 1 1 33 CYS SG -85.0 -50.0 . . . . . . . . . . . . . . . . 1 1
105 PSI 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C 1 1 34 ASP N 110.0 150.0 . . . . . . . . . . . . . . . . 1 1
106 PHI 1 1 33 CYS C 1 1 34 ASP N 1 1 34 ASP CA 1 1 34 ASP C -145.0 -125.0 . . . . . . . . . . . . . . . . 1 1
107 CHI1 1 1 34 ASP N 1 1 34 ASP CA 1 1 34 ASP CB 1 1 34 ASP CG -190.0 -170.0 . . . . . . . . . . . . . . . . 1 1
108 PSI 1 1 34 ASP N 1 1 34 ASP CA 1 1 34 ASP C 1 1 35 CYS N 70.0 160.0 . . . . . . . . . . . . . . . . 1 1
109 PHI 1 1 34 ASP C 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS C -145.0 -95.0 . . . . . . . . . . . . . . . . 1 1
110 CHI1 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS CB 1 1 35 CYS SG -85.0 -44.999996 . . . . . . . . . . . . . . . . 1 1
111 PSI 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS C 1 1 36 PHE N 120.0 179.99998 . . . . . . . . . . . . . . . . 1 1
112 PHI 1 1 35 CYS C 1 1 36 PHE N 1 1 36 PHE CA 1 1 36 PHE C -165.0 -130.0 . . . . . . . . . . . . . . . . 1 1
113 CHI1 1 1 36 PHE N 1 1 36 PHE CA 1 1 36 PHE CB 1 1 36 PHE CG 44.999996 65.0 . . . . . . . . . . . . . . . . 1 1
114 CHI2 1 1 36 PHE CA 1 1 36 PHE CB 1 1 36 PHE CG 1 1 36 PHE CD1 60.0 290.0 . . . . . . . . . . . . . . . . 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 ARG C C -6.478 3.437 -3.580 1.00 . A A . 1 ARG C 1 1
1 2 1 1 1 ARG CA C -7.197 4.775 -3.391 1.00 . A A . 1 ARG CA 1 1
1 3 1 1 1 ARG CB C -6.878 5.688 -4.576 1.00 . A A . 1 ARG CB 1 1
1 4 1 1 1 ARG CD C -7.523 7.792 -5.808 1.00 . A A . 1 ARG CD 1 1
1 5 1 1 1 ARG CG C -7.783 6.922 -4.577 1.00 . A A . 1 ARG CG 1 1
1 6 1 1 1 ARG CZ C -8.423 9.923 -6.736 1.00 . A A . 1 ARG CZ 1 1
1 7 1 1 1 ARG H1 H -5.931 5.896 -2.268 1.00 . A A . 1 ARG H1 1 1
1 8 1 1 1 ARG H2 H -7.522 6.030 -1.829 1.00 . A A . 1 ARG H2 1 1
1 9 1 1 1 ARG H3 H -6.666 4.668 -1.435 1.00 . A A . 1 ARG H3 1 1
1 10 1 1 1 ARG HA H -8.274 4.632 -3.302 1.00 . A A . 1 ARG HA 1 1
1 11 1 1 1 ARG HB2 H -5.834 5.998 -4.531 1.00 . A A . 1 ARG HB2 1 1
1 12 1 1 1 ARG HB3 H -7.007 5.139 -5.509 1.00 . A A . 1 ARG HB3 1 1
1 13 1 1 1 ARG HD2 H -6.481 8.113 -5.823 1.00 . A A . 1 ARG HD2 1 1
1 14 1 1 1 ARG HD3 H -7.690 7.213 -6.716 1.00 . A A . 1 ARG HD3 1 1
1 15 1 1 1 ARG HE H -9.052 9.068 -5.025 1.00 . A A . 1 ARG HE 1 1
1 16 1 1 1 ARG HG2 H -8.828 6.611 -4.561 1.00 . A A . 1 ARG HG2 1 1
1 17 1 1 1 ARG HG3 H -7.610 7.505 -3.672 1.00 . A A . 1 ARG HG3 1 1
1 18 1 1 1 ARG HH11 H -6.959 9.061 -7.854 1.00 . A A . 1 ARG HH11 1 1
1 19 1 1 1 ARG HH12 H -7.594 10.544 -8.486 1.00 . A A . 1 ARG HH12 1 1
1 20 1 1 1 ARG HH21 H -9.890 11.024 -5.858 1.00 . A A . 1 ARG HH21 1 1
1 21 1 1 1 ARG HH22 H -9.272 11.668 -7.343 1.00 . A A . 1 ARG HH22 1 1
1 22 1 1 1 ARG N N -6.799 5.389 -2.136 1.00 . A A . 1 ARG N 1 1
1 23 1 1 1 ARG NE N -8.415 8.973 -5.791 1.00 . A A . 1 ARG NE 1 1
1 24 1 1 1 ARG NH1 N -7.589 9.835 -7.781 1.00 . A A . 1 ARG NH1 1 1
1 25 1 1 1 ARG NH2 N -9.267 10.959 -6.637 1.00 . A A . 1 ARG NH2 1 1
1 26 1 1 1 ARG O O -5.411 3.216 -3.010 1.00 . A A . 1 ARG O 1 1
1 27 1 1 2 PRO C C -5.425 1.730 -5.991 1.00 . A A . 2 PRO C 1 1
1 28 1 1 2 PRO CA C -6.428 1.371 -4.893 1.00 . A A . 2 PRO CA 1 1
1 29 1 1 2 PRO CB C -7.538 0.452 -5.379 1.00 . A A . 2 PRO CB 1 1
1 30 1 1 2 PRO CD C -8.484 2.666 -4.884 1.00 . A A . 2 PRO CD 1 1
1 31 1 1 2 PRO CG C -8.758 1.338 -5.573 1.00 . A A . 2 PRO CG 1 1
1 32 1 1 2 PRO HA H -5.893 0.950 -4.161 1.00 . A A . 2 PRO HA 1 1
1 33 1 1 2 PRO HB2 H -7.258 -0.037 -6.312 1.00 . A A . 2 PRO HB2 1 1
1 34 1 1 2 PRO HB3 H -7.738 -0.336 -4.654 1.00 . A A . 2 PRO HB3 1 1
1 35 1 1 2 PRO HD2 H -8.595 3.501 -5.575 1.00 . A A . 2 PRO HD2 1 1
1 36 1 1 2 PRO HD3 H -9.179 2.836 -4.063 1.00 . A A . 2 PRO HD3 1 1
1 37 1 1 2 PRO HG2 H -8.953 1.492 -6.633 1.00 . A A . 2 PRO HG2 1 1
1 38 1 1 2 PRO HG3 H -9.643 0.865 -5.151 1.00 . A A . 2 PRO HG3 1 1
1 39 1 1 2 PRO N N -7.109 2.557 -4.402 1.00 . A A . 2 PRO N 1 1
1 40 1 1 2 PRO O O -5.588 2.735 -6.682 1.00 . A A . 2 PRO O 1 1
1 41 1 1 3 THR C C -3.161 -0.201 -7.921 1.00 . A A . 3 THR C 1 1
1 42 1 1 3 THR CA C -3.393 1.092 -7.137 1.00 . A A . 3 THR CA 1 1
1 43 1 1 3 THR CB C -2.133 1.621 -6.450 1.00 . A A . 3 THR CB 1 1
1 44 1 1 3 THR CG2 C -2.450 2.559 -5.284 1.00 . A A . 3 THR CG2 1 1
1 45 1 1 3 THR H H -4.273 0.084 -5.540 1.00 . A A . 3 THR H 1 1
1 46 1 1 3 THR HA H -3.761 1.834 -7.845 1.00 . A A . 3 THR HA 1 1
1 47 1 1 3 THR HB H -1.471 2.104 -7.170 1.00 . A A . 3 THR HB 1 1
1 48 1 1 3 THR HG1 H -2.219 0.081 -5.175 1.00 . A A . 3 THR HG1 1 1
1 49 1 1 3 THR HG21 H -1.524 2.979 -4.892 1.00 . A A . 3 THR HG21 1 1
1 50 1 1 3 THR HG22 H -3.096 3.366 -5.633 1.00 . A A . 3 THR HG22 1 1
1 51 1 1 3 THR HG23 H -2.959 2.001 -4.497 1.00 . A A . 3 THR HG23 1 1
1 52 1 1 3 THR N N -4.409 0.890 -6.118 1.00 . A A . 3 THR N 1 1
1 53 1 1 3 THR O O -3.995 -1.105 -7.898 1.00 . A A . 3 THR O 1 1
1 54 1 1 3 THR OG1 O -1.569 0.470 -5.826 1.00 . A A . 3 THR OG1 1 1
