NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
368548 |
1awy   |
cing | 4-filtered-FRED | STAR | entry | full | 283 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1awy
# This FRED archive file contains, for PDB entry <1awy>:
#
# - 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_1awy
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1awy
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2256.12
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 $CONANTOXIN_G A . 1 1
stop_
save_
save_CONANTOXIN_G
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CONANTOXIN G"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GEXXLQXNQXLIRXKSNX
_Entity.Number_of_monomers 18
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 GLU . 1 1
3 CGU $CGU 1 1
4 CGU $CGU 1 1
5 LEU . 1 1
6 GLN . 1 1
7 CGU $CGU 1 1
8 ASN . 1 1
9 GLN . 1 1
10 CGU $CGU 1 1
11 LEU . 1 1
12 ILE . 1 1
13 ARG . 1 1
14 CGU $CGU 1 1
15 LYS . 1 1
16 SER . 1 1
17 ASN . 1 1
18 NH2 $NH2 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLY 1 1 1 1
GLU 2 2 1 1
CGU 3 3 1 1
CGU 4 4 1 1
LEU 5 5 1 1
GLN 6 6 1 1
CGU 7 7 1 1
ASN 8 8 1 1
GLN 9 9 1 1
CGU 10 10 1 1
LEU 11 11 1 1
ILE 12 12 1 1
ARG 13 13 1 1
CGU 14 14 1 1
LYS 15 15 1 1
SER 16 16 1 1
ASN 17 17 1 1
NH2 18 18 1 1
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_CGU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID CGU
_Chem_comp.Type non-polymer
save_
save_Discover_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
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
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 GLU H 1 2 GLU- HN 1 1
1 1 2 1 1 2 GLU HA 1 2 GLU- HA 1 1
2 1 1 1 1 2 GLU H 1 2 GLU- HN 1 1
2 1 2 1 1 2 GLU HB2 1 2 GLU- HB1 1 1
3 1 1 1 1 2 GLU H 1 2 GLU- HN 1 1
3 1 2 1 1 2 GLU HB3 1 2 GLU- HB2 1 1
4 1 1 1 1 2 GLU HA 1 2 GLU- HA 1 1
4 1 2 1 1 2 GLU HB2 1 2 GLU- HB1 1 1
5 1 1 1 1 2 GLU HA 1 2 GLU- HA 1 1
5 1 2 1 1 2 GLU HB3 1 2 GLU- HB2 1 1
6 1 1 1 1 2 GLU HA 1 2 GLU- HA 1 1
6 1 2 1 1 3 CGU H 1 3 GLA HN 1 1
7 1 1 1 1 2 GLU HB2 1 2 GLU- HB1 1 1
7 1 2 1 1 3 CGU H 1 3 GLA HN 1 1
8 1 1 1 1 2 GLU HB3 1 2 GLU- HB2 1 1
8 1 2 1 1 3 CGU H 1 3 GLA HN 1 1
9 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
9 1 2 1 1 3 CGU HA 1 3 GLA HA 1 1
10 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
10 1 2 1 1 3 CGU HB2 1 3 GLA HB1 1 1
11 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
11 1 2 1 1 3 CGU HB3 1 3 GLA HB2 1 1
12 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
12 1 2 1 1 3 CGU HG 1 3 GLA HG 1 1
13 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
13 1 2 1 1 4 CGU H 1 4 GLA HN 1 1
14 1 1 1 1 3 CGU H 1 3 GLA HN 1 1
14 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
15 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
15 1 2 1 1 3 CGU HB2 1 3 GLA HB1 1 1
16 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
16 1 2 1 1 3 CGU HB3 1 3 GLA HB2 1 1
17 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
17 1 2 1 1 3 CGU HG 1 3 GLA HG 1 1
18 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
18 1 2 1 1 4 CGU H 1 4 GLA HN 1 1
19 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
19 1 2 1 1 6 GLN HB2 1 6 GLN HB1 1 1
20 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
20 1 2 1 1 6 GLN HG2 1 6 GLN HG1 1 1
21 1 1 1 1 3 CGU HA 1 3 GLA HA 1 1
21 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
22 1 1 1 1 3 CGU HB2 1 3 GLA HB1 1 1
22 1 2 1 1 3 CGU HB3 1 3 GLA HB2 1 1
23 1 1 1 1 3 CGU HB2 1 3 GLA HB1 1 1
23 1 2 1 1 3 CGU HG 1 3 GLA HG 1 1
24 1 1 1 1 3 CGU HB2 1 3 GLA HB1 1 1
24 1 2 1 1 4 CGU H 1 4 GLA HN 1 1
25 1 1 1 1 3 CGU HB2 1 3 GLA HB1 1 1
25 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
26 1 1 1 1 3 CGU HB3 1 3 GLA HB2 1 1
26 1 2 1 1 3 CGU HG 1 3 GLA HG 1 1
27 1 1 1 1 3 CGU HB3 1 3 GLA HB2 1 1
27 1 2 1 1 4 CGU H 1 4 GLA HN 1 1
28 1 1 1 1 3 CGU HG 1 3 GLA HG 1 1
28 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
29 1 1 1 1 4 CGU H 1 4 GLA HN 1 1
29 1 2 1 1 4 CGU HA 1 4 GLA HA 1 1
30 1 1 1 1 4 CGU H 1 4 GLA HN 1 1
30 1 2 1 1 4 CGU HB2 1 4 GLA HB1 1 1
31 1 1 1 1 4 CGU H 1 4 GLA HN 1 1
31 1 2 1 1 4 CGU HB3 1 4 GLA HB2 1 1
32 1 1 1 1 4 CGU H 1 4 GLA HN 1 1
32 1 2 1 1 4 CGU HG 1 4 GLA HG 1 1
33 1 1 1 1 4 CGU H 1 4 GLA HN 1 1
33 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
34 1 1 1 1 4 CGU HA 1 4 GLA HA 1 1
34 1 2 1 1 4 CGU HB2 1 4 GLA HB1 1 1
35 1 1 1 1 4 CGU HA 1 4 GLA HA 1 1
35 1 2 1 1 4 CGU HB3 1 4 GLA HB2 1 1
36 1 1 1 1 4 CGU HA 1 4 GLA HA 1 1
36 1 2 1 1 4 CGU HG 1 4 GLA HG 1 1
37 1 1 1 1 4 CGU HA 1 4 GLA HA 1 1
37 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
38 1 1 1 1 4 CGU HB2 1 4 GLA HB1 1 1
38 1 2 1 1 4 CGU HB3 1 4 GLA HB2 1 1
39 1 1 1 1 4 CGU HB2 1 4 GLA HB1 1 1
39 1 2 1 1 4 CGU HG 1 4 GLA HG 1 1
40 1 1 1 1 4 CGU HB2 1 4 GLA HB1 1 1
40 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
41 1 1 1 1 4 CGU HB3 1 4 GLA HB2 1 1
41 1 2 1 1 4 CGU HG 1 4 GLA HG 1 1
42 1 1 1 1 4 CGU HB3 1 4 GLA HB2 1 1
42 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
43 1 1 1 1 4 CGU HG 1 4 GLA HG 1 1
43 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
44 1 1 1 1 5 LEU CD1 1 5 LEU CD1 1 1
44 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
45 1 1 1 1 5 LEU CD1 1 5 LEU CD1 1 1
45 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1
46 1 1 1 1 5 LEU CD1 1 5 LEU CD1 1 1
46 1 2 1 1 5 LEU HB2 1 5 LEU HB1 1 1
47 1 1 1 1 5 LEU CD1 1 5 LEU CD1 1 1
47 1 2 1 1 5 LEU HB3 1 5 LEU HB2 1 1
48 1 1 1 1 5 LEU CD2 1 5 LEU CD2 1 1
48 1 2 1 1 5 LEU HB2 1 5 LEU HB1 1 1
49 1 1 1 1 5 LEU CD2 1 5 LEU CD2 1 1
49 1 2 1 1 5 LEU HB3 1 5 LEU HB2 1 1
50 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
50 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1
51 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
51 1 2 1 1 5 LEU HB2 1 5 LEU HB1 1 1
52 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
52 1 2 1 1 5 LEU HB3 1 5 LEU HB2 1 1
53 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
53 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
54 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
54 1 2 1 1 6 GLN H 1 6 GLN HN 1 1
55 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
55 1 2 1 1 7 CGU H 1 7 GLA HN 1 1
56 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
56 1 2 1 1 5 LEU HB2 1 5 LEU HB1 1 1
57 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
57 1 2 1 1 5 LEU HB3 1 5 LEU HB2 1 1
58 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
58 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
59 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
59 1 2 1 1 6 GLN H 1 6 GLN HN 1 1
60 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
60 1 2 1 1 8 ASN HB2 1 8 ASN HB1 1 1
61 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
61 1 2 1 1 8 ASN HB3 1 8 ASN HB2 1 1
62 1 1 1 1 5 LEU HB2 1 5 LEU HB1 1 1
62 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
63 1 1 1 1 5 LEU HB2 1 5 LEU HB1 1 1
63 1 2 1 1 6 GLN H 1 6 GLN HN 1 1
64 1 1 1 1 5 LEU HB3 1 5 LEU HB2 1 1
64 1 2 1 1 6 GLN H 1 6 GLN HN 1 1
65 1 1 1 1 5 LEU HB3 1 5 LEU HB2 1 1
