NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
393638 |
1qqv   |
4428 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 1121 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1qqv
# This FRED archive file contains, for PDB entry <1qqv>:
#
# - 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_1qqv
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1qqv
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 7600.58
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 $VILLIN_HEADPIECE_DOMAIN A . 1 1
stop_
save_
save_VILLIN_HEADPIECE_DOMAIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "VILLIN HEADPIECE DOMAIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PTKLETFPLDVLVNTAAEDLPRGVDPSRKENHLSDEDFKAVFGMTRSAFANLPLWKQQNLKKEKGLF
_Entity.Number_of_monomers 67
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 PRO . 1 1
2 THR . 1 1
3 LYS . 1 1
4 LEU . 1 1
5 GLU . 1 1
6 THR . 1 1
7 PHE . 1 1
8 PRO . 1 1
9 LEU . 1 1
10 ASP . 1 1
11 VAL . 1 1
12 LEU . 1 1
13 VAL . 1 1
14 ASN . 1 1
15 THR . 1 1
16 ALA . 1 1
17 ALA . 1 1
18 GLU . 1 1
19 ASP . 1 1
20 LEU . 1 1
21 PRO . 1 1
22 ARG . 1 1
23 GLY . 1 1
24 VAL . 1 1
25 ASP . 1 1
26 PRO . 1 1
27 SER . 1 1
28 ARG . 1 1
29 LYS . 1 1
30 GLU . 1 1
31 ASN . 1 1
32 HIS . 1 1
33 LEU . 1 1
34 SER . 1 1
35 ASP . 1 1
36 GLU . 1 1
37 ASP . 1 1
38 PHE . 1 1
39 LYS . 1 1
40 ALA . 1 1
41 VAL . 1 1
42 PHE . 1 1
43 GLY . 1 1
44 MET . 1 1
45 THR . 1 1
46 ARG . 1 1
47 SER . 1 1
48 ALA . 1 1
49 PHE . 1 1
50 ALA . 1 1
51 ASN . 1 1
52 LEU . 1 1
53 PRO . 1 1
54 LEU . 1 1
55 TRP . 1 1
56 LYS . 1 1
57 GLN . 1 1
58 GLN . 1 1
59 ASN . 1 1
60 LEU . 1 1
61 LYS . 1 1
62 LYS . 1 1
63 GLU . 1 1
64 LYS . 1 1
65 GLY . 1 1
66 LEU . 1 1
67 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
PRO 1 1 1 1
THR 2 2 1 1
LYS 3 3 1 1
LEU 4 4 1 1
GLU 5 5 1 1
THR 6 6 1 1
PHE 7 7 1 1
PRO 8 8 1 1
LEU 9 9 1 1
ASP 10 10 1 1
VAL 11 11 1 1
LEU 12 12 1 1
VAL 13 13 1 1
ASN 14 14 1 1
THR 15 15 1 1
ALA 16 16 1 1
ALA 17 17 1 1
GLU 18 18 1 1
ASP 19 19 1 1
LEU 20 20 1 1
PRO 21 21 1 1
ARG 22 22 1 1
GLY 23 23 1 1
VAL 24 24 1 1
ASP 25 25 1 1
PRO 26 26 1 1
SER 27 27 1 1
ARG 28 28 1 1
LYS 29 29 1 1
GLU 30 30 1 1
ASN 31 31 1 1
HIS 32 32 1 1
LEU 33 33 1 1
SER 34 34 1 1
ASP 35 35 1 1
GLU 36 36 1 1
ASP 37 37 1 1
PHE 38 38 1 1
LYS 39 39 1 1
ALA 40 40 1 1
VAL 41 41 1 1
PHE 42 42 1 1
GLY 43 43 1 1
MET 44 44 1 1
THR 45 45 1 1
ARG 46 46 1 1
SER 47 47 1 1
ALA 48 48 1 1
PHE 49 49 1 1
ALA 50 50 1 1
ASN 51 51 1 1
LEU 52 52 1 1
PRO 53 53 1 1
LEU 54 54 1 1
TRP 55 55 1 1
LYS 56 56 1 1
GLN 57 57 1 1
GLN 58 58 1 1
ASN 59 59 1 1
LEU 60 60 1 1
LYS 61 61 1 1
LYS 62 62 1 1
GLU 63 63 1 1
LYS 64 64 1 1
GLY 65 65 1 1
LEU 66 66 1 1
PHE 67 67 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
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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182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
282 1 . . . 1 1
283 1 . . . 1 1
284 1 . . . 1 1
285 1 . . . 1 1
286 1 . . . 1 1
287 1 . . . 1 1
288 1 . . . 1 1
289 1 . . . 1 1
290 1 . . . 1 1
291 1 . . . 1 1
292 1 . . . 1 1
293 1 . . . 1 1
294 1 . . . 1 1
295 1 . . . 1 1
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
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 LYS H . 12 . HN 1 1
1 1 2 1 1 3 LYS HA . 12 . HA 1 1
2 1 1 1 1 2 THR HA . 11 . HA 1 1
2 1 2 1 1 3 LYS H . 12 . HN 1 1
3 1 1 1 1 2 THR HB . 11 . HB 1 1
3 1 2 1 1 3 LYS H . 12 . HN 1 1
4 1 1 1 1 4 LEU H . 13 . HN 1 1
4 1 2 1 1 4 LEU HA . 13 . HA 1 1
5 1 1 1 1 3 LYS HA . 12 . HA 1 1
5 1 2 1 1 4 LEU H . 13 . HN 1 1
6 1 1 1 1 4 LEU H . 13 . HN 1 1
6 1 2 1 1 4 LEU HG . 13 . HG 1 1
7 1 1 1 1 5 GLU H . 14 . HN 1 1
7 1 2 1 1 6 THR H . 15 . HN 1 1
8 1 1 1 1 4 LEU HA . 13 . HA 1 1
8 1 2 1 1 5 GLU H . 14 . HN 1 1
9 1 1 1 1 5 GLU H . 14 . HN 1 1
9 1 2 1 1 5 GLU HA . 14 . HA 1 1
10 1 1 1 1 5 GLU HA . 14 . HA 1 1
10 1 2 1 1 6 THR H . 15 . HN 1 1
11 1 1 1 1 6 THR HA . 15 . HA 1 1
11 1 2 1 1 7 PHE H . 16 . HN 1 1
12 1 1 1 1 7 PHE H . 16 . HN 1 1
12 1 2 1 1 7 PHE HA . 16 . HA 1 1
13 1 1 1 1 6 THR HB . 15 . HB 1 1
13 1 2 1 1 7 PHE H . 16 . HN 1 1
14 1 1 1 1 7 PHE H . 16 . HN 1 1
14 1 2 1 1 7 PHE HB3 . 16 . HB1 1 1
15 1 1 1 1 7 PHE H . 16 . HN 1 1
15 1 2 1 1 7 PHE HB2 . 16 . HB2 1 1
16 1 1 1 1 9 LEU H . 18 . HN 1 1
16 1 2 1 1 10 ASP H . 19 . HN 1 1
17 1 1 1 1 8 PRO HA . 17 . HA 1 1
17 1 2 1 1 9 LEU H . 18 . HN 1 1
18 1 1 1 1 9 LEU H . 18 . HN 1 1
18 1 2 1 1 9 LEU HA . 18 . HA 1 1
19 1 1 1 1 8 PRO HB3 . 17 . HB1 1 1
19 1 2 1 1 9 LEU H . 18 . HN 1 1
20 1 1 1 1 8 PRO HB2 . 17 . HB2 1 1
20 1 2 1 1 9 LEU H . 18 . HN 1 1
21 1 1 1 1 9 LEU H . 18 . HN 1 1
21 1 2 1 1 9 LEU HG . 18 . HG 1 1
22 1 1 1 1 10 ASP H . 19 . HN 1 1
22 1 2 1 1 11 VAL HB . 20 . HB 1 1
23 1 1 1 1 8 PRO HA . 17 . HA 1 1
23 1 2 1 1 10 ASP H . 19 . HN 1 1
24 1 1 1 1 10 ASP H . 19 . HN 1 1
24 1 2 1 1 10 ASP HA . 19 . HA 1 1
25 1 1 1 1 9 LEU HA . 18 . HA 1 1
25 1 2 1 1 10 ASP H . 19 . HN 1 1
26 1 1 1 1 8 PRO HB3 . 17 . HB1 1 1
26 1 2 1 1 10 ASP H . 19 . HN 1 1
27 1 1 1 1 8 PRO HB2 . 17 . HB2 1 1
27 1 2 1 1 10 ASP H . 19 . HN 1 1
28 1 1 1 1 9 LEU HG . 18 . HG 1 1
28 1 2 1 1 10 ASP H . 19 . HN 1 1
29 1 1 1 1 10 ASP HA . 19 . HA 1 1
29 1 2 1 1 11 VAL H . 20 . HN 1 1
30 1 1 1 1 10 ASP H . 19 . HN 1 1
30 1 2 1 1 11 VAL H . 20 . HN 1 1
31 1 1 1 1 11 VAL H . 20 . HN 1 1
31 1 2 1 1 12 LEU H . 21 . HN 1 1
32 1 1 1 1 8 PRO HB2 . 17 . HB2 1 1
32 1 2 1 1 11 VAL H . 20 . HN 1 1
33 1 1 1 1 11 VAL H . 20 . HN 1 1
33 1 2 1 1 11 VAL HB . 20 . HB 1 1
34 1 1 1 1 12 LEU H . 21 . HN 1 1
34 1 2 1 1 13 VAL HB . 22 . HB 1 1
35 1 1 1 1 12 LEU H . 21 . HN 1 1
35 1 2 1 1 13 VAL H . 22 . HN 1 1
36 1 1 1 1 12 LEU H . 21 . HN 1 1
36 1 2 1 1 12 LEU HG . 21 . HG 1 1
37 1 1 1 1 11 VAL HA . 20 . HA 1 1
37 1 2 1 1 12 LEU H . 21 . HN 1 1
38 1 1 1 1 9 LEU HA . 18 . HA 1 1
38 1 2 1 1 12 LEU H . 21 . HN 1 1
39 1 1 1 1 10 ASP H . 19 . HN 1 1
39 1 2 1 1 12 LEU H . 21 . HN 1 1
40 1 1 1 1 11 VAL HB . 20 . HB 1 1
40 1 2 1 1 12 LEU H . 21 . HN 1 1
41 1 1 1 1 12 LEU H . 21 . HN 1 1
41 1 2 1 1 12 LEU HB3 . 21 . HB1 1 1
42 1 1 1 1 12 LEU H . 21 . HN 1 1
42 1 2 1 1 12 LEU HB2 . 21 . HB2 1 1
43 1 1 1 1 13 VAL H . 22 . HN 1 1
43 1 2 1 1 14 ASN H . 23 . HN 1 1
44 1 1 1 1 12 LEU HA . 21 . HA 1 1
44 1 2 1 1 13 VAL H . 22 . HN 1 1
45 1 1 1 1 10 ASP HA . 19 . HA 1 1
45 1 2 1 1 13 VAL H . 22 . HN 1 1
46 1 1 1 1 13 VAL H . 22 . HN 1 1
46 1 2 1 1 13 VAL HA . 22 . HA 1 1
47 1 1 1 1 13 VAL H . 22 . HN 1 1
47 1 2 1 1 13 VAL HB . 22 . HB 1 1
48 1 1 1 1 12 LEU HB3 . 21 . HB1 1 1
48 1 2 1 1 13 VAL H . 22 . HN 1 1
49 1 1 1 1 12 LEU HB2 . 21 . HB2 1 1
49 1 2 1 1 13 VAL H . 22 . HN 1 1
50 1 1 1 1 13 VAL HA . 22 . HA 1 1
50 1 2 1 1 14 ASN H . 23 . HN 1 1
51 1 1 1 1 14 ASN HA . 23 . HA 1 1
51 1 2 1 1 15 THR H . 24 . HN 1 1
52 1 1 1 1 15 THR H . 24 . HN 1 1
52 1 2 1 1 15 THR HB . 24 . HB 1 1
53 1 1 1 1 16 ALA H . 25 . HN 1 1
53 1 2 1 1 16 ALA HA . 25 . HA 1 1
54 1 1 1 1 17 ALA H . 26 . HN 1 1
54 1 2 1 1 18 GLU H . 27 . HN 1 1
55 1 1 1 1 16 ALA HA . 25 . HA 1 1
55 1 2 1 1 17 ALA H . 26 . HN 1 1
56 1 1 1 1 17 ALA H . 26 . HN 1 1
56 1 2 1 1 17 ALA HA . 26 . HA 1 1
57 1 1 1 1 18 GLU H . 27 . HN 1 1
57 1 2 1 1 18 GLU HA . 27 . HA 1 1
58 1 1 1 1 17 ALA HA . 26 . HA 1 1
58 1 2 1 1 18 GLU H . 27 . HN 1 1
59 1 1 1 1 16 ALA HA . 25 . HA 1 1
59 1 2 1 1 18 GLU H . 27 . HN 1 1
60 1 1 1 1 18 GLU H . 27 . HN 1 1
60 1 2 1 1 19 ASP H . 28 . HN 1 1
61 1 1 1 1 18 GLU HA . 27 . HA 1 1
61 1 2 1 1 19 ASP H . 28 . HN 1 1
62 1 1 1 1 17 ALA HA . 26 . HA 1 1
62 1 2 1 1 19 ASP H . 28 . HN 1 1
63 1 1 1 1 19 ASP H . 28 . HN 1 1
63 1 2 1 1 20 LEU H . 29 . HN 1 1
64 1 1 1 1 17 ALA HA . 26 . HA 1 1
64 1 2 1 1 20 LEU H . 29 . HN 1 1
65 1 1 1 1 20 LEU H . 29 . HN 1 1
65 1 2 1 1 20 LEU HG . 29 . HG 1 1
66 1 1 1 1 20 LEU H . 29 . HN 1 1
66 1 2 1 1 20 LEU HB3 . 29 . HB1 1 1
67 1 1 1 1 20 LEU H . 29 . HN 1 1
67 1 2 1 1 20 LEU HB2 . 29 . HB2 1 1
68 1 1 1 1 21 PRO HA . 30 . HA 1 1
68 1 2 1 1 22 ARG H . 31 . HN 1 1
69 1 1 1 1 22 ARG H . 31 . HN 1 1
69 1 2 1 1 22 ARG HA . 31 . HA 1 1
70 1 1 1 1 21 PRO HB3 . 30 . HB1 1 1
70 1 2 1 1 22 ARG H . 31 . HN 1 1
71 1 1 1 1 21 PRO HB2 . 30 . HB2 1 1
71 1 2 1 1 22 ARG H . 31 . HN 1 1
72 1 1 1 1 23 GLY H . 32 . HN 1 1
72 1 2 1 1 24 VAL H . 33 . HN 1 1
73 1 1 1 1 22 ARG H . 31 . HN 1 1
73 1 2 1 1 23 GLY H . 32 . HN 1 1
74 1 1 1 1 22 ARG HA . 31 . HA 1 1
74 1 2 1 1 23 GLY H . 32 . HN 1 1
75 1 1 1 1 22 ARG HA . 31 . HA 1 1
75 1 2 1 1 24 VAL H . 33 . HN 1 1
76 1 1 1 1 24 VAL H . 33 . HN 1 1
76 1 2 1 1 24 VAL HB . 33 . HB 1 1
77 1 1 1 1 24 VAL HA . 33 . HA 1 1
77 1 2 1 1 25 ASP H . 34 . HN 1 1
78 1 1 1 1 24 VAL H . 33 . HN 1 1
78 1 2 1 1 25 ASP H . 34 . HN 1 1
79 1 1 1 1 27 SER H . 36 . HN 1 1
79 1 2 1 1 27 SER HA . 36 . HA 1 1
80 1 1 1 1 26 PRO HA . 35 . HA 1 1
80 1 2 1 1 27 SER H . 36 . HN 1 1
81 1 1 1 1 27 SER H . 36 . HN 1 1
81 1 2 1 1 27 SER HB2 . 36 . HB2 1 1
82 1 1 1 1 27 SER H . 36 . HN 1 1
82 1 2 1 1 27 SER HB3 . 36 . HB1 1 1
83 1 1 1 1 27 SER H . 36 . HN 1 1
83 1 2 1 1 28 ARG H . 37 . HN 1 1
84 1 1 1 1 27 SER HA . 36 . HA 1 1
84 1 2 1 1 28 ARG H . 37 . HN 1 1
85 1 1 1 1 27 SER HB3 . 36 . HB1 1 1
85 1 2 1 1 28 ARG H . 37 . HN 1 1
86 1 1 1 1 28 ARG H . 37 . HN 1 1
86 1 2 1 1 28 ARG HB3 . 37 . HB1 1 1
87 1 1 1 1 28 ARG H . 37 . HN 1 1
87 1 2 1 1 28 ARG HB2 . 37 . HB2 1 1
88 1 1 1 1 29 LYS H . 38 . HN 1 1
88 1 2 1 1 30 GLU H . 39 . HN 1 1
89 1 1 1 1 28 ARG H . 37 . HN 1 1
89 1 2 1 1 29 LYS H . 38 . HN 1 1
90 1 1 1 1 29 LYS HA . 38 . HA 1 1
90 1 2 1 1 30 GLU H . 39 . HN 1 1
91 1 1 1 1 30 GLU H . 39 . HN 1 1
91 1 2 1 1 31 ASN H . 40 . HN 1 1
92 1 1 1 1 31 ASN H . 40 . HN 1 1
92 1 2 1 1 32 HIS H . 41 . HN 1 1
93 1 1 1 1 31 ASN H . 40 . HN 1 1
93 1 2 1 1 31 ASN HA . 40 . HA 1 1
94 1 1 1 1 30 GLU HA . 39 . HA 1 1
94 1 2 1 1 31 ASN H . 40 . HN 1 1
95 1 1 1 1 31 ASN H . 40 . HN 1 1
95 1 2 1 1 31 ASN HB3 . 40 . HB1 1 1
96 1 1 1 1 31 ASN H . 40 . HN 1 1
96 1 2 1 1 31 ASN HB2 . 40 . HB2 1 1
97 1 1 1 1 28 ARG HB2 . 37 . HB2 1 1
97 1 2 1 1 31 ASN H . 40 . HN 1 1
98 1 1 1 1 28 ARG HB3 . 37 . HB1 1 1
98 1 2 1 1 31 ASN H . 40 . HN 1 1
99 1 1 1 1 31 ASN HA . 40 . HA 1 1
99 1 2 1 1 32 HIS H . 41 . HN 1 1
100 1 1 1 1 31 ASN HB2 . 40 . HB2 1 1
100 1 2 1 1 32 HIS H . 41 . HN 1 1
101 1 1 1 1 31 ASN HB3 . 40 . HB1 1 1
101 1 2 1 1 32 HIS H . 41 . HN 1 1
102 1 1 1 1 32 HIS H . 41 . HN 1 1
102 1 2 1 1 32 HIS HD2 . 41 . HD2 1 1
103 1 1 1 1 32 HIS H . 41 . HN 1 1
103 1 2 1 1 33 LEU H . 42 . HN 1 1
104 1 1 1 1 32 HIS H . 41 . HN 1 1
104 1 2 1 1 32 HIS HB3 . 41 . HB1 1 1
105 1 1 1 1 32 HIS H . 41 . HN 1 1
105 1 2 1 1 32 HIS HB2 . 41 . HB2 1 1
106 1 1 1 1 32 HIS HA . 41 . HA 1 1
106 1 2 1 1 33 LEU H . 42 . HN 1 1
107 1 1 1 1 33 LEU H . 42 . HN 1 1
107 1 2 1 1 33 LEU HG . 42 . HG 1 1
108 1 1 1 1 33 LEU H . 42 . HN 1 1
108 1 2 1 1 33 LEU HB2 . 42 . HB2 1 1
109 1 1 1 1 33 LEU H . 42 . HN 1 1
109 1 2 1 1 33 LEU HB3 . 42 . HB1 1 1
110 1 1 1 1 31 ASN HA . 40 . HA 1 1
110 1 2 1 1 33 LEU H . 42 . HN 1 1
111 1 1 1 1 33 LEU H . 42 . HN 1 1
111 1 2 1 1 37 ASP HB3 . 46 . HB1 1 1
112 1 1 1 1 33 LEU H . 42 . HN 1 1
112 1 2 1 1 37 ASP HB2 . 46 . HB2 1 1
113 1 1 1 1 33 LEU HA . 42 . HA 1 1
113 1 2 1 1 34 SER H . 43 . HN 1 1
114 1 1 1 1 34 SER H . 43 . HN 1 1
114 1 2 1 1 35 ASP H . 44 . HN 1 1
115 1 1 1 1 34 SER H . 43 . HN 1 1
115 1 2 1 1 37 ASP H . 46 . HN 1 1
116 1 1 1 1 34 SER HA . 43 . HA 1 1
116 1 2 1 1 36 GLU H . 45 . HN 1 1
117 1 1 1 1 36 GLU H . 45 . HN 1 1
117 1 2 1 1 36 GLU HA . 45 . HA 1 1
118 1 1 1 1 35 ASP HA . 44 . HA 1 1
118 1 2 1 1 36 GLU H . 45 . HN 1 1
119 1 1 1 1 35 ASP H . 44 . HN 1 1
119 1 2 1 1 36 GLU H . 45 . HN 1 1
120 1 1 1 1 36 GLU H . 45 . HN 1 1
120 1 2 1 1 38 PHE H . 47 . HN 1 1
121 1 1 1 1 36 GLU H . 45 . HN 1 1
121 1 2 1 1 37 ASP H . 46 . HN 1 1
122 1 1 1 1 37 ASP H . 46 . HN 1 1
122 1 2 1 1 38 PHE H . 47 . HN 1 1
123 1 1 1 1 37 ASP H . 46 . HN 1 1
123 1 2 1 1 37 ASP HA . 46 . HA 1 1
124 1 1 1 1 36 GLU HA . 45 . HA 1 1
124 1 2 1 1 37 ASP H . 46 . HN 1 1
125 1 1 1 1 34 SER HA . 43 . HA 1 1
125 1 2 1 1 37 ASP H . 46 . HN 1 1
126 1 1 1 1 37 ASP H . 46 . HN 1 1
126 1 2 1 1 37 ASP HB3 . 46 . HB1 1 1
127 1 1 1 1 37 ASP H . 46 . HN 1 1
127 1 2 1 1 37 ASP HB2 . 46 . HB2 1 1
128 1 1 1 1 37 ASP HB3 . 46 . HB1 1 1
128 1 2 1 1 38 PHE H . 47 . HN 1 1
129 1 1 1 1 37 ASP HB2 . 46 . HB2 1 1
129 1 2 1 1 38 PHE H . 47 . HN 1 1
130 1 1 1 1 38 PHE H . 47 . HN 1 1
130 1 2 1 1 39 LYS H . 48 . HN 1 1
131 1 1 1 1 37 ASP HA . 46 . HA 1 1
131 1 2 1 1 38 PHE H . 47 . HN 1 1
132 1 1 1 1 38 PHE H . 47 . HN 1 1
132 1 2 1 1 38 PHE HA . 47 . HA 1 1
133 1 1 1 1 38 PHE H . 47 . HN 1 1
133 1 2 1 1 38 PHE HB3 . 47 . HB1 1 1
134 1 1 1 1 38 PHE H . 47 . HN 1 1
134 1 2 1 1 38 PHE HB2 . 47 . HB2 1 1
135 1 1 1 1 33 LEU HB3 . 42 . HB1 1 1
135 1 2 1 1 38 PHE H . 47 . HN 1 1
136 1 1 1 1 33 LEU HB2 . 42 . HB2 1 1
136 1 2 1 1 38 PHE H . 47 . HN 1 1
137 1 1 1 1 33 LEU HG . 42 . HG 1 1
137 1 2 1 1 38 PHE H . 47 . HN 1 1
138 1 1 1 1 35 ASP HA . 44 . HA 1 1
138 1 2 1 1 38 PHE H . 47 . HN 1 1
139 1 1 1 1 36 GLU HA . 45 . HA 1 1
139 1 2 1 1 38 PHE H . 47 . HN 1 1
140 1 1 1 1 34 SER HA . 43 . HA 1 1
140 1 2 1 1 38 PHE H . 47 . HN 1 1
141 1 1 1 1 38 PHE H . 47 . HN 1 1
141 1 2 1 1 40 ALA H . 49 . HN 1 1
142 1 1 1 1 39 LYS H . 48 . HN 1 1
142 1 2 1 1 39 LYS HA . 48 . HA 1 1
143 1 1 1 1 36 GLU HA . 45 . HA 1 1
143 1 2 1 1 39 LYS H . 48 . HN 1 1
144 1 1 1 1 38 PHE HA . 47 . HA 1 1
144 1 2 1 1 39 LYS H . 48 . HN 1 1
145 1 1 1 1 38 PHE HB3 . 47 . HB1 1 1
145 1 2 1 1 39 LYS H . 48 . HN 1 1
146 1 1 1 1 38 PHE HB2 . 47 . HB2 1 1
146 1 2 1 1 39 LYS H . 48 . HN 1 1
147 1 1 1 1 40 ALA H . 49 . HN 1 1
147 1 2 1 1 41 VAL H . 50 . HN 1 1
148 1 1 1 1 39 LYS H . 48 . HN 1 1
148 1 2 1 1 40 ALA H . 49 . HN 1 1
149 1 1 1 1 37 ASP HA . 46 . HA 1 1
149 1 2 1 1 40 ALA H . 49 . HN 1 1
150 1 1 1 1 39 LYS HA . 48 . HA 1 1
150 1 2 1 1 40 ALA H . 49 . HN 1 1
151 1 1 1 1 40 ALA H . 49 . HN 1 1
151 1 2 1 1 40 ALA HA . 49 . HA 1 1
152 1 1 1 1 41 VAL H . 50 . HN 1 1
152 1 2 1 1 42 PHE H . 51 . HN 1 1
153 1 1 1 1 40 ALA HA . 49 . HA 1 1
153 1 2 1 1 41 VAL H . 50 . HN 1 1
154 1 1 1 1 41 VAL H . 50 . HN 1 1
154 1 2 1 1 41 VAL HA . 50 . HA 1 1
155 1 1 1 1 38 PHE HA . 47 . HA 1 1
155 1 2 1 1 41 VAL H . 50 . HN 1 1
156 1 1 1 1 37 ASP HA . 46 . HA 1 1
156 1 2 1 1 41 VAL H . 50 . HN 1 1
157 1 1 1 1 41 VAL H . 50 . HN 1 1
157 1 2 1 1 41 VAL HB . 50 . HB 1 1
158 1 1 1 1 42 PHE H . 51 . HN 1 1
158 1 2 1 1 42 PHE HA . 51 . HA 1 1
159 1 1 1 1 39 LYS HA . 48 . HA 1 1
159 1 2 1 1 42 PHE H . 51 . HN 1 1
160 1 1 1 1 41 VAL HA . 50 . HA 1 1
160 1 2 1 1 42 PHE H . 51 . HN 1 1
161 1 1 1 1 41 VAL HB . 50 . HB 1 1
161 1 2 1 1 42 PHE H . 51 . HN 1 1
162 1 1 1 1 38 PHE HA . 47 . HA 1 1
162 1 2 1 1 42 PHE H . 51 . HN 1 1
163 1 1 1 1 42 PHE H . 51 . HN 1 1
163 1 2 1 1 44 MET H . 53 . HN 1 1
164 1 1 1 1 42 PHE H . 51 . HN 1 1
164 1 2 1 1 42 PHE HB3 . 51 . HB1 1 1
165 1 1 1 1 42 PHE H . 51 . HN 1 1
165 1 2 1 1 42 PHE HB2 . 51 . HB2 1 1
166 1 1 1 1 42 PHE H . 51 . HN 1 1
166 1 2 1 1 43 GLY H . 52 . HN 1 1
167 1 1 1 1 42 PHE HA . 51 . HA 1 1
167 1 2 1 1 43 GLY H . 52 . HN 1 1
168 1 1 1 1 39 LYS HA . 48 . HA 1 1
168 1 2 1 1 43 GLY H . 52 . HN 1 1
169 1 1 1 1 41 VAL HB . 50 . HB 1 1
169 1 2 1 1 43 GLY H . 52 . HN 1 1
170 1 1 1 1 41 VAL HA . 50 . HA 1 1
170 1 2 1 1 43 GLY H . 52 . HN 1 1
171 1 1 1 1 42 PHE HB2 . 51 . HB2 1 1
171 1 2 1 1 43 GLY H . 52 . HN 1 1
172 1 1 1 1 42 PHE HB3 . 51 . HB1 1 1
172 1 2 1 1 43 GLY H . 52 . HN 1 1
173 1 1 1 1 43 GLY H . 52 . HN 1 1
173 1 2 1 1 44 MET H . 53 . HN 1 1
174 1 1 1 1 44 MET H . 53 . HN 1 1
174 1 2 1 1 44 MET HA . 53 . HA 1 1
175 1 1 1 1 42 PHE HA . 51 . HA 1 1
175 1 2 1 1 44 MET H . 53 . HN 1 1
176 1 1 1 1 39 LYS HA . 48 . HA 1 1
176 1 2 1 1 44 MET H . 53 . HN 1 1
177 1 1 1 1 42 PHE HB3 . 51 . HB1 1 1
177 1 2 1 1 44 MET H . 53 . HN 1 1
178 1 1 1 1 44 MET H . 53 . HN 1 1
178 1 2 1 1 44 MET HB3 . 53 . HB1 1 1
179 1 1 1 1 44 MET H . 53 . HN 1 1
179 1 2 1 1 44 MET HB2 . 53 . HB2 1 1
180 1 1 1 1 44 MET HA . 53 . HA 1 1
180 1 2 1 1 45 THR H . 54 . HN 1 1
181 1 1 1 1 45 THR H . 54 . HN 1 1
181 1 2 1 1 45 THR HA . 54 . HA 1 1
182 1 1 1 1 45 THR H . 54 . HN 1 1
182 1 2 1 1 45 THR HB . 54 . HB 1 1
183 1 1 1 1 44 MET HB3 . 53 . HB1 1 1
183 1 2 1 1 45 THR H . 54 . HN 1 1
184 1 1 1 1 44 MET HB2 . 53 . HB2 1 1
184 1 2 1 1 45 THR H . 54 . HN 1 1
185 1 1 1 1 45 THR HB . 54 . HB 1 1
185 1 2 1 1 46 ARG H . 55 . HN 1 1
186 1 1 1 1 45 THR HA . 54 . HA 1 1
186 1 2 1 1 46 ARG H . 55 . HN 1 1
187 1 1 1 1 46 ARG H . 55 . HN 1 1
187 1 2 1 1 46 ARG HA . 55 . HA 1 1
188 1 1 1 1 46 ARG H . 55 . HN 1 1
188 1 2 1 1 46 ARG HB3 . 55 . HB1 1 1
189 1 1 1 1 46 ARG H . 55 . HN 1 1
189 1 2 1 1 46 ARG HB2 . 55 . HB2 1 1
190 1 1 1 1 46 ARG H . 55 . HN 1 1
190 1 2 1 1 47 SER H . 56 . HN 1 1
191 1 1 1 1 47 SER H . 56 . HN 1 1
191 1 2 1 1 48 ALA H . 57 . HN 1 1
192 1 1 1 1 48 ALA H . 57 . HN 1 1
192 1 2 1 1 50 ALA H . 59 . HN 1 1
193 1 1 1 1 48 ALA H . 57 . HN 1 1
193 1 2 1 1 49 PHE H . 58 . HN 1 1
194 1 1 1 1 48 ALA H . 57 . HN 1 1
194 1 2 1 1 48 ALA HA . 57 . HA 1 1
195 1 1 1 1 48 ALA H . 57 . HN 1 1
195 1 2 1 1 49 PHE HB3 . 58 . HB1 1 1
196 1 1 1 1 48 ALA H . 57 . HN 1 1
196 1 2 1 1 49 PHE HB2 . 58 . HB2 1 1
197 1 1 1 1 49 PHE H . 58 . HN 1 1
197 1 2 1 1 50 ALA H . 59 . HN 1 1
198 1 1 1 1 46 ARG HA . 55 . HA 1 1
198 1 2 1 1 49 PHE H . 58 . HN 1 1
199 1 1 1 1 38 PHE HZ . 47 . HZ 1 1
199 1 2 1 1 49 PHE H . 58 . HN 1 1
200 1 1 1 1 49 PHE H . 58 . HN 1 1
200 1 2 1 1 52 LEU HG . 61 . HG 1 1
201 1 1 1 1 49 PHE H . 58 . HN 1 1
201 1 2 1 1 49 PHE HB3 . 58 . HB1 1 1
202 1 1 1 1 49 PHE H . 58 . HN 1 1
202 1 2 1 1 49 PHE HB2 . 58 . HB2 1 1
203 1 1 1 1 50 ALA H . 59 . HN 1 1
203 1 2 1 1 51 ASN H . 60 . HN 1 1
204 1 1 1 1 49 PHE HA . 58 . HA 1 1
204 1 2 1 1 50 ALA H . 59 . HN 1 1
205 1 1 1 1 50 ALA H . 59 . HN 1 1
205 1 2 1 1 50 ALA HA . 59 . HA 1 1
206 1 1 1 1 49 PHE HB3 . 58 . HB1 1 1
206 1 2 1 1 50 ALA H . 59 . HN 1 1
207 1 1 1 1 49 PHE HB2 . 58 . HB2 1 1
207 1 2 1 1 50 ALA H . 59 . HN 1 1
208 1 1 1 1 51 ASN H . 60 . HN 1 1
208 1 2 1 1 51 ASN HA . 60 . HA 1 1
209 1 1 1 1 51 ASN H . 60 . HN 1 1
209 1 2 1 1 52 LEU HG . 61 . HG 1 1
210 1 1 1 1 49 PHE H . 58 . HN 1 1
210 1 2 1 1 51 ASN H . 60 . HN 1 1
211 1 1 1 1 48 ALA HA . 57 . HA 1 1
211 1 2 1 1 51 ASN H . 60 . HN 1 1
212 1 1 1 1 50 ALA HA . 59 . HA 1 1
212 1 2 1 1 51 ASN H . 60 . HN 1 1
213 1 1 1 1 51 ASN H . 60 . HN 1 1
213 1 2 1 1 51 ASN HB3 . 60 . HB1 1 1
214 1 1 1 1 51 ASN H . 60 . HN 1 1
214 1 2 1 1 51 ASN HB2 . 60 . HB2 1 1
215 1 1 1 1 51 ASN H . 60 . HN 1 1
215 1 2 1 1 52 LEU H . 61 . HN 1 1
216 1 1 1 1 51 ASN HA . 60 . HA 1 1
216 1 2 1 1 52 LEU H . 61 . HN 1 1
217 1 1 1 1 49 PHE HA . 58 . HA 1 1
217 1 2 1 1 52 LEU H . 61 . HN 1 1
218 1 1 1 1 50 ALA HA . 59 . HA 1 1
218 1 2 1 1 52 LEU H . 61 . HN 1 1
219 1 1 1 1 50 ALA H . 59 . HN 1 1
219 1 2 1 1 52 LEU H . 61 . HN 1 1
220 1 1 1 1 52 LEU H . 61 . HN 1 1
220 1 2 1 1 52 LEU HA . 61 . HA 1 1
221 1 1 1 1 52 LEU H . 61 . HN 1 1
221 1 2 1 1 53 PRO HD3 . 62 . HD1 1 1
222 1 1 1 1 52 LEU H . 61 . HN 1 1
222 1 2 1 1 53 PRO HD2 . 62 . HD2 1 1
223 1 1 1 1 52 LEU H . 61 . HN 1 1
223 1 2 1 1 52 LEU HG . 61 . HG 1 1
224 1 1 1 1 51 ASN HB3 . 60 . HB1 1 1
224 1 2 1 1 52 LEU H . 61 . HN 1 1
225 1 1 1 1 51 ASN HB2 . 60 . HB2 1 1
225 1 2 1 1 52 LEU H . 61 . HN 1 1
226 1 1 1 1 52 LEU H . 61 . HN 1 1
226 1 2 1 1 52 LEU HB2 . 61 . HB2 1 1
227 1 1 1 1 52 LEU H . 61 . HN 1 1
227 1 2 1 1 52 LEU HB3 . 61 . HB1 1 1
228 1 1 1 1 53 PRO HA . 62 . HA 1 1
228 1 2 1 1 54 LEU H . 63 . HN 1 1
229 1 1 1 1 55 TRP H . 64 . HN 1 1
229 1 2 1 1 55 TRP HD1 . 64 . HD1 1 1
230 1 1 1 1 55 TRP H . 64 . HN 1 1
230 1 2 1 1 55 TRP HE3 . 64 . HE3 1 1
231 1 1 1 1 55 TRP H . 64 . HN 1 1
231 1 2 1 1 55 TRP HE1 . 64 . HE1 1 1
232 1 1 1 1 55 TRP H . 64 . HN 1 1
232 1 2 1 1 56 LYS H . 65 . HN 1 1
233 1 1 1 1 55 TRP H . 64 . HN 1 1