1 55 1 1 4 ASP C C -0.304 -1.955 -8.831 1.00 . A A . 4 ASP C 1 1
1 56 1 1 4 ASP CA C -1.646 -1.435 -9.348 1.00 . A A . 4 ASP CA 1 1
1 57 1 1 4 ASP CB C -1.490 -1.119 -10.837 1.00 . A A . 4 ASP CB 1 1
1 58 1 1 4 ASP CG C -0.355 -0.151 -11.176 1.00 . A A . 4 ASP CG 1 1
1 59 1 1 4 ASP H H -1.365 0.504 -8.640 1.00 . A A . 4 ASP H 1 1
1 60 1 1 4 ASP HA H -2.458 -2.144 -9.188 1.00 . A A . 4 ASP HA 1 1
1 61 1 1 4 ASP HB2 H -1.323 -2.051 -11.375 1.00 . A A . 4 ASP HB2 1 1
1 62 1 1 4 ASP HB3 H -2.426 -0.701 -11.205 1.00 . A A . 4 ASP HB3 1 1
1 63 1 1 4 ASP HD2 H -0.677 -0.643 -12.965 1.00 . A A . 4 ASP HD2 1 1
1 64 1 1 4 ASP N N -2.022 -0.248 -8.598 1.00 . A A . 4 ASP N 1 1
1 65 1 1 4 ASP O O 0.349 -2.763 -9.490 1.00 . A A . 4 ASP O 1 1
1 66 1 1 4 ASP OD1 O 0.192 0.527 -10.293 1.00 . A A . 4 ASP OD1 1 1
1 67 1 1 4 ASP OD2 O -0.030 -0.106 -12.424 1.00 . A A . 4 ASP OD2 1 1
1 68 1 1 5 ILE C C 1.145 -3.276 -6.428 1.00 . A A . 5 ILE C 1 1
1 69 1 1 5 ILE CA C 1.318 -1.884 -7.038 1.00 . A A . 5 ILE CA 1 1
1 70 1 1 5 ILE CB C 1.796 -0.830 -6.037 1.00 . A A . 5 ILE CB 1 1
1 71 1 1 5 ILE CD1 C 2.014 1.661 -5.705 1.00 . A A . 5 ILE CD1 1 1
1 72 1 1 5 ILE CG1 C 2.014 0.520 -6.724 1.00 . A A . 5 ILE CG1 1 1
1 73 1 1 5 ILE CG2 C 3.046 -1.304 -5.295 1.00 . A A . 5 ILE CG2 1 1
1 74 1 1 5 ILE H H -0.465 -0.809 -7.128 1.00 . A A . 5 ILE H 1 1
1 75 1 1 5 ILE HA H 2.069 -1.942 -7.826 1.00 . A A . 5 ILE HA 1 1
1 76 1 1 5 ILE HB H 1.013 -0.687 -5.291 1.00 . A A . 5 ILE HB 1 1
1 77 1 1 5 ILE HD11 H 2.004 2.617 -6.230 1.00 . A A . 5 ILE HD11 1 1
1 78 1 1 5 ILE HD12 H 1.128 1.584 -5.073 1.00 . A A . 5 ILE HD12 1 1
1 79 1 1 5 ILE HD13 H 2.909 1.595 -5.086 1.00 . A A . 5 ILE HD13 1 1
1 80 1 1 5 ILE HG12 H 2.962 0.508 -7.262 1.00 . A A . 5 ILE HG12 1 1
1 81 1 1 5 ILE HG13 H 1.230 0.687 -7.463 1.00 . A A . 5 ILE HG13 1 1
1 82 1 1 5 ILE HG21 H 3.361 -0.539 -4.586 1.00 . A A . 5 ILE HG21 1 1
1 83 1 1 5 ILE HG22 H 2.822 -2.226 -4.757 1.00 . A A . 5 ILE HG22 1 1
1 84 1 1 5 ILE HG23 H 3.846 -1.488 -6.012 1.00 . A A . 5 ILE HG23 1 1
1 85 1 1 5 ILE N N 0.069 -1.471 -7.655 1.00 . A A . 5 ILE N 1 1
1 86 1 1 5 ILE O O 0.431 -3.441 -5.440 1.00 . A A . 5 ILE O 1 1
1 87 1 1 6 LYS C C 2.209 -5.931 -5.336 1.00 . A A . 6 LYS C 1 1
1 88 1 1 6 LYS CA C 1.587 -5.639 -6.703 1.00 . A A . 6 LYS CA 1 1
1 89 1 1 6 LYS CB C 2.098 -6.550 -7.820 1.00 . A A . 6 LYS CB 1 1
1 90 1 1 6 LYS CD C 2.034 -8.879 -8.785 1.00 . A A . 6 LYS CD 1 1
1 91 1 1 6 LYS CE C 1.573 -10.322 -8.570 1.00 . A A . 6 LYS CE 1 1
1 92 1 1 6 LYS CG C 1.639 -7.993 -7.602 1.00 . A A . 6 LYS CG 1 1
1 93 1 1 6 LYS H H 2.489 -4.086 -7.761 1.00 . A A . 6 LYS H 1 1
1 94 1 1 6 LYS HA H 0.509 -5.789 -6.631 1.00 . A A . 6 LYS HA 1 1
1 95 1 1 6 LYS HB2 H 1.737 -6.191 -8.783 1.00 . A A . 6 LYS HB2 1 1
1 96 1 1 6 LYS HB3 H 3.187 -6.513 -7.854 1.00 . A A . 6 LYS HB3 1 1
1 97 1 1 6 LYS HD2 H 1.594 -8.485 -9.701 1.00 . A A . 6 LYS HD2 1 1
1 98 1 1 6 LYS HD3 H 3.116 -8.856 -8.916 1.00 . A A . 6 LYS HD3 1 1
1 99 1 1 6 LYS HE2 H 2.013 -10.718 -7.655 1.00 . A A . 6 LYS HE2 1 1
1 100 1 1 6 LYS HE3 H 0.490 -10.346 -8.439 1.00 . A A . 6 LYS HE3 1 1
1 101 1 1 6 LYS HG2 H 2.081 -8.385 -6.686 1.00 . A A . 6 LYS HG2 1 1
1 102 1 1 6 LYS HG3 H 0.557 -8.018 -7.470 1.00 . A A . 6 LYS HG3 1 1
1 103 1 1 6 LYS HZ1 H 2.953 -11.157 -9.823 1.00 . A A . 6 LYS HZ1 1 1
1 104 1 1 6 LYS HZ2 H 1.650 -12.106 -9.564 1.00 . A A . 6 LYS HZ2 1 1
1 105 1 1 6 LYS HZ3 H 1.535 -10.811 -10.554 1.00 . A A . 6 LYS HZ3 1 1
1 106 1 1 6 LYS N N 1.810 -4.243 -7.043 1.00 . A A . 6 LYS N 1 1
1 107 1 1 6 LYS NZ N 1.958 -11.168 -9.721 1.00 . A A . 6 LYS NZ 1 1
1 108 1 1 6 LYS O O 3.260 -5.389 -4.999 1.00 . A A . 6 LYS O 1 1
1 109 1 1 7 CYS C C 1.404 -8.497 -2.879 1.00 . A A . 7 CYS C 1 1
1 110 1 1 7 CYS CA C 1.986 -7.130 -3.247 1.00 . A A . 7 CYS CA 1 1
1 111 1 1 7 CYS CB C 1.606 -6.055 -2.228 1.00 . A A . 7 CYS CB 1 1
1 112 1 1 7 CYS H H 0.691 -7.242 -4.875 1.00 . A A . 7 CYS H 1 1
1 113 1 1 7 CYS HA H 3.074 -7.171 -3.287 1.00 . A A . 7 CYS HA 1 1
1 114 1 1 7 CYS HB2 H 1.814 -6.433 -1.227 1.00 . A A . 7 CYS HB2 1 1
1 115 1 1 7 CYS HB3 H 2.248 -5.187 -2.380 1.00 . A A . 7 CYS HB3 1 1
1 116 1 1 7 CYS N N 1.532 -6.787 -4.585 1.00 . A A . 7 CYS N 1 1
1 117 1 1 7 CYS O O 0.367 -8.896 -3.404 1.00 . A A . 7 CYS O 1 1
1 118 1 1 7 CYS SG S -0.140 -5.513 -2.299 1.00 . A A . 7 CYS SG 1 1
1 119 1 1 8 SER C C 0.940 -10.108 -0.039 1.00 . A A . 8 SER C 1 1
1 120 1 1 8 SER CA C 1.576 -10.402 -1.399 1.00 . A A . 8 SER CA 1 1
1 121 1 1 8 SER CB C 2.677 -11.456 -1.253 1.00 . A A . 8 SER CB 1 1
1 122 1 1 8 SER H H 3.002 -8.902 -1.646 1.00 . A A . 8 SER H 1 1
1 123 1 1 8 SER HA H 0.826 -10.757 -2.104 1.00 . A A . 8 SER HA 1 1
1 124 1 1 8 SER HB2 H 2.236 -12.397 -0.927 1.00 . A A . 8 SER HB2 1 1
1 125 1 1 8 SER HB3 H 3.135 -11.637 -2.225 1.00 . A A . 8 SER HB3 1 1
1 126 1 1 8 SER HG H 4.100 -11.860 0.095 1.00 . A A . 8 SER HG 1 1