65 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
66 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
66 1 2 1 1 6 GLN HA 1 6 GLN HA 1 1
67 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
67 1 2 1 1 6 GLN HB2 1 6 GLN HB1 1 1
68 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
68 1 2 1 1 6 GLN HB3 1 6 GLN HB2 1 1
69 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
69 1 2 1 1 6 GLN HG2 1 6 GLN HG1 1 1
70 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
70 1 2 1 1 6 GLN HG3 1 6 GLN HG2 1 1
71 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
71 1 2 1 1 7 CGU H 1 7 GLA HN 1 1
72 1 1 1 1 6 GLN H 1 6 GLN HN 1 1
72 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
73 1 1 1 1 6 GLN HA 1 6 GLN HA 1 1
73 1 2 1 1 6 GLN HB2 1 6 GLN HB1 1 1
74 1 1 1 1 6 GLN HA 1 6 GLN HA 1 1
74 1 2 1 1 6 GLN HB3 1 6 GLN HB2 1 1
75 1 1 1 1 6 GLN HA 1 6 GLN HA 1 1
75 1 2 1 1 6 GLN HG2 1 6 GLN HG1 1 1
76 1 1 1 1 6 GLN HA 1 6 GLN HA 1 1
76 1 2 1 1 6 GLN HG3 1 6 GLN HG2 1 1
77 1 1 1 1 6 GLN HA 1 6 GLN HA 1 1
77 1 2 1 1 7 CGU H 1 7 GLA HN 1 1
78 1 1 1 1 6 GLN HB2 1 6 GLN HB1 1 1
78 1 2 1 1 6 GLN HG2 1 6 GLN HG1 1 1
79 1 1 1 1 6 GLN HB2 1 6 GLN HB1 1 1
79 1 2 1 1 6 GLN HG3 1 6 GLN HG2 1 1
80 1 1 1 1 6 GLN HB2 1 6 GLN HB1 1 1
80 1 2 1 1 7 CGU H 1 7 GLA HN 1 1
81 1 1 1 1 6 GLN HB2 1 6 GLN HB1 1 1
81 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
82 1 1 1 1 6 GLN HB3 1 6 GLN HB2 1 1
82 1 2 1 1 6 GLN HG2 1 6 GLN HG1 1 1
83 1 1 1 1 6 GLN HB3 1 6 GLN HB2 1 1
83 1 2 1 1 6 GLN HG3 1 6 GLN HG2 1 1
84 1 1 1 1 6 GLN HB3 1 6 GLN HB2 1 1
84 1 2 1 1 6 GLN NE2 1 6 GLN NE2 1 1
85 1 1 1 1 6 GLN HB3 1 6 GLN HB2 1 1
85 1 2 1 1 7 CGU H 1 7 GLA HN 1 1
86 1 1 1 1 6 GLN HG2 1 6 GLN HG1 1 1
86 1 2 1 1 6 GLN NE2 1 6 GLN NE2 1 1
87 1 1 1 1 6 GLN HG3 1 6 GLN HG2 1 1
87 1 2 1 1 6 GLN NE2 1 6 GLN NE2 1 1
88 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
88 1 2 1 1 7 CGU HA 1 7 GLA HA 1 1
89 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
89 1 2 1 1 7 CGU HB2 1 7 GLA HB1 1 1
90 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
90 1 2 1 1 7 CGU HB3 1 7 GLA HB2 1 1
91 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
91 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
92 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
92 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
93 1 1 1 1 7 CGU H 1 7 GLA HN 1 1
93 1 2 1 1 9 GLN H 1 9 GLN HN 1 1
94 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
94 1 2 1 1 7 CGU HB2 1 7 GLA HB1 1 1
95 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
95 1 2 1 1 7 CGU HB3 1 7 GLA HB2 1 1
96 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
96 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
97 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
97 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
98 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
98 1 2 1 1 10 CGU HB2 1 10 GLA HB1 1 1
99 1 1 1 1 7 CGU HA 1 7 GLA HA 1 1
99 1 2 1 1 10 CGU HB3 1 10 GLA HB2 1 1
100 1 1 1 1 7 CGU HB2 1 7 GLA HB1 1 1
100 1 2 1 1 7 CGU HB3 1 7 GLA HB2 1 1
101 1 1 1 1 7 CGU HB2 1 7 GLA HB1 1 1
101 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
102 1 1 1 1 7 CGU HB2 1 7 GLA HB1 1 1
102 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
103 1 1 1 1 7 CGU HB3 1 7 GLA HB2 1 1
103 1 2 1 1 7 CGU HG 1 7 GLA HG 1 1
104 1 1 1 1 7 CGU HB3 1 7 GLA HB2 1 1
104 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
105 1 1 1 1 7 CGU HG 1 7 GLA HG 1 1
105 1 2 1 1 8 ASN H 1 8 ASN HN 1 1
106 1 1 1 1 8 ASN H 1 8 ASN HN 1 1
106 1 2 1 1 8 ASN HB2 1 8 ASN HB1 1 1
107 1 1 1 1 8 ASN H 1 8 ASN HN 1 1
107 1 2 1 1 8 ASN HB3 1 8 ASN HB2 1 1
108 1 1 1 1 8 ASN H 1 8 ASN HN 1 1
108 1 2 1 1 9 GLN H 1 9 GLN HN 1 1
109 1 1 1 1 8 ASN HA 1 8 ASN HA 1 1
109 1 2 1 1 8 ASN HB2 1 8 ASN HB1 1 1
110 1 1 1 1 8 ASN HA 1 8 ASN HA 1 1
110 1 2 1 1 8 ASN HB3 1 8 ASN HB2 1 1
111 1 1 1 1 8 ASN HA 1 8 ASN HA 1 1
111 1 2 1 1 11 LEU CD1 1 11 LEU CD1 1 1
112 1 1 1 1 8 ASN HA 1 8 ASN HA 1 1
112 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
113 1 1 1 1 8 ASN HA 1 8 ASN HA 1 1
113 1 2 1 1 11 LEU HB3 1 11 LEU HB2 1 1
114 1 1 1 1 8 ASN HB2 1 8 ASN HB1 1 1
114 1 2 1 1 8 ASN ND2 1 8 ASN ND2 1 1
115 1 1 1 1 8 ASN HB2 1 8 ASN HB1 1 1
115 1 2 1 1 9 GLN H 1 9 GLN HN 1 1
116 1 1 1 1 8 ASN HB3 1 8 ASN HB2 1 1
116 1 2 1 1 9 GLN H 1 9 GLN HN 1 1
117 1 1 1 1 8 ASN HB3 1 8 ASN HB2 1 1
117 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
118 1 1 1 1 9 GLN H 1 9 GLN HN 1 1
118 1 2 1 1 9 GLN HA 1 9 GLN HA 1 1
119 1 1 1 1 9 GLN H 1 9 GLN HN 1 1
119 1 2 1 1 9 GLN HB2 1 9 GLN HB1 1 1
120 1 1 1 1 9 GLN H 1 9 GLN HN 1 1
120 1 2 1 1 9 GLN HB3 1 9 GLN HB2 1 1
121 1 1 1 1 9 GLN H 1 9 GLN HN 1 1
121 1 2 1 1 9 GLN HG2 1 9 GLN HG1 1 1
122 1 1 1 1 9 GLN H 1 9 GLN HN 1 1
122 1 2 1 1 9 GLN HG3 1 9 GLN HG2 1 1
123 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
123 1 2 1 1 9 GLN HB2 1 9 GLN HB1 1 1
124 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
124 1 2 1 1 9 GLN HB3 1 9 GLN HB2 1 1
125 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
125 1 2 1 1 9 GLN HG2 1 9 GLN HG1 1 1
126 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
126 1 2 1 1 9 GLN HG3 1 9 GLN HG2 1 1
127 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
127 1 2 1 1 10 CGU H 1 10 GLA HN 1 1
128 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
128 1 2 1 1 12 ILE CD1 1 12 ILE CD1 1 1
129 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
129 1 2 1 1 12 ILE HB 1 12 ILE HB 1 1
130 1 1 1 1 9 GLN HA 1 9 GLN HA 1 1
130 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
131 1 1 1 1 9 GLN HB2 1 9 GLN HB1 1 1
131 1 2 1 1 9 GLN HG2 1 9 GLN HG1 1 1
132 1 1 1 1 9 GLN HB2 1 9 GLN HB1 1 1
132 1 2 1 1 9 GLN HG3 1 9 GLN HG2 1 1
133 1 1 1 1 9 GLN HB2 1 9 GLN HB1 1 1
133 1 2 1 1 10 CGU H 1 10 GLA HN 1 1
134 1 1 1 1 9 GLN HB3 1 9 GLN HB2 1 1
134 1 2 1 1 9 GLN HG2 1 9 GLN HG1 1 1
135 1 1 1 1 9 GLN HB3 1 9 GLN HB2 1 1
135 1 2 1 1 9 GLN HG3 1 9 GLN HG2 1 1
136 1 1 1 1 10 CGU H 1 10 GLA HN 1 1
136 1 2 1 1 10 CGU HA 1 10 GLA HA 1 1
137 1 1 1 1 10 CGU H 1 10 GLA HN 1 1
137 1 2 1 1 10 CGU HB2 1 10 GLA HB1 1 1
138 1 1 1 1 10 CGU H 1 10 GLA HN 1 1
138 1 2 1 1 10 CGU HB3 1 10 GLA HB2 1 1
139 1 1 1 1 10 CGU H 1 10 GLA HN 1 1
139 1 2 1 1 10 CGU HG 1 10 GLA HG 1 1
140 1 1 1 1 10 CGU H 1 10 GLA HN 1 1
140 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
141 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
141 1 2 1 1 10 CGU HB2 1 10 GLA HB1 1 1
142 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
142 1 2 1 1 10 CGU HB3 1 10 GLA HB2 1 1
143 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
143 1 2 1 1 10 CGU HG 1 10 GLA HG 1 1
144 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
144 1 2 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
145 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
145 1 2 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
146 1 1 1 1 10 CGU HA 1 10 GLA HA 1 1
146 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
147 1 1 1 1 10 CGU HB2 1 10 GLA HB1 1 1
147 1 2 1 1 10 CGU HB3 1 10 GLA HB2 1 1