233 1 2 1 1 55 TRP HA . 64 . HA 1 1
234 1 1 1 1 54 LEU HA . 63 . HA 1 1
234 1 2 1 1 55 TRP H . 64 . HN 1 1
235 1 1 1 1 55 TRP H . 64 . HN 1 1
235 1 2 1 1 55 TRP HB3 . 64 . HB1 1 1
236 1 1 1 1 55 TRP H . 64 . HN 1 1
236 1 2 1 1 55 TRP HB2 . 64 . HB2 1 1
237 1 1 1 1 53 PRO HB3 . 62 . HB1 1 1
237 1 2 1 1 55 TRP H . 64 . HN 1 1
238 1 1 1 1 53 PRO HB2 . 62 . HB2 1 1
238 1 2 1 1 55 TRP H . 64 . HN 1 1
239 1 1 1 1 54 LEU HG . 63 . HG 1 1
239 1 2 1 1 55 TRP H . 64 . HN 1 1
240 1 1 1 1 55 TRP HA . 64 . HA 1 1
240 1 2 1 1 56 LYS H . 65 . HN 1 1
241 1 1 1 1 53 PRO HB3 . 62 . HB1 1 1
241 1 2 1 1 56 LYS H . 65 . HN 1 1
242 1 1 1 1 53 PRO HB2 . 62 . HB2 1 1
242 1 2 1 1 56 LYS H . 65 . HN 1 1
243 1 1 1 1 55 TRP HE3 . 64 . HE3 1 1
243 1 2 1 1 56 LYS H . 65 . HN 1 1
244 1 1 1 1 54 LEU H . 63 . HN 1 1
244 1 2 1 1 56 LYS H . 65 . HN 1 1
245 1 1 1 1 57 GLN H . 66 . HN 1 1
245 1 2 1 1 58 GLN H . 67 . HN 1 1
246 1 1 1 1 56 LYS H . 65 . HN 1 1
246 1 2 1 1 57 GLN H . 66 . HN 1 1
247 1 1 1 1 54 LEU HA . 63 . HA 1 1
247 1 2 1 1 57 GLN H . 66 . HN 1 1
248 1 1 1 1 56 LYS HA . 65 . HA 1 1
248 1 2 1 1 57 GLN H . 66 . HN 1 1
249 1 1 1 1 52 LEU HB2 . 61 . HB2 1 1
249 1 2 1 1 57 GLN H . 66 . HN 1 1
250 1 1 1 1 57 GLN H . 66 . HN 1 1
250 1 2 1 1 57 GLN HB3 . 66 . HB1 1 1
251 1 1 1 1 57 GLN H . 66 . HN 1 1
251 1 2 1 1 57 GLN HB2 . 66 . HB2 1 1
252 1 1 1 1 56 LYS H . 65 . HN 1 1
252 1 2 1 1 58 GLN H . 67 . HN 1 1
253 1 1 1 1 55 TRP HA . 64 . HA 1 1
253 1 2 1 1 58 GLN H . 67 . HN 1 1
254 1 1 1 1 54 LEU HA . 63 . HA 1 1
254 1 2 1 1 58 GLN H . 67 . HN 1 1
255 1 1 1 1 58 GLN H . 67 . HN 1 1
255 1 2 1 1 58 GLN HA . 67 . HA 1 1
256 1 1 1 1 57 GLN HA . 66 . HA 1 1
256 1 2 1 1 58 GLN H . 67 . HN 1 1
257 1 1 1 1 57 GLN HB3 . 66 . HB1 1 1
257 1 2 1 1 58 GLN H . 67 . HN 1 1
258 1 1 1 1 57 GLN HB2 . 66 . HB2 1 1
258 1 2 1 1 58 GLN H . 67 . HN 1 1
259 1 1 1 1 58 GLN H . 67 . HN 1 1
259 1 2 1 1 58 GLN HB3 . 67 . HB1 1 1
260 1 1 1 1 58 GLN H . 67 . HN 1 1
260 1 2 1 1 59 ASN H . 68 . HN 1 1
261 1 1 1 1 56 LYS H . 65 . HN 1 1
261 1 2 1 1 59 ASN H . 68 . HN 1 1
262 1 1 1 1 59 ASN H . 68 . HN 1 1
262 1 2 1 1 59 ASN HA . 68 . HA 1 1
263 1 1 1 1 58 GLN HA . 67 . HA 1 1
263 1 2 1 1 59 ASN H . 68 . HN 1 1
264 1 1 1 1 56 LYS HA . 65 . HA 1 1
264 1 2 1 1 59 ASN H . 68 . HN 1 1
265 1 1 1 1 58 GLN HB3 . 67 . HB1 1 1
265 1 2 1 1 59 ASN H . 68 . HN 1 1
266 1 1 1 1 58 GLN HB2 . 67 . HB2 1 1
266 1 2 1 1 59 ASN H . 68 . HN 1 1
267 1 1 1 1 59 ASN H . 68 . HN 1 1
267 1 2 1 1 60 LEU H . 69 . HN 1 1
268 1 1 1 1 60 LEU H . 69 . HN 1 1
268 1 2 1 1 62 LYS H . 71 . HN 1 1
269 1 1 1 1 59 ASN HA . 68 . HA 1 1
269 1 2 1 1 60 LEU H . 69 . HN 1 1
270 1 1 1 1 60 LEU H . 69 . HN 1 1
270 1 2 1 1 60 LEU HA . 69 . HA 1 1
271 1 1 1 1 56 LYS HA . 65 . HA 1 1
271 1 2 1 1 60 LEU H . 69 . HN 1 1
272 1 1 1 1 58 GLN HB3 . 67 . HB1 1 1
272 1 2 1 1 60 LEU H . 69 . HN 1 1
273 1 1 1 1 57 GLN HA . 66 . HA 1 1
273 1 2 1 1 60 LEU H . 69 . HN 1 1
274 1 1 1 1 60 LEU H . 69 . HN 1 1
274 1 2 1 1 60 LEU HG . 69 . HG 1 1
275 1 1 1 1 60 LEU H . 69 . HN 1 1
275 1 2 1 1 61 LYS H . 70 . HN 1 1
276 1 1 1 1 60 LEU HA . 69 . HA 1 1
276 1 2 1 1 61 LYS H . 70 . HN 1 1
277 1 1 1 1 58 GLN HA . 67 . HA 1 1
277 1 2 1 1 61 LYS H . 70 . HN 1 1
278 1 1 1 1 57 GLN HA . 66 . HA 1 1
278 1 2 1 1 61 LYS H . 70 . HN 1 1
279 1 1 1 1 61 LYS H . 70 . HN 1 1
279 1 2 1 1 61 LYS HA . 70 . HA 1 1
280 1 1 1 1 60 LEU HG . 69 . HG 1 1
280 1 2 1 1 61 LYS H . 70 . HN 1 1
281 1 1 1 1 61 LYS H . 70 . HN 1 1
281 1 2 1 1 62 LYS H . 71 . HN 1 1
282 1 1 1 1 62 LYS H . 71 . HN 1 1
282 1 2 1 1 63 GLU H . 72 . HN 1 1
283 1 1 1 1 59 ASN HA . 68 . HA 1 1
283 1 2 1 1 62 LYS H . 71 . HN 1 1
284 1 1 1 1 62 LYS H . 71 . HN 1 1
284 1 2 1 1 62 LYS HA . 71 . HA 1 1
285 1 1 1 1 61 LYS HA . 70 . HA 1 1
285 1 2 1 1 62 LYS H . 71 . HN 1 1
286 1 1 1 1 58 GLN HA . 67 . HA 1 1
286 1 2 1 1 62 LYS H . 71 . HN 1 1
287 1 1 1 1 62 LYS H . 71 . HN 1 1
287 1 2 1 1 67 PHE HB3 . 76 . HB1 1 1
288 1 1 1 1 62 LYS H . 71 . HN 1 1
288 1 2 1 1 67 PHE HB2 . 76 . HB2 1 1
289 1 1 1 1 63 GLU H . 72 . HN 1 1
289 1 2 1 1 64 LYS H . 73 . HN 1 1
290 1 1 1 1 63 GLU H . 72 . HN 1 1
290 1 2 1 1 63 GLU HA . 72 . HA 1 1
291 1 1 1 1 62 LYS HA . 71 . HA 1 1
291 1 2 1 1 63 GLU H . 72 . HN 1 1
292 1 1 1 1 59 ASN HA . 68 . HA 1 1
292 1 2 1 1 63 GLU H . 72 . HN 1 1
293 1 1 1 1 61 LYS H . 70 . HN 1 1
293 1 2 1 1 63 GLU H . 72 . HN 1 1
294 1 1 1 1 63 GLU H . 72 . HN 1 1
294 1 2 1 1 67 PHE H . 76 . HN 1 1
295 1 1 1 1 63 GLU H . 72 . HN 1 1
295 1 2 1 1 63 GLU HB3 . 72 . HB1 1 1
296 1 1 1 1 63 GLU H . 72 . HN 1 1
296 1 2 1 1 63 GLU HB2 . 72 . HB2 1 1
297 1 1 1 1 64 LYS H . 73 . HN 1 1
297 1 2 1 1 65 GLY H . 74 . HN 1 1
298 1 1 1 1 64 LYS H . 73 . HN 1 1
298 1 2 1 1 64 LYS HA . 73 . HA 1 1
299 1 1 1 1 63 GLU HA . 72 . HA 1 1
299 1 2 1 1 64 LYS H . 73 . HN 1 1
300 1 1 1 1 63 GLU HB3 . 72 . HB1 1 1
300 1 2 1 1 64 LYS H . 73 . HN 1 1
301 1 1 1 1 63 GLU HB2 . 72 . HB2 1 1
301 1 2 1 1 64 LYS H . 73 . HN 1 1
302 1 1 1 1 64 LYS HA . 73 . HA 1 1
302 1 2 1 1 65 GLY H . 74 . HN 1 1
303 1 1 1 1 66 LEU H . 75 . HN 1 1
303 1 2 1 1 67 PHE H . 76 . HN 1 1
304 1 1 1 1 65 GLY H . 74 . HN 1 1
304 1 2 1 1 66 LEU H . 75 . HN 1 1
305 1 1 1 1 61 LYS HA . 70 . HA 1 1
305 1 2 1 1 66 LEU H . 75 . HN 1 1
306 1 1 1 1 64 LYS H . 73 . HN 1 1
306 1 2 1 1 66 LEU H . 75 . HN 1 1
307 1 1 1 1 66 LEU H . 75 . HN 1 1
307 1 2 1 1 66 LEU HG . 75 . HG 1 1
308 1 1 1 1 66 LEU HA . 75 . HA 1 1
308 1 2 1 1 67 PHE H . 76 . HN 1 1
309 1 1 1 1 67 PHE H . 76 . HN 1 1
309 1 2 1 1 67 PHE HA . 76 . HA 1 1
310 1 1 1 1 67 PHE H . 76 . HN 1 1
310 1 2 1 1 67 PHE HB2 . 76 . HB2 1 1
311 1 1 1 1 67 PHE H . 76 . HN 1 1
311 1 2 1 1 67 PHE HB3 . 76 . HB1 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 . . . . . 2.3 1.8 2.8 1 1
2 1 . . . . . 2.3 1.8 2.8 1 1
3 1 . . . . . 3.8 1.8 4.8 1 1
4 1 . . . . . 2.8 1.8 3.3 1 1
5 1 . . . . . 2.3 1.8 2.8 1 1
6 1 . . . . . 2.8 1.8 3.3 1 1
7 1 . . . . . 3.3 1.8 4.3 1 1
8 1 . . . . . 2.3 1.8 2.8 1 1
9 1 . . . . . 2.8 1.8 3.3 1 1
10 1 . . . . . 2.3 1.8 2.8 1 1
11 1 . . . . . 2.8 1.8 3.3 1 1
12 1 . . . . . 2.8 1.8 3.3 1 1
13 1 . . . . . 3.3 1.8 4.3 1 1
14 1 . . . . . 3.3 1.8 4.3 1 1
15 1 . . . . . 3.3 1.8 4.3 1 1
16 1 . . . . . 2.3 1.8 2.8 1 1
17 1 . . . . . 2.3 1.8 2.8 1 1
18 1 . . . . . 2.3 1.8 2.8 1 1
19 1 . . . . . 2.8 1.8 3.3 1 1
20 1 . . . . . 3.3 1.8 4.3 1 1
21 1 . . . . . 2.8 1.8 3.3 1 1
22 1 . . . . . 3.8 1.8 4.8 1 1
23 1 . . . . . 3.3 1.8 4.3 1 1
24 1 . . . . . 2.3 1.8 2.8 1 1
25 1 . . . . . 3.3 1.8 4.3 1 1
26 1 . . . . . 3.3 1.8 4.3 1 1
27 1 . . . . . 2.8 1.8 3.3 1 1
28 1 . . . . . 2.8 1.8 3.3 1 1
29 1 . . . . . 3.3 1.8 4.3 1 1
30 1 . . . . . 2.3 1.8 2.8 1 1
31 1 . . . . . 2.8 1.8 3.3 1 1
32 1 . . . . . 3.3 1.8 4.3 1 1
33 1 . . . . . 2.8 1.8 3.3 1 1
34 1 . . . . . 3.8 1.8 4.8 1 1
35 1 . . . . . 2.8 1.8 3.3 1 1
36 1 . . . . . 2.8 1.8 3.3 1 1
37 1 . . . . . 3.3 1.8 4.3 1 1
38 1 . . . . . 3.8 1.8 4.8 1 1
39 1 . . . . . 3.8 1.8 4.8 1 1
40 1 . . . . . 3.3 1.8 4.3 1 1
41 1 . . . . . 3.3 1.8 4.3 1 1
42 1 . . . . . 3.3 1.8 4.3 1 1
43 1 . . . . . 3.8 1.8 4.8 1 1
44 1 . . . . . 3.3 1.8 4.3 1 1
45 1 . . . . . 3.3 1.8 4.3 1 1
46 1 . . . . . 2.8 1.8 3.3 1 1
47 1 . . . . . 2.8 1.8 3.3 1 1
48 1 . . . . . 3.3 1.8 4.3 1 1
49 1 . . . . . 3.3 1.8 4.3 1 1
50 1 . . . . . 3.3 1.8 4.3 1 1
51 1 . . . . . 2.8 1.8 3.3 1 1
52 1 . . . . . 2.8 1.8 3.3 1 1
53 1 . . . . . 2.3 1.8 2.8 1 1
54 1 . . . . . 2.8 1.8 3.3 1 1
55 1 . . . . . 2.3 1.8 2.8 1 1
56 1 . . . . . 2.3 1.8 2.8 1 1
57 1 . . . . . 2.3 1.8 2.8 1 1
58 1 . . . . . 3.3 1.8 4.3 1 1
59 1 . . . . . 3.3 1.8 4.3 1 1
60 1 . . . . . 2.8 1.8 3.3 1 1
61 1 . . . . . 3.8 1.8 4.8 1 1
62 1 . . . . . 3.8 1.8 4.8 1 1
63 1 . . . . . 2.8 1.8 3.3 1 1
64 1 . . . . . 3.3 1.8 4.3 1 1
65 1 . . . . . 2.8 1.8 3.3 1 1
66 1 . . . . . 2.8 1.8 3.3 1 1
67 1 . . . . . 2.3 1.8 2.8 1 1
68 1 . . . . . 2.3 1.8 2.8 1 1
69 1 . . . . . 2.8 1.8 3.3 1 1
70 1 . . . . . 2.8 1.8 3.3 1 1
71 1 . . . . . 3.3 1.8 4.3 1 1
72 1 . . . . . 3.3 1.8 4.3 1 1
73 1 . . . . . 3.8 1.8 4.8 1 1
74 1 . . . . . 2.8 1.8 3.3 1 1
75 1 . . . . . 3.8 1.8 4.8 1 1
76 1 . . . . . 2.8 1.8 3.3 1 1
77 1 . . . . . 2.8 1.8 3.3 1 1
78 1 . . . . . 3.3 1.8 4.3 1 1
79 1 . . . . . 2.8 1.8 3.3 1 1
80 1 . . . . . 3.3 1.8 4.3 1 1
81 1 . . . . . 2.8 1.8 3.3 1 1
82 1 . . . . . 2.8 1.8 3.3 1 1
83 1 . . . . . 2.3 1.8 2.8 1 1
84 1 . . . . . 3.3 1.8 4.3 1 1
85 1 . . . . . 3.8 1.8 4.8 1 1
86 1 . . . . . 3.8 1.8 4.8 1 1
87 1 . . . . . 3.3 1.8 4.3 1 1
88 1 . . . . . 3.3 1.8 4.3 1 1
89 1 . . . . . 3.3 1.8 4.3 1 1
90 1 . . . . . 3.8 1.8 4.8 1 1
91 1 . . . . . 2.8 1.8 3.3 1 1
92 1 . . . . . 2.3 1.8 2.8 1 1
93 1 . . . . . 2.8 1.8 3.3 1 1
94 1 . . . . . 3.8 1.8 4.8 1 1
95 1 . . . . . 2.8 1.8 3.3 1 1
96 1 . . . . . 2.8 1.8 3.3 1 1
97 1 . . . . . 3.8 1.8 4.8 1 1
98 1 . . . . . 3.3 1.8 4.3 1 1
99 1 . . . . . 3.8 1.8 4.8 1 1
100 1 . . . . . 3.3 1.8 4.3 1 1
101 1 . . . . . 3.3 1.8 4.3 1 1
102 1 . . . . . 3.3 1.8 4.3 1 1
103 1 . . . . . 2.8 1.8 3.3 1 1
104 1 . . . . . 3.3 1.8 4.3 1 1
105 1 . . . . . 2.8 1.8 3.3 1 1
106 1 . . . . . 3.3 1.8 4.3 1 1
107 1 . . . . . 3.3 1.8 4.3 1 1
108 1 . . . . . 2.8 1.8 3.3 1 1
109 1 . . . . . 2.8 1.8 3.3 1 1
110 1 . . . . . 3.8 1.8 4.8 1 1
111 1 . . . . . 3.3 1.8 4.3 1 1
112 1 . . . . . 3.3 1.8 4.3 1 1
113 1 . . . . . 3.3 1.8 4.3 1 1
114 1 . . . . . 3.8 1.8 4.8 1 1
115 1 . . . . . 3.8 1.8 4.8 1 1
116 1 . . . . . 3.8 1.8 5.3 1 1
117 1 . . . . . 2.8 1.8 3.3 1 1
118 1 . . . . . 3.8 1.8 4.8 1 1
119 1 . . . . . 3.8 1.8 4.8 1 1
120 1 . . . . . 3.8 1.8 4.8 1 1
121 1 . . . . . 2.8 1.8 3.3 1 1
122 1 . . . . . 2.3 1.8 2.8 1 1
123 1 . . . . . 2.8 1.8 3.3 1 1
124 1 . . . . . 2.8 1.8 3.3 1 1
125 1 . . . . . 3.8 1.8 4.8 1 1
126 1 . . . . . 2.8 1.8 3.3 1 1
127 1 . . . . . 2.8 1.8 3.3 1 1
128 1 . . . . . 3.3 1.8 4.3 1 1
129 1 . . . . . 2.8 1.8 3.3 1 1
130 1 . . . . . 2.8 1.8 3.3 1 1
131 1 . . . . . 3.3 1.8 4.3 1 1
132 1 . . . . . 2.8 1.8 3.3 1 1
133 1 . . . . . 2.3 1.8 2.8 1 1
134 1 . . . . . 2.3 1.8 2.8 1 1
135 1 . . . . . 3.3 1.8 4.3 1 1
136 1 . . . . . 3.3 1.8 4.3 1 1
137 1 . . . . . 3.8 1.8 4.8 1 1
138 1 . . . . . 3.3 1.8 4.3 1 1
139 1 . . . . . 3.8 1.8 4.8 1 1
140 1 . . . . . 3.8 1.8 5.3 1 1
141 1 . . . . . 3.3 1.8 4.3 1 1
142 1 . . . . . 2.8 1.8 3.3 1 1
143 1 . . . . . 2.8 1.8 3.3 1 1
144 1 . . . . . 3.3 1.8 4.3 1 1
145 1 . . . . . 3.3 1.8 4.3 1 1
146 1 . . . . . 3.3 1.8 4.3 1 1
147 1 . . . . . 2.3 1.8 2.8 1 1
148 1 . . . . . 2.3 1.8 2.8 1 1
149 1 . . . . . 2.8 1.8 3.3 1 1
150 1 . . . . . 3.3 1.8 4.3 1 1
151 1 . . . . . 2.3 1.8 2.8 1 1
152 1 . . . . . 2.3 1.8 2.8 1 1
153 1 . . . . . 3.3 1.8 4.3 1 1
154 1 . . . . . 2.8 1.8 3.3 1 1
155 1 . . . . . 3.8 1.8 4.8 1 1
156 1 . . . . . 3.8 1.8 4.8 1 1
157 1 . . . . . 2.3 1.8 2.8 1 1
158 1 . . . . . 2.8 1.8 3.3 1 1
159 1 . . . . . 3.3 1.8 4.3 1 1
160 1 . . . . . 3.3 1.8 4.3 1 1
161 1 . . . . . 2.8 1.8 3.3 1 1
162 1 . . . . . 3.8 1.8 4.8 1 1
163 1 . . . . . 3.8 1.8 4.8 1 1
164 1 . . . . . 2.8 1.8 3.3 1 1
165 1 . . . . . 2.8 1.8 3.3 1 1
166 1 . . . . . 2.8 1.8 3.3 1 1
167 1 . . . . . 3.3 1.8 4.3 1 1
168 1 . . . . . 3.3 1.8 4.3 1 1
169 1 . . . . . 3.8 1.8 4.8 1 1
170 1 . . . . . 3.8 1.8 4.8 1 1
171 1 . . . . . 3.3 1.8 4.3 1 1
172 1 . . . . . 3.3 1.8 4.3 1 1
173 1 . . . . . 2.3 1.8 2.8 1 1
174 1 . . . . . 2.3 1.8 2.8 1 1
175 1 . . . . . 3.3 1.8 4.3 1 1
176 1 . . . . . 2.3 1.8 2.8 1 1
177 1 . . . . . 3.3 1.8 4.3 1 1
178 1 . . . . . 3.3 1.8 4.3 1 1
179 1 . . . . . 3.3 1.8 4.3 1 1
180 1 . . . . . 2.3 1.8 2.8 1 1
181 1 . . . . . 2.8 1.8 3.3 1 1
182 1 . . . . . 2.8 1.8 3.3 1 1
183 1 . . . . . 3.3 1.8 4.3 1 1
184 1 . . . . . 2.8 1.8 3.3 1 1
185 1 . . . . . 2.8 1.8 3.3 1 1
186 1 . . . . . 2.3 1.8 2.8 1 1
187 1 . . . . . 2.8 1.8 3.3 1 1
188 1 . . . . . 2.3 1.8 2.8 1 1
189 1 . . . . . 2.8 1.8 3.3 1 1
190 1 . . . . . 3.8 1.8 4.8 1 1
191 1 . . . . . 3.8 1.8 4.8 1 1
192 1 . . . . . 3.8 1.8 4.8 1 1
193 1 . . . . . 2.3 1.8 2.8 1 1
194 1 . . . . . 2.8 1.8 3.3 1 1
195 1 . . . . . 3.8 1.8 4.8 1 1
196 1 . . . . . 3.8 1.8 4.8 1 1
197 1 . . . . . 2.3 1.8 2.8 1 1
198 1 . . . . . 3.3 1.8 4.3 1 1
199 1 . . . . . 3.8 1.8 4.8 1 1
200 1 . . . . . 3.8 1.8 4.8 1 1
201 1 . . . . . 2.3 1.8 2.8 1 1
202 1 . . . . . 2.3 1.8 2.8 1 1
203 1 . . . . . 2.8 1.8 3.3 1 1
204 1 . . . . . 2.8 1.8 3.3 1 1
205 1 . . . . . 2.8 1.8 3.3 1 1
206 1 . . . . . 2.8 1.8 3.3 1 1
207 1 . . . . . 3.3 1.8 4.3 1 1
208 1 . . . . . 2.8 1.8 3.3 1 1
209 1 . . . . . 3.8 1.8 4.8 1 1
210 1 . . . . . 3.8 1.8 4.8 1 1
211 1 . . . . . 3.3 1.8 4.3 1 1
212 1 . . . . . 3.3 1.8 4.3 1 1
213 1 . . . . . 2.8 1.8 3.3 1 1
214 1 . . . . . 2.8 1.8 3.3 1 1
215 1 . . . . . 2.3 1.8 2.8 1 1
216 1 . . . . . 3.3 1.8 4.3 1 1
217 1 . . . . . 3.3 1.8 4.3 1 1
218 1 . . . . . 3.3 1.8 4.3 1 1
219 1 . . . . . 3.8 1.8 4.8 1 1
220 1 . . . . . 2.8 1.8 3.3 1 1
221 1 . . . . . 3.8 1.8 4.8 1 1
222 1 . . . . . 3.8 1.8 4.8 1 1
223 1 . . . . . 2.3 1.8 2.8 1 1
224 1 . . . . . 3.8 1.8 4.8 1 1
225 1 . . . . . 3.3 1.8 4.3 1 1
226 1 . . . . . 2.8 1.8 3.3 1 1
227 1 . . . . . 2.8 1.8 3.3 1 1
228 1 . . . . . 2.8 1.8 3.3 1 1
229 1 . . . . . 2.3 1.8 2.8 1 1
230 1 . . . . . 3.8 1.8 4.8 1 1
231 1 . . . . . 3.8 1.8 4.8 1 1
232 1 . . . . . 2.3 1.8 2.8 1 1
233 1 . . . . . 2.3 1.8 2.8 1 1
234 1 . . . . . 3.3 1.8 4.3 1 1
235 1 . . . . . 2.3 1.8 2.8 1 1
236 1 . . . . . 2.8 1.8 3.3 1 1
237 1 . . . . . 3.3 1.8 4.3 1 1
238 1 . . . . . 3.3 1.8 4.3 1 1
239 1 . . . . . 3.3 1.8 4.3 1 1
240 1 . . . . . 3.3 1.8 4.3 1 1
241 1 . . . . . 3.3 1.8 4.3 1 1
242 1 . . . . . 3.3 1.8 4.3 1 1
243 1 . . . . . 3.8 1.8 4.8 1 1
244 1 . . . . . 3.8 1.8 4.8 1 1
245 1 . . . . . 2.8 1.8 3.3 1 1
246 1 . . . . . 2.8 1.8 3.3 1 1
247 1 . . . . . 3.3 1.8 4.3 1 1
248 1 . . . . . 3.8 1.8 4.8 1 1
249 1 . . . . . 3.8 1.8 4.8 1 1
250 1 . . . . . 3.3 1.8 4.3 1 1
251 1 . . . . . 2.8 1.8 3.3 1 1
252 1 . . . . . 3.3 1.8 4.3 1 1
253 1 . . . . . 3.3 1.8 4.3 1 1
254 1 . . . . . 3.3 1.8 4.3 1 1
255 1 . . . . . 2.8 1.8 3.3 1 1
256 1 . . . . . 3.3 1.8 4.3 1 1
257 1 . . . . . 2.8 1.8 3.3 1 1
258 1 . . . . . 2.8 1.8 3.3 1 1
259 1 . . . . . 2.3 1.8 2.8 1 1
260 1 . . . . . 2.8 1.8 3.3 1 1
261 1 . . . . . 3.8 1.8 4.8 1 1
262 1 . . . . . 2.8 1.8 3.3 1 1
263 1 . . . . . 3.3 1.8 4.3 1 1
264 1 . . . . . 2.8 1.8 3.3 1 1
265 1 . . . . . 3.3 1.8 4.3 1 1
266 1 . . . . . 3.3 1.8 4.3 1 1
267 1 . . . . . 2.3 1.8 2.8 1 1
268 1 . . . . . 3.8 1.8 4.8 1 1
269 1 . . . . . 2.8 1.8 3.3 1 1
270 1 . . . . . 2.3 1.8 2.8 1 1
271 1 . . . . . 3.3 1.8 4.3 1 1
272 1 . . . . . 3.8 1.8 4.8 1 1
273 1 . . . . . 3.3 1.8 4.3 1 1
274 1 . . . . . 2.3 1.8 2.8 1 1
275 1 . . . . . 2.8 1.8 3.3 1 1
276 1 . . . . . 3.3 1.8 4.3 1 1
277 1 . . . . . 2.8 1.8 3.3 1 1
278 1 . . . . . 3.8 1.8 4.8 1 1
279 1 . . . . . 2.8 1.8 3.3 1 1
280 1 . . . . . 3.3 1.8 4.3 1 1
281 1 . . . . . 2.3 1.8 2.8 1 1
282 1 . . . . . 2.3 1.8 2.8 1 1
283 1 . . . . . 2.8 1.8 3.3 1 1
284 1 . . . . . 2.8 1.8 3.3 1 1
285 1 . . . . . 3.3 1.8 4.3 1 1
286 1 . . . . . 3.8 1.8 4.8 1 1
287 1 . . . . . 3.3 1.8 4.3 1 1
288 1 . . . . . 3.3 1.8 4.3 1 1
289 1 . . . . . 2.8 1.8 3.3 1 1
290 1 . . . . . 2.3 1.8 2.8 1 1
291 1 . . . . . 3.3 1.8 4.3 1 1
292 1 . . . . . 3.8 1.8 4.8 1 1
293 1 . . . . . 3.8 1.8 4.8 1 1
294 1 . . . . . 3.8 1.8 4.8 1 1
295 1 . . . . . 2.8 1.8 3.3 1 1
296 1 . . . . . 2.3 1.8 2.8 1 1
297 1 . . . . . 2.3 1.8 2.8 1 1
298 1 . . . . . 2.8 1.8 3.3 1 1
299 1 . . . . . 3.3 1.8 4.3 1 1
300 1 . . . . . 3.3 1.8 4.3 1 1
301 1 . . . . . 2.8 1.8 3.3 1 1
302 1 . . . . . 3.3 1.8 4.3 1 1
303 1 . . . . . 2.8 1.8 3.3 1 1
304 1 . . . . . 2.8 1.8 3.3 1 1
305 1 . . . . . 3.8 1.8 4.8 1 1
306 1 . . . . . 3.8 1.8 4.8 1 1
307 1 . . . . . 3.3 1.8 4.3 1 1
308 1 . . . . . 3.3 1.8 4.3 1 1
309 1 . . . . . 2.8 1.8 3.3 1 1
310 1 . . . . . 2.8 1.8 3.3 1 1
311 1 . . . . . 2.8 1.8 3.3 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_9_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
106 1 . . . 1 2
107 1 . . . 1 2
108 1 . . . 1 2
109 1 . . . 1 2
110 1 . . . 1 2
111 1 . . . 1 2
112 1 . . . 1 2
113 1 . . . 1 2
114 1 . . . 1 2
115 1 . . . 1 2
116 1 . . . 1 2
117 1 . . . 1 2
118 1 . . . 1 2
119 1 . . . 1 2
120 1 . . . 1 2
121 1 . . . 1 2
122 1 . . . 1 2
123 1 . . . 1 2
124 1 . . . 1 2
125 1 . . . 1 2
126 1 . . . 1 2
127 1 . . . 1 2
128 1 . . . 1 2
129 1 . . . 1 2
130 1 . . . 1 2
131 1 . . . 1 2
132 1 . . . 1 2
133 1 . . . 1 2
134 1 . . . 1 2
135 1 . . . 1 2
136 1 . . . 1 2
137 1 . . . 1 2
138 1 . . . 1 2
139 1 . . . 1 2
140 1 . . . 1 2
141 1 . . . 1 2
142 1 . . . 1 2
143 1 . . . 1 2
144 1 . . . 1 2
145 1 . . . 1 2
146 1 . . . 1 2
147 1 . . . 1 2
148 1 . . . 1 2
149 1 . . . 1 2
150 1 . . . 1 2
151 1 . . . 1 2
152 1 . . . 1 2
153 1 . . . 1 2
154 1 . . . 1 2
155 1 . . . 1 2
156 1 . . . 1 2
157 1 . . . 1 2
158 1 . . . 1 2
159 1 . . . 1 2
160 1 . . . 1 2
161 1 . . . 1 2
162 1 . . . 1 2
163 1 . . . 1 2
164 1 . . . 1 2
165 1 . . . 1 2
166 1 . . . 1 2
167 1 . . . 1 2
168 1 . . . 1 2
169 1 . . . 1 2
170 1 . . . 1 2
171 1 . . . 1 2
172 1 . . . 1 2
173 1 . . . 1 2
174 1 . . . 1 2
175 1 . . . 1 2
176 1 . . . 1 2
177 1 . . . 1 2
178 1 . . . 1 2
179 1 . . . 1 2
180 1 . . . 1 2
181 1 . . . 1 2
182 1 . . . 1 2
183 1 . . . 1 2
184 1 . . . 1 2
185 1 . . . 1 2
186 1 . . . 1 2
187 1 . . . 1 2
188 1 . . . 1 2
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 4 LEU H . 13 . HN 1 2
1 1 2 1 1 4 LEU QB . 13 . HB# 1 2
2 1 1 1 1 4 LEU H . 13 . HN 1 2
2 1 2 1 1 4 LEU QD . 13 . HD## 1 2
3 1 1 1 1 5 GLU H . 14 . HN 1 2
3 1 2 1 1 5 GLU QB . 14 . HB# 1 2
4 1 1 1 1 5 GLU H . 14 . HN 1 2
4 1 2 1 1 5 GLU QG . 14 . HG# 1 2
5 1 1 1 1 4 LEU QB . 13 . HB# 1 2
5 1 2 1 1 5 GLU H . 14 . HN 1 2
6 1 1 1 1 4 LEU QD . 13 . HD# 1 2
6 1 2 1 1 5 GLU H . 14 . HN 1 2
7 1 1 1 1 5 GLU QB . 14 . HB# 1 2
7 1 2 1 1 6 THR H . 15 . HN 1 2
8 1 1 1 1 5 GLU QG . 14 . HG# 1 2
8 1 2 1 1 6 THR H . 15 . HN 1 2
9 1 1 1 1 6 THR H . 15 . HN 1 2
9 1 2 1 1 6 THR MG . 15 . HG2# 1 2
10 1 1 1 1 7 PHE H . 16 . HN 1 2
10 1 2 1 1 8 PRO QD . 17 . HD# 1 2
11 1 1 1 1 7 PHE H . 16 . HN 1 2
11 1 2 1 1 7 PHE QD . 16 . HD# 1 2
12 1 1 1 1 7 PHE H . 16 . HN 1 2
12 1 2 1 1 7 PHE QE . 16 . HE# 1 2
13 1 1 1 1 6 THR MG . 15 . HG2# 1 2
13 1 2 1 1 7 PHE H . 16 . HN 1 2
14 1 1 1 1 8 PRO QG . 17 . HG# 1 2
14 1 2 1 1 9 LEU H . 18 . HN 1 2
15 1 1 1 1 9 LEU H . 18 . HN 1 2
15 1 2 1 1 9 LEU QB . 18 . HB# 1 2
16 1 1 1 1 9 LEU H . 18 . HN 1 2
16 1 2 1 1 9 LEU QD . 18 . HD## 1 2
17 1 1 1 1 10 ASP H . 19 . HN 1 2
17 1 2 1 1 10 ASP QB . 19 . HB# 1 2
18 1 1 1 1 9 LEU QB . 18 . HB# 1 2
18 1 2 1 1 10 ASP H . 19 . HN 1 2
19 1 1 1 1 10 ASP H . 19 . HN 1 2
19 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 2
20 1 1 1 1 9 LEU QD . 18 . HD## 1 2
20 1 2 1 1 10 ASP H . 19 . HN 1 2
21 1 1 1 1 8 PRO QD . 17 . HD# 1 2
21 1 2 1 1 11 VAL H . 20 . HN 1 2
22 1 1 1 1 10 ASP QB . 19 . HB# 1 2
22 1 2 1 1 11 VAL H . 20 . HN 1 2
23 1 1 1 1 11 VAL H . 20 . HN 1 2
23 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 2
24 1 1 1 1 11 VAL H . 20 . HN 1 2
24 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 2
25 1 1 1 1 11 VAL MG1 . 20 . HG1# 1 2
25 1 2 1 1 12 LEU H . 21 . HN 1 2
26 1 1 1 1 11 VAL MG2 . 20 . HG2# 1 2
26 1 2 1 1 12 LEU H . 21 . HN 1 2
27 1 1 1 1 12 LEU H . 21 . HN 1 2
27 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 2
28 1 1 1 1 12 LEU H . 21 . HN 1 2
28 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 2
29 1 1 1 1 13 VAL H . 22 . HN 1 2
29 1 2 1 1 13 VAL MG1 . 22 . HG1# 1 2
30 1 1 1 1 13 VAL H . 22 . HN 1 2
30 1 2 1 1 13 VAL MG2 . 22 . HG2# 1 2
31 1 1 1 1 14 ASN QB . 23 . HB# 1 2
31 1 2 1 1 14 ASN QD . 23 . HD2# 1 2
32 1 1 1 1 13 VAL QG . 22 . HG## 1 2
32 1 2 1 1 14 ASN QD . 23 . HD2# 1 2
33 1 1 1 1 10 ASP HA . 19 . HA 1 2
33 1 2 1 1 14 ASN QD . 23 . HD2# 1 2
34 1 1 1 1 14 ASN QB . 23 . HB# 1 2
34 1 2 1 1 15 THR H . 24 . HN 1 2
35 1 1 1 1 15 THR H . 24 . HN 1 2
35 1 2 1 1 15 THR MG . 24 . HG2# 1 2
36 1 1 1 1 16 ALA H . 25 . HN 1 2