1 127 1 1 8 SER N N 2.100 -9.177 -1.979 1.00 . A A . 8 SER N 1 1
1 128 1 1 8 SER O O 0.031 -10.816 0.390 1.00 . A A . 8 SER O 1 1
1 129 1 1 8 SER OG O 3.680 -11.055 -0.323 1.00 . A A . 8 SER OG 1 1
1 130 1 1 9 GLU C C 1.169 -7.349 2.328 1.00 . A A . 9 GLU C 1 1
1 131 1 1 9 GLU CA C 1.172 -8.846 2.011 1.00 . A A . 9 GLU CA 1 1
1 132 1 1 9 GLU CB C 2.185 -9.590 2.885 1.00 . A A . 9 GLU CB 1 1
1 133 1 1 9 GLU CD C 2.808 -11.819 3.883 1.00 . A A . 9 GLU CD 1 1
1 134 1 1 9 GLU CG C 1.922 -11.097 2.867 1.00 . A A . 9 GLU CG 1 1
1 135 1 1 9 GLU H H 2.025 -8.371 0.172 1.00 . A A . 9 GLU H 1 1
1 136 1 1 9 GLU HA H 0.179 -9.262 2.182 1.00 . A A . 9 GLU HA 1 1
1 137 1 1 9 GLU HB2 H 3.194 -9.389 2.528 1.00 . A A . 9 GLU HB2 1 1
1 138 1 1 9 GLU HB3 H 2.129 -9.219 3.908 1.00 . A A . 9 GLU HB3 1 1
1 139 1 1 9 GLU HE2 H 1.589 -11.170 5.163 1.00 . A A . 9 GLU HE2 1 1
1 140 1 1 9 GLU HG2 H 0.872 -11.289 3.091 1.00 . A A . 9 GLU HG2 1 1
1 141 1 1 9 GLU HG3 H 2.112 -11.491 1.868 1.00 . A A . 9 GLU HG3 1 1
1 142 1 1 9 GLU N N 1.443 -9.062 0.600 1.00 . A A . 9 GLU N 1 1
1 143 1 1 9 GLU O O 1.684 -6.546 1.552 1.00 . A A . 9 GLU O 1 1
1 144 1 1 9 GLU OE1 O 3.807 -12.445 3.501 1.00 . A A . 9 GLU OE1 1 1
1 145 1 1 9 GLU OE2 O 2.425 -11.715 5.111 1.00 . A A . 9 GLU OE2 1 1
1 146 1 1 10 SER C C 1.360 -4.810 4.167 1.00 . A A . 10 SER C 1 1
1 147 1 1 10 SER CA C 0.162 -5.653 3.728 1.00 . A A . 10 SER CA 1 1
1 148 1 1 10 SER CB C -0.938 -5.607 4.790 1.00 . A A . 10 SER CB 1 1
1 149 1 1 10 SER H H 0.396 -7.666 4.210 1.00 . A A . 10 SER H 1 1
1 150 1 1 10 SER HA H -0.235 -5.290 2.779 1.00 . A A . 10 SER HA 1 1
1 151 1 1 10 SER HB2 H -0.579 -6.081 5.704 1.00 . A A . 10 SER HB2 1 1
1 152 1 1 10 SER HB3 H -1.160 -4.569 5.037 1.00 . A A . 10 SER HB3 1 1
1 153 1 1 10 SER HG H -1.936 -7.213 4.133 1.00 . A A . 10 SER HG 1 1
1 154 1 1 10 SER N N 0.583 -7.019 3.469 1.00 . A A . 10 SER N 1 1
1 155 1 1 10 SER O O 1.420 -3.615 3.882 1.00 . A A . 10 SER O 1 1
1 156 1 1 10 SER OG O -2.129 -6.257 4.355 1.00 . A A . 10 SER OG 1 1
1 157 1 1 11 TYR C C 4.387 -4.322 4.293 1.00 . A A . 11 TYR C 1 1
1 158 1 1 11 TYR CA C 3.439 -4.774 5.404 1.00 . A A . 11 TYR CA 1 1
1 159 1 1 11 TYR CB C 4.158 -5.794 6.289 1.00 . A A . 11 TYR CB 1 1
1 160 1 1 11 TYR CD1 C 6.273 -6.482 5.101 1.00 . A A . 11 TYR CD1 1 1
1 161 1 1 11 TYR CD2 C 4.478 -8.055 5.221 1.00 . A A . 11 TYR CD2 1 1
1 162 1 1 11 TYR CE1 C 7.063 -7.437 4.370 1.00 . A A . 11 TYR CE1 1 1
1 163 1 1 11 TYR CE2 C 5.269 -9.012 4.489 1.00 . A A . 11 TYR CE2 1 1
1 164 1 1 11 TYR CG C 4.997 -6.810 5.511 1.00 . A A . 11 TYR CG 1 1
1 165 1 1 11 TYR CZ C 6.522 -8.655 4.100 1.00 . A A . 11 TYR CZ 1 1
1 166 1 1 11 TYR H H 2.255 -6.448 5.034 1.00 . A A . 11 TYR H 1 1
1 167 1 1 11 TYR HA H 3.079 -3.899 5.944 1.00 . A A . 11 TYR HA 1 1
1 168 1 1 11 TYR HB2 H 4.804 -5.262 6.987 1.00 . A A . 11 TYR HB2 1 1
1 169 1 1 11 TYR HB3 H 3.419 -6.329 6.884 1.00 . A A . 11 TYR HB3 1 1
1 170 1 1 11 TYR HD1 H 6.683 -5.497 5.330 1.00 . A A . 11 TYR HD1 1 1
1 171 1 1 11 TYR HD2 H 3.471 -8.315 5.545 1.00 . A A . 11 TYR HD2 1 1
1 172 1 1 11 TYR HE1 H 8.072 -7.190 4.039 1.00 . A A . 11 TYR HE1 1 1
1 173 1 1 11 TYR HE2 H 4.871 -9.999 4.252 1.00 . A A . 11 TYR HE2 1 1
1 174 1 1 11 TYR HH H 8.160 -9.164 3.183 1.00 . A A . 11 TYR HH 1 1
1 175 1 1 11 TYR N N 2.285 -5.465 4.853 1.00 . A A . 11 TYR N 1 1
1 176 1 1 11 TYR O O 5.293 -3.524 4.532 1.00 . A A . 11 TYR O 1 1
1 177 1 1 11 TYR OH O 7.268 -9.558 3.408 1.00 . A A . 11 TYR OH 1 1
1 178 1 1 12 GLN C C 4.398 -3.033 1.479 1.00 . A A . 12 GLN C 1 1
1 179 1 1 12 GLN CA C 4.884 -4.412 1.927 1.00 . A A . 12 GLN CA 1 1
1 180 1 1 12 GLN CB C 4.763 -5.432 0.793 1.00 . A A . 12 GLN CB 1 1
1 181 1 1 12 GLN CD C 4.857 -7.901 0.287 1.00 . A A . 12 GLN CD 1 1
1 182 1 1 12 GLN CG C 5.357 -6.781 1.203 1.00 . A A . 12 GLN CG 1 1
1 183 1 1 12 GLN H H 3.469 -5.563 2.933 1.00 . A A . 12 GLN H 1 1
1 184 1 1 12 GLN HA H 5.926 -4.353 2.244 1.00 . A A . 12 GLN HA 1 1
1 185 1 1 12 GLN HB2 H 3.715 -5.558 0.524 1.00 . A A . 12 GLN HB2 1 1
1 186 1 1 12 GLN HB3 H 5.277 -5.058 -0.093 1.00 . A A . 12 GLN HB3 1 1
1 187 1 1 12 GLN HE21 H 5.944 -9.215 1.376 1.00 . A A . 12 GLN HE21 1 1
1 188 1 1 12 GLN HE22 H 4.992 -9.913 0.108 1.00 . A A . 12 GLN HE22 1 1
1 189 1 1 12 GLN HG2 H 6.444 -6.731 1.162 1.00 . A A . 12 GLN HG2 1 1
1 190 1 1 12 GLN HG3 H 5.086 -7.003 2.235 1.00 . A A . 12 GLN HG3 1 1
1 191 1 1 12 GLN N N 4.148 -4.850 3.102 1.00 . A A . 12 GLN N 1 1
1 192 1 1 12 GLN NE2 N 5.301 -9.109 0.618 1.00 . A A . 12 GLN NE2 1 1
1 193 1 1 12 GLN O O 5.180 -2.225 0.983 1.00 . A A . 12 GLN O 1 1
1 194 1 1 12 GLN OE1 O 4.117 -7.681 -0.659 1.00 . A A . 12 GLN OE1 1 1
1 195 1 1 13 CYS C C 2.650 -0.456 2.015 1.00 . A A . 13 CYS C 1 1
1 196 1 1 13 CYS CA C 2.454 -1.650 1.079 1.00 . A A . 13 CYS CA 1 1
1 197 1 1 13 CYS CB C 0.974 -1.918 0.798 1.00 . A A . 13 CYS CB 1 1