148 1 1 1 1 10 CGU HB2 1 10 GLA HB1 1 1
148 1 2 1 1 10 CGU HG 1 10 GLA HG 1 1
149 1 1 1 1 10 CGU HB2 1 10 GLA HB1 1 1
149 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
150 1 1 1 1 10 CGU HB3 1 10 GLA HB2 1 1
150 1 2 1 1 10 CGU HG 1 10 GLA HG 1 1
151 1 1 1 1 10 CGU HB3 1 10 GLA HB2 1 1
151 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
152 1 1 1 1 10 CGU HG 1 10 GLA HG 1 1
152 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
153 1 1 1 1 10 CGU HG 1 10 GLA HG 1 1
153 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
154 1 1 1 1 10 CGU HG 1 10 GLA HG 1 1
154 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
155 1 1 1 1 11 LEU CD1 1 11 LEU CD1 1 1
155 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
156 1 1 1 1 11 LEU CD1 1 11 LEU CD1 1 1
156 1 2 1 1 11 LEU HA 1 11 LEU HA 1 1
157 1 1 1 1 11 LEU CD1 1 11 LEU CD1 1 1
157 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
158 1 1 1 1 11 LEU CD1 1 11 LEU CD1 1 1
158 1 2 1 1 11 LEU HB3 1 11 LEU HB2 1 1
159 1 1 1 1 11 LEU CD2 1 11 LEU CD2 1 1
159 1 2 1 1 11 LEU HA 1 11 LEU HA 1 1
160 1 1 1 1 11 LEU CD2 1 11 LEU CD2 1 1
160 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
161 1 1 1 1 11 LEU CD2 1 11 LEU CD2 1 1
161 1 2 1 1 11 LEU HB3 1 11 LEU HB2 1 1
162 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
162 1 2 1 1 11 LEU HA 1 11 LEU HA 1 1
163 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
163 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
164 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
164 1 2 1 1 11 LEU HB3 1 11 LEU HB2 1 1
165 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
165 1 2 1 1 11 LEU HG 1 11 LEU HG 1 1
166 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
166 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
167 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
167 1 2 1 1 11 LEU HB2 1 11 LEU HB1 1 1
168 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
168 1 2 1 1 11 LEU HB3 1 11 LEU HB2 1 1
169 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
169 1 2 1 1 11 LEU HG 1 11 LEU HG 1 1
170 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
170 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
171 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
171 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
172 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
172 1 2 1 1 13 ARG H 1 13 ARG+ HN 1 1
173 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
173 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
174 1 1 1 1 11 LEU HB2 1 11 LEU HB1 1 1
174 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
175 1 1 1 1 11 LEU HB3 1 11 LEU HB2 1 1
175 1 2 1 1 11 LEU HG 1 11 LEU HG 1 1
176 1 1 1 1 11 LEU HB3 1 11 LEU HB2 1 1
176 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
177 1 1 1 1 12 ILE CD1 1 12 ILE CD1 1 1
177 1 2 1 1 12 ILE CG2 1 12 ILE CG2 1 1
178 1 1 1 1 12 ILE CD1 1 12 ILE CD1 1 1
178 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
179 1 1 1 1 12 ILE CD1 1 12 ILE CD1 1 1
179 1 2 1 1 12 ILE HA 1 12 ILE HA 1 1
180 1 1 1 1 12 ILE CD1 1 12 ILE CD1 1 1
180 1 2 1 1 12 ILE HB 1 12 ILE HB 1 1
181 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
181 1 2 1 1 12 ILE H 1 12 ILE HN 1 1
182 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
182 1 2 1 1 12 ILE HA 1 12 ILE HA 1 1
183 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
183 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
184 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
184 1 2 1 1 12 ILE HG13 1 12 ILE HG12 1 1
185 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
185 1 2 1 1 13 ARG H 1 13 ARG+ HN 1 1
186 1 1 1 1 12 ILE CG2 1 12 ILE CG2 1 1
186 1 2 1 1 13 ARG HA 1 13 ARG+ HA 1 1
187 1 1 1 1 12 ILE H 1 12 ILE HN 1 1
187 1 2 1 1 12 ILE HA 1 12 ILE HA 1 1
188 1 1 1 1 12 ILE H 1 12 ILE HN 1 1
188 1 2 1 1 12 ILE HB 1 12 ILE HB 1 1
189 1 1 1 1 12 ILE H 1 12 ILE HN 1 1
189 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
190 1 1 1 1 12 ILE H 1 12 ILE HN 1 1
190 1 2 1 1 12 ILE HG13 1 12 ILE HG12 1 1
191 1 1 1 1 12 ILE H 1 12 ILE HN 1 1
191 1 2 1 1 13 ARG H 1 13 ARG+ HN 1 1
192 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
192 1 2 1 1 12 ILE HB 1 12 ILE HB 1 1
193 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
193 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
194 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
194 1 2 1 1 12 ILE HG13 1 12 ILE HG12 1 1
195 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
195 1 2 1 1 13 ARG H 1 13 ARG+ HN 1 1
196 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
196 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
197 1 1 1 1 12 ILE HA 1 12 ILE HA 1 1
197 1 2 1 1 16 SER H 1 16 SER HN 1 1
198 1 1 1 1 12 ILE HB 1 12 ILE HB 1 1
198 1 2 1 1 12 ILE HG12 1 12 ILE HG11 1 1
199 1 1 1 1 12 ILE HB 1 12 ILE HB 1 1
199 1 2 1 1 12 ILE HG13 1 12 ILE HG12 1 1
200 1 1 1 1 12 ILE HG12 1 12 ILE HG11 1 1
200 1 2 1 1 13 ARG H 1 13 ARG+ HN 1 1
201 1 1 1 1 12 ILE HG12 1 12 ILE HG11 1 1
201 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
202 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
202 1 2 1 1 13 ARG HA 1 13 ARG+ HA 1 1
203 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
203 1 2 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
204 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
204 1 2 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
205 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
205 1 2 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
206 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
206 1 2 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
207 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
207 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
208 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
208 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
209 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
209 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
210 1 1 1 1 13 ARG H 1 13 ARG+ HN 1 1
210 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
211 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
211 1 2 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
212 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
212 1 2 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
213 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
213 1 2 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
214 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
214 1 2 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
215 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
215 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
216 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
216 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
217 1 1 1 1 13 ARG HA 1 13 ARG+ HA 1 1
217 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
218 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
218 1 2 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
219 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