36 1 2 1 1 16 ALA MB . 25 . HB# 1 2
37 1 1 1 1 15 THR MG . 24 . HG2# 1 2
37 1 2 1 1 16 ALA H . 25 . HN 1 2
38 1 1 1 1 16 ALA MB . 25 . HB# 1 2
38 1 2 1 1 17 ALA H . 26 . HN 1 2
39 1 1 1 1 17 ALA H . 26 . HN 1 2
39 1 2 1 1 17 ALA MB . 26 . HB# 1 2
40 1 1 1 1 17 ALA H . 26 . HN 1 2
40 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 2
41 1 1 1 1 18 GLU H . 27 . HN 1 2
41 1 2 1 1 18 GLU QG . 27 . HG# 1 2
42 1 1 1 1 18 GLU H . 27 . HN 1 2
42 1 2 1 1 18 GLU QB . 27 . HB# 1 2
43 1 1 1 1 17 ALA MB . 26 . HB# 1 2
43 1 2 1 1 18 GLU H . 27 . HN 1 2
44 1 1 1 1 18 GLU QB . 27 . HB# 1 2
44 1 2 1 1 19 ASP H . 28 . HN 1 2
45 1 1 1 1 18 GLU QG . 27 . HG# 1 2
45 1 2 1 1 19 ASP H . 28 . HN 1 2
46 1 1 1 1 15 THR MG . 24 . HG2# 1 2
46 1 2 1 1 19 ASP H . 28 . HN 1 2
47 1 1 1 1 19 ASP H . 28 . HN 1 2
47 1 2 1 1 19 ASP QB . 28 . HB# 1 2
48 1 1 1 1 20 LEU H . 29 . HN 1 2
48 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 2
49 1 1 1 1 20 LEU H . 29 . HN 1 2
49 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 2
50 1 1 1 1 22 ARG H . 31 . HN 1 2
50 1 2 1 1 22 ARG QB . 31 . HB# 1 2
51 1 1 1 1 22 ARG H . 31 . HN 1 2
51 1 2 1 1 22 ARG QG . 31 . HG# 1 2
52 1 1 1 1 21 PRO QG . 30 . HG# 1 2
52 1 2 1 1 22 ARG H . 31 . HN 1 2
53 1 1 1 1 22 ARG H . 31 . HN 1 2
53 1 2 1 1 22 ARG QD . 31 . HD# 1 2
54 1 1 1 1 22 ARG QB . 31 . HB# 1 2
54 1 2 1 1 23 GLY H . 32 . HN 1 2
55 1 1 1 1 22 ARG QG . 31 . HG# 1 2
55 1 2 1 1 23 GLY H . 32 . HN 1 2
56 1 1 1 1 23 GLY QA . 32 . HA# 1 2
56 1 2 1 1 24 VAL H . 33 . HN 1 2
57 1 1 1 1 24 VAL H . 33 . HN 1 2
57 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 2
58 1 1 1 1 24 VAL H . 33 . HN 1 2
58 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 2
59 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 2
59 1 2 1 1 25 ASP H . 34 . HN 1 2
60 1 1 1 1 24 VAL MG2 . 33 . HG2# 1 2
60 1 2 1 1 25 ASP H . 34 . HN 1 2
61 1 1 1 1 25 ASP H . 34 . HN 1 2
61 1 2 1 1 25 ASP QB . 34 . HB# 1 2
62 1 1 1 1 26 PRO QB . 35 . HB# 1 2
62 1 2 1 1 27 SER H . 36 . HN 1 2
63 1 1 1 1 26 PRO QD . 35 . HD# 1 2
63 1 2 1 1 27 SER H . 36 . HN 1 2
64 1 1 1 1 25 ASP QB . 34 . HB# 1 2
64 1 2 1 1 27 SER H . 36 . HN 1 2
65 1 1 1 1 26 PRO QG . 35 . HG# 1 2
65 1 2 1 1 27 SER H . 36 . HN 1 2
66 1 1 1 1 28 ARG H . 37 . HN 1 2
66 1 2 1 1 28 ARG QG . 37 . HG# 1 2
67 1 1 1 1 25 ASP QB . 34 . HB# 1 2
67 1 2 1 1 28 ARG H . 37 . HN 1 2
68 1 1 1 1 29 LYS H . 38 . HN 1 2
68 1 2 1 1 29 LYS QB . 38 . HB# 1 2
69 1 1 1 1 29 LYS H . 38 . HN 1 2
69 1 2 1 1 29 LYS QG . 38 . HG# 1 2
70 1 1 1 1 29 LYS H . 38 . HN 1 2
70 1 2 1 1 29 LYS QD . 38 . HD# 1 2
71 1 1 1 1 29 LYS QB . 38 . HB# 1 2
71 1 2 1 1 30 GLU H . 39 . HN 1 2
72 1 1 1 1 31 ASN HB2 . 40 . HB2 1 2
72 1 2 1 1 31 ASN QD . 40 . HD2# 1 2
73 1 1 1 1 31 ASN HB3 . 40 . HB1 1 2
73 1 2 1 1 31 ASN QD . 40 . HD2# 1 2
74 1 1 1 1 28 ARG HB3 . 37 . HB1 1 2
74 1 2 1 1 31 ASN QD . 40 . HD2# 1 2
75 1 1 1 1 28 ARG HB2 . 37 . HB2 1 2
75 1 2 1 1 31 ASN QD . 40 . HD2# 1 2
76 1 1 1 1 28 ARG QG . 37 . HG# 1 2
76 1 2 1 1 31 ASN QD . 40 . HD2# 1 2
77 1 1 1 1 30 GLU QB . 39 . HB# 1 2
77 1 2 1 1 31 ASN H . 40 . HN 1 2
78 1 1 1 1 30 GLU QG . 39 . HG# 1 2
78 1 2 1 1 31 ASN H . 40 . HN 1 2
79 1 1 1 1 33 LEU H . 42 . HN 1 2
79 1 2 1 1 33 LEU MD1 . 42 . HD1# 1 2
80 1 1 1 1 33 LEU H . 42 . HN 1 2
80 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 2
81 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 2
81 1 2 1 1 34 SER H . 43 . HN 1 2
82 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 2
82 1 2 1 1 34 SER H . 43 . HN 1 2
83 1 1 1 1 35 ASP H . 44 . HN 1 2
83 1 2 1 1 35 ASP QB . 44 . HB# 1 2
84 1 1 1 1 34 SER QB . 43 . HB# 1 2
84 1 2 1 1 35 ASP H . 44 . HN 1 2
85 1 1 1 1 35 ASP QB . 44 . HB# 1 2
85 1 2 1 1 36 GLU H . 45 . HN 1 2
86 1 1 1 1 36 GLU H . 45 . HN 1 2
86 1 2 1 1 36 GLU QG . 45 . HG# 1 2
87 1 1 1 1 34 SER QB . 43 . HB# 1 2
87 1 2 1 1 36 GLU H . 45 . HN 1 2
88 1 1 1 1 36 GLU H . 45 . HN 1 2
88 1 2 1 1 36 GLU QB . 45 . HB# 1 2
89 1 1 1 1 36 GLU QB . 45 . HB# 1 2
89 1 2 1 1 37 ASP H . 46 . HN 1 2
90 1 1 1 1 34 SER QB . 43 . HB# 1 2
90 1 2 1 1 37 ASP H . 46 . HN 1 2
91 1 1 1 1 38 PHE H . 47 . HN 1 2
91 1 2 1 1 38 PHE QD . 47 . HD# 1 2
92 1 1 1 1 39 LYS H . 48 . HN 1 2
92 1 2 1 1 39 LYS QB . 48 . HB# 1 2
93 1 1 1 1 39 LYS H . 48 . HN 1 2
93 1 2 1 1 39 LYS QG . 48 . HG# 1 2
94 1 1 1 1 39 LYS H . 48 . HN 1 2
94 1 2 1 1 40 ALA MB . 49 . HB# 1 2
95 1 1 1 1 39 LYS QB . 48 . HB# 1 2
95 1 2 1 1 40 ALA H . 49 . HN 1 2
96 1 1 1 1 40 ALA H . 49 . HN 1 2
96 1 2 1 1 40 ALA MB . 49 . HB# 1 2
97 1 1 1 1 39 LYS QG . 48 . HG# 1 2
97 1 2 1 1 40 ALA H . 49 . HN 1 2
98 1 1 1 1 40 ALA H . 49 . HN 1 2
98 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 2
99 1 1 1 1 40 ALA H . 49 . HN 1 2
99 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 2
100 1 1 1 1 40 ALA MB . 49 . HB# 1 2
100 1 2 1 1 41 VAL H . 50 . HN 1 2
101 1 1 1 1 41 VAL H . 50 . HN 1 2
101 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 2
102 1 1 1 1 41 VAL H . 50 . HN 1 2
102 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 2
103 1 1 1 1 42 PHE H . 51 . HN 1 2
103 1 2 1 1 42 PHE QD . 51 . HD# 1 2
104 1 1 1 1 42 PHE H . 51 . HN 1 2
104 1 2 1 1 43 GLY QA . 52 . HA# 1 2
105 1 1 1 1 41 VAL MG2 . 50 . HG2# 1 2
105 1 2 1 1 42 PHE H . 51 . HN 1 2
106 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 2
106 1 2 1 1 42 PHE H . 51 . HN 1 2
107 1 1 1 1 43 GLY H . 52 . HN 1 2
107 1 2 1 1 43 GLY QA . 52 . HA# 1 2
108 1 1 1 1 43 GLY QA . 52 . HA# 1 2
108 1 2 1 1 44 MET H . 53 . HN 1 2
109 1 1 1 1 39 LYS QG . 48 . HG# 1 2
109 1 2 1 1 44 MET H . 53 . HN 1 2
110 1 1 1 1 39 LYS QB . 48 . HB# 1 2
110 1 2 1 1 44 MET H . 53 . HN 1 2
111 1 1 1 1 39 LYS QD . 48 . HD# 1 2
111 1 2 1 1 44 MET H . 53 . HN 1 2
112 1 1 1 1 44 MET H . 53 . HN 1 2
112 1 2 1 1 44 MET QG . 53 . HG# 1 2
113 1 1 1 1 44 MET H . 53 . HN 1 2
113 1 2 1 1 44 MET ME . 53 . HE# 1 2
114 1 1 1 1 44 MET QG . 53 . HG# 1 2
114 1 2 1 1 45 THR H . 54 . HN 1 2
115 1 1 1 1 44 MET ME . 53 . HE# 1 2
115 1 2 1 1 45 THR H . 54 . HN 1 2
116 1 1 1 1 45 THR H . 54 . HN 1 2
116 1 2 1 1 45 THR MG . 54 . HG2# 1 2
117 1 1 1 1 45 THR H . 54 . HN 1 2
117 1 2 1 1 48 ALA MB . 57 . HB# 1 2
118 1 1 1 1 45 THR MG . 54 . HG2# 1 2
118 1 2 1 1 46 ARG H . 55 . HN 1 2
119 1 1 1 1 46 ARG H . 55 . HN 1 2
119 1 2 1 1 46 ARG QG . 55 . HG# 1 2
120 1 1 1 1 47 SER H . 56 . HN 1 2
120 1 2 1 1 47 SER QB . 56 . HB# 1 2
121 1 1 1 1 47 SER QB . 56 . HB# 1 2
121 1 2 1 1 48 ALA H . 57 . HN 1 2
122 1 1 1 1 48 ALA H . 57 . HN 1 2
122 1 2 1 1 48 ALA MB . 57 . HB# 1 2
123 1 1 1 1 45 THR MG . 54 . HG2# 1 2
123 1 2 1 1 48 ALA H . 57 . HN 1 2
124 1 1 1 1 49 PHE H . 58 . HN 1 2
124 1 2 1 1 49 PHE QD . 58 . HD# 1 2
125 1 1 1 1 49 PHE H . 58 . HN 1 2
125 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 2
126 1 1 1 1 38 PHE QE . 47 . HE# 1 2
126 1 2 1 1 49 PHE H . 58 . HN 1 2
127 1 1 1 1 48 ALA MB . 57 . HB# 1 2
127 1 2 1 1 49 PHE H . 58 . HN 1 2
128 1 1 1 1 44 MET QG . 53 . HG# 1 2
128 1 2 1 1 49 PHE H . 58 . HN 1 2
129 1 1 1 1 49 PHE QD . 58 . HD# 1 2
129 1 2 1 1 50 ALA H . 59 . HN 1 2
130 1 1 1 1 50 ALA H . 59 . HN 1 2
130 1 2 1 1 50 ALA MB . 59 . HB# 1 2
131 1 1 1 1 50 ALA MB . 59 . HB# 1 2
131 1 2 1 1 51 ASN H . 60 . HN 1 2
132 1 1 1 1 51 ASN H . 60 . HN 1 2
132 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 2
133 1 1 1 1 51 ASN H . 60 . HN 1 2
133 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 2
134 1 1 1 1 51 ASN HB3 . 60 . HB1 1 2
134 1 2 1 1 51 ASN QD . 60 . HD2# 1 2
135 1 1 1 1 51 ASN HB2 . 60 . HB2 1 2
135 1 2 1 1 51 ASN QD . 60 . HD2# 1 2
136 1 1 1 1 50 ALA MB . 59 . HB# 1 2
136 1 2 1 1 52 LEU H . 61 . HN 1 2
137 1 1 1 1 52 LEU H . 61 . HN 1 2
137 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 2
138 1 1 1 1 52 LEU H . 61 . HN 1 2
138 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 2
139 1 1 1 1 54 LEU QB . 63 . HB# 1 2
139 1 2 1 1 55 TRP H . 64 . HN 1 2
140 1 1 1 1 54 LEU QD . 63 . HD## 1 2
140 1 2 1 1 55 TRP H . 64 . HN 1 2
141 1 1 1 1 56 LYS H . 65 . HN 1 2
141 1 2 1 1 56 LYS QG . 65 . HG# 1 2
142 1 1 1 1 53 PRO QG . 62 . HG# 1 2
142 1 2 1 1 56 LYS H . 65 . HN 1 2
143 1 1 1 1 53 PRO QD . 62 . HD# 1 2
143 1 2 1 1 56 LYS H . 65 . HN 1 2
144 1 1 1 1 56 LYS H . 65 . HN 1 2
144 1 2 1 1 56 LYS QB . 65 . HB# 1 2
145 1 1 1 1 57 GLN H . 66 . HN 1 2
145 1 2 1 1 57 GLN QG . 66 . HG# 1 2
146 1 1 1 1 56 LYS QG . 65 . HG# 1 2
146 1 2 1 1 57 GLN H . 66 . HN 1 2
147 1 1 1 1 56 LYS QB . 65 . HB# 1 2
147 1 2 1 1 57 GLN H . 66 . HN 1 2
148 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 2
148 1 2 1 1 57 GLN H . 66 . HN 1 2
149 1 1 1 1 50 ALA HA . 59 . HA 1 2
149 1 2 1 1 57 GLN QE . 66 . HE2# 1 2
150 1 1 1 1 56 LYS QG . 65 . HG# 1 2
150 1 2 1 1 57 GLN QE . 66 . HE2# 1 2
151 1 1 1 1 57 GLN QE . 66 . HE2# 1 2
151 1 2 1 1 57 GLN QG . 66 . HG# 1 2
152 1 1 1 1 57 GLN HA . 66 . HA 1 2
152 1 2 1 1 57 GLN QE . 66 . HE2# 1 2
153 1 1 1 1 58 GLN H . 67 . HN 1 2
153 1 2 1 1 58 GLN QG . 67 . HG# 1 2
154 1 1 1 1 57 GLN QG . 66 . HG# 1 2
154 1 2 1 1 58 GLN H . 67 . HN 1 2
155 1 1 1 1 54 LEU QD . 63 . HD## 1 2
155 1 2 1 1 58 GLN H . 67 . HN 1 2
156 1 1 1 1 56 LYS QG . 65 . HG# 1 2
156 1 2 1 1 58 GLN H . 67 . HN 1 2
157 1 1 1 1 54 LEU QD . 63 . HD## 1 2
157 1 2 1 1 58 GLN QE . 67 . HE2# 1 2
158 1 1 1 1 59 ASN H . 68 . HN 1 2
158 1 2 1 1 59 ASN QB . 68 . HB# 1 2
159 1 1 1 1 59 ASN QB . 68 . HB# 1 2
159 1 2 1 1 59 ASN QD . 68 . HD2# 1 2
160 1 1 1 1 56 LYS HA . 65 . HA 1 2
160 1 2 1 1 59 ASN QD . 68 . HD2# 1 2
161 1 1 1 1 59 ASN QB . 68 . HB# 1 2
161 1 2 1 1 60 LEU H . 69 . HN 1 2
162 1 1 1 1 60 LEU H . 69 . HN 1 2
162 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 2
163 1 1 1 1 60 LEU H . 69 . HN 1 2
163 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 2
164 1 1 1 1 49 PHE QE . 58 . HE# 1 2
164 1 2 1 1 60 LEU H . 69 . HN 1 2
165 1 1 1 1 59 ASN QB . 68 . HB# 1 2
165 1 2 1 1 61 LYS H . 70 . HN 1 2
166 1 1 1 1 42 PHE QE . 51 . HE# 1 2
166 1 2 1 1 61 LYS H . 70 . HN 1 2
167 1 1 1 1 61 LYS H . 70 . HN 1 2
167 1 2 1 1 61 LYS QG . 70 . HG# 1 2
168 1 1 1 1 61 LYS H . 70 . HN 1 2
168 1 2 1 1 61 LYS QB . 70 . HB# 1 2
169 1 1 1 1 61 LYS QB . 70 . HB# 1 2
169 1 2 1 1 62 LYS H . 71 . HN 1 2
170 1 1 1 1 62 LYS H . 71 . HN 1 2
170 1 2 1 1 62 LYS QB . 71 . HB# 1 2
171 1 1 1 1 62 LYS H . 71 . HN 1 2
171 1 2 1 1 62 LYS QG . 71 . HG# 1 2
172 1 1 1 1 62 LYS QG . 71 . HG# 1 2
172 1 2 1 1 63 GLU H . 72 . HN 1 2
173 1 1 1 1 63 GLU H . 72 . HN 1 2
173 1 2 1 1 63 GLU QG . 72 . HG# 1 2
174 1 1 1 1 62 LYS QB . 71 . HB# 1 2
174 1 2 1 1 63 GLU H . 72 . HN 1 2
175 1 1 1 1 62 LYS QD . 71 . HD# 1 2
175 1 2 1 1 63 GLU H . 72 . HN 1 2
176 1 1 1 1 64 LYS H . 73 . HN 1 2
176 1 2 1 1 64 LYS QB . 73 . HB# 1 2
177 1 1 1 1 64 LYS H . 73 . HN 1 2
177 1 2 1 1 64 LYS QD . 73 . HD# 1 2
178 1 1 1 1 65 GLY H . 74 . HN 1 2
178 1 2 1 1 65 GLY QA . 74 . HA# 1 2
179 1 1 1 1 64 LYS QD . 73 . HD# 1 2
179 1 2 1 1 65 GLY H . 74 . HN 1 2
180 1 1 1 1 64 LYS QB . 73 . HB# 1 2
180 1 2 1 1 65 GLY H . 74 . HN 1 2
181 1 1 1 1 65 GLY QA . 74 . HA# 1 2
181 1 2 1 1 66 LEU H . 75 . HN 1 2
182 1 1 1 1 66 LEU H . 75 . HN 1 2
182 1 2 1 1 66 LEU QD . 75 . HD## 1 2
183 1 1 1 1 66 LEU H . 75 . HN 1 2
183 1 2 1 1 66 LEU QB . 75 . HB# 1 2
184 1 1 1 1 64 LYS QB . 73 . HB# 1 2
184 1 2 1 1 66 LEU H . 75 . HN 1 2
185 1 1 1 1 67 PHE H . 76 . HN 1 2
185 1 2 1 1 67 PHE QD . 76 . HD# 1 2
186 1 1 1 1 66 LEU QD . 75 . HD## 1 2
186 1 2 1 1 67 PHE H . 76 . HN 1 2
187 1 1 1 1 66 LEU QB . 75 . HB# 1 2
187 1 2 1 1 67 PHE H . 76 . HN 1 2
188 1 1 1 1 61 LYS QB . 70 . HB# 1 2
188 1 2 1 1 67 PHE H . 76 . HN 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 . . . . . 2.8 1.8 3.8 1 2
2 1 . . . . . 3.3 1.8 4.8 1 2
3 1 . . . . . 2.8 1.8 3.8 1 2
4 1 . . . . . 3.8 1.8 5.3 1 2
5 1 . . . . . 3.3 1.8 4.8 1 2
6 1 . . . . . 3.3 1.8 4.8 1 2
7 1 . . . . . 3.3 1.8 4.8 1 2
8 1 . . . . . 3.8 1.8 5.3 1 2
9 1 . . . . . 3.3 1.8 4.8 1 2
10 1 . . . . . 3.3 1.8 4.8 1 2
11 1 . . . . . 3.3 1.8 4.8 1 2
12 1 . . . . . 2.8 1.8 3.8 1 2
13 1 . . . . . 3.3 1.8 4.8 1 2
14 1 . . . . . 3.8 1.8 5.3 1 2
15 1 . . . . . 2.3 1.8 3.3 1 2
16 1 . . . . . 2.8 1.8 3.8 1 2
17 1 . . . . . 2.3 1.8 3.3 1 2
18 1 . . . . . 2.8 1.8 3.8 1 2
19 1 . . . . . 3.3 1.8 4.3 1 2
20 1 . . . . . 3.3 1.8 4.8 1 2
21 1 . . . . . 3.8 1.8 5.3 1 2
22 1 . . . . . 3.3 1.8 4.8 1 2
23 1 . . . . . 2.8 1.8 3.8 1 2
24 1 . . . . . 3.3 1.8 4.8 1 2
25 1 . . . . . 3.3 1.8 4.8 1 2
26 1 . . . . . 3.3 1.8 4.8 1 2
27 1 . . . . . 3.3 1.8 4.8 1 2
28 1 . . . . . 3.3 1.8 4.8 1 2
29 1 . . . . . 2.8 1.8 3.8 1 2
30 1 . . . . . 2.8 1.8 4.0 1 2
31 1 . . . . . 2.8 1.8 3.8 1 2
32 1 . . . . . 3.3 1.8 4.8 1 2
33 1 . . . . . 3.8 1.8 5.3 1 2
34 1 . . . . . 3.8 1.8 5.3 1 2
35 1 . . . . . 3.3 1.8 4.8 1 2
36 1 . . . . . 2.3 1.8 3.3 1 2
37 1 . . . . . 2.8 1.8 3.8 1 2
38 1 . . . . . 2.3 1.8 3.3 1 2
39 1 . . . . . 2.3 1.8 3.3 1 2
40 1 . . . . . 3.8 1.8 5.3 1 2
41 1 . . . . . 2.8 1.8 3.8 1 2
42 1 . . . . . 2.3 1.8 3.3 1 2
43 1 . . . . . 2.3 1.8 3.3 1 2
44 1 . . . . . 3.3 1.8 4.8 1 2
45 1 . . . . . 3.3 1.8 4.8 1 2
46 1 . . . . . 3.8 1.8 5.3 1 2
47 1 . . . . . 3.3 1.8 4.8 1 2
48 1 . . . . . 2.8 1.8 3.8 1 2
49 1 . . . . . 3.3 1.8 4.8 1 2
50 1 . . . . . 2.3 1.8 3.3 1 2
51 1 . . . . . 2.8 1.8 3.8 1 2
52 1 . . . . . 3.8 1.8 5.3 1 2
53 1 . . . . . 3.8 1.8 5.3 1 2
54 1 . . . . . 3.3 1.8 4.8 1 2
55 1 . . . . . 3.8 1.8 5.3 1 2
56 1 . . . . . 3.8 1.8 5.3 1 2
57 1 . . . . . 3.3 1.8 4.8 1 2
58 1 . . . . . 2.8 1.8 3.8 1 2
59 1 . . . . . 3.3 1.8 4.8 1 2
60 1 . . . . . 3.3 1.8 4.8 1 2
61 1 . . . . . 2.8 1.8 3.8 1 2
62 1 . . . . . 3.3 1.8 4.8 1 2
63 1 . . . . . 3.3 1.8 4.8 1 2
64 1 . . . . . 3.8 1.8 5.3 1 2
65 1 . . . . . 2.8 1.8 3.8 1 2
66 1 . . . . . 3.8 1.8 5.3 1 2
67 1 . . . . . 3.8 1.8 5.3 1 2
68 1 . . . . . 2.8 1.8 3.8 1 2
69 1 . . . . . 3.3 1.8 4.8 1 2
70 1 . . . . . 3.3 1.8 4.8 1 2
71 1 . . . . . 3.3 1.8 4.8 1 2
72 1 . . . . . 3.3 1.8 4.8 1 2
73 1 . . . . . 3.3 1.8 4.8 1 2
74 1 . . . . . 3.8 1.8 5.3 1 2
75 1 . . . . . 3.3 1.8 4.8 1 2
76 1 . . . . . 3.8 1.8 5.3 1 2
77 1 . . . . . 3.8 1.8 5.3 1 2
78 1 . . . . . 3.3 1.8 4.8 1 2
79 1 . . . . . 3.3 1.8 4.8 1 2
80 1 . . . . . 3.8 1.8 5.3 1 2
81 1 . . . . . 3.3 1.8 4.8 1 2
82 1 . . . . . 3.3 1.8 4.8 1 2
83 1 . . . . . 2.8 1.8 3.8 1 2
84 1 . . . . . 2.8 1.8 3.8 1 2
85 1 . . . . . 2.8 1.8 3.8 1 2
86 1 . . . . . 3.3 1.8 4.8 1 2
87 1 . . . . . 3.3 1.8 4.8 1 2
88 1 . . . . . 2.3 1.8 3.3 1 2
89 1 . . . . . 2.8 1.8 3.8 1 2
90 1 . . . . . 3.8 1.8 5.3 1 2
91 1 . . . . . 3.3 1.8 4.8 1 2
92 1 . . . . . 2.3 1.8 3.3 1 2
93 1 . . . . . 2.3 1.8 3.3 1 2
94 1 . . . . . 3.8 1.8 5.3 1 2
95 1 . . . . . 2.8 1.8 3.8 1 2
96 1 . . . . . 2.3 1.8 3.3 1 2
97 1 . . . . . 3.8 1.8 5.3 1 2
98 1 . . . . . 3.3 1.8 4.8 1 2
99 1 . . . . . 3.8 1.8 5.3 1 2
100 1 . . . . . 2.3 1.8 3.3 1 2
101 1 . . . . . 2.3 1.8 3.3 1 2
102 1 . . . . . 3.3 1.8 4.8 1 2
103 1 . . . . . 2.8 1.8 3.8 1 2
104 1 . . . . . 3.3 1.8 4.8 1 2
105 1 . . . . . 3.3 1.8 4.8 1 2
106 1 . . . . . 2.8 1.8 3.8 1 2
107 1 . . . . . 2.3 1.8 3.3 1 2
108 1 . . . . . 2.8 1.8 3.8 1 2
109 1 . . . . . 3.3 1.8 4.8 1 2
110 1 . . . . . 3.8 1.8 5.3 1 2
111 1 . . . . . 3.8 1.8 5.3 1 2
112 1 . . . . . 3.3 1.8 4.8 1 2
113 1 . . . . . 3.3 1.8 4.8 1 2
114 1 . . . . . 3.3 1.8 4.8 1 2
115 1 . . . . . 2.8 1.8 3.8 1 2
116 1 . . . . . 2.3 1.8 3.3 1 2
117 1 . . . . . 2.8 1.8 3.8 1 2
118 1 . . . . . 2.8 1.8 3.8 1 2
119 1 . . . . . 3.3 1.8 4.8 1 2
120 1 . . . . . 3.3 1.8 4.8 1 2
121 1 . . . . . 3.3 1.8 4.8 1 2
122 1 . . . . . 2.3 1.8 3.3 1 2
123 1 . . . . . 3.3 1.8 4.8 1 2
124 1 . . . . . 2.8 1.8 3.8 1 2
125 1 . . . . . 3.8 1.8 5.3 1 2
126 1 . . . . . 3.3 1.8 4.8 1 2
127 1 . . . . . 2.3 1.8 3.3 1 2
128 1 . . . . . 3.3 1.8 4.3 1 2
129 1 . . . . . 3.3 1.8 4.8 1 2
130 1 . . . . . 2.3 1.8 3.3 1 2
131 1 . . . . . 3.3 1.8 4.8 1 2
132 1 . . . . . 3.8 1.8 5.3 1 2
133 1 . . . . . 3.8 1.8 5.3 1 2
134 1 . . . . . 3.3 1.8 4.8 1 2
135 1 . . . . . 3.3 1.8 4.8 1 2
136 1 . . . . . 3.3 1.8 4.8 1 2
137 1 . . . . . 2.8 1.8 3.8 1 2
138 1 . . . . . 3.3 1.8 4.8 1 2
139 1 . . . . . 2.8 1.8 3.8 1 2
140 1 . . . . . 3.3 1.8 4.8 1 2
141 1 . . . . . 3.3 1.8 4.8 1 2
142 1 . . . . . 3.3 1.8 4.8 1 2
143 1 . . . . . 3.8 1.8 5.3 1 2
144 1 . . . . . 2.8 1.8 3.8 1 2
145 1 . . . . . 3.3 1.8 4.8 1 2
146 1 . . . . . 3.3 1.8 4.8 1 2
147 1 . . . . . 3.3 1.8 4.8 1 2
148 1 . . . . . 3.8 1.8 5.3 1 2
149 1 . . . . . 3.3 1.8 4.8 1 2
150 1 . . . . . 3.3 1.8 4.8 1 2
151 1 . . . . . 2.8 1.8 3.8 1 2
152 1 . . . . . 3.3 1.8 4.8 1 2
153 1 . . . . . 2.8 1.8 3.8 1 2
154 1 . . . . . 3.3 1.8 4.8 1 2
155 1 . . . . . 3.3 1.8 4.8 1 2
156 1 . . . . . 3.8 1.8 5.3 1 2
157 1 . . . . . 3.3 1.8 4.8 1 2
158 1 . . . . . 2.3 1.8 3.3 1 2
159 1 . . . . . 2.8 1.8 3.8 1 2
160 1 . . . . . 3.8 1.8 5.3 1 2
161 1 . . . . . 2.3 1.8 3.3 1 2
162 1 . . . . . 2.8 1.8 3.8 1 2
163 1 . . . . . 2.8 1.8 3.8 1 2
164 1 . . . . . 3.8 1.8 5.3 1 2
165 1 . . . . . 3.3 1.8 4.8 1 2
166 1 . . . . . 3.8 1.8 5.3 1 2
167 1 . . . . . 2.8 1.8 3.8 1 2
168 1 . . . . . 2.3 1.8 3.3 1 2
169 1 . . . . . 2.8 1.8 3.8 1 2
170 1 . . . . . 2.3 1.8 3.3 1 2
171 1 . . . . . 2.8 1.8 3.8 1 2
172 1 . . . . . 3.8 1.8 5.3 1 2
173 1 . . . . . 2.8 1.8 3.8 1 2
174 1 . . . . . 2.3 1.8 3.3 1 2
175 1 . . . . . 3.8 1.8 5.3 1 2
176 1 . . . . . 2.8 1.8 3.8 1 2
177 1 . . . . . 3.3 1.8 4.8 1 2
178 1 . . . . . 2.3 1.8 3.3 1 2
179 1 . . . . . 3.3 1.8 4.8 1 2
180 1 . . . . . 3.8 1.8 5.3 1 2
181 1 . . . . . 3.3 1.8 4.8 1 2
182 1 . . . . . 3.3 1.8 4.8 1 2
183 1 . . . . . 2.8 1.8 3.8 1 2
184 1 . . . . . 3.8 1.8 5.3 1 2
185 1 . . . . . 3.3 1.8 4.8 1 2
186 1 . . . . . 3.8 1.8 5.3 1 2
187 1 . . . . . 3.3 1.8 4.8 1 2
188 1 . . . . . 3.8 1.8 5.3 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_11_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
27 1 . . . 1 3
28 1 . . . 1 3
29 1 . . . 1 3
30 1 . . . 1 3
31 1 . . . 1 3
32 1 . . . 1 3
33 1 . . . 1 3
34 1 . . . 1 3
35 1 . . . 1 3
36 1 . . . 1 3
37 1 . . . 1 3
38 1 . . . 1 3
39 1 . . . 1 3
40 1 . . . 1 3
41 1 . . . 1 3
42 1 . . . 1 3
43 1 . . . 1 3
44 1 . . . 1 3
45 1 . . . 1 3
46 1 . . . 1 3
47 1 . . . 1 3
48 1 . . . 1 3
49 1 . . . 1 3
50 1 . . . 1 3
51 1 . . . 1 3
52 1 . . . 1 3
53 1 . . . 1 3
54 1 . . . 1 3
55 1 . . . 1 3
56 1 . . . 1 3
57 1 . . . 1 3
58 1 . . . 1 3
59 1 . . . 1 3
60 1 . . . 1 3
61 1 . . . 1 3
62 1 . . . 1 3
63 1 . . . 1 3
64 1 . . . 1 3
65 1 . . . 1 3
66 1 . . . 1 3
67 1 . . . 1 3
68 1 . . . 1 3
69 1 . . . 1 3
70 1 . . . 1 3
71 1 . . . 1 3
72 1 . . . 1 3
73 1 . . . 1 3
74 1 . . . 1 3
75 1 . . . 1 3
76 1 . . . 1 3
77 1 . . . 1 3
78 1 . . . 1 3
79 1 . . . 1 3
80 1 . . . 1 3
81 1 . . . 1 3
82 1 . . . 1 3
83 1 . . . 1 3
84 1 . . . 1 3
85 1 . . . 1 3
86 1 . . . 1 3
87 1 . . . 1 3
88 1 . . . 1 3
89 1 . . . 1 3
90 1 . . . 1 3
91 1 . . . 1 3
92 1 . . . 1 3
93 1 . . . 1 3
94 1 . . . 1 3
95 1 . . . 1 3
96 1 . . . 1 3
97 1 . . . 1 3
98 1 . . . 1 3
99 1 . . . 1 3
100 1 . . . 1 3
101 1 . . . 1 3
102 1 . . . 1 3
103 1 . . . 1 3
104 1 . . . 1 3
105 1 . . . 1 3
106 1 . . . 1 3
107 1 . . . 1 3
108 1 . . . 1 3
109 1 . . . 1 3
110 1 . . . 1 3
111 1 . . . 1 3
112 1 . . . 1 3
113 1 . . . 1 3
114 1 . . . 1 3
115 1 . . . 1 3
116 1 . . . 1 3
117 1 . . . 1 3
118 1 . . . 1 3
119 1 . . . 1 3
120 1 . . . 1 3
121 1 . . . 1 3
122 1 . . . 1 3
123 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 2 THR HA . 11 . HA 1 3
1 1 2 1 1 2 THR HB . 11 . HB 1 3
2 1 1 1 1 7 PHE H . 16 . HN 1 3
2 1 2 1 1 32 HIS HA . 41 . HA 1 3
3 1 1 1 1 7 PHE H . 16 . HN 1 3
3 1 2 1 1 32 HIS HB3 . 41 . HB1 1 3
4 1 1 1 1 7 PHE H . 16 . HN 1 3
4 1 2 1 1 32 HIS HB2 . 41 . HB2 1 3
5 1 1 1 1 7 PHE H . 16 . HN 1 3
5 1 2 1 1 33 LEU HA . 42 . HA 1 3
6 1 1 1 1 7 PHE HA . 16 . HA 1 3
6 1 2 1 1 8 PRO HB3 . 17 . HB1 1 3
7 1 1 1 1 9 LEU HA . 18 . HA 1 3
7 1 2 1 1 12 LEU HB2 . 21 . HB2 1 3
8 1 1 1 1 9 LEU HA . 18 . HA 1 3
8 1 2 1 1 33 LEU HA . 42 . HA 1 3
9 1 1 1 1 8 PRO HA . 17 . HA 1 3