1 198 1 1 13 CYS H H 2.510 -3.393 2.218 1.00 . A A . 13 CYS H 1 1
1 199 1 1 13 CYS HA H 2.940 -1.473 0.119 1.00 . A A . 13 CYS HA 1 1
1 200 1 1 13 CYS HB2 H 0.475 -2.145 1.740 1.00 . A A . 13 CYS HB2 1 1
1 201 1 1 13 CYS HB3 H 0.521 -1.005 0.409 1.00 . A A . 13 CYS HB3 1 1
1 202 1 1 13 CYS N N 3.106 -2.806 1.671 1.00 . A A . 13 CYS N 1 1
1 203 1 1 13 CYS O O 2.890 0.661 1.561 1.00 . A A . 13 CYS O 1 1
1 204 1 1 13 CYS SG S 0.651 -3.280 -0.380 1.00 . A A . 13 CYS SG 1 1
1 205 1 1 14 PHE C C 3.412 1.374 4.226 1.00 . A A . 14 PHE C 1 1
1 206 1 1 14 PHE CA C 2.304 0.320 4.280 1.00 . A A . 14 PHE CA 1 1
1 207 1 1 14 PHE CB C 2.311 -0.338 5.661 1.00 . A A . 14 PHE CB 1 1
1 208 1 1 14 PHE CD1 C 2.626 1.730 7.037 1.00 . A A . 14 PHE CD1 1 1
1 209 1 1 14 PHE CD2 C 4.109 -0.068 7.384 1.00 . A A . 14 PHE CD2 1 1
1 210 1 1 14 PHE CE1 C 3.306 2.481 8.032 1.00 . A A . 14 PHE CE1 1 1
1 211 1 1 14 PHE CE2 C 4.788 0.683 8.379 1.00 . A A . 14 PHE CE2 1 1
1 212 1 1 14 PHE CG C 3.042 0.471 6.734 1.00 . A A . 14 PHE CG 1 1
1 213 1 1 14 PHE CZ C 4.372 1.942 8.682 1.00 . A A . 14 PHE CZ 1 1
1 214 1 1 14 PHE H H 2.608 -1.654 3.688 1.00 . A A . 14 PHE H 1 1
1 215 1 1 14 PHE HA H 1.350 0.784 4.031 1.00 . A A . 14 PHE HA 1 1
1 216 1 1 14 PHE HB2 H 1.281 -0.499 5.981 1.00 . A A . 14 PHE HB2 1 1
1 217 1 1 14 PHE HB3 H 2.777 -1.321 5.582 1.00 . A A . 14 PHE HB3 1 1
1 218 1 1 14 PHE HD1 H 1.772 2.162 6.516 1.00 . A A . 14 PHE HD1 1 1
1 219 1 1 14 PHE HD2 H 4.442 -1.077 7.140 1.00 . A A . 14 PHE HD2 1 1
1 220 1 1 14 PHE HE1 H 2.972 3.490 8.276 1.00 . A A . 14 PHE HE1 1 1
1 221 1 1 14 PHE HE2 H 5.643 0.252 8.899 1.00 . A A . 14 PHE HE2 1 1
1 222 1 1 14 PHE HZ H 4.893 2.519 9.446 1.00 . A A . 14 PHE HZ 1 1
1 223 1 1 14 PHE N N 2.539 -0.733 3.307 1.00 . A A . 14 PHE N 1 1
1 224 1 1 14 PHE O O 3.135 2.572 4.240 1.00 . A A . 14 PHE O 1 1
1 225 1 1 15 PRO C C 5.976 2.405 2.743 1.00 . A A . 15 PRO C 1 1
1 226 1 1 15 PRO CA C 5.827 1.762 4.123 1.00 . A A . 15 PRO CA 1 1
1 227 1 1 15 PRO CB C 7.011 0.886 4.502 1.00 . A A . 15 PRO CB 1 1
1 228 1 1 15 PRO CD C 5.041 -0.536 4.133 1.00 . A A . 15 PRO CD 1 1
1 229 1 1 15 PRO CG C 6.554 -0.548 4.287 1.00 . A A . 15 PRO CG 1 1
1 230 1 1 15 PRO HA H 5.706 2.519 4.765 1.00 . A A . 15 PRO HA 1 1
1 231 1 1 15 PRO HB2 H 7.879 1.116 3.885 1.00 . A A . 15 PRO HB2 1 1
1 232 1 1 15 PRO HB3 H 7.304 1.052 5.538 1.00 . A A . 15 PRO HB3 1 1
1 233 1 1 15 PRO HD2 H 4.735 -1.003 3.197 1.00 . A A . 15 PRO HD2 1 1
1 234 1 1 15 PRO HD3 H 4.558 -1.088 4.938 1.00 . A A . 15 PRO HD3 1 1
1 235 1 1 15 PRO HG2 H 7.025 -0.969 3.399 1.00 . A A . 15 PRO HG2 1 1
1 236 1 1 15 PRO HG3 H 6.847 -1.171 5.131 1.00 . A A . 15 PRO HG3 1 1
1 237 1 1 15 PRO N N 4.676 0.877 4.164 1.00 . A A . 15 PRO N 1 1
1 238 1 1 15 PRO O O 6.478 3.521 2.624 1.00 . A A . 15 PRO O 1 1
1 239 1 1 16 VAL C C 4.639 3.342 0.203 1.00 . A A . 16 VAL C 1 1
1 240 1 1 16 VAL CA C 5.598 2.160 0.366 1.00 . A A . 16 VAL CA 1 1
1 241 1 1 16 VAL CB C 5.313 1.019 -0.612 1.00 . A A . 16 VAL CB 1 1
1 242 1 1 16 VAL CG1 C 4.164 1.380 -1.556 1.00 . A A . 16 VAL CG1 1 1
1 243 1 1 16 VAL CG2 C 6.570 0.642 -1.398 1.00 . A A . 16 VAL CG2 1 1
1 244 1 1 16 VAL H H 5.128 0.762 1.838 1.00 . A A . 16 VAL H 1 1
1 245 1 1 16 VAL HA H 6.616 2.508 0.192 1.00 . A A . 16 VAL HA 1 1
1 246 1 1 16 VAL HB H 5.008 0.148 -0.031 1.00 . A A . 16 VAL HB 1 1
1 247 1 1 16 VAL HG11 H 4.412 2.293 -2.097 1.00 . A A . 16 VAL HG11 1 1
1 248 1 1 16 VAL HG12 H 4.008 0.568 -2.265 1.00 . A A . 16 VAL HG12 1 1
1 249 1 1 16 VAL HG13 H 3.254 1.537 -0.977 1.00 . A A . 16 VAL HG13 1 1
1 250 1 1 16 VAL HG21 H 6.348 -0.193 -2.061 1.00 . A A . 16 VAL HG21 1 1
1 251 1 1 16 VAL HG22 H 6.899 1.498 -1.989 1.00 . A A . 16 VAL HG22 1 1
1 252 1 1 16 VAL HG23 H 7.360 0.355 -0.704 1.00 . A A . 16 VAL HG23 1 1
1 253 1 1 16 VAL N N 5.530 1.672 1.733 1.00 . A A . 16 VAL N 1 1
1 254 1 1 16 VAL O O 4.940 4.294 -0.516 1.00 . A A . 16 VAL O 1 1
1 255 1 1 17 CYS C C 2.938 5.487 1.578 1.00 . A A . 17 CYS C 1 1
1 256 1 1 17 CYS CA C 2.480 4.265 0.779 1.00 . A A . 17 CYS CA 1 1
1 257 1 1 17 CYS CB C 1.119 3.750 1.254 1.00 . A A . 17 CYS CB 1 1
1 258 1 1 17 CYS H H 3.285 2.481 1.492 1.00 . A A . 17 CYS H 1 1
1 259 1 1 17 CYS HA H 2.384 4.508 -0.279 1.00 . A A . 17 CYS HA 1 1
1 260 1 1 17 CYS HB2 H 1.234 3.325 2.251 1.00 . A A . 17 CYS HB2 1 1
1 261 1 1 17 CYS HB3 H 0.438 4.596 1.344 1.00 . A A . 17 CYS HB3 1 1
1 262 1 1 17 CYS N N 3.507 3.241 0.882 1.00 . A A . 17 CYS N 1 1
1 263 1 1 17 CYS O O 2.752 6.622 1.143 1.00 . A A . 17 CYS O 1 1
1 264 1 1 17 CYS SG S 0.352 2.493 0.166 1.00 . A A . 17 CYS SG 1 1
1 265 1 1 18 LYS C C 5.148 7.006 3.004 1.00 . A A . 18 LYS C 1 1
1 266 1 1 18 LYS CA C 3.956 6.276 3.625 1.00 . A A . 18 LYS CA 1 1
1 267 1 1 18 LYS CB C 4.235 5.721 5.023 1.00 . A A . 18 LYS CB 1 1
1 268 1 1 18 LYS CD C 4.583 6.318 7.448 1.00 . A A . 18 LYS CD 1 1
1 269 1 1 18 LYS CE C 4.895 7.443 8.438 1.00 . A A . 18 LYS CE 1 1