219 1 2 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
220 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
220 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
221 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
221 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
222 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
222 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
223 1 1 1 1 13 ARG HB2 1 13 ARG+ HB1 1 1
223 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
224 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
224 1 2 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
225 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
225 1 2 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
226 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
226 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
227 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
227 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
228 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
228 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
229 1 1 1 1 13 ARG HB3 1 13 ARG+ HB2 1 1
229 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
230 1 1 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
230 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
231 1 1 1 1 13 ARG HD2 1 13 ARG+ HD1 1 1
231 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
232 1 1 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
232 1 2 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
233 1 1 1 1 13 ARG HD3 1 13 ARG+ HD2 1 1
233 1 2 1 1 13 ARG HG3 1 13 ARG+ HG2 1 1
234 1 1 1 1 13 ARG HG2 1 13 ARG+ HG1 1 1
234 1 2 1 1 14 CGU H 1 14 GLA HN 1 1
235 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
235 1 2 1 1 14 CGU HA 1 14 GLA HA 1 1
236 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
236 1 2 1 1 14 CGU HB2 1 14 GLA HB1 1 1
237 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
237 1 2 1 1 14 CGU HB3 1 14 GLA HB2 1 1
238 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
238 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
239 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
239 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
240 1 1 1 1 14 CGU H 1 14 GLA HN 1 1
240 1 2 1 1 16 SER H 1 16 SER HN 1 1
241 1 1 1 1 14 CGU HA 1 14 GLA HA 1 1
241 1 2 1 1 14 CGU HB2 1 14 GLA HB1 1 1
242 1 1 1 1 14 CGU HA 1 14 GLA HA 1 1
242 1 2 1 1 14 CGU HB3 1 14 GLA HB2 1 1
243 1 1 1 1 14 CGU HA 1 14 GLA HA 1 1
243 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
244 1 1 1 1 14 CGU HA 1 14 GLA HA 1 1
244 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
245 1 1 1 1 14 CGU HB2 1 14 GLA HB1 1 1
245 1 2 1 1 14 CGU HB3 1 14 GLA HB2 1 1
246 1 1 1 1 14 CGU HB2 1 14 GLA HB1 1 1
246 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
247 1 1 1 1 14 CGU HB2 1 14 GLA HB1 1 1
247 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
248 1 1 1 1 14 CGU HB3 1 14 GLA HB2 1 1
248 1 2 1 1 14 CGU HG 1 14 GLA HG 1 1
249 1 1 1 1 14 CGU HB3 1 14 GLA HB2 1 1
249 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
250 1 1 1 1 14 CGU HG 1 14 GLA HG 1 1
250 1 2 1 1 15 LYS H 1 15 LYS+ HN 1 1
251 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
251 1 2 1 1 15 LYS HA 1 15 LYS+ HA 1 1
252 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
252 1 2 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
253 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
253 1 2 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
254 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
254 1 2 1 1 15 LYS HD2 1 15 LYS+ HD1 1 1
255 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
255 1 2 1 1 15 LYS HD3 1 15 LYS+ HD2 1 1
256 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
256 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
257 1 1 1 1 15 LYS H 1 15 LYS+ HN 1 1
257 1 2 1 1 16 SER H 1 16 SER HN 1 1
258 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
258 1 2 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
259 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
259 1 2 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
260 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
260 1 2 1 1 15 LYS HD2 1 15 LYS+ HD1 1 1
261 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
261 1 2 1 1 15 LYS HD3 1 15 LYS+ HD2 1 1
262 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
262 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
263 1 1 1 1 15 LYS HA 1 15 LYS+ HA 1 1
263 1 2 1 1 16 SER H 1 16 SER HN 1 1
264 1 1 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
264 1 2 1 1 15 LYS HD2 1 15 LYS+ HD1 1 1
265 1 1 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
265 1 2 1 1 15 LYS HD3 1 15 LYS+ HD2 1 1
266 1 1 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
266 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
267 1 1 1 1 15 LYS HB2 1 15 LYS+ HB1 1 1
267 1 2 1 1 16 SER H 1 16 SER HN 1 1
268 1 1 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
268 1 2 1 1 15 LYS HD2 1 15 LYS+ HD1 1 1
269 1 1 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
269 1 2 1 1 15 LYS HD3 1 15 LYS+ HD2 1 1
270 1 1 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
270 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
271 1 1 1 1 15 LYS HB3 1 15 LYS+ HB2 1 1
271 1 2 1 1 16 SER H 1 16 SER HN 1 1
272 1 1 1 1 15 LYS HD2 1 15 LYS+ HD1 1 1
272 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
273 1 1 1 1 15 LYS HD3 1 15 LYS+ HD2 1 1
273 1 2 1 1 15 LYS HG3 1 15 LYS+ HG1 1 1
274 1 1 1 1 16 SER H 1 16 SER HN 1 1
274 1 2 1 1 16 SER HA 1 16 SER HA 1 1
275 1 1 1 1 16 SER H 1 16 SER HN 1 1
275 1 2 1 1 16 SER HB2 1 16 SER HB1 1 1
276 1 1 1 1 16 SER H 1 16 SER HN 1 1
276 1 2 1 1 16 SER HB3 1 16 SER HB2 1 1
277 1 1 1 1 16 SER HA 1 16 SER HA 1 1
277 1 2 1 1 16 SER HB2 1 16 SER HB1 1 1
278 1 1 1 1 16 SER HA 1 16 SER HA 1 1
278 1 2 1 1 16 SER HB3 1 16 SER HB2 1 1
279 1 1 1 1 17 ASN H 1 17 ASN HN 1 1
279 1 2 1 1 17 ASN HB2 1 17 ASN HB1 1 1
280 1 1 1 1 17 ASN H 1 17 ASN HN 1 1
280 1 2 1 1 17 ASN HB3 1 17 ASN HB2 1 1
281 1 1 1 1 17 ASN HB3 1 17 ASN HB2 1 1
281 1 2 1 1 17 ASN ND2 1 17 ASN ND2 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.7 2.2 3.2 1 1
2 1 . . . . . 3.0 2.4 4.1 1 1
3 1 . . . . . 3.0 2.4 4.1 1 1
4 1 . . . . . 3.4 2.7 4.6 1 1
5 1 . . . . . 3.4 2.7 4.6 1 1
6 1 . . . . . 3.1 2.5 3.7 1 1
7 1 . . . . . 3.4 2.7 4.6 1 1
8 1 . . . . . 3.4 2.7 4.6 1 1
9 1 . . . . . 2.8 2.2 3.4 1 1
10 1 . . . . . 2.7 2.2 3.7 1 1
11 1 . . . . . 2.7 2.2 3.7 1 1
12 1 . . . . . 2.8 2.2 3.9 1 1
13 1 . . . . . 2.5 2.0 3.0 1 1
14 1 . . . . . 3.8 3.0 4.6 1 1
15 1 . . . . . 2.3 1.8 3.3 1 1
16 1 . . . . . 2.5 2.0 3.5 1 1
17 1 . . . . . 2.5 2.0 3.5 1 1
18 1 . . . . . 3.0 2.4 3.6 1 1
19 1 . . . . . 2.6 2.1 3.6 1 1
20 1 . . . . . 3.3 2.6 4.5 1 1
21 1 . . . . . 3.7 2.6 4.4 1 1
22 1 . . . . . 2.2 1.8 3.6 1 1
23 1 . . . . . 2.4 1.9 4.3 1 1
24 1 . . . . . 3.2 2.6 4.3 1 1
25 1 . . . . . 4.1 3.3 5.8 1 1
26 1 . . . . . 2.4 1.9 4.3 1 1
27 1 . . . . . 2.9 2.3 4.0 1 1