9 1 2 1 1 9 LEU HA . 18 . HA 1 3
10 1 1 1 1 11 VAL HA . 20 . HA 1 3
10 1 2 1 1 11 VAL HB . 20 . HB 1 3
11 1 1 1 1 12 LEU HA . 21 . HA 1 3
11 1 2 1 1 12 LEU HG . 21 . HG 1 3
12 1 1 1 1 10 ASP HA . 19 . HA 1 3
12 1 2 1 1 12 LEU H . 21 . HN 1 3
13 1 1 1 1 12 LEU HB2 . 21 . HB2 1 3
13 1 2 1 1 12 LEU HG . 21 . HG 1 3
14 1 1 1 1 31 ASN H . 40 . HN 1 3
14 1 2 1 1 32 HIS HD2 . 41 . HD2 1 3
15 1 1 1 1 24 VAL HA . 33 . HA 1 3
15 1 2 1 1 32 HIS HD2 . 41 . HD2 1 3
16 1 1 1 1 34 SER HA . 43 . HA 1 3
16 1 2 1 1 37 ASP HB3 . 46 . HB1 1 3
17 1 1 1 1 36 GLU H . 45 . HN 1 3
17 1 2 1 1 37 ASP HA . 46 . HA 1 3
18 1 1 1 1 42 PHE HZ . 51 . HZ 1 3
18 1 2 1 1 60 LEU HB3 . 69 . HB1 1 3
19 1 1 1 1 42 PHE HZ . 51 . HZ 1 3
19 1 2 1 1 66 LEU HG . 75 . HG 1 3
20 1 1 1 1 30 GLU HA . 39 . HA 1 3
20 1 2 1 1 42 PHE HZ . 51 . HZ 1 3
21 1 1 1 1 48 ALA HA . 57 . HA 1 3
21 1 2 1 1 51 ASN HB3 . 60 . HB1 1 3
22 1 1 1 1 48 ALA HA . 57 . HA 1 3
22 1 2 1 1 51 ASN HB2 . 60 . HB2 1 3
23 1 1 1 1 52 LEU HA . 61 . HA 1 3
23 1 2 1 1 52 LEU HB2 . 61 . HB2 1 3
24 1 1 1 1 52 LEU HA . 61 . HA 1 3
24 1 2 1 1 52 LEU HG . 61 . HG 1 3
25 1 1 1 1 55 TRP HA . 64 . HA 1 3
25 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
26 1 1 1 1 60 LEU HB3 . 69 . HB1 1 3
26 1 2 1 1 60 LEU HG . 69 . HG 1 3
27 1 1 1 1 63 GLU HA . 72 . HA 1 3
27 1 2 1 1 63 GLU HB3 . 72 . HB1 1 3
28 1 1 1 1 63 GLU HA . 72 . HA 1 3
28 1 2 1 1 63 GLU HB2 . 72 . HB2 1 3
29 1 1 1 1 38 PHE HZ . 47 . HZ 1 3
29 1 2 1 1 49 PHE HB3 . 58 . HB1 1 3
30 1 1 1 1 38 PHE HZ . 47 . HZ 1 3
30 1 2 1 1 49 PHE HB2 . 58 . HB2 1 3
31 1 1 1 1 44 MET HA . 53 . HA 1 3
31 1 2 1 1 44 MET HB3 . 53 . HB1 1 3
32 1 1 1 1 44 MET HA . 53 . HA 1 3
32 1 2 1 1 44 MET HB2 . 53 . HB2 1 3
33 1 1 1 1 49 PHE HA . 58 . HA 1 3
33 1 2 1 1 49 PHE HB3 . 58 . HB1 1 3
34 1 1 1 1 49 PHE HA . 58 . HA 1 3
34 1 2 1 1 49 PHE HB2 . 58 . HB2 1 3
35 1 1 1 1 13 VAL HA . 22 . HA 1 3
35 1 2 1 1 13 VAL HB . 22 . HB 1 3
36 1 1 1 1 67 PHE HA . 76 . HA 1 3
36 1 2 1 1 67 PHE HB2 . 76 . HB2 1 3
37 1 1 1 1 12 LEU HB3 . 21 . HB1 1 3
37 1 2 1 1 12 LEU HG . 21 . HG 1 3
38 1 1 1 1 54 LEU HA . 63 . HA 1 3
38 1 2 1 1 54 LEU HG . 63 . HG 1 3
39 1 1 1 1 41 VAL HA . 50 . HA 1 3
39 1 2 1 1 41 VAL HB . 50 . HB 1 3
40 1 1 1 1 53 PRO HA . 62 . HA 1 3
40 1 2 1 1 53 PRO HB3 . 62 . HB1 1 3
41 1 1 1 1 67 PHE HA . 76 . HA 1 3
41 1 2 1 1 67 PHE HB3 . 76 . HB1 1 3
42 1 1 1 1 37 ASP HA . 46 . HA 1 3
42 1 2 1 1 37 ASP HB2 . 46 . HB2 1 3
43 1 1 1 1 6 THR HA . 15 . HA 1 3
43 1 2 1 1 6 THR HB . 15 . HB 1 3
44 1 1 1 1 46 ARG HA . 55 . HA 1 3
44 1 2 1 1 46 ARG HB3 . 55 . HB1 1 3
45 1 1 1 1 55 TRP HZ3 . 64 . HZ3 1 3
45 1 2 1 1 56 LYS HA . 65 . HA 1 3
46 1 1 1 1 55 TRP HA . 64 . HA 1 3
46 1 2 1 1 56 LYS HA . 65 . HA 1 3
47 1 1 1 1 28 ARG H . 37 . HN 1 3
47 1 2 1 1 28 ARG HA . 37 . HA 1 3
48 1 1 1 1 9 LEU HA . 18 . HA 1 3
48 1 2 1 1 9 LEU HG . 18 . HG 1 3
49 1 1 1 1 31 ASN HB3 . 40 . HB1 1 3
49 1 2 1 1 32 HIS HD2 . 41 . HD2 1 3
50 1 1 1 1 55 TRP HE3 . 64 . HE3 1 3
50 1 2 1 1 56 LYS HA . 65 . HA 1 3
51 1 1 1 1 20 LEU HB3 . 29 . HB1 1 3
51 1 2 1 1 20 LEU HG . 29 . HG 1 3
52 1 1 1 1 20 LEU HA . 29 . HA 1 3
52 1 2 1 1 24 VAL HB . 33 . HB 1 3
53 1 1 1 1 19 ASP H . 28 . HN 1 3
53 1 2 1 1 19 ASP HA . 28 . HA 1 3
54 1 1 1 1 46 ARG HA . 55 . HA 1 3
54 1 2 1 1 46 ARG HB2 . 55 . HB2 1 3
55 1 1 1 1 53 PRO HB2 . 62 . HB2 1 3
55 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
56 1 1 1 1 53 PRO HB3 . 62 . HB1 1 3
56 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
57 1 1 1 1 12 LEU HB3 . 21 . HB1 1 3
57 1 2 1 1 20 LEU HA . 29 . HA 1 3
58 1 1 1 1 37 ASP HA . 46 . HA 1 3
58 1 2 1 1 37 ASP HB3 . 46 . HB1 1 3
59 1 1 1 1 31 ASN HB2 . 40 . HB2 1 3
59 1 2 1 1 32 HIS HD2 . 41 . HD2 1 3
60 1 1 1 1 49 PHE HZ . 58 . HZ 1 3
60 1 2 1 1 57 GLN HA . 66 . HA 1 3
61 1 1 1 1 24 VAL HA . 33 . HA 1 3
61 1 2 1 1 32 HIS HE1 . 41 . HE1 1 3
62 1 1 1 1 42 PHE HZ . 51 . HZ 1 3
62 1 2 1 1 61 LYS HA . 70 . HA 1 3
63 1 1 1 1 38 PHE HZ . 47 . HZ 1 3
63 1 2 1 1 46 ARG HA . 55 . HA 1 3
64 1 1 1 1 45 THR HA . 54 . HA 1 3
64 1 2 1 1 46 ARG HA . 55 . HA 1 3
65 1 1 1 1 45 THR HA . 54 . HA 1 3
65 1 2 1 1 45 THR HB . 54 . HB 1 3
66 1 1 1 1 46 ARG HA . 55 . HA 1 3
66 1 2 1 1 49 PHE HA . 58 . HA 1 3
67 1 1 1 1 38 PHE HZ . 47 . HZ 1 3
67 1 2 1 1 49 PHE HA . 58 . HA 1 3
68 1 1 1 1 45 THR HB . 54 . HB 1 3
68 1 2 1 1 48 ALA H . 57 . HN 1 3
69 1 1 1 1 12 LEU HG . 21 . HG 1 3
69 1 2 1 1 13 VAL H . 22 . HN 1 3
70 1 1 1 1 28 ARG HA . 37 . HA 1 3
70 1 2 1 1 29 LYS H . 38 . HN 1 3
71 1 1 1 1 6 THR H . 15 . HN 1 3
71 1 2 1 1 6 THR HB . 15 . HB 1 3
72 1 1 1 1 60 LEU HA . 69 . HA 1 3
72 1 2 1 1 60 LEU HG . 69 . HG 1 3
73 1 1 1 1 45 THR H . 54 . HN 1 3
73 1 2 1 1 46 ARG H . 55 . HN 1 3
74 1 1 1 1 39 LYS HA . 48 . HA 1 3
74 1 2 1 1 45 THR H . 54 . HN 1 3
75 1 1 1 1 19 ASP HA . 28 . HA 1 3
75 1 2 1 1 20 LEU H . 29 . HN 1 3
76 1 1 1 1 60 LEU HA . 69 . HA 1 3
76 1 2 1 1 63 GLU H . 72 . HN 1 3
77 1 1 1 1 54 LEU H . 63 . HN 1 3
77 1 2 1 1 55 TRP H . 64 . HN 1 3
78 1 1 1 1 16 ALA HA . 25 . HA 1 3
78 1 2 1 1 19 ASP H . 28 . HN 1 3
79 1 1 1 1 49 PHE HA . 58 . HA 1 3
79 1 2 1 1 52 LEU HG . 61 . HG 1 3
80 1 1 1 1 15 THR HB . 24 . HB 1 3
80 1 2 1 1 16 ALA H . 25 . HN 1 3
81 1 1 1 1 33 LEU HB3 . 42 . HB1 1 3
81 1 2 1 1 34 SER H . 43 . HN 1 3
82 1 1 1 1 33 LEU HG . 42 . HG 1 3
82 1 2 1 1 34 SER H . 43 . HN 1 3
83 1 1 1 1 34 SER H . 43 . HN 1 3
83 1 2 1 1 37 ASP HB3 . 46 . HB1 1 3
84 1 1 1 1 53 PRO HB2 . 62 . HB2 1 3
84 1 2 1 1 55 TRP HE1 . 64 . HE1 1 3
85 1 1 1 1 15 THR H . 24 . HN 1 3
85 1 2 1 1 16 ALA H . 25 . HN 1 3
86 1 1 1 1 16 ALA H . 25 . HN 1 3
86 1 2 1 1 17 ALA H . 26 . HN 1 3
87 1 1 1 1 53 PRO HB3 . 62 . HB1 1 3
87 1 2 1 1 55 TRP HE1 . 64 . HE1 1 3
88 1 1 1 1 53 PRO HB3 . 62 . HB1 1 3
88 1 2 1 1 54 LEU H . 63 . HN 1 3
89 1 1 1 1 53 PRO HB2 . 62 . HB2 1 3
89 1 2 1 1 54 LEU H . 63 . HN 1 3
90 1 1 1 1 65 GLY H . 74 . HN 1 3
90 1 2 1 1 67 PHE H . 76 . HN 1 3
91 1 1 1 1 61 LYS HA . 70 . HA 1 3
91 1 2 1 1 64 LYS H . 73 . HN 1 3
92 1 1 1 1 62 LYS HA . 71 . HA 1 3
92 1 2 1 1 64 LYS H . 73 . HN 1 3
93 1 1 1 1 31 ASN HA . 40 . HA 1 3
93 1 2 1 1 31 ASN HB3 . 40 . HB1 1 3
94 1 1 1 1 6 THR HB . 15 . HB 1 3
94 1 2 1 1 34 SER H . 43 . HN 1 3
95 1 1 1 1 63 GLU H . 72 . HN 1 3
95 1 2 1 1 65 GLY H . 74 . HN 1 3
96 1 1 1 1 33 LEU HB2 . 42 . HB2 1 3
96 1 2 1 1 34 SER H . 43 . HN 1 3
97 1 1 1 1 30 GLU H . 39 . HN 1 3
97 1 2 1 1 32 HIS H . 41 . HN 1 3
98 1 1 1 1 30 GLU HA . 39 . HA 1 3
98 1 2 1 1 33 LEU H . 42 . HN 1 3
99 1 1 1 1 34 SER H . 43 . HN 1 3
99 1 2 1 1 37 ASP HB2 . 46 . HB2 1 3
100 1 1 1 1 33 LEU HA . 42 . HA 1 3
100 1 2 1 1 33 LEU HG . 42 . HG 1 3
101 1 1 1 1 8 PRO HA . 17 . HA 1 3
101 1 2 1 1 8 PRO HB3 . 17 . HB1 1 3
102 1 1 1 1 21 PRO HA . 30 . HA 1 3
102 1 2 1 1 21 PRO HB3 . 30 . HB1 1 3
103 1 1 1 1 42 PHE HA . 51 . HA 1 3
103 1 2 1 1 42 PHE HB3 . 51 . HB1 1 3
104 1 1 1 1 42 PHE HA . 51 . HA 1 3
104 1 2 1 1 42 PHE HB2 . 51 . HB2 1 3
105 1 1 1 1 51 ASN HA . 60 . HA 1 3
105 1 2 1 1 51 ASN HB3 . 60 . HB1 1 3
106 1 1 1 1 51 ASN HA . 60 . HA 1 3
106 1 2 1 1 51 ASN HB2 . 60 . HB2 1 3
107 1 1 1 1 55 TRP HA . 64 . HA 1 3
107 1 2 1 1 55 TRP HB3 . 64 . HB1 1 3
108 1 1 1 1 55 TRP HA . 64 . HA 1 3
108 1 2 1 1 55 TRP HB2 . 64 . HB2 1 3
109 1 1 1 1 55 TRP HB3 . 64 . HB1 1 3
109 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
110 1 1 1 1 55 TRP HB2 . 64 . HB2 1 3
110 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
111 1 1 1 1 55 TRP HA . 64 . HA 1 3
111 1 2 1 1 55 TRP HE3 . 64 . HE3 1 3
112 1 1 1 1 55 TRP HB3 . 64 . HB1 1 3
112 1 2 1 1 55 TRP HE3 . 64 . HE3 1 3
113 1 1 1 1 55 TRP HB2 . 64 . HB2 1 3
113 1 2 1 1 55 TRP HE3 . 64 . HE3 1 3
114 1 1 1 1 57 GLN HA . 66 . HA 1 3
114 1 2 1 1 57 GLN HB3 . 66 . HB1 1 3
115 1 1 1 1 60 LEU HA . 69 . HA 1 3
115 1 2 1 1 63 GLU HB2 . 72 . HB2 1 3
116 1 1 1 1 27 SER HA . 36 . HA 1 3
116 1 2 1 1 27 SER HB3 . 36 . HB1 1 3
117 1 1 1 1 27 SER HA . 36 . HA 1 3
117 1 2 1 1 27 SER HB2 . 36 . HB2 1 3
118 1 1 1 1 28 ARG HA . 37 . HA 1 3
118 1 2 1 1 28 ARG HB3 . 37 . HB1 1 3
119 1 1 1 1 28 ARG HA . 37 . HA 1 3
119 1 2 1 1 28 ARG HB2 . 37 . HB2 1 3
120 1 1 1 1 53 PRO HA . 62 . HA 1 3
120 1 2 1 1 55 TRP HD1 . 64 . HD1 1 3
121 1 1 1 1 66 LEU H . 75 . HN 1 3
121 1 2 1 1 67 PHE HA . 76 . HA 1 3
122 1 1 1 1 38 PHE HB3 . 47 . HB1 1 3
122 1 2 1 1 39 LYS HA . 48 . HA 1 3
123 1 1 1 1 38 PHE HA . 47 . HA 1 3
123 1 2 1 1 41 VAL HB . 50 . HB 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 3.3 1 3
2 1 . . . . . 3.3 1.8 4.3 1 3
3 1 . . . . . 3.8 1.8 4.8 1 3
4 1 . . . . . 3.8 1.8 4.8 1 3
5 1 . . . . . 3.8 1.8 4.8 1 3
6 1 . . . . . 3.8 1.8 4.8 1 3
7 1 . . . . . 3.3 1.8 4.3 1 3
8 1 . . . . . 3.8 1.8 4.8 1 3
9 1 . . . . . 3.8 1.8 4.8 1 3
10 1 . . . . . 2.8 1.8 3.3 1 3
11 1 . . . . . 3.8 1.8 4.8 1 3
12 1 . . . . . 3.8 1.8 4.8 1 3
13 1 . . . . . 2.3 1.8 2.8 1 3
14 1 . . . . . 3.3 1.8 4.3 1 3
15 1 . . . . . 3.3 1.8 4.3 1 3
16 1 . . . . . 3.8 1.8 5.3 1 3
17 1 . . . . . 3.8 1.8 5.3 1 3
18 1 . . . . . 3.3 1.8 4.3 1 3
19 1 . . . . . 3.3 1.8 4.3 1 3
20 1 . . . . . 3.8 1.8 4.8 1 3
21 1 . . . . . 3.3 1.8 4.3 1 3
22 1 . . . . . 3.3 1.8 4.3 1 3
23 1 . . . . . 2.8 1.8 3.3 1 3
24 1 . . . . . 3.3 1.8 4.3 1 3
25 1 . . . . . 3.8 1.8 4.8 1 3
26 1 . . . . . 2.3 1.8 2.8 1 3
27 1 . . . . . 2.8 1.8 3.3 1 3
28 1 . . . . . 2.8 1.8 3.3 1 3
29 1 . . . . . 2.8 1.8 3.3 1 3
30 1 . . . . . 2.8 1.8 3.3 1 3
31 1 . . . . . 2.8 1.8 3.3 1 3
32 1 . . . . . 2.8 1.8 3.3 1 3
33 1 . . . . . 2.8 1.8 3.3 1 3
34 1 . . . . . 2.8 1.8 3.3 1 3
35 1 . . . . . 2.3 1.8 2.8 1 3
36 1 . . . . . 2.8 1.8 3.3 1 3
37 1 . . . . . 2.8 1.8 3.3 1 3
38 1 . . . . . 3.3 1.8 4.3 1 3
39 1 . . . . . 2.8 1.8 3.3 1 3
40 1 . . . . . 2.8 1.8 3.3 1 3
41 1 . . . . . 2.8 1.8 3.3 1 3
42 1 . . . . . 2.8 1.8 3.3 1 3
43 1 . . . . . 2.8 1.8 3.3 1 3
44 1 . . . . . 2.8 1.8 3.3 1 3
45 1 . . . . . 3.8 1.8 4.8 1 3
46 1 . . . . . 3.8 1.8 4.8 1 3
47 1 . . . . . 2.8 1.8 3.3 1 3
48 1 . . . . . 3.3 1.8 4.3 1 3
49 1 . . . . . 3.3 1.8 4.3 1 3
50 1 . . . . . 2.8 1.8 3.3 1 3
51 1 . . . . . 2.8 1.8 3.3 1 3
52 1 . . . . . 3.3 1.8 4.3 1 3
53 1 . . . . . 2.8 1.8 3.3 1 3
54 1 . . . . . 2.8 1.8 3.3 1 3
55 1 . . . . . 2.8 1.8 3.3 1 3
56 1 . . . . . 2.8 1.8 3.3 1 3
57 1 . . . . . 3.3 1.8 4.3 1 3
58 1 . . . . . 2.8 1.8 3.3 1 3
59 1 . . . . . 3.3 1.8 4.3 1 3
60 1 . . . . . 3.3 1.8 4.3 1 3
61 1 . . . . . 2.8 1.8 3.3 1 3
62 1 . . . . . 2.8 1.8 3.3 1 3
63 1 . . . . . 2.8 1.8 3.3 1 3
64 1 . . . . . 3.8 1.8 4.8 1 3
65 1 . . . . . 2.8 1.8 3.3 1 3
66 1 . . . . . 3.8 1.8 4.8 1 3
67 1 . . . . . 3.3 1.8 4.3 1 3
68 1 . . . . . 3.3 1.8 4.3 1 3
69 1 . . . . . 3.3 1.8 4.3 1 3
70 1 . . . . . 3.3 1.8 4.3 1 3
71 1 . . . . . 3.3 1.8 4.3 1 3
72 1 . . . . . 3.3 1.8 4.3 1 3
73 1 . . . . . 3.3 1.8 4.3 1 3
74 1 . . . . . 3.8 1.8 4.8 1 3
75 1 . . . . . 3.3 1.8 4.3 1 3
76 1 . . . . . 3.3 1.8 4.3 1 3
77 1 . . . . . 3.8 1.8 4.8 1 3
78 1 . . . . . 3.3 1.8 4.3 1 3
79 1 . . . . . 3.3 1.8 4.3 1 3
80 1 . . . . . 3.8 1.8 4.8 1 3
81 1 . . . . . 3.3 1.8 4.3 1 3
82 1 . . . . . 3.8 1.8 5.3 1 3
83 1 . . . . . 3.8 1.8 4.8 1 3
84 1 . . . . . 3.3 1.8 4.3 1 3
85 1 . . . . . 3.3 1.8 4.3 1 3
86 1 . . . . . 3.8 1.8 4.8 1 3
87 1 . . . . . 3.3 1.8 4.3 1 3
88 1 . . . . . 3.8 1.8 4.8 1 3
89 1 . . . . . 3.8 1.8 4.8 1 3
90 1 . . . . . 3.8 1.8 4.8 1 3
91 1 . . . . . 3.8 1.8 4.8 1 3
92 1 . . . . . 3.8 1.8 4.8 1 3
93 1 . . . . . 2.8 1.8 3.3 1 3
94 1 . . . . . 3.8 1.8 4.8 1 3
95 1 . . . . . 3.8 1.8 4.8 1 3
96 1 . . . . . 3.8 1.8 4.8 1 3
97 1 . . . . . 3.8 1.8 4.8 1 3
98 1 . . . . . 3.8 1.8 4.8 1 3
99 1 . . . . . 3.8 1.8 4.8 1 3
100 1 . . . . . 3.8 1.8 4.8 1 3
101 1 . . . . . 2.3 1.8 2.8 1 3
102 1 . . . . . 2.8 1.8 3.3 1 3
103 1 . . . . . 2.8 1.8 3.3 1 3
104 1 . . . . . 2.8 1.8 3.3 1 3
105 1 . . . . . 2.8 1.8 3.3 1 3
106 1 . . . . . 2.8 1.8 3.3 1 3
107 1 . . . . . 2.8 1.8 3.3 1 3
108 1 . . . . . 2.8 1.8 3.3 1 3
109 1 . . . . . 2.8 1.8 3.3 1 3
110 1 . . . . . 3.3 1.8 4.3 1 3
111 1 . . . . . 3.8 1.8 4.8 1 3
112 1 . . . . . 3.3 1.8 4.3 1 3
113 1 . . . . . 2.8 1.8 3.3 1 3
114 1 . . . . . 2.8 1.8 3.3 1 3
115 1 . . . . . 2.8 1.8 3.3 1 3
116 1 . . . . . 2.8 1.8 3.3 1 3
117 1 . . . . . 2.8 1.8 3.3 1 3
118 1 . . . . . 2.8 1.8 3.3 1 3
119 1 . . . . . 2.8 1.8 3.3 1 3
120 1 . . . . . 3.3 1.8 4.3 1 3
121 1 . . . . . 3.3 1.8 4.3 1 3
122 1 . . . . . 3.3 1.8 4.3 1 3
123 1 . . . . . 3.3 1.8 4.3 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_13_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 4
2 1 . . . 1 4
3 1 . . . 1 4
4 1 . . . 1 4
5 1 . . . 1 4
6 1 . . . 1 4
7 1 . . . 1 4
8 1 . . . 1 4
9 1 . . . 1 4
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
23 1 . . . 1 4
24 1 . . . 1 4
25 1 . . . 1 4
26 1 . . . 1 4
27 1 . . . 1 4
28 1 . . . 1 4
29 1 . . . 1 4
30 1 . . . 1 4
31 1 . . . 1 4
32 1 . . . 1 4
33 1 . . . 1 4
34 1 . . . 1 4
35 1 . . . 1 4
36 1 . . . 1 4
37 1 . . . 1 4
38 1 . . . 1 4
39 1 . . . 1 4
40 1 . . . 1 4
41 1 . . . 1 4
42 1 . . . 1 4
43 1 . . . 1 4
44 1 . . . 1 4
45 1 . . . 1 4
46 1 . . . 1 4
47 1 . . . 1 4
48 1 . . . 1 4
49 1 . . . 1 4
50 1 . . . 1 4
51 1 . . . 1 4
52 1 . . . 1 4
53 1 . . . 1 4
54 1 . . . 1 4
55 1 . . . 1 4
56 1 . . . 1 4
57 1 . . . 1 4
58 1 . . . 1 4
59 1 . . . 1 4
60 1 . . . 1 4
61 1 . . . 1 4
62 1 . . . 1 4
63 1 . . . 1 4
64 1 . . . 1 4
65 1 . . . 1 4
66 1 . . . 1 4
67 1 . . . 1 4
68 1 . . . 1 4
69 1 . . . 1 4
70 1 . . . 1 4
71 1 . . . 1 4
72 1 . . . 1 4
73 1 . . . 1 4
74 1 . . . 1 4
75 1 . . . 1 4
76 1 . . . 1 4
77 1 . . . 1 4
78 1 . . . 1 4
79 1 . . . 1 4
80 1 . . . 1 4
81 1 . . . 1 4
82 1 . . . 1 4
83 1 . . . 1 4
84 1 . . . 1 4
85 1 . . . 1 4
86 1 . . . 1 4
87 1 . . . 1 4
88 1 . . . 1 4
89 1 . . . 1 4
90 1 . . . 1 4
91 1 . . . 1 4
92 1 . . . 1 4
93 1 . . . 1 4
94 1 . . . 1 4
95 1 . . . 1 4
96 1 . . . 1 4
97 1 . . . 1 4
98 1 . . . 1 4
99 1 . . . 1 4
100 1 . . . 1 4
101 1 . . . 1 4
102 1 . . . 1 4
103 1 . . . 1 4
104 1 . . . 1 4
105 1 . . . 1 4
106 1 . . . 1 4
107 1 . . . 1 4
108 1 . . . 1 4
109 1 . . . 1 4
110 1 . . . 1 4
111 1 . . . 1 4
112 1 . . . 1 4
113 1 . . . 1 4
114 1 . . . 1 4
115 1 . . . 1 4
116 1 . . . 1 4
117 1 . . . 1 4
118 1 . . . 1 4
119 1 . . . 1 4
120 1 . . . 1 4
121 1 . . . 1 4
122 1 . . . 1 4
123 1 . . . 1 4
124 1 . . . 1 4
125 1 . . . 1 4
126 1 . . . 1 4
127 1 . . . 1 4
128 1 . . . 1 4
129 1 . . . 1 4
130 1 . . . 1 4
131 1 . . . 1 4
132 1 . . . 1 4
133 1 . . . 1 4
134 1 . . . 1 4
135 1 . . . 1 4
136 1 . . . 1 4
137 1 . . . 1 4
138 1 . . . 1 4
139 1 . . . 1 4
140 1 . . . 1 4
141 1 . . . 1 4
142 1 . . . 1 4
143 1 . . . 1 4
144 1 . . . 1 4
145 1 . . . 1 4
146 1 . . . 1 4
147 1 . . . 1 4
148 1 . . . 1 4
149 1 . . . 1 4
150 1 . . . 1 4
151 1 . . . 1 4
152 1 . . . 1 4
153 1 . . . 1 4
154 1 . . . 1 4
155 1 . . . 1 4
156 1 . . . 1 4
157 1 . . . 1 4
158 1 . . . 1 4
159 1 . . . 1 4
160 1 . . . 1 4
161 1 . . . 1 4
162 1 . . . 1 4
163 1 . . . 1 4
164 1 . . . 1 4
165 1 . . . 1 4
166 1 . . . 1 4
167 1 . . . 1 4
168 1 . . . 1 4
169 1 . . . 1 4
170 1 . . . 1 4
171 1 . . . 1 4
172 1 . . . 1 4
173 1 . . . 1 4
174 1 . . . 1 4
175 1 . . . 1 4
176 1 . . . 1 4
177 1 . . . 1 4
178 1 . . . 1 4
179 1 . . . 1 4
180 1 . . . 1 4
181 1 . . . 1 4
182 1 . . . 1 4
183 1 . . . 1 4
184 1 . . . 1 4
185 1 . . . 1 4
186 1 . . . 1 4
187 1 . . . 1 4
188 1 . . . 1 4
189 1 . . . 1 4
190 1 . . . 1 4
191 1 . . . 1 4
192 1 . . . 1 4
193 1 . . . 1 4
194 1 . . . 1 4
195 1 . . . 1 4
196 1 . . . 1 4
197 1 . . . 1 4
198 1 . . . 1 4
199 1 . . . 1 4
200 1 . . . 1 4
201 1 . . . 1 4
202 1 . . . 1 4
203 1 . . . 1 4
204 1 . . . 1 4
205 1 . . . 1 4
206 1 . . . 1 4
207 1 . . . 1 4
208 1 . . . 1 4
209 1 . . . 1 4
210 1 . . . 1 4
211 1 . . . 1 4
212 1 . . . 1 4
213 1 . . . 1 4
214 1 . . . 1 4
215 1 . . . 1 4
216 1 . . . 1 4
217 1 . . . 1 4
218 1 . . . 1 4
219 1 . . . 1 4
220 1 . . . 1 4
221 1 . . . 1 4
222 1 . . . 1 4
223 1 . . . 1 4
224 1 . . . 1 4
225 1 . . . 1 4
226 1 . . . 1 4
227 1 . . . 1 4
228 1 . . . 1 4
229 1 . . . 1 4
230 1 . . . 1 4
231 1 . . . 1 4
232 1 . . . 1 4
233 1 . . . 1 4
234 1 . . . 1 4
235 1 . . . 1 4
236 1 . . . 1 4
237 1 . . . 1 4
238 1 . . . 1 4
239 1 . . . 1 4
240 1 . . . 1 4
241 1 . . . 1 4
242 1 . . . 1 4
243 1 . . . 1 4
244 1 . . . 1 4
245 1 . . . 1 4
246 1 . . . 1 4
247 1 . . . 1 4
248 1 . . . 1 4
249 1 . . . 1 4
250 1 . . . 1 4
251 1 . . . 1 4
252 1 . . . 1 4
253 1 . . . 1 4
254 1 . . . 1 4
255 1 . . . 1 4
256 1 . . . 1 4
257 1 . . . 1 4
258 1 . . . 1 4
259 1 . . . 1 4
260 1 . . . 1 4
261 1 . . . 1 4
262 1 . . . 1 4
263 1 . . . 1 4
264 1 . . . 1 4
265 1 . . . 1 4
266 1 . . . 1 4
267 1 . . . 1 4
268 1 . . . 1 4
269 1 . . . 1 4
270 1 . . . 1 4
271 1 . . . 1 4
272 1 . . . 1 4
273 1 . . . 1 4
274 1 . . . 1 4
275 1 . . . 1 4
276 1 . . . 1 4
277 1 . . . 1 4
278 1 . . . 1 4
279 1 . . . 1 4
280 1 . . . 1 4
281 1 . . . 1 4
282 1 . . . 1 4
283 1 . . . 1 4
284 1 . . . 1 4
285 1 . . . 1 4
286 1 . . . 1 4
287 1 . . . 1 4
288 1 . . . 1 4
289 1 . . . 1 4
290 1 . . . 1 4
291 1 . . . 1 4
292 1 . . . 1 4
293 1 . . . 1 4
294 1 . . . 1 4
295 1 . . . 1 4
296 1 . . . 1 4
297 1 . . . 1 4
298 1 . . . 1 4
299 1 . . . 1 4
300 1 . . . 1 4
301 1 . . . 1 4
302 1 . . . 1 4
303 1 . . . 1 4
304 1 . . . 1 4
305 1 . . . 1 4
306 1 . . . 1 4
307 1 . . . 1 4
308 1 . . . 1 4
309 1 . . . 1 4
310 1 . . . 1 4
311 1 . . . 1 4
312 1 . . . 1 4
313 1 . . . 1 4
314 1 . . . 1 4
315 1 . . . 1 4
316 1 . . . 1 4
317 1 . . . 1 4
318 1 . . . 1 4
319 1 . . . 1 4
320 1 . . . 1 4
321 1 . . . 1 4
322 1 . . . 1 4
323 1 . . . 1 4
324 1 . . . 1 4
325 1 . . . 1 4
326 1 . . . 1 4
327 1 . . . 1 4
328 1 . . . 1 4
329 1 . . . 1 4
330 1 . . . 1 4
331 1 . . . 1 4
332 1 . . . 1 4
333 1 . . . 1 4
334 1 . . . 1 4
335 1 . . . 1 4
336 1 . . . 1 4
337 1 . . . 1 4
338 1 . . . 1 4
339 1 . . . 1 4
340 1 . . . 1 4
341 1 . . . 1 4
342 1 . . . 1 4
343 1 . . . 1 4
344 1 . . . 1 4
345 1 . . . 1 4
346 1 . . . 1 4
347 1 . . . 1 4
348 1 . . . 1 4
349 1 . . . 1 4
350 1 . . . 1 4
351 1 . . . 1 4
352 1 . . . 1 4
353 1 . . . 1 4
354 1 . . . 1 4
355 1 . . . 1 4
356 1 . . . 1 4
357 1 . . . 1 4
358 1 . . . 1 4
359 1 . . . 1 4
360 1 . . . 1 4
361 1 . . . 1 4
362 1 . . . 1 4
363 1 . . . 1 4
364 1 . . . 1 4
365 1 . . . 1 4
366 1 . . . 1 4
367 1 . . . 1 4
368 1 . . . 1 4
369 1 . . . 1 4
370 1 . . . 1 4
371 1 . . . 1 4
372 1 . . . 1 4
373 1 . . . 1 4
374 1 . . . 1 4
375 1 . . . 1 4
376 1 . . . 1 4
377 1 . . . 1 4
378 1 . . . 1 4
379 1 . . . 1 4
380 1 . . . 1 4
381 1 . . . 1 4
382 1 . . . 1 4
383 1 . . . 1 4
384 1 . . . 1 4
385 1 . . . 1 4
386 1 . . . 1 4
387 1 . . . 1 4
388 1 . . . 1 4
389 1 . . . 1 4
390 1 . . . 1 4
391 1 . . . 1 4
392 1 . . . 1 4
393 1 . . . 1 4
394 1 . . . 1 4
395 1 . . . 1 4
396 1 . . . 1 4
397 1 . . . 1 4
398 1 . . . 1 4
399 1 . . . 1 4
400 1 . . . 1 4
401 1 . . . 1 4
402 1 . . . 1 4
403 1 . . . 1 4
404 1 . . . 1 4
405 1 . . . 1 4
406 1 . . . 1 4
407 1 . . . 1 4
408 1 . . . 1 4
409 1 . . . 1 4
410 1 . . . 1 4
411 1 . . . 1 4
412 1 . . . 1 4
413 1 . . . 1 4
414 1 . . . 1 4
415 1 . . . 1 4
416 1 . . . 1 4
417 1 . . . 1 4
418 1 . . . 1 4
419 1 . . . 1 4
420 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 2 THR HA . 11 . HA 1 4
1 1 2 1 1 2 THR MG . 11 . HG2# 1 4
2 1 1 1 1 3 LYS HA . 12 . HA 1 4
2 1 2 1 1 3 LYS QD . 12 . HD# 1 4
3 1 1 1 1 3 LYS QD . 12 . HD# 1 4
3 1 2 1 1 3 LYS QG . 12 . HG# 1 4
4 1 1 1 1 3 LYS HA . 12 . HA 1 4
4 1 2 1 1 3 LYS QG . 12 . HG# 1 4
5 1 1 1 1 4 LEU HA . 13 . HA 1 4
5 1 2 1 1 4 LEU MD1 . 13 . HD1# 1 4
6 1 1 1 1 4 LEU MD1 . 13 . HD1# 1 4
6 1 2 1 1 31 ASN HB3 . 40 . HB1 1 4
7 1 1 1 1 4 LEU MD1 . 13 . HD1# 1 4
7 1 2 1 1 31 ASN HB2 . 40 . HB2 1 4
8 1 1 1 1 4 LEU MD1 . 13 . HD1# 1 4
8 1 2 1 1 32 HIS HE1 . 41 . HE1 1 4
9 1 1 1 1 4 LEU HA . 13 . HA 1 4
9 1 2 1 1 4 LEU HG . 13 . HG# 1 4
10 1 1 1 1 6 THR HA . 15 . HA 1 4
10 1 2 1 1 6 THR MG . 15 . HG2# 1 4
11 1 1 1 1 7 PHE QD . 16 . HD# 1 4
11 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
12 1 1 1 1 7 PHE QD . 16 . HD# 1 4