1 270 1 1 18 LYS CG C 4.509 6.852 6.017 1.00 . A A . 18 LYS CG 1 1
1 271 1 1 18 LYS H H 3.711 4.286 3.060 1.00 . A A . 18 LYS H 1 1
1 272 1 1 18 LYS HA H 3.129 6.979 3.716 1.00 . A A . 18 LYS HA 1 1
1 273 1 1 18 LYS HB2 H 3.383 5.133 5.363 1.00 . A A . 18 LYS HB2 1 1
1 274 1 1 18 LYS HB3 H 5.092 5.048 4.987 1.00 . A A . 18 LYS HB3 1 1
1 275 1 1 18 LYS HD2 H 3.636 5.848 7.715 1.00 . A A . 18 LYS HD2 1 1
1 276 1 1 18 LYS HD3 H 5.351 5.547 7.515 1.00 . A A . 18 LYS HD3 1 1
1 277 1 1 18 LYS HE2 H 5.847 7.907 8.180 1.00 . A A . 18 LYS HE2 1 1
1 278 1 1 18 LYS HE3 H 4.133 8.218 8.368 1.00 . A A . 18 LYS HE3 1 1
1 279 1 1 18 LYS HG2 H 5.446 7.346 5.761 1.00 . A A . 18 LYS HG2 1 1
1 280 1 1 18 LYS HG3 H 3.722 7.603 5.945 1.00 . A A . 18 LYS HG3 1 1
1 281 1 1 18 LYS HZ1 H 4.068 6.514 10.060 1.00 . A A . 18 LYS HZ1 1 1
1 282 1 1 18 LYS HZ2 H 5.663 6.218 9.882 1.00 . A A . 18 LYS HZ2 1 1
1 283 1 1 18 LYS HZ3 H 5.159 7.663 10.453 1.00 . A A . 18 LYS HZ3 1 1
1 284 1 1 18 LYS N N 3.527 5.212 2.733 1.00 . A A . 18 LYS N 1 1
1 285 1 1 18 LYS NZ N 4.951 6.916 9.820 1.00 . A A . 18 LYS NZ 1 1
1 286 1 1 18 LYS O O 5.326 8.204 3.218 1.00 . A A . 18 LYS O 1 1
1 287 1 1 19 SER C C 6.634 7.645 0.364 1.00 . A A . 19 SER C 1 1
1 288 1 1 19 SER CA C 7.088 6.821 1.571 1.00 . A A . 19 SER CA 1 1
1 289 1 1 19 SER CB C 8.062 5.727 1.132 1.00 . A A . 19 SER CB 1 1
1 290 1 1 19 SER H H 5.792 5.276 2.093 1.00 . A A . 19 SER H 1 1
1 291 1 1 19 SER HA H 7.570 7.461 2.311 1.00 . A A . 19 SER HA 1 1
1 292 1 1 19 SER HB2 H 8.421 5.187 2.009 1.00 . A A . 19 SER HB2 1 1
1 293 1 1 19 SER HB3 H 7.538 5.006 0.505 1.00 . A A . 19 SER HB3 1 1
1 294 1 1 19 SER HG H 9.727 6.832 1.018 1.00 . A A . 19 SER HG 1 1
1 295 1 1 19 SER N N 5.934 6.254 2.247 1.00 . A A . 19 SER N 1 1
1 296 1 1 19 SER O O 7.023 8.802 0.215 1.00 . A A . 19 SER O 1 1
1 297 1 1 19 SER OG O 9.174 6.258 0.414 1.00 . A A . 19 SER OG 1 1
1 298 1 1 20 ARG C C 4.476 8.660 -1.688 1.00 . A A . 20 ARG C 1 1
1 299 1 1 20 ARG CA C 5.530 7.555 -1.786 1.00 . A A . 20 ARG CA 1 1
1 300 1 1 20 ARG CB C 5.026 6.463 -2.731 1.00 . A A . 20 ARG CB 1 1
1 301 1 1 20 ARG CD C 4.504 5.894 -5.133 1.00 . A A . 20 ARG CD 1 1
1 302 1 1 20 ARG CG C 4.784 7.020 -4.135 1.00 . A A . 20 ARG CG 1 1
1 303 1 1 20 ARG CZ C 3.691 5.725 -7.482 1.00 . A A . 20 ARG CZ 1 1
1 304 1 1 20 ARG H H 5.358 6.153 -0.256 1.00 . A A . 20 ARG H 1 1
1 305 1 1 20 ARG HA H 6.482 7.952 -2.140 1.00 . A A . 20 ARG HA 1 1
1 306 1 1 20 ARG HB2 H 5.755 5.654 -2.779 1.00 . A A . 20 ARG HB2 1 1
1 307 1 1 20 ARG HB3 H 4.102 6.036 -2.341 1.00 . A A . 20 ARG HB3 1 1
1 308 1 1 20 ARG HD2 H 5.404 5.299 -5.284 1.00 . A A . 20 ARG HD2 1 1
1 309 1 1 20 ARG HD3 H 3.742 5.226 -4.733 1.00 . A A . 20 ARG HD3 1 1
1 310 1 1 20 ARG HE H 4.015 7.457 -6.510 1.00 . A A . 20 ARG HE 1 1
1 311 1 1 20 ARG HG2 H 3.941 7.711 -4.116 1.00 . A A . 20 ARG HG2 1 1
1 312 1 1 20 ARG HG3 H 5.655 7.591 -4.460 1.00 . A A . 20 ARG HG3 1 1
1 313 1 1 20 ARG HH11 H 4.139 3.943 -6.610 1.00 . A A . 20 ARG HH11 1 1
1 314 1 1 20 ARG HH12 H 3.506 3.838 -8.218 1.00 . A A . 20 ARG HH12 1 1
1 315 1 1 20 ARG HH21 H 3.162 7.320 -8.626 1.00 . A A . 20 ARG HH21 1 1
1 316 1 1 20 ARG HH22 H 2.967 5.774 -9.381 1.00 . A A . 20 ARG HH22 1 1
1 317 1 1 20 ARG N N 5.818 7.015 -0.469 1.00 . A A . 20 ARG N 1 1
1 318 1 1 20 ARG NE N 4.052 6.461 -6.423 1.00 . A A . 20 ARG NE 1 1
1 319 1 1 20 ARG NH1 N 3.786 4.389 -7.433 1.00 . A A . 20 ARG NH1 1 1
1 320 1 1 20 ARG NH2 N 3.235 6.323 -8.590 1.00 . A A . 20 ARG NH2 1 1
1 321 1 1 20 ARG O O 4.730 9.801 -2.072 1.00 . A A . 20 ARG O 1 1
1 322 1 1 21 PHE C C 2.017 9.958 0.076 1.00 . A A . 21 PHE C 1 1
1 323 1 1 21 PHE CA C 2.156 9.157 -1.220 1.00 . A A . 21 PHE CA 1 1
1 324 1 1 21 PHE CB C 0.927 8.259 -1.385 1.00 . A A . 21 PHE CB 1 1
1 325 1 1 21 PHE CD1 C 0.998 8.012 -3.875 1.00 . A A . 21 PHE CD1 1 1
1 326 1 1 21 PHE CD2 C 0.901 6.053 -2.570 1.00 . A A . 21 PHE CD2 1 1
1 327 1 1 21 PHE CE1 C 1.012 7.223 -5.057 1.00 . A A . 21 PHE CE1 1 1
1 328 1 1 21 PHE CE2 C 0.916 5.266 -3.751 1.00 . A A . 21 PHE CE2 1 1
1 329 1 1 21 PHE CG C 0.942 7.410 -2.657 1.00 . A A . 21 PHE CG 1 1
1 330 1 1 21 PHE CZ C 0.970 5.867 -4.970 1.00 . A A . 21 PHE CZ 1 1
1 331 1 1 21 PHE H H 3.162 7.401 -0.726 1.00 . A A . 21 PHE H 1 1
1 332 1 1 21 PHE HA H 2.302 9.842 -2.055 1.00 . A A . 21 PHE HA 1 1
1 333 1 1 21 PHE HB2 H 0.854 7.599 -0.521 1.00 . A A . 21 PHE HB2 1 1
1 334 1 1 21 PHE HB3 H 0.032 8.882 -1.387 1.00 . A A . 21 PHE HB3 1 1
1 335 1 1 21 PHE HD1 H 1.031 9.099 -3.945 1.00 . A A . 21 PHE HD1 1 1
1 336 1 1 21 PHE HD2 H 0.857 5.571 -1.594 1.00 . A A . 21 PHE HD2 1 1
1 337 1 1 21 PHE HE1 H 1.056 7.706 -6.033 1.00 . A A . 21 PHE HE1 1 1
1 338 1 1 21 PHE HE2 H 0.882 4.178 -3.681 1.00 . A A . 21 PHE HE2 1 1
1 339 1 1 21 PHE HZ H 0.981 5.262 -5.877 1.00 . A A . 21 PHE HZ 1 1
1 340 1 1 21 PHE N N 3.316 8.283 -1.172 1.00 . A A . 21 PHE N 1 1