28 1 . . . . . 2.5 2.0 3.5 1 1
29 1 . . . . . 2.7 2.2 3.2 1 1
30 1 . . . . . 2.7 2.2 3.7 1 1
31 1 . . . . . 2.8 2.2 3.9 1 1
32 1 . . . . . 2.6 2.0 3.6 1 1
33 1 . . . . . 2.7 2.2 3.2 1 1
34 1 . . . . . 2.7 2.2 3.7 1 1
35 1 . . . . . 2.8 2.2 3.9 1 1
36 1 . . . . . 2.4 1.9 2.9 1 1
37 1 . . . . . 3.0 2.4 3.6 1 1
38 1 . . . . . 2.5 2.0 4.0 1 1
39 1 . . . . . 2.4 1.9 3.4 1 1
40 1 . . . . . 2.7 2.2 3.7 1 1
41 1 . . . . . 2.4 1.9 3.4 1 1
42 1 . . . . . 2.8 2.2 3.9 1 1
43 1 . . . . . 3.4 2.7 4.6 1 1
44 1 . . . . . 3.3 2.6 6.0 1 1
45 1 . . . . . 2.4 1.9 4.9 1 1
46 1 . . . . . 3.0 2.4 5.6 1 1
47 1 . . . . . 2.6 2.1 5.1 1 1
48 1 . . . . . 2.9 2.3 5.5 1 1
49 1 . . . . . 2.6 2.1 5.1 1 1
50 1 . . . . . 2.8 2.2 3.4 1 1
51 1 . . . . . 2.5 2.0 3.5 1 1
52 1 . . . . . 2.8 2.2 3.9 1 1
53 1 . . . . . 2.9 2.3 4.0 1 1
54 1 . . . . . 2.6 2.1 3.6 1 1
55 1 . . . . . 3.3 2.6 4.5 1 1
56 1 . . . . . 2.5 2.0 3.5 1 1
57 1 . . . . . 2.4 1.9 3.4 1 1
58 1 . . . . . 3.0 2.4 4.1 1 1
59 1 . . . . . 2.9 2.3 3.5 1 1
60 1 . . . . . 2.8 2.2 3.9 1 1
61 1 . . . . . 2.8 2.2 3.9 1 1
62 1 . . . . . 2.8 2.2 3.9 1 1
63 1 . . . . . 2.8 2.2 3.9 1 1
64 1 . . . . . 3.2 2.6 4.3 1 1
65 1 . . . . . 3.5 2.8 4.7 1 1
66 1 . . . . . 2.6 2.1 3.1 1 1
67 1 . . . . . 2.5 2.0 3.5 1 1
68 1 . . . . . 2.7 2.2 3.7 1 1
69 1 . . . . . 2.8 2.2 3.9 1 1
70 1 . . . . . 2.8 2.2 3.9 1 1
71 1 . . . . . 2.5 2.0 3.0 1 1
72 1 . . . . . 3.7 3.0 5.0 1 1
73 1 . . . . . 3.0 2.4 4.1 1 1
74 1 . . . . . 2.9 2.3 4.0 1 1
75 1 . . . . . 3.4 2.7 4.6 1 1
76 1 . . . . . 3.4 2.7 4.6 1 1
77 1 . . . . . 2.9 2.3 3.6 1 1
78 1 . . . . . 2.6 2.1 4.1 1 1
79 1 . . . . . 2.6 2.1 4.1 1 1
80 1 . . . . . 2.8 2.2 3.9 1 1
81 1 . . . . . 4.1 3.3 5.8 1 1
82 1 . . . . . 2.6 2.1 4.1 1 1
83 1 . . . . . 2.7 2.2 4.2 1 1
84 1 . . . . . 4.6 3.7 6.5 1 1
85 1 . . . . . 3.0 2.4 4.1 1 1
86 1 . . . . . 2.9 2.3 4.0 1 1
87 1 . . . . . 3.0 2.4 4.1 1 1
88 1 . . . . . 3.0 2.4 3.6 1 1
89 1 . . . . . 2.8 2.2 3.9 1 1
90 1 . . . . . 2.7 2.2 3.7 1 1
91 1 . . . . . 2.4 1.9 3.4 1 1
92 1 . . . . . 2.5 2.0 3.0 1 1
93 1 . . . . . 4.4 3.5 5.7 1 1
94 1 . . . . . 2.6 2.1 3.6 1 1
95 1 . . . . . 2.5 2.0 3.5 1 1
96 1 . . . . . 2.6 2.1 3.6 1 1
97 1 . . . . . 2.9 2.3 3.5 1 1
98 1 . . . . . 3.1 2.5 4.2 1 1
99 1 . . . . . 3.1 2.5 4.2 1 1
100 1 . . . . . 3.0 2.4 4.6 1 1
101 1 . . . . . 2.5 2.0 3.5 1 1
102 1 . . . . . 3.3 2.6 4.5 1 1
103 1 . . . . . 2.5 2.0 3.5 1 1
104 1 . . . . . 3.2 2.6 4.3 1 1
105 1 . . . . . 3.9 3.1 5.2 1 1
106 1 . . . . . 2.6 2.1 3.6 1 1
107 1 . . . . . 2.4 1.9 3.4 1 1
108 1 . . . . . 2.6 2.1 3.1 1 1
109 1 . . . . . 3.4 2.7 4.6 1 1
110 1 . . . . . 3.8 3.0 5.1 1 1
111 1 . . . . . 3.6 2.9 4.8 1 1
112 1 . . . . . 3.8 3.0 5.1 1 1
113 1 . . . . . 3.8 3.0 5.1 1 1
114 1 . . . . . 4.1 3.3 5.9 1 1
115 1 . . . . . 3.3 2.6 4.5 1 1
116 1 . . . . . 3.2 2.6 4.3 1 1
117 1 . . . . . 3.7 3.0 5.4 1 1
118 1 . . . . . 2.4 1.9 2.9 1 1
119 1 . . . . . 2.8 2.2 3.9 1 1
120 1 . . . . . 2.4 1.9 3.4 1 1
121 1 . . . . . 2.8 2.2 3.9 1 1
122 1 . . . . . 2.8 2.2 3.9 1 1
123 1 . . . . . 2.8 2.2 3.9 1 1
124 1 . . . . . 2.9 2.3 4.0 1 1
125 1 . . . . . 3.4 2.7 4.6 1 1
126 1 . . . . . 3.4 2.7 4.6 1 1
127 1 . . . . . 3.2 2.6 3.8 1 1
128 1 . . . . . 2.6 2.1 5.1 1 1
129 1 . . . . . 2.5 2.0 3.0 1 1
130 1 . . . . . 2.9 2.3 4.0 1 1
131 1 . . . . . 2.6 2.1 4.1 1 1
132 1 . . . . . 2.6 2.1 4.1 1 1
133 1 . . . . . 2.9 2.3 4.5 1 1
134 1 . . . . . 2.6 2.1 4.1 1 1
135 1 . . . . . 2.6 2.1 4.1 1 1
136 1 . . . . . 4.8 3.8 6.2 1 1
137 1 . . . . . 2.9 2.3 4.0 1 1
138 1 . . . . . 2.9 2.3 4.0 1 1
139 1 . . . . . 3.0 2.4 4.1 1 1
140 1 . . . . . 2.5 2.0 3.0 1 1
141 1 . . . . . 2.5 2.0 3.5 1 1
142 1 . . . . . 2.5 2.0 3.5 1 1
143 1 . . . . . 2.6 2.1 3.6 1 1
144 1 . . . . . 2.7 2.2 3.7 1 1
145 1 . . . . . 2.7 2.2 3.7 1 1
146 1 . . . . . 4.2 3.4 6.0 1 1
147 1 . . . . . 2.7 2.2 4.2 1 1
148 1 . . . . . 2.6 2.1 4.1 1 1
149 1 . . . . . 3.2 2.6 4.3 1 1
150 1 . . . . . 2.6 2.1 4.1 1 1
151 1 . . . . . 3.2 2.6 4.3 1 1
152 1 . . . . . 3.4 2.7 4.6 1 1
153 1 . . . . . 3.7 3.0 4.9 1 1
154 1 . . . . . 2.8 2.2 4.4 1 1
155 1 . . . . . 2.8 2.2 5.4 1 1
156 1 . . . . . 2.7 2.2 5.4 1 1
157 1 . . . . . 2.5 2.0 5.5 1 1
158 1 . . . . . 3.0 2.4 6.1 1 1
159 1 . . . . . 2.7 2.2 5.4 1 1
160 1 . . . . . 2.5 2.0 5.5 1 1
161 1 . . . . . 2.9 2.3 6.0 1 1
162 1 . . . . . 2.6 2.1 3.1 1 1
163 1 . . . . . 3.2 2.6 4.3 1 1
164 1 . . . . . 2.7 2.2 3.7 1 1
165 1 . . . . . 3.4 2.7 4.6 1 1
166 1 . . . . . 2.5 2.0 3.0 1 1
167 1 . . . . . 2.5 2.0 3.5 1 1
168 1 . . . . . 2.4 1.9 3.4 1 1
169 1 . . . . . 2.6 2.1 3.6 1 1
170 1 . . . . . 2.8 2.2 3.4 1 1
171 1 . . . . . 4.2 3.4 6.0 1 1
172 1 . . . . . 3.2 2.6 3.8 1 1
173 1 . . . . . 3.2 2.6 3.8 1 1
174 1 . . . . . 3.3 2.6 4.5 1 1
175 1 . . . . . 2.8 2.2 4.4 1 1
176 1 . . . . . 3.1 2.5 4.2 1 1
177 1 . . . . . 2.9 2.3 5.5 1 1
178 1 . . . . . 3.0 2.4 5.6 1 1
179 1 . . . . . 2.7 2.2 5.2 1 1
180 1 . . . . . 2.5 2.0 5.0 1 1
181 1 . . . . . 3.0 2.4 5.6 1 1
182 1 . . . . . 2.6 2.1 5.1 1 1
183 1 . . . . . 2.5 2.0 5.0 1 1
184 1 . . . . . 2.5 2.0 5.0 1 1
185 1 . . . . . 2.9 2.3 5.5 1 1
186 1 . . . . . 3.7 3.0 6.4 1 1
187 1 . . . . . 2.5 2.0 3.0 1 1
188 1 . . . . . 2.4 1.9 2.9 1 1
189 1 . . . . . 2.5 2.0 3.5 1 1
190 1 . . . . . 2.5 2.0 3.5 1 1
191 1 . . . . . 2.5 2.0 3.0 1 1
192 1 . . . . . 2.4 1.9 2.9 1 1
193 1 . . . . . 2.4 1.9 3.4 1 1
194 1 . . . . . 2.4 1.9 3.4 1 1
195 1 . . . . . 2.9 2.3 3.5 1 1
196 1 . . . . . 3.0 2.4 4.1 1 1
197 1 . . . . . 4.3 3.4 5.6 1 1
198 1 . . . . . 2.3 1.8 3.3 1 1
199 1 . . . . . 2.5 2.0 3.5 1 1
200 1 . . . . . 3.7 3.0 4.9 1 1
201 1 . . . . . 2.7 2.2 4.2 1 1
202 1 . . . . . 2.6 2.1 3.1 1 1
203 1 . . . . . 2.6 2.1 3.6 1 1
204 1 . . . . . 2.6 2.1 3.6 1 1
205 1 . . . . . 2.6 2.1 3.6 1 1
206 1 . . . . . 2.7 2.2 3.7 1 1
207 1 . . . . . 3.1 2.5 4.2 1 1
208 1 . . . . . 3.0 2.4 4.1 1 1
209 1 . . . . . 2.5 2.0 3.0 1 1
210 1 . . . . . 3.7 3.0 4.9 1 1
211 1 . . . . . 2.5 2.0 3.5 1 1
212 1 . . . . . 2.5 2.0 3.5 1 1
213 1 . . . . . 3.2 2.6 4.3 1 1
214 1 . . . . . 3.3 2.6 4.5 1 1
215 1 . . . . . 2.5 2.0 3.5 1 1
216 1 . . . . . 2.7 2.2 3.7 1 1
217 1 . . . . . 3.2 2.6 3.8 1 1
218 1 . . . . . 2.7 2.2 4.2 1 1
219 1 . . . . . 2.6 2.1 4.1 1 1
220 1 . . . . . 2.5 2.0 4.0 1 1
221 1 . . . . . 2.7 2.2 4.2 1 1
222 1 . . . . . 2.7 2.2 3.7 1 1
223 1 . . . . . 3.3 2.6 5.0 1 1
224 1 . . . . . 2.7 2.2 4.2 1 1
225 1 . . . . . 2.6 2.1 4.1 1 1
226 1 . . . . . 2.5 2.0 4.0 1 1
227 1 . . . . . 2.7 2.2 4.2 1 1
228 1 . . . . . 2.9 2.3 4.0 1 1
229 1 . . . . . 3.3 2.6 5.0 1 1
230 1 . . . . . 2.4 1.9 3.9 1 1
231 1 . . . . . 2.4 1.9 3.9 1 1
232 1 . . . . . 2.3 1.8 3.8 1 1
233 1 . . . . . 2.6 2.1 4.1 1 1
234 1 . . . . . 3.9 3.1 5.2 1 1
235 1 . . . . . 2.7 2.2 3.2 1 1
236 1 . . . . . 2.6 2.1 3.6 1 1
237 1 . . . . . 2.7 2.2 3.7 1 1
238 1 . . . . . 2.4 1.9 3.4 1 1
239 1 . . . . . 2.4 1.9 2.9 1 1
240 1 . . . . . 3.3 2.6 4.0 1 1
241 1 . . . . . 2.3 1.8 3.3 1 1
242 1 . . . . . 2.5 2.0 3.5 1 1
243 1 . . . . . 2.4 1.9 3.4 1 1
244 1 . . . . . 3.1 2.5 3.7 1 1
245 1 . . . . . 2.7 2.2 4.2 1 1
246 1 . . . . . 2.5 2.0 4.0 1 1
247 1 . . . . . 3.0 2.4 4.1 1 1
248 1 . . . . . 2.5 2.0 4.0 1 1
249 1 . . . . . 3.2 2.6 4.3 1 1