12 1 2 1 1 11 VAL HB . 20 . HB 1 4
13 1 1 1 1 9 LEU QB . 18 . HB# 1 4
13 1 2 1 1 12 LEU HB3 . 21 . HB1 1 4
14 1 1 1 1 8 PRO HA . 17 . HA 1 4
14 1 2 1 1 9 LEU QB . 18 . HB# 1 4
15 1 1 1 1 9 LEU HA . 18 . HA 1 4
15 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
16 1 1 1 1 9 LEU HA . 18 . HA 1 4
16 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
17 1 1 1 1 9 LEU HA . 18 . HA 1 4
17 1 2 1 1 66 LEU QD . 75 . HD## 1 4
18 1 1 1 1 8 PRO QD . 17 . HD# 1 4
18 1 2 1 1 11 VAL HB . 20 . HB 1 4
19 1 1 1 1 13 VAL HA . 22 . HA 1 4
19 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
20 1 1 1 1 10 ASP QB . 19 . HB# 1 4
20 1 2 1 1 14 ASN QD . 23 . HD2# 1 4
21 1 1 1 1 10 ASP QB . 19 . HB# 1 4
21 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
22 1 1 1 1 16 ALA H . 25 . HN 1 4
22 1 2 1 1 19 ASP QB . 28 . HB# 1 4
23 1 1 1 1 19 ASP QB . 28 . HB# 1 4
23 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
24 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
24 1 2 1 1 20 LEU HB2 . 29 . HB2 1 4
25 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
25 1 2 1 1 21 PRO QD . 30 . HD# 1 4
26 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
26 1 2 1 1 21 PRO QD . 30 . HD# 1 4
27 1 1 1 1 20 LEU MD2 . 29 . HD2# 1 4
27 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
28 1 1 1 1 21 PRO HA . 30 . HA 1 4
28 1 2 1 1 21 PRO QG . 30 . HG# 1 4
29 1 1 1 1 21 PRO HA . 30 . HA 1 4
29 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
30 1 1 1 1 21 PRO HB2 . 30 . HB2 1 4
30 1 2 1 1 21 PRO QD . 30 . HD# 1 4
31 1 1 1 1 22 ARG HA . 31 . HA 1 4
31 1 2 1 1 22 ARG QD . 31 . HD# 1 4
32 1 1 1 1 22 ARG HA . 31 . HA 1 4
32 1 2 1 1 23 GLY QA . 32 . HA# 1 4
33 1 1 1 1 22 ARG HA . 31 . HA 1 4
33 1 2 1 1 22 ARG QG . 31 . HG# 1 4
34 1 1 1 1 20 LEU HB2 . 29 . HB2 1 4
34 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
35 1 1 1 1 25 ASP QB . 34 . HB# 1 4
35 1 2 1 1 28 ARG QG . 37 . HG# 1 4
36 1 1 1 1 25 ASP QB . 34 . HB# 1 4
36 1 2 1 1 27 SER HB3 . 36 . HB1 1 4
37 1 1 1 1 28 ARG HA . 37 . HA 1 4
37 1 2 1 1 28 ARG QG . 37 . HG# 1 4
38 1 1 1 1 29 LYS HA . 38 . HA 1 4
38 1 2 1 1 29 LYS QG . 38 . HG# 1 4
39 1 1 1 1 29 LYS H . 38 . HN 1 4
39 1 2 1 1 66 LEU QD . 75 . HD## 1 4
40 1 1 1 1 29 LYS H . 38 . HN 1 4
40 1 2 1 1 61 LYS QD . 70 . HD# 1 4
41 1 1 1 1 30 GLU H . 39 . HN 1 4
41 1 2 1 1 30 GLU QG . 39 . HG# 1 4
42 1 1 1 1 29 LYS QD . 38 . HD# 1 4
42 1 2 1 1 30 GLU H . 39 . HN 1 4
43 1 1 1 1 30 GLU H . 39 . HN 1 4
43 1 2 1 1 66 LEU QD . 75 . HD## 1 4
44 1 1 1 1 30 GLU H . 39 . HN 1 4
44 1 2 1 1 38 PHE QE . 47 . HE# 1 4
45 1 1 1 1 30 GLU H . 39 . HN 1 4
45 1 2 1 1 42 PHE QE . 51 . HE# 1 4
46 1 1 1 1 30 GLU H . 39 . HN 1 4
46 1 2 1 1 30 GLU QB . 39 . HB# 1 4
47 1 1 1 1 31 ASN HA . 40 . HA 1 4
47 1 2 1 1 31 ASN QD . 40 . HD2# 1 4
48 1 1 1 1 31 ASN H . 40 . HN 1 4
48 1 2 1 1 31 ASN QD . 40 . HD2# 1 4
49 1 1 1 1 4 LEU MD1 . 13 . HD1# 1 4
49 1 2 1 1 31 ASN QD . 40 . HD2# 1 4
50 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 4
50 1 2 1 1 32 HIS HE1 . 41 . HE1 1 4
51 1 1 1 1 24 VAL MG2 . 33 . HG2# 1 4
51 1 2 1 1 32 HIS HE1 . 41 . HE1 1 4
52 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
52 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
53 1 1 1 1 34 SER H . 43 . HN 1 4
53 1 2 1 1 34 SER QB . 43 . HB# 1 4
54 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
54 1 2 1 1 37 ASP HB3 . 46 . HB1 1 4
55 1 1 1 1 38 PHE HA . 47 . HA 1 4
55 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 4
56 1 1 1 1 38 PHE QD . 47 . HD# 1 4
56 1 2 1 1 45 THR HA . 54 . HA 1 4
57 1 1 1 1 39 LYS HA . 48 . HA 1 4
57 1 2 1 1 39 LYS QG . 48 . HG# 1 4
58 1 1 1 1 44 MET ME . 53 . HE# 1 4
58 1 2 1 1 48 ALA MB . 57 . HB# 1 4
59 1 1 1 1 52 LEU HB3 . 61 . HB1 1 4
59 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 4
60 1 1 1 1 52 LEU HB2 . 61 . HB2 1 4
60 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 4
61 1 1 1 1 53 PRO HA . 62 . HA 1 4
61 1 2 1 1 53 PRO QG . 62 . HG# 1 4
62 1 1 1 1 53 PRO QG . 62 . HG# 1 4
62 1 2 1 1 56 LYS QB . 65 . HB# 1 4
63 1 1 1 1 53 PRO HB2 . 62 . HB2 1 4
63 1 2 1 1 56 LYS QB . 65 . HB# 1 4
64 1 1 1 1 53 PRO QG . 62 . HG# 1 4
64 1 2 1 1 56 LYS QG . 65 . HG# 1 4
65 1 1 1 1 53 PRO QG . 62 . HG# 1 4
65 1 2 1 1 54 LEU QD . 63 . HD## 1 4
66 1 1 1 1 53 PRO QG . 62 . HG# 1 4
66 1 2 1 1 55 TRP HD1 . 64 . HD1 1 4
67 1 1 1 1 56 LYS QB . 65 . HB# 1 4
67 1 2 1 1 56 LYS QE . 65 . HE# 1 4
68 1 1 1 1 56 LYS QE . 65 . HE# 1 4
68 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
69 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
69 1 2 1 1 56 LYS QE . 65 . HE# 1 4
70 1 1 1 1 56 LYS QE . 65 . HE# 1 4
70 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
71 1 1 1 1 58 GLN HA . 67 . HA 1 4
71 1 2 1 1 61 LYS QB . 70 . HB# 1 4
72 1 1 1 1 55 TRP HA . 64 . HA 1 4
72 1 2 1 1 58 GLN QG . 67 . HG# 1 4
73 1 1 1 1 54 LEU QD . 63 . HD## 1 4
73 1 2 1 1 58 GLN QG . 67 . HG# 1 4
74 1 1 1 1 60 LEU HA . 69 . HA 1 4
74 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
75 1 1 1 1 61 LYS HA . 70 . HA 1 4
75 1 2 1 1 61 LYS QG . 70 . HG# 1 4
76 1 1 1 1 61 LYS QE . 70 . HE# 1 4
76 1 2 1 1 61 LYS QG . 70 . HG# 1 4
77 1 1 1 1 61 LYS HA . 70 . HA 1 4
77 1 2 1 1 61 LYS QE . 70 . HE# 1 4
78 1 1 1 1 59 ASN HA . 68 . HA 1 4
78 1 2 1 1 62 LYS QD . 71 . HD# 1 4
79 1 1 1 1 62 LYS HA . 71 . HA 1 4
79 1 2 1 1 62 LYS QD . 71 . HD# 1 4
80 1 1 1 1 61 LYS QG . 70 . HG# 1 4
80 1 2 1 1 62 LYS H . 71 . HN 1 4
81 1 1 1 1 59 ASN HA . 68 . HA 1 4
81 1 2 1 1 62 LYS QB . 71 . HB# 1 4
82 1 1 1 1 64 LYS QE . 73 . HE# 1 4
82 1 2 1 1 64 LYS QG . 73 . HG# 1 4
83 1 1 1 1 64 LYS HA . 73 . HA 1 4
83 1 2 1 1 64 LYS QG . 73 . HG# 1 4
84 1 1 1 1 58 GLN QG . 67 . HG# 1 4
84 1 2 1 1 67 PHE QE . 76 . HE# 1 4
85 1 1 1 1 53 PRO QG . 62 . HG# 1 4
85 1 2 1 1 55 TRP HE1 . 64 . HE1 1 4
86 1 1 1 1 18 GLU HA . 27 . HA 1 4
86 1 2 1 1 18 GLU QB . 27 . HB# 1 4
87 1 1 1 1 18 GLU QB . 27 . HB# 1 4
87 1 2 1 1 18 GLU QG . 27 . HG# 1 4
88 1 1 1 1 39 LYS QD . 48 . HD# 1 4
88 1 2 1 1 39 LYS QG . 48 . HG# 1 4
89 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
89 1 2 1 1 52 LEU HG . 61 . HG 1 4
90 1 1 1 1 48 ALA HA . 57 . HA 1 4
90 1 2 1 1 48 ALA MB . 57 . HB# 1 4
91 1 1 1 1 41 VAL HB . 50 . HB 1 4
91 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 4
92 1 1 1 1 36 GLU QB . 45 . HB# 1 4
92 1 2 1 1 36 GLU QG . 45 . HG# 1 4
93 1 1 1 1 64 LYS QB . 73 . HB# 1 4
93 1 2 1 1 64 LYS QD . 73 . HD# 1 4
94 1 1 1 1 40 ALA HA . 49 . HA 1 4
94 1 2 1 1 40 ALA MB . 49 . HB# 1 4
95 1 1 1 1 52 LEU HB2 . 61 . HB2 1 4
95 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 4
96 1 1 1 1 11 VAL HB . 20 . HB 1 4
96 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 4
97 1 1 1 1 10 ASP HA . 19 . HA 1 4
97 1 2 1 1 10 ASP QB . 19 . HB# 1 4
98 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
98 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 4
99 1 1 1 1 16 ALA HA . 25 . HA 1 4
99 1 2 1 1 16 ALA MB . 25 . HB# 1 4
100 1 1 1 1 50 ALA HA . 59 . HA 1 4
100 1 2 1 1 50 ALA MB . 59 . HB# 1 4
101 1 1 1 1 13 VAL HB . 22 . HB 1 4
101 1 2 1 1 13 VAL MG1 . 22 . HG1# 1 4
102 1 1 1 1 13 VAL HA . 22 . HA 1 4
102 1 2 1 1 13 VAL MG1 . 22 . HG1# 1 4
103 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
103 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 4
104 1 1 1 1 13 VAL HB . 22 . HB 1 4
104 1 2 1 1 13 VAL MG2 . 22 . HG2# 1 4
105 1 1 1 1 17 ALA HA . 26 . HA 1 4
105 1 2 1 1 17 ALA MB . 26 . HB# 1 4
106 1 1 1 1 17 ALA HA . 26 . HA 1 4
106 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
107 1 1 1 1 62 LYS QB . 71 . HB# 1 4
107 1 2 1 1 62 LYS QG . 71 . HG# 1 4
108 1 1 1 1 41 VAL HA . 50 . HA 1 4
108 1 2 1 1 41 VAL MG2 . 50 . HG2# 1 4
109 1 1 1 1 5 GLU QB . 14 . HB# 1 4
109 1 2 1 1 5 GLU QG . 14 . HG# 1 4
110 1 1 1 1 22 ARG HA . 31 . HA 1 4
110 1 2 1 1 22 ARG QB . 31 . HB# 1 4
111 1 1 1 1 20 LEU HA . 29 . HA 1 4
111 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
112 1 1 1 1 20 LEU MD2 . 29 . HD2# 1 4
112 1 2 1 1 20 LEU HG . 29 . HG 1 4
113 1 1 1 1 9 LEU HA . 18 . HA 1 4
113 1 2 1 1 9 LEU QD . 18 . HD## 1 4
114 1 1 1 1 66 LEU HA . 75 . HA 1 4
114 1 2 1 1 66 LEU QD . 75 . HD## 1 4
115 1 1 1 1 7 PHE HA . 16 . HA 1 4
115 1 2 1 1 8 PRO QD . 17 . HD# 1 4
116 1 1 1 1 18 GLU HA . 27 . HA 1 4
116 1 2 1 1 18 GLU QG . 27 . HG# 1 4
117 1 1 1 1 11 VAL HB . 20 . HB 1 4
117 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
118 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
118 1 2 1 1 20 LEU HG . 29 . HG 1 4
119 1 1 1 1 11 VAL MG1 . 20 . HG1# 1 4
119 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
120 1 1 1 1 41 VAL HB . 50 . HB 1 4
120 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 4
121 1 1 1 1 13 VAL HA . 22 . HA 1 4
121 1 2 1 1 13 VAL MG2 . 22 . HG2# 1 4
122 1 1 1 1 54 LEU HA . 63 . HA 1 4
122 1 2 1 1 54 LEU QD . 63 . HD## 1 4
123 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
123 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
124 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
124 1 2 1 1 53 PRO QD . 62 . HD# 1 4
125 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
125 1 2 1 1 53 PRO QD . 62 . HD# 1 4
126 1 1 1 1 29 LYS HA . 38 . HA 1 4
126 1 2 1 1 29 LYS QD . 38 . HD# 1 4
127 1 1 1 1 33 LEU HB3 . 42 . HB1 1 4
127 1 2 1 1 33 LEU MD1 . 42 . HD1# 1 4
128 1 1 1 1 47 SER HA . 56 . HA 1 4
128 1 2 1 1 47 SER QB . 56 . HB# 1 4
129 1 1 1 1 16 ALA MB . 25 . HB# 1 4
129 1 2 1 1 18 GLU QG . 27 . HG# 1 4
130 1 1 1 1 20 LEU HB2 . 29 . HB2 1 4
130 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
131 1 1 1 1 7 PHE HB3 . 16 . HB1 1 4
131 1 2 1 1 7 PHE QD . 16 . HD# 1 4
132 1 1 1 1 7 PHE HB2 . 16 . HB2 1 4
132 1 2 1 1 7 PHE QD . 16 . HD# 1 4
133 1 1 1 1 11 VAL HA . 20 . HA 1 4
133 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 4
134 1 1 1 1 10 ASP QB . 19 . HB# 1 4
134 1 2 1 1 11 VAL HA . 20 . HA 1 4
135 1 1 1 1 62 LYS QB . 71 . HB# 1 4
135 1 2 1 1 67 PHE HB2 . 76 . HB2 1 4
136 1 1 1 1 15 THR HB . 24 . HB 1 4
136 1 2 1 1 15 THR MG . 24 . HG2# 1 4
137 1 1 1 1 42 PHE HB3 . 51 . HB1 1 4
137 1 2 1 1 42 PHE QD . 51 . HD# 1 4
138 1 1 1 1 42 PHE HB2 . 51 . HB2 1 4
138 1 2 1 1 42 PHE QD . 51 . HD# 1 4
139 1 1 1 1 36 GLU HA . 45 . HA 1 4
139 1 2 1 1 36 GLU QB . 45 . HB# 1 4
140 1 1 1 1 11 VAL HA . 20 . HA 1 4
140 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
141 1 1 1 1 60 LEU HB3 . 69 . HB1 1 4
141 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
142 1 1 1 1 60 LEU HB2 . 69 . HB2 1 4
142 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
143 1 1 1 1 45 THR HA . 54 . HA 1 4
143 1 2 1 1 45 THR MG . 54 . HG2# 1 4
144 1 1 1 1 57 GLN HA . 66 . HA 1 4
144 1 2 1 1 57 GLN QG . 66 . HG# 1 4
145 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
145 1 2 1 1 33 LEU HG . 42 . HG 1 4
146 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
146 1 2 1 1 60 LEU HB2 . 69 . HB2 1 4
147 1 1 1 1 5 GLU QB . 14 . HB# 1 4
147 1 2 1 1 7 PHE QE . 16 . HE# 1 4
148 1 1 1 1 3 LYS H . 12 . HN 1 4
148 1 2 1 1 3 LYS QB . 12 . HB# 1 4
149 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
149 1 2 1 1 52 LEU HG . 61 . HG 1 4
150 1 1 1 1 38 PHE QE . 47 . HE# 1 4
150 1 2 1 1 45 THR HA . 54 . HA 1 4
151 1 1 1 1 30 GLU QB . 39 . HB# 1 4
151 1 2 1 1 38 PHE QE . 47 . HE# 1 4
152 1 1 1 1 30 GLU HA . 39 . HA 1 4
152 1 2 1 1 38 PHE QE . 47 . HE# 1 4
153 1 1 1 1 38 PHE QE . 47 . HE# 1 4
153 1 2 1 1 46 ARG QG . 55 . HG# 1 4
154 1 1 1 1 38 PHE QE . 47 . HE# 1 4
154 1 2 1 1 49 PHE HA . 58 . HA 1 4
155 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 4
155 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
156 1 1 1 1 38 PHE HB3 . 47 . HB1 1 4
156 1 2 1 1 38 PHE QD . 47 . HD# 1 4
157 1 1 1 1 33 LEU HB2 . 42 . HB2 1 4
157 1 2 1 1 38 PHE QD . 47 . HD# 1 4
158 1 1 1 1 33 LEU HB3 . 42 . HB1 1 4
158 1 2 1 1 38 PHE QD . 47 . HD# 1 4
159 1 1 1 1 37 ASP HA . 46 . HA 1 4
159 1 2 1 1 40 ALA MB . 49 . HB# 1 4
160 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 4
160 1 2 1 1 37 ASP HA . 46 . HA 1 4
161 1 1 1 1 45 THR HB . 54 . HB 1 4
161 1 2 1 1 45 THR MG . 54 . HG2# 1 4
162 1 1 1 1 20 LEU HA . 29 . HA 1 4
162 1 2 1 1 21 PRO QD . 30 . HD# 1 4
163 1 1 1 1 20 LEU HG . 29 . HG 1 4
163 1 2 1 1 21 PRO QD . 30 . HD# 1 4
164 1 1 1 1 20 LEU HG . 29 . HG 1 4
164 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
165 1 1 1 1 20 LEU HG . 29 . HG 1 4
165 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
166 1 1 1 1 20 LEU HA . 29 . HA 1 4
166 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
167 1 1 1 1 39 LYS HA . 48 . HA 1 4
167 1 2 1 1 39 LYS QD . 48 . HD# 1 4
168 1 1 1 1 60 LEU HB2 . 69 . HB2 1 4
168 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
169 1 1 1 1 30 GLU HA . 39 . HA 1 4
169 1 2 1 1 66 LEU QD . 75 . HD## 1 4
170 1 1 1 1 30 GLU HA . 39 . HA 1 4
170 1 2 1 1 33 LEU MD1 . 42 . HD1# 1 4
171 1 1 1 1 30 GLU HA . 39 . HA 1 4
171 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
172 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
172 1 2 1 1 66 LEU QD . 75 . HD## 1 4
173 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
173 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
174 1 1 1 1 46 ARG HB2 . 55 . HB2 1 4
174 1 2 1 1 46 ARG QD . 55 . HD# 1 4
175 1 1 1 1 46 ARG HB3 . 55 . HB1 1 4
175 1 2 1 1 46 ARG QD . 55 . HD# 1 4
176 1 1 1 1 62 LYS QB . 71 . HB# 1 4
176 1 2 1 1 67 PHE HB3 . 76 . HB1 1 4
177 1 1 1 1 62 LYS QD . 71 . HD# 1 4
177 1 2 1 1 67 PHE HB3 . 76 . HB1 1 4
178 1 1 1 1 62 LYS QG . 71 . HG# 1 4
178 1 2 1 1 67 PHE HB3 . 76 . HB1 1 4
179 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 4
179 1 2 1 1 33 LEU HG . 42 . HG 1 4
180 1 1 1 1 67 PHE HA . 76 . HA 1 4
180 1 2 1 1 67 PHE QD . 76 . HD# 1 4
181 1 1 1 1 58 GLN HA . 67 . HA 1 4
181 1 2 1 1 67 PHE QD . 76 . HD# 1 4
182 1 1 1 1 20 LEU MD2 . 29 . HD2# 1 4
182 1 2 1 1 21 PRO QD . 30 . HD# 1 4
183 1 1 1 1 15 THR MG . 24 . HG2# 1 4
183 1 2 1 1 19 ASP QB . 28 . HB# 1 4
184 1 1 1 1 12 LEU HB3 . 21 . HB1 1 4
184 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
185 1 1 1 1 4 LEU HA . 13 . HA 1 4
185 1 2 1 1 4 LEU MD2 . 13 . HD2# 1 4
186 1 1 1 1 6 THR MG . 15 . HG2# 1 4
186 1 2 1 1 34 SER QB . 43 . HB# 1 4
187 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
187 1 2 1 1 38 PHE HA . 47 . HA 1 4
188 1 1 1 1 7 PHE HA . 16 . HA 1 4
188 1 2 1 1 7 PHE QD . 16 . HD# 1 4
189 1 1 1 1 7 PHE HA . 16 . HA 1 4
189 1 2 1 1 7 PHE QE . 16 . HE# 1 4
190 1 1 1 1 56 LYS HA . 65 . HA 1 4
190 1 2 1 1 59 ASN QB . 68 . HB# 1 4
191 1 1 1 1 9 LEU HA . 18 . HA 1 4
191 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
192 1 1 1 1 49 PHE HB3 . 58 . HB1 1 4
192 1 2 1 1 49 PHE QD . 58 . HD# 1 4
193 1 1 1 1 49 PHE HB2 . 58 . HB2 1 4
193 1 2 1 1 49 PHE QD . 58 . HD# 1 4
194 1 1 1 1 49 PHE QE . 58 . HE# 1 4
194 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
195 1 1 1 1 12 LEU HB2 . 21 . HB2 1 4
195 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
196 1 1 1 1 12 LEU HB3 . 21 . HB1 1 4
196 1 2 1 1 13 VAL HA . 22 . HA 1 4
197 1 1 1 1 52 LEU HB3 . 61 . HB1 1 4
197 1 2 1 1 53 PRO QD . 62 . HD# 1 4
198 1 1 1 1 56 LYS QG . 65 . HG# 1 4
198 1 2 1 1 57 GLN HA . 66 . HA 1 4
199 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
199 1 2 1 1 64 LYS QG . 73 . HG# 1 4
200 1 1 1 1 22 ARG QB . 31 . HB# 1 4
200 1 2 1 1 22 ARG QD . 31 . HD# 1 4
201 1 1 1 1 41 VAL HA . 50 . HA 1 4
201 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 4
202 1 1 1 1 7 PHE QD . 16 . HD# 1 4
202 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 4
203 1 1 1 1 24 VAL HA . 33 . HA 1 4
203 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
204 1 1 1 1 38 PHE QE . 47 . HE# 1 4
204 1 2 1 1 42 PHE HB3 . 51 . HB1 1 4
205 1 1 1 1 15 THR HA . 24 . HA 1 4
205 1 2 1 1 15 THR MG . 24 . HG2# 1 4
206 1 1 1 1 10 ASP HA . 19 . HA 1 4
206 1 2 1 1 13 VAL MG2 . 22 . HG2# 1 4
207 1 1 1 1 42 PHE HA . 51 . HA 1 4
207 1 2 1 1 42 PHE QD . 51 . HD# 1 4
208 1 1 1 1 8 PRO QD . 17 . HD# 1 4
208 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
209 1 1 1 1 7 PHE HB3 . 16 . HB1 1 4
209 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
210 1 1 1 1 57 GLN HA . 66 . HA 1 4
210 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
211 1 1 1 1 57 GLN HA . 66 . HA 1 4
211 1 2 1 1 60 LEU HB2 . 69 . HB2 1 4
212 1 1 1 1 33 LEU HB2 . 42 . HB2 1 4
212 1 2 1 1 33 LEU MD1 . 42 . HD1# 1 4
213 1 1 1 1 7 PHE QD . 16 . HD# 1 4
213 1 2 1 1 32 HIS HB3 . 41 . HB1 1 4
214 1 1 1 1 7 PHE QD . 16 . HD# 1 4
214 1 2 1 1 32 HIS HB2 . 41 . HB2 1 4
215 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 4
215 1 2 1 1 32 HIS HB2 . 41 . HB2 1 4
216 1 1 1 1 5 GLU QB . 14 . HB# 1 4
216 1 2 1 1 7 PHE QD . 16 . HD# 1 4
217 1 1 1 1 67 PHE HB3 . 76 . HB1 1 4
217 1 2 1 1 67 PHE QD . 76 . HD# 1 4
218 1 1 1 1 67 PHE HB2 . 76 . HB2 1 4
218 1 2 1 1 67 PHE QD . 76 . HD# 1 4
219 1 1 1 1 66 LEU QB . 75 . HB# 1 4
219 1 2 1 1 67 PHE QD . 76 . HD# 1 4
220 1 1 1 1 65 GLY H . 74 . HN 1 4
220 1 2 1 1 66 LEU QB . 75 . HB# 1 4
221 1 1 1 1 65 GLY H . 74 . HN 1 4
221 1 2 1 1 66 LEU QD . 75 . HD## 1 4
222 1 1 1 1 58 GLN HB3 . 67 . HB1 1 4
222 1 2 1 1 67 PHE QD . 76 . HD# 1 4
223 1 1 1 1 66 LEU HG . 75 . HG 1 4
223 1 2 1 1 67 PHE QD . 76 . HD# 1 4
224 1 1 1 1 57 GLN QG . 66 . HG# 1 4
224 1 2 1 1 67 PHE QD . 76 . HD# 1 4
225 1 1 1 1 62 LYS QG . 71 . HG# 1 4
225 1 2 1 1 67 PHE QD . 76 . HD# 1 4
226 1 1 1 1 58 GLN QG . 67 . HG# 1 4
226 1 2 1 1 67 PHE QD . 76 . HD# 1 4
227 1 1 1 1 49 PHE HA . 58 . HA 1 4
227 1 2 1 1 49 PHE QD . 58 . HD# 1 4
228 1 1 1 1 33 LEU HB3 . 42 . HB1 1 4
228 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
229 1 1 1 1 49 PHE QE . 58 . HE# 1 4
229 1 2 1 1 57 GLN HA . 66 . HA 1 4
230 1 1 1 1 21 PRO QD . 30 . HD# 1 4
230 1 2 1 1 24 VAL HB . 33 . HB 1 4
231 1 1 1 1 7 PHE QD . 16 . HD# 1 4
231 1 2 1 1 21 PRO HB3 . 30 . HB1 1 4
232 1 1 1 1 7 PHE QD . 16 . HD# 1 4
232 1 2 1 1 21 PRO HB2 . 30 . HB2 1 4
233 1 1 1 1 64 LYS HA . 73 . HA 1 4
233 1 2 1 1 64 LYS QD . 73 . HD# 1 4
234 1 1 1 1 63 GLU HA . 72 . HA 1 4
234 1 2 1 1 63 GLU QG . 72 . HG# 1 4
235 1 1 1 1 53 PRO HB2 . 62 . HB2 1 4
235 1 2 1 1 53 PRO QD . 62 . HD# 1 4
236 1 1 1 1 44 MET HA . 53 . HA 1 4
236 1 2 1 1 44 MET QG . 53 . HG# 1 4
237 1 1 1 1 44 MET HA . 53 . HA 1 4
237 1 2 1 1 44 MET ME . 53 . HE# 1 4
238 1 1 1 1 12 LEU HB3 . 21 . HB1 1 4
238 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
239 1 1 1 1 20 LEU HA . 29 . HA 1 4
239 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
240 1 1 1 1 24 VAL HA . 33 . HA 1 4
240 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
241 1 1 1 1 7 PHE QD . 16 . HD# 1 4
241 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
242 1 1 1 1 44 MET ME . 53 . HE# 1 4
242 1 2 1 1 44 MET QG . 53 . HG# 1 4
243 1 1 1 1 20 LEU HB3 . 29 . HB1 1 4
243 1 2 1 1 21 PRO QD . 30 . HD# 1 4
244 1 1 1 1 33 LEU HA . 42 . HA 1 4
244 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
245 1 1 1 1 38 PHE HA . 47 . HA 1 4
245 1 2 1 1 38 PHE QD . 47 . HD# 1 4
246 1 1 1 1 49 PHE QD . 58 . HD# 1 4
246 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
247 1 1 1 1 7 PHE QE . 16 . HE# 1 4
247 1 2 1 1 21 PRO HB3 . 30 . HB1 1 4
248 1 1 1 1 7 PHE QE . 16 . HE# 1 4
248 1 2 1 1 21 PRO HB2 . 30 . HB2 1 4
249 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
249 1 2 1 1 32 HIS HB3 . 41 . HB1 1 4
250 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
250 1 2 1 1 32 HIS HB3 . 41 . HB1 1 4
251 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
251 1 2 1 1 32 HIS HB2 . 41 . HB2 1 4
252 1 1 1 1 38 PHE QD . 47 . HD# 1 4
252 1 2 1 1 39 LYS H . 48 . HN 1 4
253 1 1 1 1 33 LEU HB2 . 42 . HB2 1 4
253 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
254 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
254 1 2 1 1 38 PHE QD . 47 . HD# 1 4
255 1 1 1 1 42 PHE QE . 51 . HE# 1 4