1 341 1 1 21 PHE O O 1.346 10.989 0.104 1.00 . A A . 21 PHE O 1 1
1 342 1 1 22 GLY C C 1.316 9.769 3.151 1.00 . A A . 22 GLY C 1 1
1 343 1 1 22 GLY CA C 2.614 10.106 2.415 1.00 . A A . 22 GLY CA 1 1
1 344 1 1 22 GLY H H 3.209 8.617 1.085 1.00 . A A . 22 GLY H 1 1
1 345 1 1 22 GLY HA2 H 3.468 9.793 3.015 1.00 . A A . 22 GLY HA2 1 1
1 346 1 1 22 GLY HA3 H 2.693 11.186 2.286 1.00 . A A . 22 GLY HA3 1 1
1 347 1 1 22 GLY N N 2.662 9.454 1.117 1.00 . A A . 22 GLY N 1 1
1 348 1 1 22 GLY O O 0.848 10.546 3.980 1.00 . A A . 22 GLY O 1 1
1 349 1 1 23 LYS C C -0.193 7.555 4.791 1.00 . A A . 23 LYS C 1 1
1 350 1 1 23 LYS CA C -0.478 8.169 3.419 1.00 . A A . 23 LYS CA 1 1
1 351 1 1 23 LYS CB C -1.229 7.232 2.471 1.00 . A A . 23 LYS CB 1 1
1 352 1 1 23 LYS CD C -3.175 8.280 1.258 1.00 . A A . 23 LYS CD 1 1
1 353 1 1 23 LYS CE C -3.589 9.176 0.088 1.00 . A A . 23 LYS CE 1 1
1 354 1 1 23 LYS CG C -1.677 7.972 1.209 1.00 . A A . 23 LYS CG 1 1
1 355 1 1 23 LYS H H 1.165 7.974 2.155 1.00 . A A . 23 LYS H 1 1
1 356 1 1 23 LYS HA H -1.102 9.052 3.559 1.00 . A A . 23 LYS HA 1 1
1 357 1 1 23 LYS HB2 H -0.586 6.395 2.196 1.00 . A A . 23 LYS HB2 1 1
1 358 1 1 23 LYS HB3 H -2.098 6.813 2.979 1.00 . A A . 23 LYS HB3 1 1
1 359 1 1 23 LYS HD2 H -3.743 7.350 1.227 1.00 . A A . 23 LYS HD2 1 1
1 360 1 1 23 LYS HD3 H -3.419 8.772 2.199 1.00 . A A . 23 LYS HD3 1 1
1 361 1 1 23 LYS HE2 H -3.020 10.106 0.115 1.00 . A A . 23 LYS HE2 1 1
1 362 1 1 23 LYS HE3 H -3.351 8.685 -0.855 1.00 . A A . 23 LYS HE3 1 1
1 363 1 1 23 LYS HG2 H -1.114 8.900 1.109 1.00 . A A . 23 LYS HG2 1 1
1 364 1 1 23 LYS HG3 H -1.455 7.367 0.330 1.00 . A A . 23 LYS HG3 1 1
1 365 1 1 23 LYS HZ1 H -5.244 9.949 1.003 1.00 . A A . 23 LYS HZ1 1 1
1 366 1 1 23 LYS HZ2 H -5.292 10.051 -0.626 1.00 . A A . 23 LYS HZ2 1 1
1 367 1 1 23 LYS HZ3 H -5.554 8.617 0.110 1.00 . A A . 23 LYS HZ3 1 1
1 368 1 1 23 LYS N N 0.770 8.608 2.818 1.00 . A A . 23 LYS N 1 1
1 369 1 1 23 LYS NZ N -5.038 9.472 0.149 1.00 . A A . 23 LYS NZ 1 1
1 370 1 1 23 LYS O O 0.950 7.213 5.096 1.00 . A A . 23 LYS O 1 1
1 371 1 1 24 THR C C -0.834 5.517 7.051 1.00 . A A . 24 THR C 1 1
1 372 1 1 24 THR CA C -1.102 7.021 6.968 1.00 . A A . 24 THR CA 1 1
1 373 1 1 24 THR CB C -2.358 7.457 7.726 1.00 . A A . 24 THR CB 1 1
1 374 1 1 24 THR CG2 C -2.446 8.977 7.887 1.00 . A A . 24 THR CG2 1 1
1 375 1 1 24 THR H H -2.188 7.612 5.291 1.00 . A A . 24 THR H 1 1
1 376 1 1 24 THR HA H -0.231 7.525 7.386 1.00 . A A . 24 THR HA 1 1
1 377 1 1 24 THR HB H -2.421 6.959 8.693 1.00 . A A . 24 THR HB 1 1
1 378 1 1 24 THR HG1 H -4.292 7.118 7.339 1.00 . A A . 24 THR HG1 1 1
1 379 1 1 24 THR HG21 H -1.573 9.335 8.432 1.00 . A A . 24 THR HG21 1 1
1 380 1 1 24 THR HG22 H -2.478 9.445 6.903 1.00 . A A . 24 THR HG22 1 1
1 381 1 1 24 THR HG23 H -3.349 9.231 8.440 1.00 . A A . 24 THR HG23 1 1
1 382 1 1 24 THR N N -1.248 7.434 5.582 1.00 . A A . 24 THR N 1 1
1 383 1 1 24 THR O O -0.053 5.067 7.887 1.00 . A A . 24 THR O 1 1
1 384 1 1 24 THR OG1 O -3.427 7.140 6.839 1.00 . A A . 24 THR OG1 1 1
1 385 1 1 25 ASN C C -1.790 2.784 4.812 1.00 . A A . 25 ASN C 1 1
1 386 1 1 25 ASN CA C -1.405 3.331 6.187 1.00 . A A . 25 ASN CA 1 1
1 387 1 1 25 ASN CB C -2.363 2.731 7.219 1.00 . A A . 25 ASN CB 1 1
1 388 1 1 25 ASN CG C -2.052 1.253 7.461 1.00 . A A . 25 ASN CG 1 1
1 389 1 1 25 ASN H H -2.087 5.158 5.457 1.00 . A A . 25 ASN H 1 1
1 390 1 1 25 ASN HA H -0.370 3.113 6.449 1.00 . A A . 25 ASN HA 1 1
1 391 1 1 25 ASN HB2 H -2.284 3.281 8.157 1.00 . A A . 25 ASN HB2 1 1
1 392 1 1 25 ASN HB3 H -3.391 2.838 6.873 1.00 . A A . 25 ASN HB3 1 1
1 393 1 1 25 ASN HD21 H -3.930 1.024 8.182 1.00 . A A . 25 ASN HD21 1 1
1 394 1 1 25 ASN HD22 H -2.969 -0.418 8.144 1.00 . A A . 25 ASN HD22 1 1
1 395 1 1 25 ASN N N -1.497 4.781 6.171 1.00 . A A . 25 ASN N 1 1
1 396 1 1 25 ASN ND2 N -3.067 0.563 7.971 1.00 . A A . 25 ASN ND2 1 1
1 397 1 1 25 ASN O O -2.428 3.475 4.021 1.00 . A A . 25 ASN O 1 1
1 398 1 1 25 ASN OD1 O -0.961 0.770 7.201 1.00 . A A . 25 ASN OD1 1 1
1 399 1 1 26 GLY C C -2.063 -0.616 3.616 1.00 . A A . 26 GLY C 1 1
1 400 1 1 26 GLY CA C -1.767 0.860 3.346 1.00 . A A . 26 GLY CA 1 1
1 401 1 1 26 GLY H H -0.805 1.015 5.187 1.00 . A A . 26 GLY H 1 1
1 402 1 1 26 GLY HA2 H -2.647 1.338 2.916 1.00 . A A . 26 GLY HA2 1 1
1 403 1 1 26 GLY HA3 H -0.967 0.945 2.611 1.00 . A A . 26 GLY HA3 1 1
1 404 1 1 26 GLY N N -1.384 1.546 4.568 1.00 . A A . 26 GLY N 1 1
1 405 1 1 26 GLY O O -1.625 -1.167 4.626 1.00 . A A . 26 GLY O 1 1
1 406 1 1 27 ARG C C -3.312 -3.286 1.488 1.00 . A A . 27 ARG C 1 1
1 407 1 1 27 ARG CA C -3.218 -2.600 2.854 1.00 . A A . 27 ARG CA 1 1
1 408 1 1 27 ARG CB C -4.573 -2.694 3.558 1.00 . A A . 27 ARG CB 1 1
1 409 1 1 27 ARG CD C -6.168 -4.217 4.780 1.00 . A A . 27 ARG CD 1 1
1 410 1 1 27 ARG CG C -4.903 -4.142 3.923 1.00 . A A . 27 ARG CG 1 1
1 411 1 1 27 ARG CZ C -5.845 -6.236 6.203 1.00 . A A . 27 ARG CZ 1 1