250 1 . . . . . 3.3 2.6 4.5 1 1
251 1 . . . . . 2.6 2.1 3.1 1 1
252 1 . . . . . 2.8 2.2 3.9 1 1
253 1 . . . . . 2.8 2.2 3.9 1 1
254 1 . . . . . 3.3 2.6 4.5 1 1
255 1 . . . . . 3.3 2.6 4.5 1 1
256 1 . . . . . 3.4 2.7 4.6 1 1
257 1 . . . . . 3.4 2.7 4.1 1 1
258 1 . . . . . 2.6 2.1 3.6 1 1
259 1 . . . . . 2.6 2.1 3.6 1 1
260 1 . . . . . 3.1 2.5 4.2 1 1
261 1 . . . . . 3.1 2.5 4.2 1 1
262 1 . . . . . 2.8 2.2 4.0 1 1
263 1 . . . . . 2.8 2.2 3.4 1 1
264 1 . . . . . 3.2 2.6 4.8 1 1
265 1 . . . . . 3.2 2.6 4.8 1 1
266 1 . . . . . 3.0 2.4 4.6 1 1
267 1 . . . . . 3.1 2.5 4.2 1 1
268 1 . . . . . 3.2 2.6 4.8 1 1
269 1 . . . . . 3.2 2.6 4.8 1 1
270 1 . . . . . 3.0 2.4 4.6 1 1
271 1 . . . . . 3.0 2.4 4.1 1 1
272 1 . . . . . 2.8 2.2 4.4 1 1
273 1 . . . . . 2.8 2.2 4.4 1 1
274 1 . . . . . 2.6 2.1 3.1 1 1
275 1 . . . . . 2.8 2.2 3.9 1 1
276 1 . . . . . 2.9 2.3 4.0 1 1
277 1 . . . . . 3.2 2.6 4.3 1 1
278 1 . . . . . 3.2 2.6 4.3 1 1
279 1 . . . . . 3.7 3.0 4.9 1 1
280 1 . . . . . 2.7 2.2 3.7 1 1
281 1 . . . . . 3.5 2.8 5.2 1 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 12 ILE HA 1 1 12 ILE CA 1 1 12 ILE CB 1 1 12 ILE HB 160.0 200.0 1 12 ILE HA 1 12 ILE CA 1 12 ILE CB 1 12 ILE HB 1 1
2 . 1 1 16 SER N 1 1 16 SER CA 1 1 16 SER CB 1 1 16 SER OG 40.0 80.0 1 16 SER N 1 16 SER CA 1 16 SER CB 1 16 SER OG 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 GLY C C 10.192 0.788 10.077 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C 10.324 1.218 11.518 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H 10.645 3.110 10.801 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY H2 H 9.258 2.954 11.739 1.00 . A A . 1 GLY H2 1 1
1 5 1 1 1 GLY H3 H 10.771 2.975 12.473 1.00 . A A . 1 GLY H3 1 1
1 6 1 1 1 GLY HA2 H 11.288 0.854 11.919 1.00 . A A . 1 GLY HA2 1 1
1 7 1 1 1 GLY HA3 H 9.526 0.739 12.115 1.00 . A A . 1 GLY HA3 1 1
1 8 1 1 1 GLY N N 10.244 2.671 11.641 1.00 . A A . 1 GLY N 1 1
1 9 1 1 1 GLY O O 11.114 0.916 9.266 1.00 . A A . 1 GLY O 1 1
1 10 1 1 2 GLU C C 7.508 0.131 7.807 1.00 . A A . 2 GLU C 1 1
1 11 1 1 2 GLU CA C 8.815 -0.328 8.410 1.00 . A A . 2 GLU CA 1 1
1 12 1 1 2 GLU CB C 8.848 -1.876 8.553 1.00 . A A . 2 GLU CB 1 1
1 13 1 1 2 GLU CD C 10.467 -3.889 7.933 1.00 . A A . 2 GLU CD 1 1
1 14 1 1 2 GLU CG C 10.224 -2.595 8.729 1.00 . A A . 2 GLU CG 1 1
1 15 1 1 2 GLU H H 8.256 0.284 10.453 1.00 . A A . 2 GLU H 1 1
1 16 1 1 2 GLU HA H 9.629 0.022 7.743 1.00 . A A . 2 GLU HA 1 1
1 17 1 1 2 GLU HB2 H 8.172 -2.153 9.403 1.00 . A A . 2 GLU HB2 1 1
1 18 1 1 2 GLU HB3 H 8.331 -2.334 7.675 1.00 . A A . 2 GLU HB3 1 1
1 19 1 1 2 GLU HG2 H 11.044 -1.905 8.467 1.00 . A A . 2 GLU HG2 1 1
1 20 1 1 2 GLU HG3 H 10.396 -2.840 9.791 1.00 . A A . 2 GLU HG3 1 1
1 21 1 1 2 GLU N N 9.020 0.259 9.731 1.00 . A A . 2 GLU N 1 1
1 22 1 1 2 GLU O O 6.646 -0.667 7.425 1.00 . A A . 2 GLU O 1 1
1 23 1 1 2 GLU OE1 O 9.321 -4.507 7.538 1.00 . A A . 2 GLU OE1 1 1
1 24 1 1 2 GLU OE2 O 11.589 -4.312 7.686 1.00 . A A . 2 GLU OE2 1 1
1 25 1 1 3 CGU C C 6.074 2.141 5.703 1.00 . A A . 3 CGU C 1 1
1 26 1 1 3 CGU CA C 6.099 2.025 7.210 1.00 . A A . 3 CGU CA 1 1
1 27 1 1 3 CGU CB C 5.891 3.415 7.881 1.00 . A A . 3 CGU CB 1 1
1 28 1 1 3 CGU CD1 C 7.505 5.226 6.825 1.00 . A A . 3 CGU CD1 1 1
1 29 1 1 3 CGU CD2 C 5.226 5.849 7.455 1.00 . A A . 3 CGU CD2 1 1
1 30 1 1 3 CGU CG C 6.099 4.673 6.980 1.00 . A A . 3 CGU CG 1 1
1 31 1 1 3 CGU H H 8.181 2.050 7.927 1.00 . A A . 3 CGU H 1 1
1 32 1 1 3 CGU HA H 5.270 1.359 7.508 1.00 . A A . 3 CGU HA 1 1
1 33 1 1 3 CGU HB2 H 4.870 3.468 8.314 1.00 . A A . 3 CGU HB2 1 1
1 34 1 1 3 CGU HB3 H 6.560 3.503 8.765 1.00 . A A . 3 CGU HB3 1 1
1 35 1 1 3 CGU HG H 5.836 4.465 5.943 1.00 . A A . 3 CGU HG 1 1
1 36 1 1 3 CGU N N 7.357 1.446 7.679 1.00 . A A . 3 CGU N 1 1
1 37 1 1 3 CGU O O 5.009 2.216 5.079 1.00 . A A . 3 CGU O 1 1
1 38 1 1 3 CGU OE11 O 8.327 4.499 6.229 1.00 . A A . 3 CGU OE11 1 1
1 39 1 1 3 CGU OE12 O 7.802 6.352 7.268 1.00 . A A . 3 CGU OE12 1 1
1 40 1 1 3 CGU OE21 O 5.188 7.001 6.733 1.00 . A A . 3 CGU OE21 1 1
1 41 1 1 3 CGU OE22 O 4.493 5.734 8.594 1.00 . A A . 3 CGU OE22 1 1
1 42 1 1 4 CGU C C 6.490 1.141 3.011 1.00 . A A . 4 CGU C 1 1
1 43 1 1 4 CGU CA C 7.368 2.198 3.638 1.00 . A A . 4 CGU CA 1 1
1 44 1 1 4 CGU CB C 8.853 1.975 3.229 1.00 . A A . 4 CGU CB 1 1
1 45 1 1 4 CGU CD1 C 10.112 4.160 2.429 1.00 . A A . 4 CGU CD1 1 1
1 46 1 1 4 CGU CD2 C 11.191 2.650 4.022 1.00 . A A . 4 CGU CD2 1 1
1 47 1 1 4 CGU CG C 9.824 3.161 3.535 1.00 . A A . 4 CGU CG 1 1
1 48 1 1 4 CGU H H 8.102 2.271 5.715 1.00 . A A . 4 CGU H 1 1
1 49 1 1 4 CGU HA H 7.035 3.181 3.257 1.00 . A A . 4 CGU HA 1 1
1 50 1 1 4 CGU HB2 H 8.917 1.742 2.149 1.00 . A A . 4 CGU HB2 1 1
1 51 1 1 4 CGU HB3 H 9.243 1.064 3.730 1.00 . A A . 4 CGU HB3 1 1
1 52 1 1 4 CGU HG H 9.419 3.813 4.309 1.00 . A A . 4 CGU HG 1 1
1 53 1 1 4 CGU N N 7.254 2.204 5.095 1.00 . A A . 4 CGU N 1 1
1 54 1 1 4 CGU O O 5.582 1.424 2.222 1.00 . A A . 4 CGU O 1 1
1 55 1 1 4 CGU OE11 O 10.700 5.209 2.764 1.00 . A A . 4 CGU OE11 1 1
1 56 1 1 4 CGU OE12 O 9.780 3.924 1.251 1.00 . A A . 4 CGU OE12 1 1
1 57 1 1 4 CGU OE21 O 11.534 1.346 3.840 1.00 . A A . 4 CGU OE21 1 1
1 58 1 1 4 CGU OE22 O 12.058 3.500 4.635 1.00 . A A . 4 CGU OE22 1 1
1 59 1 1 5 LEU C C 4.659 -1.395 3.182 1.00 . A A . 5 LEU C 1 1
1 60 1 1 5 LEU CA C 6.083 -1.236 2.701 1.00 . A A . 5 LEU CA 1 1
1 61 1 1 5 LEU CB C 6.886 -2.552 2.909 1.00 . A A . 5 LEU CB 1 1
1 62 1 1 5 LEU CD1 C 8.909 -3.995 2.432 1.00 . A A . 5 LEU CD1 1 1
1 63 1 1 5 LEU CD2 C 8.726 -1.765 1.291 1.00 . A A . 5 LEU CD2 1 1
1 64 1 1 5 LEU CG C 8.400 -2.553 2.571 1.00 . A A . 5 LEU CG 1 1
1 65 1 1 5 LEU H H 7.441 -0.259 4.139 1.00 . A A . 5 LEU H 1 1
1 66 1 1 5 LEU HA H 6.019 -1.010 1.621 1.00 . A A . 5 LEU HA 1 1
1 67 1 1 5 LEU HB2 H 6.768 -2.877 3.963 1.00 . A A . 5 LEU HB2 1 1
1 68 1 1 5 LEU HB3 H 6.398 -3.354 2.317 1.00 . A A . 5 LEU HB3 1 1
1 69 1 1 5 LEU HD11 H 8.731 -4.584 3.352 1.00 . A A . 5 LEU HD11 1 1
1 70 1 1 5 LEU HD12 H 8.419 -4.535 1.600 1.00 . A A . 5 LEU HD12 1 1
1 71 1 1 5 LEU HD13 H 9.999 -4.027 2.245 1.00 . A A . 5 LEU HD13 1 1
1 72 1 1 5 LEU HD21 H 8.158 -2.133 0.416 1.00 . A A . 5 LEU HD21 1 1
1 73 1 1 5 LEU HD22 H 8.486 -0.691 1.410 1.00 . A A . 5 LEU HD22 1 1
1 74 1 1 5 LEU HD23 H 9.801 -1.812 1.038 1.00 . A A . 5 LEU HD23 1 1
1 75 1 1 5 LEU HG H 8.945 -2.081 3.416 1.00 . A A . 5 LEU HG 1 1
1 76 1 1 5 LEU N N 6.746 -0.116 3.365 1.00 . A A . 5 LEU N 1 1
1 77 1 1 5 LEU O O 3.770 -1.839 2.449 1.00 . A A . 5 LEU O 1 1
1 78 1 1 6 GLN C C 2.155 -0.250 4.068 1.00 . A A . 6 GLN C 1 1
1 79 1 1 6 GLN CA C 3.076 -1.014 4.989 1.00 . A A . 6 GLN CA 1 1
1 80 1 1 6 GLN CB C 3.122 -0.358 6.386 1.00 . A A . 6 GLN CB 1 1
1 81 1 1 6 GLN CD C 2.735 -2.204 8.278 1.00 . A A . 6 GLN CD 1 1
1 82 1 1 6 GLN CG C 3.683 -1.243 7.549 1.00 . A A . 6 GLN CG 1 1
1 83 1 1 6 GLN H H 5.274 -0.850 5.042 1.00 . A A . 6 GLN H 1 1
1 84 1 1 6 GLN HA H 2.687 -2.046 5.071 1.00 . A A . 6 GLN HA 1 1
1 85 1 1 6 GLN HB2 H 3.725 0.570 6.325 1.00 . A A . 6 GLN HB2 1 1
1 86 1 1 6 GLN HB3 H 2.098 -0.022 6.653 1.00 . A A . 6 GLN HB3 1 1