255 1 2 1 1 61 LYS HA . 70 . HA 1 4
256 1 1 1 1 60 LEU HA . 69 . HA 1 4
256 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
257 1 1 1 1 7 PHE QD . 16 . HD# 1 4
257 1 2 1 1 8 PRO QD . 17 . HD# 1 4
258 1 1 1 1 58 GLN HA . 67 . HA 1 4
258 1 2 1 1 58 GLN QG . 67 . HG# 1 4
259 1 1 1 1 38 PHE QE . 47 . HE# 1 4
259 1 2 1 1 46 ARG HA . 55 . HA 1 4
260 1 1 1 1 7 PHE QD . 16 . HD# 1 4
260 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
261 1 1 1 1 46 ARG HA . 55 . HA 1 4
261 1 2 1 1 46 ARG QD . 55 . HD# 1 4
262 1 1 1 1 12 LEU HA . 21 . HA 1 4
262 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
263 1 1 1 1 7 PHE QD . 16 . HD# 1 4
263 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
264 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
264 1 2 1 1 60 LEU HB2 . 69 . HB2 1 4
265 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
265 1 2 1 1 42 PHE QD . 51 . HD# 1 4
266 1 1 1 1 7 PHE QE . 16 . HE# 1 4
266 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 4
267 1 1 1 1 56 LYS HA . 65 . HA 1 4
267 1 2 1 1 56 LYS QD . 65 . HD# 1 4
268 1 1 1 1 7 PHE QD . 16 . HD# 1 4
268 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
269 1 1 1 1 12 LEU HA . 21 . HA 1 4
269 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
270 1 1 1 1 12 LEU HA . 21 . HA 1 4
270 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
271 1 1 1 1 53 PRO HB3 . 62 . HB1 1 4
271 1 2 1 1 53 PRO QD . 62 . HD# 1 4
272 1 1 1 1 41 VAL HB . 50 . HB 1 4
272 1 2 1 1 42 PHE QE . 51 . HE# 1 4
273 1 1 1 1 41 VAL MG2 . 50 . HG2# 1 4
273 1 2 1 1 42 PHE QE . 51 . HE# 1 4
274 1 1 1 1 38 PHE HA . 47 . HA 1 4
274 1 2 1 1 42 PHE QE . 51 . HE# 1 4
275 1 1 1 1 30 GLU HA . 39 . HA 1 4
275 1 2 1 1 42 PHE QE . 51 . HE# 1 4
276 1 1 1 1 42 PHE HA . 51 . HA 1 4
276 1 2 1 1 42 PHE QE . 51 . HE# 1 4
277 1 1 1 1 62 LYS HA . 71 . HA 1 4
277 1 2 1 1 62 LYS QG . 71 . HG# 1 4
278 1 1 1 1 56 LYS HA . 65 . HA 1 4
278 1 2 1 1 56 LYS QG . 65 . HG# 1 4
279 1 1 1 1 46 ARG HA . 55 . HA 1 4
279 1 2 1 1 46 ARG QG . 55 . HG# 1 4
280 1 1 1 1 5 GLU HA . 14 . HA 1 4
280 1 2 1 1 5 GLU QG . 14 . HG# 1 4
281 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
281 1 2 1 1 42 PHE QE . 51 . HE# 1 4
282 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
282 1 2 1 1 64 LYS QB . 73 . HB# 1 4
283 1 1 1 1 55 TRP HE3 . 64 . HE3 1 4
283 1 2 1 1 59 ASN QB . 68 . HB# 1 4
284 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 4
284 1 2 1 1 37 ASP HB3 . 46 . HB1 1 4
285 1 1 1 1 38 PHE QE . 47 . HE# 1 4
285 1 2 1 1 49 PHE HB3 . 58 . HB1 1 4
286 1 1 1 1 38 PHE QE . 47 . HE# 1 4
286 1 2 1 1 44 MET QG . 53 . HG# 1 4
287 1 1 1 1 7 PHE QE . 16 . HE# 1 4
287 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
288 1 1 1 1 53 PRO QD . 62 . HD# 1 4
288 1 2 1 1 56 LYS QB . 65 . HB# 1 4
289 1 1 1 1 53 PRO QD . 62 . HD# 1 4
289 1 2 1 1 56 LYS QG . 65 . HG# 1 4
290 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
290 1 2 1 1 56 LYS QG . 65 . HG# 1 4
291 1 1 1 1 12 LEU HB3 . 21 . HB1 1 4
291 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
292 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
292 1 2 1 1 13 VAL HB . 22 . HB 1 4
293 1 1 1 1 9 LEU QD . 18 . HD## 1 4
293 1 2 1 1 13 VAL HB . 22 . HB 1 4
294 1 1 1 1 49 PHE QD . 58 . HD# 1 4
294 1 2 1 1 50 ALA HA . 59 . HA 1 4
295 1 1 1 1 21 PRO HB3 . 30 . HB1 1 4
295 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
296 1 1 1 1 21 PRO HB2 . 30 . HB2 1 4
296 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
297 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
297 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
298 1 1 1 1 21 PRO QD . 30 . HD# 1 4
298 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
299 1 1 1 1 66 LEU HA . 75 . HA 1 4
299 1 2 1 1 66 LEU HG . 75 . HG 1 4
300 1 1 1 1 42 PHE HB3 . 51 . HB1 1 4
300 1 2 1 1 42 PHE QE . 51 . HE# 1 4
301 1 1 1 1 42 PHE QD . 51 . HD# 1 4
301 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
302 1 1 1 1 38 PHE HZ . 47 . HZ 1 4
302 1 2 1 1 49 PHE QD . 58 . HD# 1 4
303 1 1 1 1 67 PHE HA . 76 . HA 1 4
303 1 2 1 1 67 PHE QE . 76 . HE# 1 4
304 1 1 1 1 58 GLN QG . 67 . HG# 1 4
304 1 2 1 1 59 ASN H . 68 . HN 1 4
305 1 1 1 1 7 PHE HA . 16 . HA 1 4
305 1 2 1 1 8 PRO QG . 17 . HG# 1 4
306 1 1 1 1 7 PHE HA . 16 . HA 1 4
306 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
307 1 1 1 1 16 ALA MB . 25 . HB# 1 4
307 1 2 1 1 19 ASP H . 28 . HN 1 4
308 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
308 1 2 1 1 42 PHE HA . 51 . HA 1 4
309 1 1 1 1 29 LYS HA . 38 . HA 1 4
309 1 2 1 1 29 LYS QE . 38 . HE# 1 4
310 1 1 1 1 29 LYS QE . 38 . HE# 1 4
310 1 2 1 1 67 PHE HA . 76 . HA 1 4
311 1 1 1 1 55 TRP HZ3 . 64 . HZ3 1 4
311 1 2 1 1 59 ASN QD . 68 . HD2# 1 4
312 1 1 1 1 16 ALA MB . 25 . HB# 1 4
312 1 2 1 1 18 GLU H . 27 . HN 1 4
313 1 1 1 1 38 PHE HA . 47 . HA 1 4
313 1 2 1 1 42 PHE QD . 51 . HD# 1 4
314 1 1 1 1 42 PHE QD . 51 . HD# 1 4
314 1 2 1 1 61 LYS HA . 70 . HA 1 4
315 1 1 1 1 42 PHE QD . 51 . HD# 1 4
315 1 2 1 1 60 LEU HA . 69 . HA 1 4
316 1 1 1 1 7 PHE HB3 . 16 . HB1 1 4
316 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
317 1 1 1 1 7 PHE HB2 . 16 . HB2 1 4
317 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
318 1 1 1 1 38 PHE QE . 47 . HE# 1 4
318 1 2 1 1 42 PHE QD . 51 . HD# 1 4
319 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 4
319 1 2 1 1 37 ASP HB2 . 46 . HB2 1 4
320 1 1 1 1 20 LEU HB3 . 29 . HB1 1 4
320 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
321 1 1 1 1 49 PHE QE . 58 . HE# 1 4
321 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
322 1 1 1 1 41 VAL HB . 50 . HB 1 4
322 1 2 1 1 42 PHE QD . 51 . HD# 1 4
323 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
323 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
324 1 1 1 1 11 VAL MG2 . 20 . HG2# 1 4
324 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
325 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
325 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
326 1 1 1 1 41 VAL MG2 . 50 . HG2# 1 4
326 1 2 1 1 42 PHE QD . 51 . HD# 1 4
327 1 1 1 1 42 PHE HZ . 51 . HZ 1 4
327 1 2 1 1 61 LYS QG . 70 . HG# 1 4
328 1 1 1 1 42 PHE HZ . 51 . HZ 1 4
328 1 2 1 1 66 LEU QB . 75 . HB# 1 4
329 1 1 1 1 30 GLU QB . 39 . HB# 1 4
329 1 2 1 1 42 PHE HZ . 51 . HZ 1 4
330 1 1 1 1 6 THR MG . 15 . HG2# 1 4
330 1 2 1 1 34 SER H . 43 . HN 1 4
331 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
331 1 2 1 1 64 LYS QD . 73 . HD# 1 4
332 1 1 1 1 12 LEU HB3 . 21 . HB1 1 4
332 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
333 1 1 1 1 38 PHE QE . 47 . HE# 1 4
333 1 2 1 1 49 PHE QD . 58 . HD# 1 4
334 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
334 1 2 1 1 42 PHE HZ . 51 . HZ 1 4
335 1 1 1 1 55 TRP HE3 . 64 . HE3 1 4
335 1 2 1 1 59 ASN QD . 68 . HD2# 1 4
336 1 1 1 1 42 PHE QD . 51 . HD# 1 4
336 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
337 1 1 1 1 42 PHE QD . 51 . HD# 1 4
337 1 2 1 1 60 LEU HG . 69 . HG 1 4
338 1 1 1 1 38 PHE HA . 47 . HA 1 4
338 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 4
339 1 1 1 1 11 VAL MG1 . 20 . HG1# 1 4
339 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
340 1 1 1 1 49 PHE QE . 58 . HE# 1 4
340 1 2 1 1 61 LYS QG . 70 . HG# 1 4
341 1 1 1 1 49 PHE HZ . 58 . HZ 1 4
341 1 2 1 1 61 LYS QG . 70 . HG# 1 4
342 1 1 1 1 49 PHE QD . 58 . HD# 1 4
342 1 2 1 1 60 LEU MD2 . 69 . HD2# 1 4
343 1 1 1 1 38 PHE QD . 47 . HD# 1 4
343 1 2 1 1 46 ARG H . 55 . HN 1 4
344 1 1 1 1 46 ARG H . 55 . HN 1 4
344 1 2 1 1 46 ARG QD . 55 . HD# 1 4
345 1 1 1 1 20 LEU MD2 . 29 . HD2# 1 4
345 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
346 1 1 1 1 38 PHE QD . 47 . HD# 1 4
346 1 2 1 1 42 PHE QD . 51 . HD# 1 4
347 1 1 1 1 12 LEU MD2 . 21 . HD2# 1 4
347 1 2 1 1 13 VAL H . 22 . HN 1 4
348 1 1 1 1 13 VAL H . 22 . HN 1 4
348 1 2 1 1 20 LEU MD2 . 29 . HD2# 1 4
349 1 1 1 1 60 LEU MD1 . 69 . HD1# 1 4
349 1 2 1 1 61 LYS H . 70 . HN 1 4
350 1 1 1 1 60 LEU MD2 . 69 . HD2# 1 4
350 1 2 1 1 61 LYS H . 70 . HN 1 4
351 1 1 1 1 46 ARG HE . 55 . HE 1 4
351 1 2 1 1 46 ARG QG . 55 . HG# 1 4
352 1 1 1 1 54 LEU H . 63 . HN 1 4
352 1 2 1 1 54 LEU QD . 63 . HD## 1 4
353 1 1 1 1 33 LEU MD1 . 42 . HD1# 1 4
353 1 2 1 1 38 PHE H . 47 . HN 1 4
354 1 1 1 1 35 ASP QB . 44 . HB# 1 4
354 1 2 1 1 38 PHE H . 47 . HN 1 4
355 1 1 1 1 49 PHE HZ . 58 . HZ 1 4
355 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
356 1 1 1 1 42 PHE QE . 51 . HE# 1 4
356 1 2 1 1 49 PHE QE . 58 . HE# 1 4
357 1 1 1 1 42 PHE QD . 51 . HD# 1 4
357 1 2 1 1 49 PHE QE . 58 . HE# 1 4
358 1 1 1 1 33 LEU MD2 . 42 . HD2# 1 4
358 1 2 1 1 38 PHE H . 47 . HN 1 4
359 1 1 1 1 66 LEU HG . 75 . HG 1 4
359 1 2 1 1 67 PHE H . 76 . HN 1 4
360 1 1 1 1 38 PHE QD . 47 . HD# 1 4
360 1 2 1 1 42 PHE QE . 51 . HE# 1 4
361 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
361 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
362 1 1 1 1 49 PHE QD . 58 . HD# 1 4
362 1 2 1 1 50 ALA MB . 59 . HB# 1 4
363 1 1 1 1 54 LEU H . 63 . HN 1 4
363 1 2 1 1 54 LEU QB . 63 . HB# 1 4
364 1 1 1 1 9 LEU H . 18 . HN 1 4
364 1 2 1 1 33 LEU MD2 . 42 . HD2# 1 4
365 1 1 1 1 9 LEU H . 18 . HN 1 4
365 1 2 1 1 10 ASP QB . 19 . HB# 1 4
366 1 1 1 1 3 LYS QG . 12 . HG# 1 4
366 1 2 1 1 4 LEU H . 13 . HN 1 4
367 1 1 1 1 8 PRO HB3 . 17 . HB1 1 4
367 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
368 1 1 1 1 8 PRO HB2 . 17 . HB2 1 4
368 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
369 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
369 1 2 1 1 24 VAL MG1 . 33 . HG1# 1 4
370 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
370 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
371 1 1 1 1 7 PHE HB2 . 16 . HB2 1 4
371 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
372 1 1 1 1 7 PHE HB2 . 16 . HB2 1 4
372 1 2 1 1 8 PRO QD . 17 . HD# 1 4
373 1 1 1 1 7 PHE HB3 . 16 . HB1 1 4
373 1 2 1 1 11 VAL MG1 . 20 . HG1# 1 4
374 1 1 1 1 12 LEU MD1 . 21 . HD1# 1 4
374 1 2 1 1 32 HIS HB2 . 41 . HB2 1 4
375 1 1 1 1 49 PHE HA . 58 . HA 1 4
375 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 4
376 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
376 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
377 1 1 1 1 33 LEU HA . 42 . HA 1 4
377 1 2 1 1 33 LEU MD1 . 42 . HD1# 1 4
378 1 1 1 1 28 ARG HB3 . 37 . HB1 1 4
378 1 2 1 1 28 ARG QD . 37 . HD# 1 4
379 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
379 1 2 1 1 56 LYS QB . 65 . HB# 1 4
380 1 1 1 1 52 LEU MD2 . 61 . HD2# 1 4
380 1 2 1 1 56 LYS QB . 65 . HB# 1 4
381 1 1 1 1 52 LEU QB . 61 . HB# 1 4
381 1 2 1 1 56 LYS QB . 65 . HB# 1 4
382 1 1 1 1 8 PRO QG . 17 . HG# 1 4
382 1 2 1 1 11 VAL MG2 . 20 . HG2# 1 4
383 1 1 1 1 7 PHE H . 16 . HN 1 4
383 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
384 1 1 1 1 7 PHE H . 16 . HN 1 4
384 1 2 1 1 24 VAL MG2 . 33 . HG2# 1 4
385 1 1 1 1 12 LEU HA . 21 . HA 1 4
385 1 2 1 1 20 LEU HA . 29 . HA 1 4
386 1 1 1 1 52 LEU MD1 . 61 . HD1# 1 4
386 1 2 1 1 60 LEU MD1 . 69 . HD1# 1 4
387 1 1 1 1 42 PHE QD . 51 . HD# 1 4
387 1 2 1 1 66 LEU QD . 75 . HD## 1 4
388 1 1 1 1 64 LYS H . 73 . HN 1 4
388 1 2 1 1 66 LEU QD . 75 . HD## 1 4
389 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
389 1 2 1 1 64 LYS H . 73 . HN 1 4
390 1 1 1 1 64 LYS H . 73 . HN 1 4
390 1 2 1 1 64 LYS QG . 73 . HG# 1 4
391 1 1 1 1 7 PHE QE . 16 . HE# 1 4
391 1 2 1 1 12 LEU MD1 . 21 . HD1# 1 4
392 1 1 1 1 58 GLN HB3 . 67 . HB1 1 4
392 1 2 1 1 67 PHE QE . 76 . HE# 1 4
393 1 1 1 1 30 GLU QB . 39 . HB# 1 4
393 1 2 1 1 38 PHE QD . 47 . HD# 1 4
394 1 1 1 1 42 PHE QE . 51 . HE# 1 4
394 1 2 1 1 61 LYS QG . 70 . HG# 1 4
395 1 1 1 1 49 PHE QE . 58 . HE# 1 4
395 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 4
396 1 1 1 1 41 VAL MG1 . 50 . HG1# 1 4
396 1 2 1 1 42 PHE HB3 . 51 . HB1 1 4
397 1 1 1 1 9 LEU QD . 18 . HD## 1 4
397 1 2 1 1 41 VAL MG1 . 50 . HG1# 1 4
398 1 1 1 1 12 LEU H . 21 . HN 1 4
398 1 2 1 1 12 LEU MD2 . 21 . HD2# 1 4
399 1 1 1 1 52 LEU HA . 61 . HA 1 4
399 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 4
400 1 1 1 1 49 PHE QD . 58 . HD# 1 4
400 1 2 1 1 52 LEU MD1 . 61 . HD1# 1 4
401 1 1 1 1 42 PHE QD . 51 . HD# 1 4
401 1 2 1 1 60 LEU HB2 . 69 . HB2 1 4
402 1 1 1 1 42 PHE QD . 51 . HD# 1 4
402 1 2 1 1 60 LEU HB3 . 69 . HB1 1 4
403 1 1 1 1 36 GLU HA . 45 . HA 1 4
403 1 2 1 1 36 GLU QG . 45 . HG# 1 4
404 1 1 1 1 42 PHE HZ . 51 . HZ 1 4
404 1 2 1 1 66 LEU QD . 75 . HD## 1 4
405 1 1 1 1 17 ALA MB . 26 . HB# 1 4
405 1 2 1 1 26 PRO QG . 35 . HG# 1 4
406 1 1 1 1 17 ALA MB . 26 . HB# 1 4
406 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
407 1 1 1 1 26 PRO QB . 35 . HB# 1 4
407 1 2 1 1 26 PRO QD . 35 . HD# 1 4
408 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 4
408 1 2 1 1 26 PRO QB . 35 . HB# 1 4
409 1 1 1 1 26 PRO HA . 35 . HA 1 4
409 1 2 1 1 26 PRO QD . 35 . HD# 1 4
410 1 1 1 1 24 VAL MG1 . 33 . HG1# 1 4
410 1 2 1 1 26 PRO QD . 35 . HD# 1 4
411 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
411 1 2 1 1 26 PRO QG . 35 . HG# 1 4
412 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
412 1 2 1 1 26 PRO QB . 35 . HB# 1 4
413 1 1 1 1 20 LEU MD1 . 29 . HD1# 1 4
413 1 2 1 1 26 PRO QD . 35 . HD# 1 4
414 1 1 1 1 49 PHE QD . 58 . HD# 1 4
414 1 2 1 1 60 LEU HB3 . 69 . HB1 1 4
415 1 1 1 1 42 PHE QE . 51 . HE# 1 4
415 1 2 1 1 66 LEU QD . 75 . HD## 1 4
416 1 1 1 1 20 LEU HB3 . 29 . HB1 1 4
416 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
417 1 1 1 1 19 ASP QB . 28 . HB# 1 4
417 1 2 1 1 20 LEU MD1 . 29 . HD1# 1 4
418 1 1 1 1 42 PHE QE . 51 . HE# 1 4
418 1 2 1 1 60 LEU HB3 . 69 . HB1 1 4
419 1 1 1 1 52 LEU HA . 61 . HA 1 4
419 1 2 1 1 52 LEU MD2 . 61 . HD2# 1 4
420 1 1 1 1 52 LEU HA . 61 . HA 1 4
420 1 2 1 1 53 PRO QD . 62 . HD# 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 . . . . . 3.3 1.8 4.8 1 4
2 1 . . . . . 2.8 1.8 3.8 1 4
3 1 . . . . . 2.3 1.8 3.3 1 4
4 1 . . . . . 3.8 1.8 5.3 1 4
5 1 . . . . . 3.3 1.8 4.8 1 4
6 1 . . . . . 3.3 1.8 4.8 1 4
7 1 . . . . . 3.8 1.8 5.3 1 4
8 1 . . . . . 3.3 1.8 4.8 1 4
9 1 . . . . . 3.8 1.8 5.3 1 4
10 1 . . . . . 2.8 1.8 3.8 1 4
11 1 . . . . . 3.8 1.8 5.3 1 4
12 1 . . . . . 3.8 1.8 5.3 1 4
13 1 . . . . . 3.3 1.8 4.8 1 4
14 1 . . . . . 3.8 1.8 5.3 1 4
15 1 . . . . . 3.3 1.8 4.8 1 4
16 1 . . . . . 3.8 1.8 5.3 1 4
17 1 . . . . . 3.8 1.8 5.3 1 4
18 1 . . . . . 3.8 1.8 5.3 1 4
19 1 . . . . . 3.3 1.8 4.8 1 4
20 1 . . . . . 3.3 1.8 4.8 1 4
21 1 . . . . . 3.8 1.8 5.3 1 4
22 1 . . . . . 3.3 1.8 4.3 1 4
23 1 . . . . . 3.3 1.8 4.8 1 4
24 1 . . . . . 3.3 1.8 4.8 1 4
25 1 . . . . . 3.8 1.8 5.3 1 4
26 1 . . . . . 3.8 1.8 5.3 1 4
27 1 . . . . . 3.3 1.8 4.8 1 4
28 1 . . . . . 3.3 1.8 4.8 1 4
29 1 . . . . . 3.8 1.8 5.3 1 4
30 1 . . . . . 3.3 1.8 4.8 1 4
31 1 . . . . . 3.8 1.8 5.3 1 4
32 1 . . . . . 2.8 1.8 3.8 1 4
33 1 . . . . . 3.3 1.8 4.8 1 4
34 1 . . . . . 3.3 1.8 4.8 1 4
35 1 . . . . . 3.8 1.8 5.3 1 4
36 1 . . . . . 3.8 1.8 5.3 1 4
37 1 . . . . . 3.3 1.8 4.8 1 4
38 1 . . . . . 2.8 1.8 3.8 1 4
39 1 . . . . . 3.8 1.8 5.3 1 4
40 1 . . . . . 3.8 1.8 5.3 1 4
41 1 . . . . . 3.8 1.8 5.3 1 4
42 1 . . . . . 3.8 1.8 5.3 1 4
43 1 . . . . . 3.8 1.8 5.3 1 4
44 1 . . . . . 3.8 1.8 5.3 1 4
45 1 . . . . . 3.8 1.8 5.3 1 4
46 1 . . . . . 3.3 1.8 4.8 1 4
47 1 . . . . . 3.8 1.8 5.3 1 4
48 1 . . . . . 3.8 1.8 5.3 1 4
49 1 . . . . . 3.8 1.8 5.3 1 4
50 1 . . . . . 3.8 1.8 5.3 1 4
51 1 . . . . . 3.3 1.8 4.8 1 4
52 1 . . . . . 2.3 1.8 3.3 1 4
53 1 . . . . . 2.8 1.8 3.8 1 4
54 1 . . . . . 3.8 1.8 5.3 1 4
55 1 . . . . . 3.3 1.8 4.8 1 4
56 1 . . . . . 3.8 1.8 5.3 1 4
57 1 . . . . . 3.3 1.8 4.8 1 4
58 1 . . . . . 3.8 1.8 5.3 1 4
59 1 . . . . . 3.3 1.8 4.8 1 4
60 1 . . . . . 3.3 1.8 4.8 1 4
61 1 . . . . . 3.3 1.8 4.8 1 4
62 1 . . . . . 3.8 1.8 5.3 1 4
63 1 . . . . . 3.8 1.8 5.3 1 4
64 1 . . . . . 3.3 1.8 4.8 1 4
65 1 . . . . . 2.8 1.8 3.8 1 4
66 1 . . . . . 3.3 1.8 4.8 1 4
67 1 . . . . . 3.8 1.8 5.3 1 4
68 1 . . . . . 3.8 1.8 5.3 1 4
69 1 . . . . . 3.3 1.8 4.8 1 4
70 1 . . . . . 3.3 1.8 4.8 1 4
71 1 . . . . . 3.8 1.8 5.3 1 4
72 1 . . . . . 3.8 1.8 5.3 1 4
73 1 . . . . . 3.3 1.8 4.8 1 4
74 1 . . . . . 3.3 1.8 4.8 1 4
75 1 . . . . . 3.3 1.8 4.8 1 4
76 1 . . . . . 3.3 1.8 4.8 1 4
77 1 . . . . . 3.8 1.8 5.3 1 4
78 1 . . . . . 3.3 1.8 4.8 1 4
79 1 . . . . . 3.8 1.8 5.3 1 4
80 1 . . . . . 3.8 1.8 5.3 1 4
81 1 . . . . . 2.8 1.8 3.8 1 4
82 1 . . . . . 3.3 1.8 4.8 1 4
83 1 . . . . . 3.8 1.8 5.3 1 4
84 1 . . . . . 3.3 1.8 4.8 1 4
85 1 . . . . . 3.8 1.8 5.3 1 4
86 1 . . . . . 2.3 1.8 3.3 1 4
87 1 . . . . . 2.3 1.8 3.3 1 4
88 1 . . . . . 2.3 1.8 3.3 1 4
89 1 . . . . . 2.3 1.8 3.3 1 4
90 1 . . . . . 2.3 1.8 3.3 1 4
91 1 . . . . . 2.3 1.8 3.3 1 4
92 1 . . . . . 2.3 1.8 3.3 1 4
93 1 . . . . . 2.8 1.8 3.8 1 4
94 1 . . . . . 2.3 1.8 3.3 1 4
95 1 . . . . . 2.8 1.8 3.8 1 4
96 1 . . . . . 2.3 1.8 3.3 1 4
97 1 . . . . . 2.3 1.8 3.3 1 4
98 1 . . . . . 2.3 1.8 3.3 1 4
99 1 . . . . . 2.3 1.8 3.3 1 4
100 1 . . . . . 2.3 1.8 3.3 1 4
101 1 . . . . . 2.3 1.8 3.3 1 4
102 1 . . . . . 2.3 1.8 3.3 1 4
103 1 . . . . . 2.3 1.8 3.3 1 4
104 1 . . . . . 2.3 1.8 3.3 1 4
105 1 . . . . . 2.3 1.8 3.3 1 4
106 1 . . . . . 2.8 1.8 3.8 1 4
107 1 . . . . . 2.3 1.8 3.3 1 4
108 1 . . . . . 2.3 1.8 3.3 1 4
109 1 . . . . . 2.3 1.8 3.3 1 4
110 1 . . . . . 2.3 1.8 3.3 1 4
111 1 . . . . . 2.3 1.8 3.3 1 4
112 1 . . . . . 2.3 1.8 3.3 1 4
113 1 . . . . . 2.3 1.8 3.3 1 4
114 1 . . . . . 2.3 1.8 3.3 1 4
115 1 . . . . . 2.8 1.8 3.8 1 4
116 1 . . . . . 2.8 1.8 3.8 1 4
117 1 . . . . . 2.3 1.8 3.3 1 4
118 1 . . . . . 2.3 1.8 3.3 1 4
119 1 . . . . . 2.3 1.8 3.3 1 4
120 1 . . . . . 2.3 1.8 3.3 1 4
121 1 . . . . . 2.3 1.8 3.3 1 4
122 1 . . . . . 2.8 1.8 3.8 1 4
123 1 . . . . . 2.3 1.8 3.3 1 4
124 1 . . . . . 3.3 1.8 4.8 1 4
125 1 . . . . . 3.8 1.8 5.3 1 4
126 1 . . . . . 2.8 1.8 3.8 1 4
127 1 . . . . . 2.3 1.8 3.3 1 4
128 1 . . . . . 2.3 1.8 3.3 1 4
129 1 . . . . . 2.8 1.8 3.8 1 4
130 1 . . . . . 2.8 1.8 3.8 1 4
131 1 . . . . . 2.3 1.8 3.3 1 4
132 1 . . . . . 2.3 1.8 3.3 1 4
133 1 . . . . . 2.8 1.8 3.8 1 4
134 1 . . . . . 3.8 1.8 5.3 1 4
135 1 . . . . . 3.3 1.8 4.8 1 4
136 1 . . . . . 2.3 1.8 3.3 1 4
137 1 . . . . . 2.3 1.8 3.3 1 4
138 1 . . . . . 2.3 1.8 3.3 1 4
139 1 . . . . . 2.3 1.8 3.3 1 4
140 1 . . . . . 2.8 1.8 3.8 1 4
141 1 . . . . . 2.8 1.8 3.8 1 4
142 1 . . . . . 2.8 1.8 3.8 1 4
143 1 . . . . . 2.3 1.8 3.3 1 4
144 1 . . . . . 3.3 1.8 4.8 1 4
145 1 . . . . . 2.3 1.8 3.3 1 4
146 1 . . . . . 3.3 1.8 4.8 1 4
147 1 . . . . . 2.8 1.8 3.8 1 4
148 1 . . . . . 2.8 1.8 3.8 1 4
149 1 . . . . . 2.3 1.8 3.3 1 4
150 1 . . . . . 3.8 1.8 5.3 1 4
151 1 . . . . . 2.8 1.8 3.8 1 4
152 1 . . . . . 3.3 1.8 4.8 1 4
153 1 . . . . . 3.3 1.8 4.8 1 4
154 1 . . . . . 3.8 1.8 5.3 1 4
155 1 . . . . . 2.8 1.8 3.8 1 4
156 1 . . . . . 2.8 1.8 3.8 1 4
157 1 . . . . . 3.3 1.8 4.8 1 4
158 1 . . . . . 3.3 1.8 4.8 1 4
159 1 . . . . . 2.8 1.8 3.8 1 4
160 1 . . . . . 3.8 1.8 5.3 1 4
161 1 . . . . . 2.3 1.8 3.3 1 4
162 1 . . . . . 2.8 1.8 3.8 1 4
163 1 . . . . . 3.8 1.8 5.3 1 4
164 1 . . . . . 3.8 1.8 5.3 1 4
165 1 . . . . . 3.3 1.8 4.8 1 4
166 1 . . . . . 3.8 1.8 5.3 1 4
167 1 . . . . . 3.5 1.8 5.5 1 4
168 1 . . . . . 2.8 1.8 3.8 1 4
169 1 . . . . . 3.8 1.8 5.3 1 4
170 1 . . . . . 3.3 1.8 4.8 1 4
171 1 . . . . . 3.8 1.8 5.3 1 4
172 1 . . . . . 2.8 1.8 3.8 1 4
173 1 . . . . . 2.8 1.8 3.8 1 4
174 1 . . . . . 3.3 1.8 4.8 1 4
175 1 . . . . . 3.3 1.8 4.8 1 4
176 1 . . . . . 3.3 1.8 4.8 1 4
177 1 . . . . . 3.3 1.8 4.8 1 4
178 1 . . . . . 3.8 1.8 5.3 1 4
179 1 . . . . . 2.3 1.8 3.3 1 4
180 1 . . . . . 2.8 1.8 3.8 1 4
181 1 . . . . . 3.8 1.8 5.3 1 4
182 1 . . . . . 2.8 1.8 3.8 1 4
183 1 . . . . . 2.8 1.8 3.8 1 4
184 1 . . . . . 2.8 1.8 3.8 1 4
185 1 . . . . . 3.3 1.8 4.8 1 4
186 1 . . . . . 3.3 1.8 4.8 1 4
187 1 . . . . . 2.8 1.8 3.8 1 4
188 1 . . . . . 2.8 1.8 3.8 1 4
189 1 . . . . . 3.8 1.8 5.3 1 4