1 412 1 1 27 ARG H H -3.119 -0.774 1.857 1.00 . A A . 27 ARG H 1 1
1 413 1 1 27 ARG HA H -2.441 -3.056 3.468 1.00 . A A . 27 ARG HA 1 1
1 414 1 1 27 ARG HB2 H -4.561 -2.081 4.459 1.00 . A A . 27 ARG HB2 1 1
1 415 1 1 27 ARG HB3 H -5.352 -2.291 2.910 1.00 . A A . 27 ARG HB3 1 1
1 416 1 1 27 ARG HD2 H -6.052 -3.599 5.670 1.00 . A A . 27 ARG HD2 1 1
1 417 1 1 27 ARG HD3 H -7.017 -3.818 4.225 1.00 . A A . 27 ARG HD3 1 1
1 418 1 1 27 ARG HE H -7.093 -6.140 4.628 1.00 . A A . 27 ARG HE 1 1
1 419 1 1 27 ARG HG2 H -5.039 -4.728 3.014 1.00 . A A . 27 ARG HG2 1 1
1 420 1 1 27 ARG HG3 H -4.066 -4.584 4.464 1.00 . A A . 27 ARG HG3 1 1
1 421 1 1 27 ARG HH11 H -4.587 -4.695 6.628 1.00 . A A . 27 ARG HH11 1 1
1 422 1 1 27 ARG HH12 H -4.475 -6.053 7.696 1.00 . A A . 27 ARG HH12 1 1
1 423 1 1 27 ARG HH21 H -6.926 -7.948 6.020 1.00 . A A . 27 ARG HH21 1 1
1 424 1 1 27 ARG HH22 H -5.771 -7.940 7.311 1.00 . A A . 27 ARG HH22 1 1
1 425 1 1 27 ARG N N -2.804 -1.217 2.696 1.00 . A A . 27 ARG N 1 1
1 426 1 1 27 ARG NE N -6.433 -5.620 5.170 1.00 . A A . 27 ARG NE 1 1
1 427 1 1 27 ARG NH1 N -4.887 -5.609 6.901 1.00 . A A . 27 ARG NH1 1 1
1 428 1 1 27 ARG NH2 N -6.213 -7.480 6.539 1.00 . A A . 27 ARG NH2 1 1
1 429 1 1 27 ARG O O -3.745 -2.676 0.513 1.00 . A A . 27 ARG O 1 1
1 430 1 1 28 CYS C C -4.217 -5.838 -0.097 1.00 . A A . 28 CYS C 1 1
1 431 1 1 28 CYS CA C -2.826 -5.284 0.215 1.00 . A A . 28 CYS CA 1 1
1 432 1 1 28 CYS CB C -1.770 -6.390 0.274 1.00 . A A . 28 CYS CB 1 1
1 433 1 1 28 CYS H H -2.617 -5.056 2.275 1.00 . A A . 28 CYS H 1 1
1 434 1 1 28 CYS HA H -2.511 -4.574 -0.550 1.00 . A A . 28 CYS HA 1 1
1 435 1 1 28 CYS HB2 H -0.881 -5.998 0.767 1.00 . A A . 28 CYS HB2 1 1
1 436 1 1 28 CYS HB3 H -2.149 -7.201 0.895 1.00 . A A . 28 CYS HB3 1 1
1 437 1 1 28 CYS N N -2.899 -4.544 1.464 1.00 . A A . 28 CYS N 1 1
1 438 1 1 28 CYS O O -4.618 -6.864 0.449 1.00 . A A . 28 CYS O 1 1
1 439 1 1 28 CYS SG S -1.287 -7.076 -1.352 1.00 . A A . 28 CYS SG 1 1
1 440 1 1 29 VAL C C -6.190 -6.340 -2.661 1.00 . A A . 29 VAL C 1 1
1 441 1 1 29 VAL CA C -6.258 -5.537 -1.361 1.00 . A A . 29 VAL CA 1 1
1 442 1 1 29 VAL CB C -7.165 -4.309 -1.463 1.00 . A A . 29 VAL CB 1 1
1 443 1 1 29 VAL CG1 C -8.550 -4.694 -1.988 1.00 . A A . 29 VAL CG1 1 1
1 444 1 1 29 VAL CG2 C -7.268 -3.589 -0.117 1.00 . A A . 29 VAL CG2 1 1
1 445 1 1 29 VAL H H -4.581 -4.302 -1.419 1.00 . A A . 29 VAL H 1 1
1 446 1 1 29 VAL HA H -6.647 -6.179 -0.572 1.00 . A A . 29 VAL HA 1 1
1 447 1 1 29 VAL HB H -6.716 -3.619 -2.178 1.00 . A A . 29 VAL HB 1 1
1 448 1 1 29 VAL HG11 H -8.953 -5.508 -1.385 1.00 . A A . 29 VAL HG11 1 1
1 449 1 1 29 VAL HG12 H -9.214 -3.832 -1.924 1.00 . A A . 29 VAL HG12 1 1
1 450 1 1 29 VAL HG13 H -8.469 -5.014 -3.025 1.00 . A A . 29 VAL HG13 1 1
1 451 1 1 29 VAL HG21 H -7.679 -4.270 0.628 1.00 . A A . 29 VAL HG21 1 1
1 452 1 1 29 VAL HG22 H -6.276 -3.263 0.198 1.00 . A A . 29 VAL HG22 1 1
1 453 1 1 29 VAL HG23 H -7.921 -2.723 -0.217 1.00 . A A . 29 VAL HG23 1 1
1 454 1 1 29 VAL N N -4.916 -5.133 -0.975 1.00 . A A . 29 VAL N 1 1
1 455 1 1 29 VAL O O -5.864 -5.796 -3.715 1.00 . A A . 29 VAL O 1 1
1 456 1 1 30 ASN C C -5.318 -8.459 -4.498 1.00 . A A . 30 ASN C 1 1
1 457 1 1 30 ASN CA C -6.633 -8.471 -3.717 1.00 . A A . 30 ASN CA 1 1
1 458 1 1 30 ASN CB C -7.738 -7.963 -4.644 1.00 . A A . 30 ASN CB 1 1
1 459 1 1 30 ASN CG C -9.059 -7.805 -3.888 1.00 . A A . 30 ASN CG 1 1
1 460 1 1 30 ASN H H -6.666 -8.081 -1.671 1.00 . A A . 30 ASN H 1 1
1 461 1 1 30 ASN HA H -6.879 -9.459 -3.329 1.00 . A A . 30 ASN HA 1 1
1 462 1 1 30 ASN HB2 H -7.445 -7.006 -5.076 1.00 . A A . 30 ASN HB2 1 1
1 463 1 1 30 ASN HB3 H -7.870 -8.659 -5.473 1.00 . A A . 30 ASN HB3 1 1
1 464 1 1 30 ASN HD21 H -9.711 -6.595 -5.375 1.00 . A A . 30 ASN HD21 1 1
1 465 1 1 30 ASN HD22 H -10.828 -6.838 -4.073 1.00 . A A . 30 ASN HD22 1 1
1 466 1 1 30 ASN N N -6.503 -7.623 -2.544 1.00 . A A . 30 ASN N 1 1
1 467 1 1 30 ASN ND2 N -9.939 -7.014 -4.496 1.00 . A A . 30 ASN ND2 1 1
1 468 1 1 30 ASN O O -5.322 -8.496 -5.728 1.00 . A A . 30 ASN O 1 1
1 469 1 1 30 ASN OD1 O -9.266 -8.364 -2.824 1.00 . A A . 30 ASN OD1 1 1
1 470 1 1 31 GLY C C -2.353 -7.286 -4.887 1.00 . A A . 31 GLY C 1 1
1 471 1 1 31 GLY CA C -2.908 -8.602 -4.338 1.00 . A A . 31 GLY CA 1 1
1 472 1 1 31 GLY H H -4.226 -8.237 -2.767 1.00 . A A . 31 GLY H 1 1
1 473 1 1 31 GLY HA2 H -2.227 -9.002 -3.588 1.00 . A A . 31 GLY HA2 1 1
1 474 1 1 31 GLY HA3 H -2.968 -9.338 -5.140 1.00 . A A . 31 GLY HA3 1 1
1 475 1 1 31 GLY N N -4.223 -8.408 -3.752 1.00 . A A . 31 GLY N 1 1
1 476 1 1 31 GLY O O -1.322 -7.275 -5.558 1.00 . A A . 31 GLY O 1 1
1 477 1 1 32 PHE C C -2.843 -3.859 -3.891 1.00 . A A . 32 PHE C 1 1
1 478 1 1 32 PHE CA C -2.633 -4.886 -5.005 1.00 . A A . 32 PHE CA 1 1
1 479 1 1 32 PHE CB C -3.497 -4.500 -6.208 1.00 . A A . 32 PHE CB 1 1
1 480 1 1 32 PHE CD1 C -2.099 -5.221 -8.157 1.00 . A A . 32 PHE CD1 1 1
1 481 1 1 32 PHE CD2 C -4.190 -6.263 -7.847 1.00 . A A . 32 PHE CD2 1 1