1 87 1 1 6 GLN HE21 H 3.891 -2.243 9.874 1.00 . A A . 6 GLN HE21 1 1
1 88 1 1 6 GLN HE22 H 2.349 -3.266 9.894 1.00 . A A . 6 GLN HE22 1 1
1 89 1 1 6 GLN HG2 H 4.500 -1.890 7.179 1.00 . A A . 6 GLN HG2 1 1
1 90 1 1 6 GLN HG3 H 4.162 -0.606 8.315 1.00 . A A . 6 GLN HG3 1 1
1 91 1 1 6 GLN N N 4.433 -1.067 4.451 1.00 . A A . 6 GLN N 1 1
1 92 1 1 6 GLN NE2 N 3.018 -2.608 9.490 1.00 . A A . 6 GLN NE2 1 1
1 93 1 1 6 GLN O O 0.975 -0.575 3.903 1.00 . A A . 6 GLN O 1 1
1 94 1 1 6 GLN OE1 O 1.700 -2.586 7.754 1.00 . A A . 6 GLN OE1 1 1
1 95 1 1 7 CGU C C 1.719 1.234 1.210 1.00 . A A . 7 CGU C 1 1
1 96 1 1 7 CGU CA C 1.881 1.699 2.638 1.00 . A A . 7 CGU CA 1 1
1 97 1 1 7 CGU CB C 2.522 3.118 2.670 1.00 . A A . 7 CGU CB 1 1
1 98 1 1 7 CGU CD1 C 1.028 3.858 4.725 1.00 . A A . 7 CGU CD1 1 1
1 99 1 1 7 CGU CD2 C 2.703 5.395 3.825 1.00 . A A . 7 CGU CD2 1 1
1 100 1 1 7 CGU CG C 2.367 3.905 4.012 1.00 . A A . 7 CGU CG 1 1
1 101 1 1 7 CGU H H 3.741 0.893 3.502 1.00 . A A . 7 CGU H 1 1
1 102 1 1 7 CGU HA H 0.874 1.747 3.092 1.00 . A A . 7 CGU HA 1 1
1 103 1 1 7 CGU HB2 H 2.102 3.738 1.855 1.00 . A A . 7 CGU HB2 1 1
1 104 1 1 7 CGU HB3 H 3.603 3.044 2.429 1.00 . A A . 7 CGU HB3 1 1
1 105 1 1 7 CGU HG H 3.032 3.509 4.780 1.00 . A A . 7 CGU HG 1 1
1 106 1 1 7 CGU N N 2.699 0.777 3.421 1.00 . A A . 7 CGU N 1 1
1 107 1 1 7 CGU O O 0.687 1.472 0.566 1.00 . A A . 7 CGU O 1 1
1 108 1 1 7 CGU OE11 O 0.013 3.987 4.011 1.00 . A A . 7 CGU OE11 1 1
1 109 1 1 7 CGU OE12 O 0.965 3.689 5.958 1.00 . A A . 7 CGU OE12 1 1
1 110 1 1 7 CGU OE21 O 1.710 6.325 3.852 1.00 . A A . 7 CGU OE21 1 1
1 111 1 1 7 CGU OE22 O 3.992 5.782 3.632 1.00 . A A . 7 CGU OE22 1 1
1 112 1 1 8 ASN C C 1.641 -0.771 -1.088 1.00 . A A . 8 ASN C 1 1
1 113 1 1 8 ASN CA C 2.745 0.195 -0.730 1.00 . A A . 8 ASN CA 1 1
1 114 1 1 8 ASN CB C 4.131 -0.406 -1.116 1.00 . A A . 8 ASN CB 1 1
1 115 1 1 8 ASN CG C 5.072 0.480 -1.939 1.00 . A A . 8 ASN CG 1 1
1 116 1 1 8 ASN H H 3.476 0.220 1.355 1.00 . A A . 8 ASN H 1 1
1 117 1 1 8 ASN HA H 2.583 1.132 -1.295 1.00 . A A . 8 ASN HA 1 1
1 118 1 1 8 ASN HB2 H 4.665 -0.731 -0.205 1.00 . A A . 8 ASN HB2 1 1
1 119 1 1 8 ASN HB3 H 3.984 -1.339 -1.695 1.00 . A A . 8 ASN HB3 1 1
1 120 1 1 8 ASN HD21 H 4.451 2.120 -1.000 1.00 . A A . 8 ASN HD21 1 1
1 121 1 1 8 ASN HD22 H 5.708 2.271 -2.346 1.00 . A A . 8 ASN HD22 1 1
1 122 1 1 8 ASN N N 2.720 0.525 0.696 1.00 . A A . 8 ASN N 1 1
1 123 1 1 8 ASN ND2 N 5.112 1.761 -1.688 1.00 . A A . 8 ASN ND2 1 1
1 124 1 1 8 ASN O O 1.028 -0.702 -2.157 1.00 . A A . 8 ASN O 1 1
1 125 1 1 8 ASN OD1 O 5.787 0.028 -2.821 1.00 . A A . 8 ASN OD1 1 1
1 126 1 1 9 GLN C C -1.010 -2.151 -0.362 1.00 . A A . 9 GLN C 1 1
1 127 1 1 9 GLN CA C 0.375 -2.750 -0.443 1.00 . A A . 9 GLN CA 1 1
1 128 1 1 9 GLN CB C 0.548 -3.886 0.588 1.00 . A A . 9 GLN CB 1 1
1 129 1 1 9 GLN CD C -0.687 -4.601 2.844 1.00 . A A . 9 GLN CD 1 1
1 130 1 1 9 GLN CG C 0.132 -3.566 2.062 1.00 . A A . 9 GLN CG 1 1
1 131 1 1 9 GLN H H 2.001 -1.756 0.657 1.00 . A A . 9 GLN H 1 1
1 132 1 1 9 GLN HA H 0.513 -3.149 -1.465 1.00 . A A . 9 GLN HA 1 1
1 133 1 1 9 GLN HB2 H -0.026 -4.770 0.246 1.00 . A A . 9 GLN HB2 1 1
1 134 1 1 9 GLN HB3 H 1.611 -4.211 0.579 1.00 . A A . 9 GLN HB3 1 1
1 135 1 1 9 GLN HE21 H 0.752 -5.942 2.705 1.00 . A A . 9 GLN HE21 1 1
1 136 1 1 9 GLN HE22 H -0.812 -6.433 3.561 1.00 . A A . 9 GLN HE22 1 1
1 137 1 1 9 GLN HG2 H 1.030 -3.398 2.686 1.00 . A A . 9 GLN HG2 1 1
1 138 1 1 9 GLN HG3 H -0.416 -2.606 2.106 1.00 . A A . 9 GLN HG3 1 1
1 139 1 1 9 GLN N N 1.406 -1.740 -0.206 1.00 . A A . 9 GLN N 1 1
1 140 1 1 9 GLN NE2 N -0.176 -5.779 3.100 1.00 . A A . 9 GLN NE2 1 1
1 141 1 1 9 GLN O O -1.952 -2.598 -1.024 1.00 . A A . 9 GLN O 1 1
1 142 1 1 9 GLN OE1 O -1.824 -4.356 3.214 1.00 . A A . 9 GLN OE1 1 1
1 143 1 1 10 CGU C C -2.602 0.432 -0.814 1.00 . A A . 10 CGU C 1 1
1 144 1 1 10 CGU CA C -2.397 -0.336 0.471 1.00 . A A . 10 CGU CA 1 1
1 145 1 1 10 CGU CB C -2.432 0.638 1.685 1.00 . A A . 10 CGU CB 1 1
1 146 1 1 10 CGU CD1 C -2.928 3.141 2.406 1.00 . A A . 10 CGU CD1 1 1
1 147 1 1 10 CGU CD2 C -4.655 1.852 1.255 1.00 . A A . 10 CGU CD2 1 1
1 148 1 1 10 CGU CG C -3.133 2.016 1.409 1.00 . A A . 10 CGU CG 1 1
1 149 1 1 10 CGU H H -0.307 -0.831 1.013 1.00 . A A . 10 CGU H 1 1
1 150 1 1 10 CGU HA H -3.233 -1.055 0.571 1.00 . A A . 10 CGU HA 1 1
1 151 1 1 10 CGU HB2 H -1.424 0.855 2.086 1.00 . A A . 10 CGU HB2 1 1
1 152 1 1 10 CGU HB3 H -2.961 0.150 2.532 1.00 . A A . 10 CGU HB3 1 1
1 153 1 1 10 CGU HG H -2.747 2.465 0.494 1.00 . A A . 10 CGU HG 1 1
1 154 1 1 10 CGU N N -1.144 -1.088 0.436 1.00 . A A . 10 CGU N 1 1
1 155 1 1 10 CGU O O -3.722 0.822 -1.167 1.00 . A A . 10 CGU O 1 1
1 156 1 1 10 CGU OE11 O -2.846 4.295 1.937 1.00 . A A . 10 CGU OE11 1 1
1 157 1 1 10 CGU OE12 O -2.867 2.909 3.630 1.00 . A A . 10 CGU OE12 1 1
1 158 1 1 10 CGU OE21 O -5.308 0.883 1.951 1.00 . A A . 10 CGU OE21 1 1
1 159 1 1 10 CGU OE22 O -5.346 2.678 0.424 1.00 . A A . 10 CGU OE22 1 1
1 160 1 1 11 LEU C C -2.077 0.315 -3.894 1.00 . A A . 11 LEU C 1 1
1 161 1 1 11 LEU CA C -1.606 1.306 -2.852 1.00 . A A . 11 LEU CA 1 1
1 162 1 1 11 LEU CB C -0.240 1.927 -3.262 1.00 . A A . 11 LEU CB 1 1
1 163 1 1 11 LEU CD1 C -0.878 4.210 -4.262 1.00 . A A . 11 LEU CD1 1 1
1 164 1 1 11 LEU CD2 C 1.234 3.058 -4.988 1.00 . A A . 11 LEU CD2 1 1
1 165 1 1 11 LEU CG C -0.210 2.848 -4.514 1.00 . A A . 11 LEU CG 1 1
1 166 1 1 11 LEU H H -0.586 0.493 -1.074 1.00 . A A . 11 LEU H 1 1
1 167 1 1 11 LEU HA H -2.387 2.086 -2.813 1.00 . A A . 11 LEU HA 1 1
1 168 1 1 11 LEU HB2 H 0.157 2.501 -2.402 1.00 . A A . 11 LEU HB2 1 1
1 169 1 1 11 LEU HB3 H 0.491 1.108 -3.422 1.00 . A A . 11 LEU HB3 1 1
1 170 1 1 11 LEU HD11 H -0.653 4.585 -3.246 1.00 . A A . 11 LEU HD11 1 1
1 171 1 1 11 LEU HD12 H -0.515 4.985 -4.961 1.00 . A A . 11 LEU HD12 1 1
1 172 1 1 11 LEU HD13 H -1.979 4.161 -4.358 1.00 . A A . 11 LEU HD13 1 1
1 173 1 1 11 LEU HD21 H 1.949 3.120 -4.145 1.00 . A A . 11 LEU HD21 1 1
1 174 1 1 11 LEU HD22 H 1.573 2.233 -5.642 1.00 . A A . 11 LEU HD22 1 1
1 175 1 1 11 LEU HD23 H 1.343 3.990 -5.576 1.00 . A A . 11 LEU HD23 1 1
1 176 1 1 11 LEU HG H -0.766 2.333 -5.325 1.00 . A A . 11 LEU HG 1 1
1 177 1 1 11 LEU N N -1.510 0.706 -1.520 1.00 . A A . 11 LEU N 1 1
1 178 1 1 11 LEU O O -2.704 0.679 -4.893 1.00 . A A . 11 LEU O 1 1
1 179 1 1 12 ILE C C -3.850 -2.180 -4.249 1.00 . A A . 12 ILE C 1 1
1 180 1 1 12 ILE CA C -2.366 -2.024 -4.486 1.00 . A A . 12 ILE CA 1 1
1 181 1 1 12 ILE CB C -1.585 -3.386 -4.282 1.00 . A A . 12 ILE CB 1 1
1 182 1 1 12 ILE CD1 C 0.741 -4.601 -4.523 1.00 . A A . 12 ILE CD1 1 1
1 183 1 1 12 ILE CG1 C -0.036 -3.272 -4.462 1.00 . A A . 12 ILE CG1 1 1
1 184 1 1 12 ILE CG2 C -2.101 -4.529 -5.209 1.00 . A A . 12 ILE CG2 1 1
1 185 1 1 12 ILE H H -1.205 -1.164 -2.812 1.00 . A A . 12 ILE H 1 1
1 186 1 1 12 ILE HA H -2.244 -1.710 -5.539 1.00 . A A . 12 ILE HA 1 1
1 187 1 1 12 ILE HB H -1.763 -3.701 -3.232 1.00 . A A . 12 ILE HB 1 1
1 188 1 1 12 ILE HD11 H 0.245 -5.354 -5.162 1.00 . A A . 12 ILE HD11 1 1
1 189 1 1 12 ILE HD12 H 1.754 -4.453 -4.941 1.00 . A A . 12 ILE HD12 1 1