190 1 . . . . . 2.8 1.8 3.8 1 4
191 1 . . . . . 2.8 1.8 3.8 1 4
192 1 . . . . . 2.3 1.8 3.3 1 4
193 1 . . . . . 2.3 1.8 3.3 1 4
194 1 . . . . . 2.8 1.8 3.8 1 4
195 1 . . . . . 2.8 1.8 3.8 1 4
196 1 . . . . . 2.8 1.8 3.8 1 4
197 1 . . . . . 3.3 1.8 4.3 1 4
198 1 . . . . . 2.8 1.8 3.8 1 4
199 1 . . . . . 3.3 1.8 4.8 1 4
200 1 . . . . . 2.8 1.8 3.8 1 4
201 1 . . . . . 2.8 1.8 3.8 1 4
202 1 . . . . . 2.8 1.8 3.8 1 4
203 1 . . . . . 2.8 1.8 3.8 1 4
204 1 . . . . . 3.8 1.8 5.3 1 4
205 1 . . . . . 2.8 1.8 3.8 1 4
206 1 . . . . . 3.3 1.8 4.8 1 4
207 1 . . . . . 2.8 1.8 3.8 1 4
208 1 . . . . . 2.8 1.8 3.8 1 4
209 1 . . . . . 3.3 1.8 4.8 1 4
210 1 . . . . . 3.3 1.8 4.8 1 4
211 1 . . . . . 3.8 1.8 5.3 1 4
212 1 . . . . . 2.8 1.8 3.8 1 4
213 1 . . . . . 2.8 1.8 3.8 1 4
214 1 . . . . . 3.3 1.8 4.8 1 4
215 1 . . . . . 3.8 1.8 5.3 1 4
216 1 . . . . . 2.8 1.8 3.8 1 4
217 1 . . . . . 2.8 1.8 3.8 1 4
218 1 . . . . . 2.3 1.8 3.3 1 4
219 1 . . . . . 3.3 1.8 4.8 1 4
220 1 . . . . . 3.8 1.8 5.3 1 4
221 1 . . . . . 3.8 1.8 5.3 1 4
222 1 . . . . . 3.3 1.8 4.8 1 4
223 1 . . . . . 3.3 1.8 4.8 1 4
224 1 . . . . . 3.3 1.8 4.8 1 4
225 1 . . . . . 3.3 1.8 4.8 1 4
226 1 . . . . . 3.8 1.8 5.3 1 4
227 1 . . . . . 2.8 1.8 3.8 1 4
228 1 . . . . . 2.8 1.8 3.8 1 4
229 1 . . . . . 2.8 1.8 3.8 1 4
230 1 . . . . . 3.8 1.8 5.3 1 4
231 1 . . . . . 3.3 1.8 4.8 1 4
232 1 . . . . . 3.3 1.8 4.8 1 4
233 1 . . . . . 2.8 1.8 3.8 1 4
234 1 . . . . . 3.3 1.8 4.8 1 4
235 1 . . . . . 3.3 1.8 4.8 1 4
236 1 . . . . . 3.3 1.8 4.8 1 4
237 1 . . . . . 2.8 1.8 3.8 1 4
238 1 . . . . . 2.8 1.8 3.8 1 4
239 1 . . . . . 3.3 1.8 4.8 1 4
240 1 . . . . . 2.8 1.8 3.8 1 4
241 1 . . . . . 2.8 1.8 3.8 1 4
242 1 . . . . . 2.8 1.8 3.8 1 4
243 1 . . . . . 3.3 1.8 4.8 1 4
244 1 . . . . . 2.8 1.8 3.8 1 4
245 1 . . . . . 2.8 1.8 3.8 1 4
246 1 . . . . . 2.8 1.8 3.8 1 4
247 1 . . . . . 3.8 1.8 5.3 1 4
248 1 . . . . . 3.8 1.8 5.3 1 4
249 1 . . . . . 3.3 1.8 4.8 1 4
250 1 . . . . . 3.8 1.8 5.3 1 4
251 1 . . . . . 3.3 1.8 4.8 1 4
252 1 . . . . . 3.3 1.8 4.8 1 4
253 1 . . . . . 3.3 1.8 4.8 1 4
254 1 . . . . . 2.8 1.8 3.8 1 4
255 1 . . . . . 2.8 1.8 3.8 1 4
256 1 . . . . . 2.8 1.8 3.8 1 4
257 1 . . . . . 2.8 1.8 3.8 1 4
258 1 . . . . . 3.3 1.8 4.8 1 4
259 1 . . . . . 2.8 1.8 3.8 1 4
260 1 . . . . . 2.3 1.8 3.3 1 4
261 1 . . . . . 3.3 1.8 4.8 1 4
262 1 . . . . . 3.3 1.8 4.8 1 4
263 1 . . . . . 2.8 1.8 3.8 1 4
264 1 . . . . . 2.8 1.8 3.8 1 4
265 1 . . . . . 2.8 1.8 3.8 1 4
266 1 . . . . . 2.8 1.8 3.8 1 4
267 1 . . . . . 3.3 1.8 4.8 1 4
268 1 . . . . . 2.8 1.8 3.8 1 4
269 1 . . . . . 2.8 1.8 3.8 1 4
270 1 . . . . . 2.8 1.8 3.8 1 4
271 1 . . . . . 3.3 1.8 4.8 1 4
272 1 . . . . . 2.8 1.8 3.8 1 4
273 1 . . . . . 3.8 1.8 5.3 1 4
274 1 . . . . . 3.3 1.8 4.8 1 4
275 1 . . . . . 3.3 1.8 4.8 1 4
276 1 . . . . . 3.8 1.8 5.3 1 4
277 1 . . . . . 3.3 1.8 4.8 1 4
278 1 . . . . . 3.3 1.8 4.8 1 4
279 1 . . . . . 2.8 1.8 3.8 1 4
280 1 . . . . . 3.3 1.8 4.8 1 4
281 1 . . . . . 2.8 1.8 3.8 1 4
282 1 . . . . . 2.8 1.8 3.8 1 4
283 1 . . . . . 3.3 1.8 4.8 1 4
284 1 . . . . . 3.3 1.8 4.8 1 4
285 1 . . . . . 2.8 1.8 3.8 1 4
286 1 . . . . . 3.3 1.8 4.8 1 4
287 1 . . . . . 3.3 1.8 4.8 1 4
288 1 . . . . . 3.3 1.8 4.8 1 4
289 1 . . . . . 3.3 1.8 4.8 1 4
290 1 . . . . . 3.3 1.8 4.8 1 4
291 1 . . . . . 2.8 1.8 3.8 1 4
292 1 . . . . . 3.8 1.8 5.3 1 4
293 1 . . . . . 2.8 1.8 3.8 1 4
294 1 . . . . . 3.3 1.8 4.8 1 4
295 1 . . . . . 3.3 1.8 4.8 1 4
296 1 . . . . . 2.8 1.8 3.8 1 4
297 1 . . . . . 2.8 1.8 3.8 1 4
298 1 . . . . . 3.3 1.8 4.8 1 4
299 1 . . . . . 3.3 1.8 4.8 1 4
300 1 . . . . . 3.3 1.8 4.8 1 4
301 1 . . . . . 3.3 1.8 4.8 1 4
302 1 . . . . . 3.3 1.8 4.8 1 4
303 1 . . . . . 3.3 1.8 4.8 1 4
304 1 . . . . . 3.8 1.8 5.3 1 4
305 1 . . . . . 3.8 1.8 5.3 1 4
306 1 . . . . . 3.3 1.8 4.8 1 4
307 1 . . . . . 2.8 1.8 3.8 1 4
308 1 . . . . . 3.3 1.8 4.8 1 4
309 1 . . . . . 3.8 1.8 5.3 1 4
310 1 . . . . . 3.8 1.8 5.3 1 4
311 1 . . . . . 3.8 1.8 5.3 1 4
312 1 . . . . . 2.8 1.8 3.8 1 4
313 1 . . . . . 3.3 1.8 4.8 1 4
314 1 . . . . . 3.8 1.8 5.3 1 4
315 1 . . . . . 3.8 1.8 5.3 1 4
316 1 . . . . . 3.3 1.8 4.8 1 4
317 1 . . . . . 3.3 1.8 4.8 1 4
318 1 . . . . . 3.3 1.8 4.8 1 4
319 1 . . . . . 3.3 1.8 4.8 1 4
320 1 . . . . . 3.3 1.8 4.8 1 4
321 1 . . . . . 3.3 1.8 4.8 1 4
322 1 . . . . . 3.3 1.8 4.8 1 4
323 1 . . . . . 3.3 1.8 4.8 1 4
324 1 . . . . . 3.3 1.8 4.8 1 4
325 1 . . . . . 2.8 1.8 3.8 1 4
326 1 . . . . . 3.3 1.8 4.8 1 4
327 1 . . . . . 3.3 1.8 4.8 1 4
328 1 . . . . . 3.3 1.8 4.8 1 4
329 1 . . . . . 3.3 1.8 4.8 1 4
330 1 . . . . . 3.3 1.8 4.8 1 4
331 1 . . . . . 3.3 1.8 4.8 1 4
332 1 . . . . . 3.3 1.8 4.8 1 4
333 1 . . . . . 3.3 1.8 4.8 1 4
334 1 . . . . . 3.3 1.8 4.8 1 4
335 1 . . . . . 3.3 1.8 4.8 1 4
336 1 . . . . . 3.3 1.8 4.8 1 4
337 1 . . . . . 3.3 1.8 4.8 1 4
338 1 . . . . . 3.3 1.8 4.8 1 4
339 1 . . . . . 3.3 1.8 4.8 1 4
340 1 . . . . . 3.8 1.8 5.3 1 4
341 1 . . . . . 3.3 1.8 4.8 1 4
342 1 . . . . . 3.3 1.8 4.8 1 4
343 1 . . . . . 3.3 1.8 4.8 1 4
344 1 . . . . . 3.8 1.8 5.3 1 4
345 1 . . . . . 2.8 1.8 3.8 1 4
346 1 . . . . . 3.3 1.8 4.8 1 4
347 1 . . . . . 3.8 1.8 5.3 1 4
348 1 . . . . . 3.3 1.8 4.8 1 4
349 1 . . . . . 3.8 1.8 5.3 1 4
350 1 . . . . . 3.8 1.8 5.3 1 4
351 1 . . . . . 3.3 1.8 4.8 1 4
352 1 . . . . . 3.3 1.8 4.8 1 4
353 1 . . . . . 3.3 1.8 4.8 1 4
354 1 . . . . . 3.8 1.8 5.3 1 4
355 1 . . . . . 3.8 1.8 5.3 1 4
356 1 . . . . . 3.3 1.8 4.8 1 4
357 1 . . . . . 3.3 1.8 4.8 1 4
358 1 . . . . . 3.8 1.8 5.3 1 4
359 1 . . . . . 3.8 1.8 5.3 1 4
360 1 . . . . . 2.8 1.8 3.8 1 4
361 1 . . . . . 3.3 1.8 4.3 1 4
362 1 . . . . . 3.3 1.8 4.8 1 4
363 1 . . . . . 3.3 1.8 4.8 1 4
364 1 . . . . . 3.8 1.8 5.3 1 4
365 1 . . . . . 3.8 1.8 5.3 1 4
366 1 . . . . . 3.3 1.8 4.8 1 4
367 1 . . . . . 3.8 1.8 5.3 1 4
368 1 . . . . . 3.3 1.8 4.8 1 4
369 1 . . . . . 3.3 1.8 4.8 1 4
370 1 . . . . . 3.8 1.8 5.3 1 4
371 1 . . . . . 3.3 1.8 4.8 1 4
372 1 . . . . . 3.8 1.8 5.3 1 4
373 1 . . . . . 3.3 1.8 4.8 1 4
374 1 . . . . . 2.8 1.8 3.8 1 4
375 1 . . . . . 2.8 1.8 3.8 1 4
376 1 . . . . . 2.8 1.8 3.8 1 4
377 1 . . . . . 3.8 1.8 5.3 1 4
378 1 . . . . . 3.3 1.8 4.8 1 4
379 1 . . . . . 3.8 1.8 5.3 1 4
380 1 . . . . . 3.8 1.8 5.3 1 4
381 1 . . . . . 3.8 1.8 5.3 1 4
382 1 . . . . . 3.3 1.8 4.8 1 4
383 1 . . . . . 3.8 1.8 5.3 1 4
384 1 . . . . . 3.8 1.8 5.3 1 4
385 1 . . . . . 2.8 1.8 3.8 1 4
386 1 . . . . . 2.8 1.8 3.8 1 4
387 1 . . . . . 3.8 1.8 5.3 1 4
388 1 . . . . . 3.8 1.8 5.3 1 4
389 1 . . . . . 3.8 1.8 5.3 1 4
390 1 . . . . . 2.8 1.8 3.8 1 4
391 1 . . . . . 3.3 1.8 4.8 1 4
392 1 . . . . . 3.3 1.8 4.8 1 4
393 1 . . . . . 3.3 1.8 4.8 1 4
394 1 . . . . . 3.3 1.8 4.8 1 4
395 1 . . . . . 3.3 1.8 4.8 1 4
396 1 . . . . . 3.3 1.8 4.8 1 4
397 1 . . . . . 3.3 1.8 4.8 1 4
398 1 . . . . . 3.3 1.8 4.8 1 4
399 1 . . . . . 3.3 1.8 4.8 1 4
400 1 . . . . . 2.8 1.8 3.8 1 4
401 1 . . . . . 3.3 1.8 4.8 1 4
402 1 . . . . . 3.3 1.8 4.8 1 4
403 1 . . . . . 2.8 1.8 3.8 1 4
404 1 . . . . . 2.8 1.8 3.8 1 4
405 1 . . . . . 3.3 1.8 4.8 1 4
406 1 . . . . . 3.3 1.8 4.8 1 4
407 1 . . . . . 2.8 1.8 3.8 1 4
408 1 . . . . . 3.8 1.8 5.3 1 4
409 1 . . . . . 3.3 1.8 4.8 1 4
410 1 . . . . . 3.3 1.8 4.8 1 4
411 1 . . . . . 2.8 1.8 3.8 1 4
412 1 . . . . . 3.3 1.8 4.8 1 4
413 1 . . . . . 3.3 1.8 4.8 1 4
414 1 . . . . . 3.8 1.8 5.3 1 4
415 1 . . . . . 2.8 1.8 3.8 1 4
416 1 . . . . . 2.8 1.8 3.8 1 4
417 1 . . . . . 2.8 1.8 3.8 1 4
418 1 . . . . . 2.8 1.8 3.8 1 4
419 1 . . . . . 2.3 1.8 3.3 1 4
420 1 . . . . . 2.8 1.8 3.8 1 4
stop_
save_
save_CNS/XPLOR_distance_constraints_15_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 5
_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 5
2 1 . . . 1 5
3 1 . . . 1 5
4 1 . . . 1 5
5 1 . . . 1 5
6 1 . . . 1 5
7 1 . . . 1 5
8 1 . . . 1 5
9 1 . . . 1 5
10 1 . . . 1 5
11 1 . . . 1 5
12 1 . . . 1 5
13 1 . . . 1 5
14 1 . . . 1 5
15 1 . . . 1 5
16 1 . . . 1 5
17 1 . . . 1 5
18 1 . . . 1 5
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 34 SER O . 43 . O 1 5
1 1 2 1 1 38 PHE N . 47 . N 1 5
2 1 1 1 1 34 SER O . 43 . O 1 5
2 1 2 1 1 38 PHE H . 47 . HN 1 5
3 1 1 1 1 36 GLU O . 45 . O 1 5
3 1 2 1 1 39 LYS N . 48 . N 1 5
4 1 1 1 1 36 GLU O . 45 . O 1 5
4 1 2 1 1 39 LYS H . 48 . HN 1 5
5 1 1 1 1 37 ASP O . 46 . O 1 5
5 1 2 1 1 41 VAL N . 50 . N 1 5
6 1 1 1 1 37 ASP O . 46 . O 1 5
6 1 2 1 1 41 VAL H . 50 . HN 1 5
7 1 1 1 1 38 PHE O . 47 . O 1 5
7 1 2 1 1 42 PHE N . 51 . N 1 5
8 1 1 1 1 38 PHE O . 47 . O 1 5
8 1 2 1 1 42 PHE H . 51 . HN 1 5
9 1 1 1 1 39 LYS O . 48 . O 1 5
9 1 2 1 1 43 GLY N . 52 . N 1 5
10 1 1 1 1 39 LYS O . 48 . O 1 5
10 1 2 1 1 43 GLY H . 52 . HN 1 5
11 1 1 1 1 54 LEU O . 63 . O 1 5
11 1 2 1 1 58 GLN N . 67 . N 1 5
12 1 1 1 1 54 LEU O . 63 . O 1 5
12 1 2 1 1 58 GLN H . 67 . HN 1 5
13 1 1 1 1 56 LYS O . 65 . O 1 5
13 1 2 1 1 60 LEU N . 69 . N 1 5
14 1 1 1 1 56 LYS O . 65 . O 1 5
14 1 2 1 1 60 LEU H . 69 . HN 1 5
15 1 1 1 1 57 GLN O . 66 . O 1 5
15 1 2 1 1 61 LYS N . 70 . N 1 5
16 1 1 1 1 57 GLN O . 66 . O 1 5
16 1 2 1 1 61 LYS H . 70 . HN 1 5
17 1 1 1 1 58 GLN O . 67 . O 1 5
17 1 2 1 1 62 LYS N . 71 . N 1 5
18 1 1 1 1 58 GLN O . 67 . O 1 5
18 1 2 1 1 62 LYS H . 71 . HN 1 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.5 3.5 1 5
2 1 . . . . . 2.3 1.5 2.5 1 5
3 1 . . . . . 3.3 2.5 3.5 1 5
4 1 . . . . . 2.3 1.5 2.5 1 5
5 1 . . . . . 3.3 2.5 3.5 1 5
6 1 . . . . . 2.3 1.5 2.5 1 5
7 1 . . . . . 3.3 2.5 3.5 1 5
8 1 . . . . . 2.3 1.5 2.5 1 5
9 1 . . . . . 3.3 2.5 3.5 1 5
10 1 . . . . . 2.3 1.5 2.5 1 5
11 1 . . . . . 3.3 2.5 3.5 1 5
12 1 . . . . . 2.3 1.5 2.5 1 5
13 1 . . . . . 3.3 2.5 3.5 1 5
14 1 . . . . . 2.3 1.5 2.5 1 5
15 1 . . . . . 3.3 2.5 3.5 1 5
16 1 . . . . . 2.3 1.5 2.5 1 5
17 1 . . . . . 3.3 2.5 3.5 1 5
18 1 . . . . . 2.3 1.5 2.5 1 5
stop_
save_
save_CNS/XPLOR_dihedral_3
_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 7 PHE N 1 1 7 PHE CA 1 1 7 PHE CB 1 1 7 PHE CG -89.99999 -30.0 . 16 . N . 16 . CA . 16 . CB . 16 . CG 1 1
2 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU CB 1 1 12 LEU CG -89.99999 -30.0 . 21 . N . 21 . CA . 21 . CB . 21 . CG 1 1
3 . 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG -120.0 0.0 . 29 . N . 29 . CA . 29 . CB . 29 . CG 1 1
4 . 1 1 28 ARG N 1 1 28 ARG CA 1 1 28 ARG CB 1 1 28 ARG CG -89.99999 -30.0 . 37 . N . 37 . CA . 37 . CB . 37 . CG 1 1
5 . 1 1 31 ASN N 1 1 31 ASN CA 1 1 31 ASN CB 1 1 31 ASN CG -120.0 0.0 . 40 . N . 40 . CA . 40 . CB . 40 . CG 1 1
6 . 1 1 32 HIS N 1 1 32 HIS CA 1 1 32 HIS CB 1 1 32 HIS CG -89.99999 -30.0 . 41 . N . 41 . CA . 41 . CB . 41 . CG 1 1
7 . 1 1 33 LEU N 1 1 33 LEU CA 1 1 33 LEU CB 1 1 33 LEU CG -89.99999 -30.0 . 42 . N . 42 . CA . 42 . CB . 42 . CG 1 1
8 . 1 1 37 ASP N 1 1 37 ASP CA 1 1 37 ASP CB 1 1 37 ASP CG -120.0 0.0 . 46 . N . 46 . CA . 46 . CB . 46 . CG 1 1
9 . 1 1 38 PHE N 1 1 38 PHE CA 1 1 38 PHE CB 1 1 38 PHE CG 150.0 210.0 . 47 . N . 47 . CA . 47 . CB . 47 . CG 1 1
10 . 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE CB 1 1 42 PHE CG -89.99999 -30.0 . 51 . N . 51 . CA . 51 . CB . 51 . CG 1 1
11 . 1 1 44 MET N 1 1 44 MET CA 1 1 44 MET CB 1 1 44 MET CG 30.0 89.99999 . 53 . N . 53 . CA . 53 . CB . 53 . CG 1 1
12 . 1 1 46 ARG N 1 1 46 ARG CA 1 1 46 ARG CB 1 1 46 ARG CG 0.0 120.0 . 55 . N . 55 . CA . 55 . CB . 55 . CG 1 1
13 . 1 1 49 PHE N 1 1 49 PHE CA 1 1 49 PHE CB 1 1 49 PHE CG -210.0 -150.0 . 58 . N . 58 . CA . 58 . CB . 58 . CG 1 1
14 . 1 1 51 ASN N 1 1 51 ASN CA 1 1 51 ASN CB 1 1 51 ASN CG -120.0 0.0 . 60 . N . 60 . CA . 60 . CB . 60 . CG 1 1
15 . 1 1 52 LEU N 1 1 52 LEU CA 1 1 52 LEU CB 1 1 52 LEU CG -89.99999 -30.0 . 61 . N . 61 . CA . 61 . CB . 61 . CG 1 1
16 . 1 1 55 TRP N 1 1 55 TRP CA 1 1 55 TRP CB 1 1 55 TRP CG 30.0 89.99999 . 64 . N . 64 . CA . 64 . CB . 64 . CG 1 1
17 . 1 1 58 GLN N 1 1 58 GLN CA 1 1 58 GLN CB 1 1 58 GLN CG 30.0 89.99999 . 67 . N . 67 . CA . 67 . CB . 67 . CG 1 1
18 . 1 1 60 LEU N 1 1 60 LEU CA 1 1 60 LEU CB 1 1 60 LEU CG -120.0 0.0 . 69 . N . 69 . CA . 69 . CB . 69 . CG 1 1
19 . 1 1 67 PHE N 1 1 67 PHE CA 1 1 67 PHE CB 1 1 67 PHE CG -89.99999 -30.0 . 76 . N . 76 . CA . 76 . CB . 76 . CG 1 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 2
_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 4 LEU C 1 1 5 GLU N 1 1 5 GLU CA 1 1 5 GLU C -160.0 -80.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 2
2 . 1 1 5 GLU C 1 1 6 THR N 1 1 6 THR CA 1 1 6 THR C -150.0 -89.99999 . 14 . C . 15 . N . 15 . CA . 15 . C 1 2
3 . 1 1 6 THR C 1 1 7 PHE N 1 1 7 PHE CA 1 1 7 PHE C -150.0 -89.99999 . 15 . C . 16 . N . 16 . CA . 16 . C 1 2
4 . 1 1 8 PRO C 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU C -89.99999 -30.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 2
5 . 1 1 9 LEU C 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP C -89.99999 -30.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 2
6 . 1 1 11 VAL C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -150.0 -89.99999 . 20 . C . 21 . N . 21 . CA . 21 . C 1 2
7 . 1 1 14 ASN C 1 1 15 THR N 1 1 15 THR CA 1 1 15 THR C -179.99998 -60.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 2
8 . 1 1 15 THR C 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C -105.0 -44.999996 . 24 . C . 25 . N . 25 . CA . 25 . C 1 2
9 . 1 1 16 ALA C 1 1 17 ALA N 1 1 17 ALA CA 1 1 17 ALA C -89.99999 -30.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 2
10 . 1 1 17 ALA C 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU C -89.99999 -30.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 2
11 . 1 1 18 GLU C 1 1 19 ASP N 1 1 19 ASP CA 1 1 19 ASP C -150.0 -89.99999 . 27 . C . 28 . N . 28 . CA . 28 . C 1 2
12 . 1 1 19 ASP C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -89.99999 -30.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 2
13 . 1 1 21 PRO C 1 1 22 ARG N 1 1 22 ARG CA 1 1 22 ARG C -89.99999 -30.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 2
14 . 1 1 23 GLY C 1 1 24 VAL N 1 1 24 VAL CA 1 1 24 VAL C -160.0 -80.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 2
15 . 1 1 24 VAL C 1 1 25 ASP N 1 1 25 ASP CA 1 1 25 ASP C -160.0 -80.0 . 33 . C . 34 . N . 34 . CA . 34 . C 1 2
16 . 1 1 26 PRO C 1 1 27 SER N 1 1 27 SER CA 1 1 27 SER C -160.0 -80.0 . 35 . C . 36 . N . 36 . CA . 36 . C 1 2
17 . 1 1 27 SER C 1 1 28 ARG N 1 1 28 ARG CA 1 1 28 ARG C -150.0 -89.99999 . 36 . C . 37 . N . 37 . CA . 37 . C 1 2
18 . 1 1 29 LYS C 1 1 30 GLU N 1 1 30 GLU CA 1 1 30 GLU C -89.99999 -30.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 2
19 . 1 1 31 ASN C 1 1 32 HIS N 1 1 32 HIS CA 1 1 32 HIS C -150.0 -89.99999 . 40 . C . 41 . N . 41 . CA . 41 . C 1 2
20 . 1 1 32 HIS C 1 1 33 LEU N 1 1 33 LEU CA 1 1 33 LEU C -150.0 -89.99999 . 41 . C . 42 . N . 42 . CA . 42 . C 1 2
21 . 1 1 33 LEU C 1 1 34 SER N 1 1 34 SER CA 1 1 34 SER C -89.99999 -30.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 2
22 . 1 1 35 ASP C 1 1 36 GLU N 1 1 36 GLU CA 1 1 36 GLU C -89.99999 -30.0 . 44 . C . 45 . N . 45 . CA . 45 . C 1 2
23 . 1 1 37 ASP C 1 1 38 PHE N 1 1 38 PHE CA 1 1 38 PHE C -89.99999 -30.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 2
24 . 1 1 38 PHE C 1 1 39 LYS N 1 1 39 LYS CA 1 1 39 LYS C -89.99999 -30.0 . 47 . C . 48 . N . 48 . CA . 48 . C 1 2
25 . 1 1 39 LYS C 1 1 40 ALA N 1 1 40 ALA CA 1 1 40 ALA C -89.99999 -30.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 2
26 . 1 1 41 VAL C 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE C -160.0 -80.0 . 50 . C . 51 . N . 51 . CA . 51 . C 1 2
27 . 1 1 45 THR C 1 1 46 ARG N 1 1 46 ARG CA 1 1 46 ARG C -89.99999 -30.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 2
28 . 1 1 47 SER C 1 1 48 ALA N 1 1 48 ALA CA 1 1 48 ALA C -105.0 -44.999996 . 56 . C . 57 . N . 57 . CA . 57 . C 1 2
29 . 1 1 48 ALA C 1 1 49 PHE N 1 1 49 PHE CA 1 1 49 PHE C -89.99999 -30.0 . 57 . C . 58 . N . 58 . CA . 58 . C 1 2
30 . 1 1 49 PHE C 1 1 50 ALA N 1 1 50 ALA CA 1 1 50 ALA C -105.0 -44.999996 . 58 . C . 59 . N . 59 . CA . 59 . C 1 2
31 . 1 1 50 ALA C 1 1 51 ASN N 1 1 51 ASN CA 1 1 51 ASN C -150.0 -89.99999 . 59 . C . 60 . N . 60 . CA . 60 . C 1 2
32 . 1 1 54 LEU C 1 1 55 TRP N 1 1 55 TRP CA 1 1 55 TRP C -89.99999 -30.0 . 63 . C . 64 . N . 64 . CA . 64 . C 1 2
33 . 1 1 56 LYS C 1 1 57 GLN N 1 1 57 GLN CA 1 1 57 GLN C -89.99999 -30.0 . 65 . C . 66 . N . 66 . CA . 66 . C 1 2
34 . 1 1 57 GLN C 1 1 58 GLN N 1 1 58 GLN CA 1 1 58 GLN C -89.99999 -30.0 . 66 . C . 67 . N . 67 . CA . 67 . C 1 2
35 . 1 1 58 GLN C 1 1 59 ASN N 1 1 59 ASN CA 1 1 59 ASN C -89.99999 -30.0 . 67 . C . 68 . N . 68 . CA . 68 . C 1 2
36 . 1 1 59 ASN C 1 1 60 LEU N 1 1 60 LEU CA 1 1 60 LEU C -89.99999 -30.0 . 68 . C . 69 . N . 69 . CA . 69 . C 1 2
37 . 1 1 60 LEU C 1 1 61 LYS N 1 1 61 LYS CA 1 1 61 LYS C -89.99999 -30.0 . 69 . C . 70 . N . 70 . CA . 70 . C 1 2
38 . 1 1 61 LYS C 1 1 62 LYS N 1 1 62 LYS CA 1 1 62 LYS C -89.99999 -30.0 . 70 . C . 71 . N . 71 . CA . 71 . C 1 2
39 . 1 1 62 LYS C 1 1 63 GLU N 1 1 63 GLU CA 1 1 63 GLU C -89.99999 -30.0 . 71 . C . 72 . N . 72 . CA . 72 . C 1 2
40 . 1 1 63 GLU C 1 1 64 LYS N 1 1 64 LYS CA 1 1 64 LYS C -160.0 -80.0 . 72 . C . 73 . N . 73 . CA . 73 . C 1 2
41 . 1 1 65 GLY C 1 1 66 LEU N 1 1 66 LEU CA 1 1 66 LEU C -150.0 -89.99999 . 74 . C . 75 . N . 75 . CA . 75 . C 1 2
42 . 1 1 66 LEU C 1 1 67 PHE N 1 1 67 PHE CA 1 1 67 PHE C -160.0 -80.0 . 75 . C . 76 . N . 76 . CA . 76 . C 1 2
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 PRO C C 1.796 -3.658 19.940 1.00 . A A . 10 PRO C 1 1
1 2 1 1 1 PRO CA C 1.090 -4.485 21.022 1.00 . A A . 10 PRO CA 1 1
1 3 1 1 1 PRO CB C 1.448 -3.942 22.406 1.00 . A A . 10 PRO CB 1 1
1 4 1 1 1 PRO CD C 2.170 -6.287 22.254 1.00 . A A . 10 PRO CD 1 1
1 5 1 1 1 PRO CG C 2.122 -5.070 23.176 1.00 . A A . 10 PRO CG 1 1
1 6 1 1 1 PRO H2 H 2.228 -6.033 20.184 1.00 . A A . 10 PRO H2 1 1
1 7 1 1 1 PRO H3 H 0.713 -6.528 20.776 1.00 . A A . 10 PRO H3 1 1
1 8 1 1 1 PRO HA H 0.021 -4.432 20.880 1.00 . A A . 10 PRO HA 1 1
1 9 1 1 1 PRO HB2 H 2.126 -3.105 22.308 1.00 . A A . 10 PRO HB2 1 1
1 10 1 1 1 PRO HB3 H 0.553 -3.634 22.924 1.00 . A A . 10 PRO HB3 1 1
1 11 1 1 1 PRO HD2 H 3.197 -6.579 22.090 1.00 . A A . 10 PRO HD2 1 1
1 12 1 1 1 PRO HD3 H 1.626 -7.106 22.700 1.00 . A A . 10 PRO HD3 1 1
1 13 1 1 1 PRO HG2 H 3.125 -4.777 23.454 1.00 . A A . 10 PRO HG2 1 1
1 14 1 1 1 PRO HG3 H 1.549 -5.307 24.059 1.00 . A A . 10 PRO HG3 1 1
1 15 1 1 1 PRO N N 1.536 -5.915 20.952 1.00 . A A . 10 PRO N 1 1
1 16 1 1 1 PRO O O 3.004 -3.726 19.786 1.00 . A A . 10 PRO O 1 1
1 17 1 1 2 THR C C 2.248 -2.929 17.009 1.00 . A A . 11 THR C 1 1
1 18 1 1 2 THR CA C 1.645 -2.028 18.105 1.00 . A A . 11 THR CA 1 1
1 19 1 1 2 THR CB C 2.742 -1.112 18.691 1.00 . A A . 11 THR CB 1 1
1 20 1 1 2 THR CG2 C 2.833 0.177 17.868 1.00 . A A . 11 THR CG2 1 1
1 21 1 1 2 THR H H 0.077 -2.848 19.344 1.00 . A A . 11 THR H 1 1
1 22 1 1 2 THR HA H 0.869 -1.416 17.668 1.00 . A A . 11 THR HA 1 1
1 23 1 1 2 THR HB H 3.692 -1.621 18.654 1.00 . A A . 11 THR HB 1 1
1 24 1 1 2 THR HG1 H 1.586 -0.333 20.057 1.00 . A A . 11 THR HG1 1 1
1 25 1 1 2 THR HG21 H 3.622 0.082 17.137 1.00 . A A . 11 THR HG21 1 1
1 26 1 1 2 THR HG22 H 3.049 1.009 18.523 1.00 . A A . 11 THR HG22 1 1
1 27 1 1 2 THR HG23 H 1.894 0.351 17.364 1.00 . A A . 11 THR HG23 1 1
1 28 1 1 2 THR N N 1.044 -2.877 19.191 1.00 . A A . 11 THR N 1 1
1 29 1 1 2 THR O O 2.224 -4.144 17.110 1.00 . A A . 11 THR O 1 1
1 30 1 1 2 THR OG1 O 2.435 -0.783 20.043 1.00 . A A . 11 THR OG1 1 1
1 31 1 1 3 LYS C C 2.289 -3.764 13.984 1.00 . A A . 12 LYS C 1 1
1 32 1 1 3 LYS CA C 3.392 -3.120 14.838 1.00 . A A . 12 LYS CA 1 1
1 33 1 1 3 LYS CB C 4.318 -4.210 15.397 1.00 . A A . 12 LYS CB 1 1
1 34 1 1 3 LYS CD C 5.223 -5.920 13.811 1.00 . A A . 12 LYS CD 1 1
1 35 1 1 3 LYS CE C 6.053 -6.077 12.535 1.00 . A A . 12 LYS CE 1 1