1 482 1 1 32 PHE CE1 C -1.873 -6.018 -9.310 1.00 . A A . 32 PHE CE1 1 1
1 483 1 1 32 PHE CE2 C -3.963 -7.060 -9.001 1.00 . A A . 32 PHE CE2 1 1
1 484 1 1 32 PHE CG C -3.253 -5.360 -7.450 1.00 . A A . 32 PHE CG 1 1
1 485 1 1 32 PHE CZ C -2.809 -6.921 -9.707 1.00 . A A . 32 PHE CZ 1 1
1 486 1 1 32 PHE H H -3.912 -6.229 -4.055 1.00 . A A . 32 PHE H 1 1
1 487 1 1 32 PHE HA H -1.571 -4.951 -5.243 1.00 . A A . 32 PHE HA 1 1
1 488 1 1 32 PHE HB2 H -4.548 -4.576 -5.926 1.00 . A A . 32 PHE HB2 1 1
1 489 1 1 32 PHE HB3 H -3.308 -3.457 -6.458 1.00 . A A . 32 PHE HB3 1 1
1 490 1 1 32 PHE HD1 H -1.349 -4.498 -7.839 1.00 . A A . 32 PHE HD1 1 1
1 491 1 1 32 PHE HD2 H -5.114 -6.373 -7.280 1.00 . A A . 32 PHE HD2 1 1
1 492 1 1 32 PHE HE1 H -0.948 -5.907 -9.877 1.00 . A A . 32 PHE HE1 1 1
1 493 1 1 32 PHE HE2 H -4.714 -7.783 -9.319 1.00 . A A . 32 PHE HE2 1 1
1 494 1 1 32 PHE HZ H -2.635 -7.532 -10.592 1.00 . A A . 32 PHE HZ 1 1
1 495 1 1 32 PHE N N -3.061 -6.208 -4.581 1.00 . A A . 32 PHE N 1 1
1 496 1 1 32 PHE O O -3.826 -3.927 -3.155 1.00 . A A . 32 PHE O 1 1
1 497 1 1 33 CYS C C -3.016 -1.063 -2.743 1.00 . A A . 33 CYS C 1 1
1 498 1 1 33 CYS CA C -1.839 -2.035 -2.658 1.00 . A A . 33 CYS CA 1 1
1 499 1 1 33 CYS CB C -0.498 -1.303 -2.586 1.00 . A A . 33 CYS CB 1 1
1 500 1 1 33 CYS H H -1.193 -2.783 -4.493 1.00 . A A . 33 CYS H 1 1
1 501 1 1 33 CYS HA H -1.915 -2.660 -1.768 1.00 . A A . 33 CYS HA 1 1
1 502 1 1 33 CYS HB2 H -0.359 -0.738 -3.508 1.00 . A A . 33 CYS HB2 1 1
1 503 1 1 33 CYS HB3 H -0.538 -0.579 -1.772 1.00 . A A . 33 CYS HB3 1 1
1 504 1 1 33 CYS N N -1.902 -2.929 -3.802 1.00 . A A . 33 CYS N 1 1
1 505 1 1 33 CYS O O -3.360 -0.591 -3.825 1.00 . A A . 33 CYS O 1 1
1 506 1 1 33 CYS SG S 0.956 -2.385 -2.338 1.00 . A A . 33 CYS SG 1 1
1 507 1 1 34 ASP C C -4.130 1.209 -0.306 1.00 . A A . 34 ASP C 1 1
1 508 1 1 34 ASP CA C -4.551 0.302 -1.465 1.00 . A A . 34 ASP CA 1 1
1 509 1 1 34 ASP CB C -5.959 -0.216 -1.173 1.00 . A A . 34 ASP CB 1 1
1 510 1 1 34 ASP CG C -7.053 0.854 -1.164 1.00 . A A . 34 ASP CG 1 1
1 511 1 1 34 ASP H H -3.443 -1.307 -0.744 1.00 . A A . 34 ASP H 1 1
1 512 1 1 34 ASP HA H -4.520 0.815 -2.427 1.00 . A A . 34 ASP HA 1 1
1 513 1 1 34 ASP HB2 H -6.216 -0.970 -1.917 1.00 . A A . 34 ASP HB2 1 1
1 514 1 1 34 ASP HB3 H -5.953 -0.715 -0.204 1.00 . A A . 34 ASP HB3 1 1
1 515 1 1 34 ASP HD2 H -7.722 2.367 -0.264 1.00 . A A . 34 ASP HD2 1 1
1 516 1 1 34 ASP N N -3.605 -0.793 -1.586 1.00 . A A . 34 ASP N 1 1
1 517 1 1 34 ASP O O -3.936 0.740 0.815 1.00 . A A . 34 ASP O 1 1
1 518 1 1 34 ASP OD1 O -7.936 0.872 -2.035 1.00 . A A . 34 ASP OD1 1 1
1 519 1 1 34 ASP OD2 O -6.975 1.706 -0.199 1.00 . A A . 34 ASP OD2 1 1
1 520 1 1 35 CYS C C -4.518 4.342 0.853 1.00 . A A . 35 CYS C 1 1
1 521 1 1 35 CYS CA C -3.409 3.431 0.322 1.00 . A A . 35 CYS CA 1 1
1 522 1 1 35 CYS CB C -2.274 4.230 -0.320 1.00 . A A . 35 CYS CB 1 1
1 523 1 1 35 CYS H H -4.293 2.887 -1.486 1.00 . A A . 35 CYS H 1 1
1 524 1 1 35 CYS HA H -2.976 2.838 1.128 1.00 . A A . 35 CYS HA 1 1
1 525 1 1 35 CYS HB2 H -2.696 4.889 -1.079 1.00 . A A . 35 CYS HB2 1 1
1 526 1 1 35 CYS HB3 H -1.823 4.867 0.440 1.00 . A A . 35 CYS HB3 1 1
1 527 1 1 35 CYS N N -4.001 2.491 -0.615 1.00 . A A . 35 CYS N 1 1
1 528 1 1 35 CYS O O -5.416 4.732 0.108 1.00 . A A . 35 CYS O 1 1
1 529 1 1 35 CYS SG S -0.960 3.214 -1.090 1.00 . A A . 35 CYS SG 1 1
1 530 1 1 36 PHE C C -4.872 6.099 4.074 1.00 . A A . 36 PHE C 1 1
1 531 1 1 36 PHE CA C -5.420 5.484 2.784 1.00 . A A . 36 PHE CA 1 1
1 532 1 1 36 PHE CB C -6.603 4.578 3.128 1.00 . A A . 36 PHE CB 1 1
1 533 1 1 36 PHE CD1 C -5.864 2.189 3.266 1.00 . A A . 36 PHE CD1 1 1
1 534 1 1 36 PHE CD2 C -6.228 3.354 5.281 1.00 . A A . 36 PHE CD2 1 1
1 535 1 1 36 PHE CE1 C -5.507 1.028 4.002 1.00 . A A . 36 PHE CE1 1 1
1 536 1 1 36 PHE CE2 C -5.870 2.193 6.016 1.00 . A A . 36 PHE CE2 1 1
1 537 1 1 36 PHE CG C -6.217 3.327 3.921 1.00 . A A . 36 PHE CG 1 1
1 538 1 1 36 PHE CZ C -5.518 1.054 5.361 1.00 . A A . 36 PHE CZ 1 1
1 539 1 1 36 PHE H H -3.676 4.347 2.731 1.00 . A A . 36 PHE H 1 1
1 540 1 1 36 PHE HA H -5.678 6.281 2.086 1.00 . A A . 36 PHE HA 1 1
1 541 1 1 36 PHE HB2 H -7.331 5.149 3.703 1.00 . A A . 36 PHE HB2 1 1
1 542 1 1 36 PHE HB3 H -7.094 4.273 2.205 1.00 . A A . 36 PHE HB3 1 1
1 543 1 1 36 PHE HD1 H -5.856 2.167 2.176 1.00 . A A . 36 PHE HD1 1 1
1 544 1 1 36 PHE HD2 H -6.511 4.265 5.806 1.00 . A A . 36 PHE HD2 1 1
1 545 1 1 36 PHE HE1 H -5.224 0.116 3.477 1.00 . A A . 36 PHE HE1 1 1
1 546 1 1 36 PHE HE2 H -5.879 2.214 7.106 1.00 . A A . 36 PHE HE2 1 1
1 547 1 1 36 PHE HZ H -5.242 0.164 5.926 1.00 . A A . 36 PHE HZ 1 1
1 548 1 1 36 PHE N N -4.420 4.653 2.137 1.00 . A A . 36 PHE N 1 1
1 549 1 1 36 PHE O O -3.861 5.639 4.603 1.00 . A A . 36 PHE O 1 1
1 550 1 1 36 PHE OXT O -5.543 7.102 4.529 1.00 . A A . 36 PHE OXT 1 1
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