1 190 1 1 12 ILE HD13 H 0.867 -5.050 -3.520 1.00 . A A . 12 ILE HD13 1 1
1 191 1 1 12 ILE HG12 H 0.195 -2.647 -5.349 1.00 . A A . 12 ILE HG12 1 1
1 192 1 1 12 ILE HG13 H 0.390 -2.706 -3.612 1.00 . A A . 12 ILE HG13 1 1
1 193 1 1 12 ILE HG21 H -3.204 -4.597 -5.219 1.00 . A A . 12 ILE HG21 1 1
1 194 1 1 12 ILE HG22 H -1.827 -4.386 -6.270 1.00 . A A . 12 ILE HG22 1 1
1 195 1 1 12 ILE HG23 H -1.719 -5.520 -4.902 1.00 . A A . 12 ILE HG23 1 1
1 196 1 1 12 ILE N N -1.814 -0.964 -3.645 1.00 . A A . 12 ILE N 1 1
1 197 1 1 12 ILE O O -4.617 -2.587 -5.127 1.00 . A A . 12 ILE O 1 1
1 198 1 1 13 ARG C C -6.429 -0.709 -3.494 1.00 . A A . 13 ARG C 1 1
1 199 1 1 13 ARG CA C -5.712 -1.786 -2.717 1.00 . A A . 13 ARG CA 1 1
1 200 1 1 13 ARG CB C -5.853 -1.567 -1.186 1.00 . A A . 13 ARG CB 1 1
1 201 1 1 13 ARG CD C -4.719 -3.667 -0.199 1.00 . A A . 13 ARG CD 1 1
1 202 1 1 13 ARG CG C -6.030 -2.900 -0.393 1.00 . A A . 13 ARG CG 1 1
1 203 1 1 13 ARG CZ C -5.523 -5.671 1.065 1.00 . A A . 13 ARG CZ 1 1
1 204 1 1 13 ARG H H -3.553 -1.546 -2.336 1.00 . A A . 13 ARG H 1 1
1 205 1 1 13 ARG HA H -6.161 -2.761 -2.985 1.00 . A A . 13 ARG HA 1 1
1 206 1 1 13 ARG HB2 H -4.943 -1.067 -0.800 1.00 . A A . 13 ARG HB2 1 1
1 207 1 1 13 ARG HB3 H -6.676 -0.866 -0.947 1.00 . A A . 13 ARG HB3 1 1
1 208 1 1 13 ARG HD2 H -4.050 -3.520 -1.072 1.00 . A A . 13 ARG HD2 1 1
1 209 1 1 13 ARG HD3 H -4.176 -3.290 0.692 1.00 . A A . 13 ARG HD3 1 1
1 210 1 1 13 ARG HE H -4.871 -5.723 -0.843 1.00 . A A . 13 ARG HE 1 1
1 211 1 1 13 ARG HG2 H -6.471 -2.678 0.595 1.00 . A A . 13 ARG HG2 1 1
1 212 1 1 13 ARG HG3 H -6.770 -3.545 -0.909 1.00 . A A . 13 ARG HG3 1 1
1 213 1 1 13 ARG HH11 H -5.399 -4.073 2.162 1.00 . A A . 13 ARG HH11 1 1
1 214 1 1 13 ARG HH12 H -6.107 -5.580 2.959 1.00 . A A . 13 ARG HH12 1 1
1 215 1 1 13 ARG HH21 H -5.676 -7.308 0.076 1.00 . A A . 13 ARG HH21 1 1
1 216 1 1 13 ARG HH22 H -6.187 -7.361 1.853 1.00 . A A . 13 ARG HH22 1 1
1 217 1 1 13 ARG N N -4.287 -1.816 -3.048 1.00 . A A . 13 ARG N 1 1
1 218 1 1 13 ARG NE N -5.040 -5.109 -0.034 1.00 . A A . 13 ARG NE 1 1
1 219 1 1 13 ARG NH1 N -5.701 -5.047 2.192 1.00 . A A . 13 ARG NH1 1 1
1 220 1 1 13 ARG NH2 N -5.834 -6.918 1.007 1.00 . A A . 13 ARG NH2 1 1
1 221 1 1 13 ARG O O -7.587 -0.853 -3.896 1.00 . A A . 13 ARG O 1 1
1 222 1 1 14 CGU C C -6.449 1.386 -5.824 1.00 . A A . 14 CGU C 1 1
1 223 1 1 14 CGU CA C -6.357 1.583 -4.330 1.00 . A A . 14 CGU CA 1 1
1 224 1 1 14 CGU CB C -5.526 2.857 -3.998 1.00 . A A . 14 CGU CB 1 1
1 225 1 1 14 CGU CD1 C -6.814 3.682 -1.839 1.00 . A A . 14 CGU CD1 1 1
1 226 1 1 14 CGU CD2 C -4.520 4.427 -2.240 1.00 . A A . 14 CGU CD2 1 1
1 227 1 1 14 CGU CG C -5.505 3.272 -2.491 1.00 . A A . 14 CGU CG 1 1
1 228 1 1 14 CGU H H -4.764 0.445 -3.320 1.00 . A A . 14 CGU H 1 1
1 229 1 1 14 CGU HA H -7.383 1.711 -3.942 1.00 . A A . 14 CGU HA 1 1
1 230 1 1 14 CGU HB2 H -4.481 2.722 -4.336 1.00 . A A . 14 CGU HB2 1 1
1 231 1 1 14 CGU HB3 H -5.898 3.714 -4.596 1.00 . A A . 14 CGU HB3 1 1
1 232 1 1 14 CGU HG H -5.204 2.438 -1.858 1.00 . A A . 14 CGU HG 1 1
1 233 1 1 14 CGU N N -5.754 0.423 -3.677 1.00 . A A . 14 CGU N 1 1
1 234 1 1 14 CGU O O -7.279 1.990 -6.512 1.00 . A A . 14 CGU O 1 1
1 235 1 1 14 CGU OE11 O -7.118 4.891 -1.913 1.00 . A A . 14 CGU OE11 1 1
1 236 1 1 14 CGU OE12 O -7.526 2.845 -1.253 1.00 . A A . 14 CGU OE12 1 1
1 237 1 1 14 CGU OE21 O -3.591 4.324 -1.251 1.00 . A A . 14 CGU OE21 1 1
1 238 1 1 14 CGU OE22 O -4.576 5.551 -3.003 1.00 . A A . 14 CGU OE22 1 1
1 239 1 1 15 LYS C C -7.071 -0.295 -8.118 1.00 . A A . 15 LYS C 1 1
1 240 1 1 15 LYS CA C -5.668 0.149 -7.766 1.00 . A A . 15 LYS CA 1 1
1 241 1 1 15 LYS CB C -4.651 -0.988 -8.058 1.00 . A A . 15 LYS CB 1 1
1 242 1 1 15 LYS CD C -2.743 0.675 -8.683 1.00 . A A . 15 LYS CD 1 1
1 243 1 1 15 LYS CE C -2.978 1.921 -7.819 1.00 . A A . 15 LYS CE 1 1
1 244 1 1 15 LYS CG C -3.165 -0.579 -7.914 1.00 . A A . 15 LYS CG 1 1
1 245 1 1 15 LYS H H -4.791 0.210 -5.741 1.00 . A A . 15 LYS H 1 1
1 246 1 1 15 LYS HA H -5.440 1.030 -8.393 1.00 . A A . 15 LYS HA 1 1
1 247 1 1 15 LYS HB2 H -4.866 -1.855 -7.395 1.00 . A A . 15 LYS HB2 1 1
1 248 1 1 15 LYS HB3 H -4.818 -1.379 -9.085 1.00 . A A . 15 LYS HB3 1 1
1 249 1 1 15 LYS HD2 H -1.666 0.600 -8.955 1.00 . A A . 15 LYS HD2 1 1
1 250 1 1 15 LYS HD3 H -3.296 0.734 -9.641 1.00 . A A . 15 LYS HD3 1 1
1 251 1 1 15 LYS HE2 H -4.053 2.018 -7.559 1.00 . A A . 15 LYS HE2 1 1
1 252 1 1 15 LYS HE3 H -2.439 1.846 -6.852 1.00 . A A . 15 LYS HE3 1 1
1 253 1 1 15 LYS HG2 H -2.910 -0.475 -6.841 1.00 . A A . 15 LYS HG2 1 1
1 254 1 1 15 LYS HG3 H -2.511 -1.400 -8.286 1.00 . A A . 15 LYS HG3 1 1
1 255 1 1 15 LYS HZ1 H -1.826 2.835 -9.262 1.00 . A A . 15 LYS HZ1 1 1
1 256 1 1 15 LYS HZ2 H -3.318 3.568 -9.009 1.00 . A A . 15 LYS HZ2 1 1
1 257 1 1 15 LYS HZ3 H -2.079 3.774 -7.891 1.00 . A A . 15 LYS HZ3 1 1
1 258 1 1 15 LYS N N -5.562 0.553 -6.364 1.00 . A A . 15 LYS N 1 1
1 259 1 1 15 LYS NZ N -2.515 3.114 -8.550 1.00 . A A . 15 LYS NZ 1 1
1 260 1 1 15 LYS O O -7.474 -0.304 -9.285 1.00 . A A . 15 LYS O 1 1
1 261 1 1 16 SER C C -9.970 0.029 -8.035 1.00 . A A . 16 SER C 1 1
1 262 1 1 16 SER CA C -9.228 -1.070 -7.310 1.00 . A A . 16 SER CA 1 1
1 263 1 1 16 SER CB C -9.910 -1.400 -5.958 1.00 . A A . 16 SER CB 1 1
1 264 1 1 16 SER H H -7.355 -0.784 -6.167 1.00 . A A . 16 SER H 1 1
1 265 1 1 16 SER HA H -9.244 -1.953 -7.988 1.00 . A A . 16 SER HA 1 1
1 266 1 1 16 SER HB2 H -10.968 -1.702 -6.080 1.00 . A A . 16 SER HB2 1 1
1 267 1 1 16 SER HB3 H -9.428 -2.239 -5.420 1.00 . A A . 16 SER HB3 1 1
1 268 1 1 16 SER HG H -10.453 -0.489 -4.324 1.00 . A A . 16 SER HG 1 1
1 269 1 1 16 SER N N -7.825 -0.716 -7.104 1.00 . A A . 16 SER N 1 1
1 270 1 1 16 SER O O -9.469 1.140 -8.230 1.00 . A A . 16 SER O 1 1
1 271 1 1 16 SER OG O -9.908 -0.245 -5.077 1.00 . A A . 16 SER OG 1 1
1 272 1 1 17 ASN C C -12.946 1.407 -7.965 1.00 . A A . 17 ASN C 1 1
1 273 1 1 17 ASN CA C -12.075 0.753 -9.013 1.00 . A A . 17 ASN CA 1 1
1 274 1 1 17 ASN CB C -12.942 0.101 -10.129 1.00 . A A . 17 ASN CB 1 1
1 275 1 1 17 ASN CG C -13.001 -1.430 -10.154 1.00 . A A . 17 ASN CG 1 1
1 276 1 1 17 ASN H H -11.539 -1.248 -8.260 1.00 . A A . 17 ASN H 1 1
1 277 1 1 17 ASN HA H -11.438 1.545 -9.448 1.00 . A A . 17 ASN HA 1 1
1 278 1 1 17 ASN HB2 H -13.977 0.489 -10.090 1.00 . A A . 17 ASN HB2 1 1
1 279 1 1 17 ASN HB3 H -12.567 0.421 -11.121 1.00 . A A . 17 ASN HB3 1 1
1 280 1 1 17 ASN HD21 H -11.435 -1.530 -11.378 1.00 . A A . 17 ASN HD21 1 1
1 281 1 1 17 ASN HD22 H -12.217 -3.094 -10.781 1.00 . A A . 17 ASN HD22 1 1
1 282 1 1 17 ASN N N -11.212 -0.261 -8.414 1.00 . A A . 17 ASN N 1 1
1 283 1 1 17 ASN ND2 N -12.147 -2.080 -10.899 1.00 . A A . 17 ASN ND2 1 1
1 284 1 1 17 ASN O O -13.125 2.633 -7.954 1.00 . A A . 17 ASN O 1 1
1 285 1 1 17 ASN OD1 O -13.809 -2.063 -9.491 1.00 . A A . 17 ASN OD1 1 1
1 286 1 1 18 NH2 HN1 H -14.433 0.707 -6.715 1.00 . A A . 18 NH2 HN1 1 1
1 287 1 1 18 NH2 HN2 H -13.056 -0.382 -7.003 1.00 . A A . 18 NH2 HN2 1 1
1 288 1 1 18 NH2 N N -13.449 0.589 -7.049 1.00 . A A . 18 NH2 N 1 1
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