1 36 1 1 3 LYS CG C 5.425 -4.515 14.383 1.00 . A A . 12 LYS CG 1 1
1 37 1 1 3 LYS H H 2.778 -1.354 15.910 1.00 . A A . 12 LYS H 1 1
1 38 1 1 3 LYS HA H 3.970 -2.451 14.216 1.00 . A A . 12 LYS HA 1 1
1 39 1 1 3 LYS HB2 H 4.762 -3.864 16.320 1.00 . A A . 12 LYS HB2 1 1
1 40 1 1 3 LYS HB3 H 3.748 -5.107 15.586 1.00 . A A . 12 LYS HB3 1 1
1 41 1 1 3 LYS HD2 H 5.538 -6.654 14.539 1.00 . A A . 12 LYS HD2 1 1
1 42 1 1 3 LYS HD3 H 4.179 -6.068 13.579 1.00 . A A . 12 LYS HD3 1 1
1 43 1 1 3 LYS HE2 H 5.845 -5.255 11.866 1.00 . A A . 12 LYS HE2 1 1
1 44 1 1 3 LYS HE3 H 7.103 -6.079 12.787 1.00 . A A . 12 LYS HE3 1 1
1 45 1 1 3 LYS HG2 H 5.389 -3.790 13.582 1.00 . A A . 12 LYS HG2 1 1
1 46 1 1 3 LYS HG3 H 6.385 -4.463 14.873 1.00 . A A . 12 LYS HG3 1 1
1 47 1 1 3 LYS HZ1 H 5.976 -8.159 12.474 1.00 . A A . 12 LYS HZ1 1 1
1 48 1 1 3 LYS HZ2 H 6.206 -7.431 10.959 1.00 . A A . 12 LYS HZ2 1 1
1 49 1 1 3 LYS HZ3 H 4.674 -7.393 11.694 1.00 . A A . 12 LYS HZ3 1 1
1 50 1 1 3 LYS N N 2.782 -2.332 15.961 1.00 . A A . 12 LYS N 1 1
1 51 1 1 3 LYS NZ N 5.701 -7.362 11.865 1.00 . A A . 12 LYS NZ 1 1
1 52 1 1 3 LYS O O 1.329 -4.312 14.497 1.00 . A A . 12 LYS O 1 1
1 53 1 1 4 LEU C C 1.897 -5.654 11.242 1.00 . A A . 13 LEU C 1 1
1 54 1 1 4 LEU CA C 1.404 -4.299 11.768 1.00 . A A . 13 LEU CA 1 1
1 55 1 1 4 LEU CB C 1.144 -3.354 10.585 1.00 . A A . 13 LEU CB 1 1
1 56 1 1 4 LEU CD1 C 2.347 -3.357 8.385 1.00 . A A . 13 LEU CD1 1 1
1 57 1 1 4 LEU CD2 C 2.765 -1.528 10.035 1.00 . A A . 13 LEU CD2 1 1
1 58 1 1 4 LEU CG C 2.463 -3.020 9.874 1.00 . A A . 13 LEU CG 1 1
1 59 1 1 4 LEU H H 3.216 -3.252 12.300 1.00 . A A . 13 LEU H 1 1
1 60 1 1 4 LEU HA H 0.484 -4.445 12.315 1.00 . A A . 13 LEU HA 1 1
1 61 1 1 4 LEU HB2 H 0.471 -3.832 9.888 1.00 . A A . 13 LEU HB2 1 1
1 62 1 1 4 LEU HB3 H 0.693 -2.443 10.948 1.00 . A A . 13 LEU HB3 1 1
1 63 1 1 4 LEU HD11 H 3.325 -3.599 7.994 1.00 . A A . 13 LEU HD11 1 1
1 64 1 1 4 LEU HD12 H 1.948 -2.506 7.852 1.00 . A A . 13 LEU HD12 1 1
1 65 1 1 4 LEU HD13 H 1.689 -4.204 8.257 1.00 . A A . 13 LEU HD13 1 1
1 66 1 1 4 LEU HD21 H 2.876 -1.294 11.084 1.00 . A A . 13 LEU HD21 1 1
1 67 1 1 4 LEU HD22 H 1.952 -0.949 9.621 1.00 . A A . 13 LEU HD22 1 1
1 68 1 1 4 LEU HD23 H 3.680 -1.287 9.514 1.00 . A A . 13 LEU HD23 1 1
1 69 1 1 4 LEU HG H 3.264 -3.600 10.309 1.00 . A A . 13 LEU HG 1 1
1 70 1 1 4 LEU N N 2.430 -3.699 12.680 1.00 . A A . 13 LEU N 1 1
1 71 1 1 4 LEU O O 3.076 -5.961 11.290 1.00 . A A . 13 LEU O 1 1
1 72 1 1 5 GLU C C 1.821 -7.643 8.724 1.00 . A A . 14 GLU C 1 1
1 73 1 1 5 GLU CA C 1.391 -7.798 10.191 1.00 . A A . 14 GLU CA 1 1
1 74 1 1 5 GLU CB C 0.197 -8.757 10.294 1.00 . A A . 14 GLU CB 1 1
1 75 1 1 5 GLU CD C -1.549 -8.254 12.026 1.00 . A A . 14 GLU CD 1 1
1 76 1 1 5 GLU CG C -0.198 -8.934 11.765 1.00 . A A . 14 GLU CG 1 1
1 77 1 1 5 GLU H H 0.059 -6.189 10.698 1.00 . A A . 14 GLU H 1 1
1 78 1 1 5 GLU HA H 2.217 -8.191 10.764 1.00 . A A . 14 GLU HA 1 1
1 79 1 1 5 GLU HB2 H -0.636 -8.350 9.743 1.00 . A A . 14 GLU HB2 1 1
1 80 1 1 5 GLU HB3 H 0.468 -9.716 9.880 1.00 . A A . 14 GLU HB3 1 1
1 81 1 1 5 GLU HG2 H -0.276 -9.988 11.990 1.00 . A A . 14 GLU HG2 1 1
1 82 1 1 5 GLU HG3 H 0.554 -8.487 12.398 1.00 . A A . 14 GLU HG3 1 1
1 83 1 1 5 GLU N N 0.998 -6.463 10.732 1.00 . A A . 14 GLU N 1 1
1 84 1 1 5 GLU O O 2.146 -6.557 8.277 1.00 . A A . 14 GLU O 1 1
1 85 1 1 5 GLU OE1 O -1.558 -7.048 12.218 1.00 . A A . 14 GLU OE1 1 1
1 86 1 1 5 GLU OE2 O -2.550 -8.952 12.030 1.00 . A A . 14 GLU OE2 1 1
1 87 1 1 6 THR C C 1.300 -9.446 5.655 1.00 . A A . 15 THR C 1 1
1 88 1 1 6 THR CA C 2.258 -8.638 6.544 1.00 . A A . 15 THR CA 1 1
1 89 1 1 6 THR CB C 3.691 -9.175 6.387 1.00 . A A . 15 THR CB 1 1
1 90 1 1 6 THR CG2 C 4.686 -8.155 6.950 1.00 . A A . 15 THR CG2 1 1
1 91 1 1 6 THR H H 1.580 -9.581 8.364 1.00 . A A . 15 THR H 1 1
1 92 1 1 6 THR HA H 2.235 -7.604 6.230 1.00 . A A . 15 THR HA 1 1
1 93 1 1 6 THR HB H 3.901 -9.330 5.340 1.00 . A A . 15 THR HB 1 1
1 94 1 1 6 THR HG1 H 3.861 -10.228 8.024 1.00 . A A . 15 THR HG1 1 1
1 95 1 1 6 THR HG21 H 5.694 -8.488 6.753 1.00 . A A . 15 THR HG21 1 1
1 96 1 1 6 THR HG22 H 4.540 -8.059 8.016 1.00 . A A . 15 THR HG22 1 1
1 97 1 1 6 THR HG23 H 4.525 -7.197 6.477 1.00 . A A . 15 THR HG23 1 1
1 98 1 1 6 THR N N 1.837 -8.720 7.978 1.00 . A A . 15 THR N 1 1
1 99 1 1 6 THR O O 1.425 -10.652 5.521 1.00 . A A . 15 THR O 1 1
1 100 1 1 6 THR OG1 O 3.827 -10.413 7.082 1.00 . A A . 15 THR OG1 1 1
1 101 1 1 7 PHE C C -0.334 -9.046 2.682 1.00 . A A . 16 PHE C 1 1
1 102 1 1 7 PHE CA C -0.611 -9.475 4.124 1.00 . A A . 16 PHE CA 1 1
1 103 1 1 7 PHE CB C -2.065 -9.086 4.448 1.00 . A A . 16 PHE CB 1 1
1 104 1 1 7 PHE CD1 C -1.783 -7.708 6.541 1.00 . A A . 16 PHE CD1 1 1
1 105 1 1 7 PHE CD2 C -2.990 -9.804 6.671 1.00 . A A . 16 PHE CD2 1 1
1 106 1 1 7 PHE CE1 C -2.003 -7.494 7.902 1.00 . A A . 16 PHE CE1 1 1
1 107 1 1 7 PHE CE2 C -3.210 -9.594 8.033 1.00 . A A . 16 PHE CE2 1 1
1 108 1 1 7 PHE CG C -2.275 -8.863 5.925 1.00 . A A . 16 PHE CG 1 1
1 109 1 1 7 PHE CZ C -2.718 -8.437 8.651 1.00 . A A . 16 PHE CZ 1 1
1 110 1 1 7 PHE H H 0.294 -7.805 5.155 1.00 . A A . 16 PHE H 1 1
1 111 1 1 7 PHE HA H -0.492 -10.546 4.208 1.00 . A A . 16 PHE HA 1 1
1 112 1 1 7 PHE HB2 H -2.311 -8.178 3.920 1.00 . A A . 16 PHE HB2 1 1
1 113 1 1 7 PHE HB3 H -2.723 -9.877 4.115 1.00 . A A . 16 PHE HB3 1 1
1 114 1 1 7 PHE HD1 H -1.232 -6.980 5.964 1.00 . A A . 16 PHE HD1 1 1
1 115 1 1 7 PHE HD2 H -3.369 -10.696 6.194 1.00 . A A . 16 PHE HD2 1 1
1 116 1 1 7 PHE HE1 H -1.621 -6.603 8.373 1.00 . A A . 16 PHE HE1 1 1
1 117 1 1 7 PHE HE2 H -3.767 -10.320 8.604 1.00 . A A . 16 PHE HE2 1 1
1 118 1 1 7 PHE HZ H -2.890 -8.273 9.704 1.00 . A A . 16 PHE HZ 1 1
1 119 1 1 7 PHE N N 0.357 -8.777 5.035 1.00 . A A . 16 PHE N 1 1
1 120 1 1 7 PHE O O 0.393 -8.097 2.444 1.00 . A A . 16 PHE O 1 1
1 121 1 1 8 PRO C C -1.702 -8.215 -0.012 1.00 . A A . 17 PRO C 1 1
1 122 1 1 8 PRO CA C -0.821 -9.426 0.327 1.00 . A A . 17 PRO CA 1 1
1 123 1 1 8 PRO CB C -1.317 -10.695 -0.368 1.00 . A A . 17 PRO CB 1 1
1 124 1 1 8 PRO CD C -1.830 -10.895 2.042 1.00 . A A . 17 PRO CD 1 1
1 125 1 1 8 PRO CG C -2.220 -11.427 0.651 1.00 . A A . 17 PRO CG 1 1
1 126 1 1 8 PRO HA H 0.206 -9.238 0.071 1.00 . A A . 17 PRO HA 1 1
1 127 1 1 8 PRO HB2 H -1.882 -10.438 -1.255 1.00 . A A . 17 PRO HB2 1 1
1 128 1 1 8 PRO HB3 H -0.480 -11.321 -0.623 1.00 . A A . 17 PRO HB3 1 1
1 129 1 1 8 PRO HD2 H -2.710 -10.582 2.583 1.00 . A A . 17 PRO HD2 1 1
1 130 1 1 8 PRO HD3 H -1.288 -11.646 2.597 1.00 . A A . 17 PRO HD3 1 1
1 131 1 1 8 PRO HG2 H -3.259 -11.211 0.445 1.00 . A A . 17 PRO HG2 1 1
1 132 1 1 8 PRO HG3 H -2.045 -12.490 0.605 1.00 . A A . 17 PRO HG3 1 1
1 133 1 1 8 PRO N N -0.952 -9.739 1.755 1.00 . A A . 17 PRO N 1 1
1 134 1 1 8 PRO O O -2.278 -7.594 0.865 1.00 . A A . 17 PRO O 1 1
1 135 1 1 9 LEU C C -4.121 -7.116 -1.831 1.00 . A A . 18 LEU C 1 1
1 136 1 1 9 LEU CA C -2.653 -6.696 -1.643 1.00 . A A . 18 LEU CA 1 1
1 137 1 1 9 LEU CB C -2.131 -6.061 -2.933 1.00 . A A . 18 LEU CB 1 1
1 138 1 1 9 LEU CD1 C -2.779 -6.513 -5.304 1.00 . A A . 18 LEU CD1 1 1
1 139 1 1 9 LEU CD2 C -0.660 -7.466 -4.384 1.00 . A A . 18 LEU CD2 1 1
1 140 1 1 9 LEU CG C -2.110 -7.098 -4.060 1.00 . A A . 18 LEU CG 1 1
1 141 1 1 9 LEU H H -1.340 -8.375 -1.956 1.00 . A A . 18 LEU H 1 1
1 142 1 1 9 LEU HA H -2.595 -5.972 -0.853 1.00 . A A . 18 LEU HA 1 1
1 143 1 1 9 LEU HB2 H -2.778 -5.240 -3.207 1.00 . A A . 18 LEU HB2 1 1
1 144 1 1 9 LEU HB3 H -1.132 -5.689 -2.767 1.00 . A A . 18 LEU HB3 1 1
1 145 1 1 9 LEU HD11 H -3.750 -6.122 -5.039 1.00 . A A . 18 LEU HD11 1 1
1 146 1 1 9 LEU HD12 H -2.894 -7.287 -6.049 1.00 . A A . 18 LEU HD12 1 1
1 147 1 1 9 LEU HD13 H -2.167 -5.717 -5.702 1.00 . A A . 18 LEU HD13 1 1
1 148 1 1 9 LEU HD21 H -0.293 -6.826 -5.172 1.00 . A A . 18 LEU HD21 1 1
1 149 1 1 9 LEU HD22 H -0.613 -8.496 -4.704 1.00 . A A . 18 LEU HD22 1 1
1 150 1 1 9 LEU HD23 H -0.051 -7.335 -3.501 1.00 . A A . 18 LEU HD23 1 1
1 151 1 1 9 LEU HG H -2.646 -7.983 -3.747 1.00 . A A . 18 LEU HG 1 1
1 152 1 1 9 LEU N N -1.811 -7.869 -1.267 1.00 . A A . 18 LEU N 1 1
1 153 1 1 9 LEU O O -4.984 -6.279 -1.997 1.00 . A A . 18 LEU O 1 1
1 154 1 1 10 ASP C C -6.594 -8.633 -0.673 1.00 . A A . 19 ASP C 1 1
1 155 1 1 10 ASP CA C -5.828 -8.844 -1.983 1.00 . A A . 19 ASP CA 1 1
1 156 1 1 10 ASP CB C -5.860 -10.327 -2.372 1.00 . A A . 19 ASP CB 1 1
1 157 1 1 10 ASP CG C -5.204 -10.515 -3.744 1.00 . A A . 19 ASP CG 1 1
1 158 1 1 10 ASP H H -3.714 -9.059 -1.670 1.00 . A A . 19 ASP H 1 1
1 159 1 1 10 ASP HA H -6.283 -8.255 -2.762 1.00 . A A . 19 ASP HA 1 1
1 160 1 1 10 ASP HB2 H -5.322 -10.903 -1.633 1.00 . A A . 19 ASP HB2 1 1
1 161 1 1 10 ASP HB3 H -6.884 -10.665 -2.415 1.00 . A A . 19 ASP HB3 1 1
1 162 1 1 10 ASP N N -4.416 -8.397 -1.806 1.00 . A A . 19 ASP N 1 1
1 163 1 1 10 ASP O O -7.668 -8.057 -0.662 1.00 . A A . 19 ASP O 1 1
1 164 1 1 10 ASP OD1 O -5.912 -10.431 -4.735 1.00 . A A . 19 ASP OD1 1 1
1 165 1 1 10 ASP OD2 O -4.004 -10.738 -3.781 1.00 . A A . 19 ASP OD2 1 1
1 166 1 1 11 VAL C C -6.916 -7.384 1.990 1.00 . A A . 20 VAL C 1 1
1 167 1 1 11 VAL CA C -6.697 -8.886 1.764 1.00 . A A . 20 VAL CA 1 1
1 168 1 1 11 VAL CB C -5.783 -9.432 2.876 1.00 . A A . 20 VAL CB 1 1
1 169 1 1 11 VAL CG1 C -6.555 -9.526 4.197 1.00 . A A . 20 VAL CG1 1 1
1 170 1 1 11 VAL CG2 C -5.270 -10.823 2.495 1.00 . A A . 20 VAL CG2 1 1
1 171 1 1 11 VAL H H -5.158 -9.517 0.384 1.00 . A A . 20 VAL H 1 1
1 172 1 1 11 VAL HA H -7.646 -9.403 1.779 1.00 . A A . 20 VAL HA 1 1
1 173 1 1 11 VAL HB H -4.943 -8.765 3.002 1.00 . A A . 20 VAL HB 1 1
1 174 1 1 11 VAL HG11 H -7.301 -10.304 4.125 1.00 . A A . 20 VAL HG11 1 1
1 175 1 1 11 VAL HG12 H -7.038 -8.582 4.401 1.00 . A A . 20 VAL HG12 1 1
1 176 1 1 11 VAL HG13 H -5.868 -9.760 5.002 1.00 . A A . 20 VAL HG13 1 1
1 177 1 1 11 VAL HG21 H -4.431 -10.721 1.824 1.00 . A A . 20 VAL HG21 1 1
1 178 1 1 11 VAL HG22 H -6.058 -11.377 2.008 1.00 . A A . 20 VAL HG22 1 1
1 179 1 1 11 VAL HG23 H -4.956 -11.347 3.386 1.00 . A A . 20 VAL HG23 1 1
1 180 1 1 11 VAL N N -6.032 -9.075 0.431 1.00 . A A . 20 VAL N 1 1
1 181 1 1 11 VAL O O -7.881 -6.966 2.600 1.00 . A A . 20 VAL O 1 1
1 182 1 1 12 LEU C C -6.832 -4.469 0.550 1.00 . A A . 21 LEU C 1 1
1 183 1 1 12 LEU CA C -6.044 -5.123 1.685 1.00 . A A . 21 LEU CA 1 1
1 184 1 1 12 LEU CB C -4.608 -4.624 1.591 1.00 . A A . 21 LEU CB 1 1
1 185 1 1 12 LEU CD1 C -4.009 -6.431 3.244 1.00 . A A . 21 LEU CD1 1 1
1 186 1 1 12 LEU CD2 C -2.352 -4.680 2.610 1.00 . A A . 21 LEU CD2 1 1
1 187 1 1 12 LEU CG C -3.832 -4.964 2.848 1.00 . A A . 21 LEU CG 1 1
1 188 1 1 12 LEU H H -5.213 -6.962 1.069 1.00 . A A . 21 LEU H 1 1
1 189 1 1 12 LEU HA H -6.463 -4.862 2.643 1.00 . A A . 21 LEU HA 1 1
1 190 1 1 12 LEU HB2 H -4.126 -5.094 0.752 1.00 . A A . 21 LEU HB2 1 1
1 191 1 1 12 LEU HB3 H -4.618 -3.555 1.445 1.00 . A A . 21 LEU HB3 1 1
1 192 1 1 12 LEU HD11 H -5.030 -6.597 3.552 1.00 . A A . 21 LEU HD11 1 1
1 193 1 1 12 LEU HD12 H -3.347 -6.662 4.064 1.00 . A A . 21 LEU HD12 1 1
1 194 1 1 12 LEU HD13 H -3.778 -7.065 2.402 1.00 . A A . 21 LEU HD13 1 1
1 195 1 1 12 LEU HD21 H -1.756 -5.315 3.250 1.00 . A A . 21 LEU HD21 1 1
1 196 1 1 12 LEU HD22 H -2.143 -3.645 2.831 1.00 . A A . 21 LEU HD22 1 1
1 197 1 1 12 LEU HD23 H -2.113 -4.885 1.575 1.00 . A A . 21 LEU HD23 1 1
1 198 1 1 12 LEU HG H -4.196 -4.360 3.623 1.00 . A A . 21 LEU HG 1 1
1 199 1 1 12 LEU N N -5.990 -6.587 1.517 1.00 . A A . 21 LEU N 1 1
1 200 1 1 12 LEU O O -7.973 -4.074 0.710 1.00 . A A . 21 LEU O 1 1
1 201 1 1 13 VAL C C -8.063 -4.443 -2.220 1.00 . A A . 22 VAL C 1 1
1 202 1 1 13 VAL CA C -6.824 -3.666 -1.758 1.00 . A A . 22 VAL CA 1 1
1 203 1 1 13 VAL CB C -5.808 -3.602 -2.895 1.00 . A A . 22 VAL CB 1 1
1 204 1 1 13 VAL CG1 C -6.419 -2.890 -4.106 1.00 . A A . 22 VAL CG1 1 1
1 205 1 1 13 VAL CG2 C -4.561 -2.847 -2.431 1.00 . A A . 22 VAL CG2 1 1
1 206 1 1 13 VAL H H -5.265 -4.634 -0.651 1.00 . A A . 22 VAL H 1 1
1 207 1 1 13 VAL HA H -7.102 -2.669 -1.486 1.00 . A A . 22 VAL HA 1 1
1 208 1 1 13 VAL HB H -5.535 -4.603 -3.163 1.00 . A A . 22 VAL HB 1 1
1 209 1 1 13 VAL HG11 H -6.527 -3.592 -4.919 1.00 . A A . 22 VAL HG11 1 1
1 210 1 1 13 VAL HG12 H -5.773 -2.080 -4.412 1.00 . A A . 22 VAL HG12 1 1
1 211 1 1 13 VAL HG13 H -7.389 -2.495 -3.841 1.00 . A A . 22 VAL HG13 1 1
1 212 1 1 13 VAL HG21 H -4.094 -2.368 -3.277 1.00 . A A . 22 VAL HG21 1 1
1 213 1 1 13 VAL HG22 H -3.868 -3.545 -1.984 1.00 . A A . 22 VAL HG22 1 1
1 214 1 1 13 VAL HG23 H -4.841 -2.101 -1.702 1.00 . A A . 22 VAL HG23 1 1
1 215 1 1 13 VAL N N -6.192 -4.325 -0.584 1.00 . A A . 22 VAL N 1 1
1 216 1 1 13 VAL O O -7.974 -5.589 -2.624 1.00 . A A . 22 VAL O 1 1
1 217 1 1 14 ASN C C -11.666 -3.550 -2.274 1.00 . A A . 23 ASN C 1 1
1 218 1 1 14 ASN CA C -10.487 -4.462 -2.616 1.00 . A A . 23 ASN CA 1 1
1 219 1 1 14 ASN CB C -10.669 -5.815 -1.916 1.00 . A A . 23 ASN CB 1 1
1 220 1 1 14 ASN CG C -10.786 -6.927 -2.962 1.00 . A A . 23 ASN CG 1 1
1 221 1 1 14 ASN H H -9.235 -2.881 -1.853 1.00 . A A . 23 ASN H 1 1
1 222 1 1 14 ASN HA H -10.457 -4.607 -3.676 1.00 . A A . 23 ASN HA 1 1
1 223 1 1 14 ASN HB2 H -9.819 -6.008 -1.279 1.00 . A A . 23 ASN HB2 1 1
1 224 1 1 14 ASN HB3 H -11.567 -5.792 -1.320 1.00 . A A . 23 ASN HB3 1 1
1 225 1 1 14 ASN HD21 H -8.985 -7.676 -2.582 1.00 . A A . 23 ASN HD21 1 1
1 226 1 1 14 ASN HD22 H -9.863 -8.477 -3.794 1.00 . A A . 23 ASN HD22 1 1
1 227 1 1 14 ASN N N -9.213 -3.807 -2.173 1.00 . A A . 23 ASN N 1 1
1 228 1 1 14 ASN ND2 N -9.796 -7.763 -3.126 1.00 . A A . 23 ASN ND2 1 1
1 229 1 1 14 ASN O O -12.540 -3.314 -3.088 1.00 . A A . 23 ASN O 1 1
1 230 1 1 14 ASN OD1 O -11.791 -7.039 -3.637 1.00 . A A . 23 ASN OD1 1 1
1 231 1 1 15 THR C C -12.195 -1.030 0.285 1.00 . A A . 24 THR C 1 1
1 232 1 1 15 THR CA C -12.783 -2.122 -0.638 1.00 . A A . 24 THR CA 1 1
1 233 1 1 15 THR CB C -13.877 -2.931 0.091 1.00 . A A . 24 THR CB 1 1
1 234 1 1 15 THR CG2 C -15.226 -2.224 -0.065 1.00 . A A . 24 THR CG2 1 1
1 235 1 1 15 THR H H -10.953 -3.251 -0.459 1.00 . A A . 24 THR H 1 1
1 236 1 1 15 THR HA H -13.212 -1.648 -1.510 1.00 . A A . 24 THR HA 1 1
1 237 1 1 15 THR HB H -13.635 -3.002 1.139 1.00 . A A . 24 THR HB 1 1
1 238 1 1 15 THR HG1 H -13.916 -4.871 0.256 1.00 . A A . 24 THR HG1 1 1
1 239 1 1 15 THR HG21 H -15.895 -2.550 0.717 1.00 . A A . 24 THR HG21 1 1
1 240 1 1 15 THR HG22 H -15.651 -2.468 -1.028 1.00 . A A . 24 THR HG22 1 1
1 241 1 1 15 THR HG23 H -15.084 -1.156 0.005 1.00 . A A . 24 THR HG23 1 1
1 242 1 1 15 THR N N -11.680 -3.036 -1.074 1.00 . A A . 24 THR N 1 1
1 243 1 1 15 THR O O -11.178 -0.438 -0.035 1.00 . A A . 24 THR O 1 1
1 244 1 1 15 THR OG1 O -13.967 -4.238 -0.464 1.00 . A A . 24 THR OG1 1 1
1 245 1 1 16 ALA C C -11.621 -0.329 3.549 1.00 . A A . 25 ALA C 1 1
1 246 1 1 16 ALA CA C -12.294 0.308 2.328 1.00 . A A . 25 ALA CA 1 1
1 247 1 1 16 ALA CB C -13.456 1.201 2.777 1.00 . A A . 25 ALA CB 1 1
1 248 1 1 16 ALA H H -13.633 -1.218 1.652 1.00 . A A . 25 ALA H 1 1
1 249 1 1 16 ALA HA H -11.576 0.896 1.808 1.00 . A A . 25 ALA HA 1 1
1 250 1 1 16 ALA HB1 H -14.128 1.361 1.947 1.00 . A A . 25 ALA HB1 1 1
1 251 1 1 16 ALA HB2 H -13.070 2.151 3.116 1.00 . A A . 25 ALA HB2 1 1
1 252 1 1 16 ALA HB3 H -13.989 0.720 3.584 1.00 . A A . 25 ALA HB3 1 1
1 253 1 1 16 ALA N N -12.819 -0.747 1.412 1.00 . A A . 25 ALA N 1 1
1 254 1 1 16 ALA O O -11.208 -1.474 3.511 1.00 . A A . 25 ALA O 1 1
1 255 1 1 17 ALA C C -11.567 -1.437 6.273 1.00 . A A . 26 ALA C 1 1
1 256 1 1 17 ALA CA C -10.872 -0.128 5.872 1.00 . A A . 26 ALA CA 1 1
1 257 1 1 17 ALA CB C -11.010 0.893 7.005 1.00 . A A . 26 ALA CB 1 1
1 258 1 1 17 ALA H H -11.847 1.333 4.623 1.00 . A A . 26 ALA H 1 1
1 259 1 1 17 ALA HA H -9.828 -0.318 5.686 1.00 . A A . 26 ALA HA 1 1
1 260 1 1 17 ALA HB1 H -12.056 1.086 7.190 1.00 . A A . 26 ALA HB1 1 1
1 261 1 1 17 ALA HB2 H -10.519 1.812 6.722 1.00 . A A . 26 ALA HB2 1 1
1 262 1 1 17 ALA HB3 H -10.552 0.501 7.901 1.00 . A A . 26 ALA HB3 1 1
1 263 1 1 17 ALA N N -11.508 0.414 4.630 1.00 . A A . 26 ALA N 1 1
1 264 1 1 17 ALA O O -10.968 -2.305 6.883 1.00 . A A . 26 ALA O 1 1
1 265 1 1 18 GLU C C -13.022 -4.021 5.457 1.00 . A A . 27 GLU C 1 1
1 266 1 1 18 GLU CA C -13.581 -2.828 6.252 1.00 . A A . 27 GLU CA 1 1
1 267 1 1 18 GLU CB C -15.066 -2.639 5.909 1.00 . A A . 27 GLU CB 1 1
1 268 1 1 18 GLU CD C -15.748 -3.496 3.645 1.00 . A A . 27 GLU CD 1 1
1 269 1 1 18 GLU CG C -15.225 -2.282 4.422 1.00 . A A . 27 GLU CG 1 1
1 270 1 1 18 GLU H H -13.275 -0.869 5.422 1.00 . A A . 27 GLU H 1 1
1 271 1 1 18 GLU HA H -13.484 -3.025 7.307 1.00 . A A . 27 GLU HA 1 1
1 272 1 1 18 GLU HB2 H -15.600 -3.555 6.117 1.00 . A A . 27 GLU HB2 1 1
1 273 1 1 18 GLU HB3 H -15.474 -1.842 6.512 1.00 . A A . 27 GLU HB3 1 1
1 274 1 1 18 GLU HG2 H -15.923 -1.463 4.324 1.00 . A A . 27 GLU HG2 1 1
1 275 1 1 18 GLU HG3 H -14.268 -1.985 4.019 1.00 . A A . 27 GLU HG3 1 1
1 276 1 1 18 GLU N N -12.827 -1.582 5.919 1.00 . A A . 27 GLU N 1 1
1 277 1 1 18 GLU O O -13.273 -5.163 5.797 1.00 . A A . 27 GLU O 1 1
1 278 1 1 18 GLU OE1 O -16.942 -3.744 3.704 1.00 . A A . 27 GLU OE1 1 1
1 279 1 1 18 GLU OE2 O -14.948 -4.154 3.000 1.00 . A A . 27 GLU OE2 1 1
1 280 1 1 19 ASP C C -10.359 -5.326 4.136 1.00 . A A . 28 ASP C 1 1
1 281 1 1 19 ASP CA C -11.720 -4.891 3.585 1.00 . A A . 28 ASP CA 1 1
1 282 1 1 19 ASP CB C -11.543 -4.435 2.137 1.00 . A A . 28 ASP CB 1 1
1 283 1 1 19 ASP CG C -11.278 -5.655 1.251 1.00 . A A . 28 ASP CG 1 1
1 284 1 1 19 ASP H H -12.094 -2.837 4.134 1.00 . A A . 28 ASP H 1 1
1 285 1 1 19 ASP HA H -12.402 -5.727 3.614 1.00 . A A . 28 ASP HA 1 1
1 286 1 1 19 ASP HB2 H -12.440 -3.935 1.807 1.00 . A A . 28 ASP HB2 1 1
1 287 1 1 19 ASP HB3 H -10.706 -3.754 2.073 1.00 . A A . 28 ASP HB3 1 1
1 288 1 1 19 ASP N N -12.277 -3.768 4.399 1.00 . A A . 28 ASP N 1 1
1 289 1 1 19 ASP O O -10.098 -6.507 4.276 1.00 . A A . 28 ASP O 1 1
1 290 1 1 19 ASP OD1 O -12.240 -6.265 0.813 1.00 . A A . 28 ASP OD1 1 1
1 291 1 1 19 ASP OD2 O -10.118 -5.963 1.033 1.00 . A A . 28 ASP OD2 1 1
1 292 1 1 20 LEU C C -8.307 -5.606 6.241 1.00 . A A . 29 LEU C 1 1
1 293 1 1 20 LEU CA C -8.149 -4.736 4.979 1.00 . A A . 29 LEU CA 1 1
1 294 1 1 20 LEU CB C -7.404 -3.451 5.332 1.00 . A A . 29 LEU CB 1 1
1 295 1 1 20 LEU CD1 C -7.764 -1.066 4.677 1.00 . A A . 29 LEU CD1 1 1
1 296 1 1 20 LEU CD2 C -6.097 -2.452 3.445 1.00 . A A . 29 LEU CD2 1 1
1 297 1 1 20 LEU CG C -7.452 -2.467 4.156 1.00 . A A . 29 LEU CG 1 1
1 298 1 1 20 LEU H H -9.724 -3.447 4.319 1.00 . A A . 29 LEU H 1 1
1 299 1 1 20 LEU HA H -7.589 -5.277 4.226 1.00 . A A . 29 LEU HA 1 1
1 300 1 1 20 LEU HB2 H -7.859 -3.001 6.200 1.00 . A A . 29 LEU HB2 1 1
1 301 1 1 20 LEU HB3 H -6.386 -3.691 5.548 1.00 . A A . 29 LEU HB3 1 1
1 302 1 1 20 LEU HD11 H -7.950 -1.111 5.740 1.00 . A A . 29 LEU HD11 1 1
1 303 1 1 20 LEU HD12 H -8.640 -0.684 4.173 1.00 . A A . 29 LEU HD12 1 1
1 304 1 1 20 LEU HD13 H -6.925 -0.414 4.486 1.00 . A A . 29 LEU HD13 1 1
1 305 1 1 20 LEU HD21 H -6.249 -2.314 2.385 1.00 . A A . 29 LEU HD21 1 1
1 306 1 1 20 LEU HD22 H -5.593 -3.389 3.617 1.00 . A A . 29 LEU HD22 1 1
1 307 1 1 20 LEU HD23 H -5.495 -1.643 3.831 1.00 . A A . 29 LEU HD23 1 1
1 308 1 1 20 LEU HG H -8.220 -2.770 3.460 1.00 . A A . 29 LEU HG 1 1
1 309 1 1 20 LEU N N -9.493 -4.387 4.443 1.00 . A A . 29 LEU N 1 1
1 310 1 1 20 LEU O O -9.320 -5.538 6.917 1.00 . A A . 29 LEU O 1 1
1 311 1 1 21 PRO C C -7.039 -6.559 8.993 1.00 . A A . 30 PRO C 1 1
1 312 1 1 21 PRO CA C -7.293 -7.318 7.679 1.00 . A A . 30 PRO CA 1 1
1 313 1 1 21 PRO CB C -6.142 -8.278 7.370 1.00 . A A . 30 PRO CB 1 1
1 314 1 1 21 PRO CD C -6.079 -6.467 5.690 1.00 . A A . 30 PRO CD 1 1
1 315 1 1 21 PRO CG C -5.218 -7.544 6.372 1.00 . A A . 30 PRO CG 1 1
1 316 1 1 21 PRO HA H -8.219 -7.867 7.734 1.00 . A A . 30 PRO HA 1 1
1 317 1 1 21 PRO HB2 H -5.601 -8.514 8.278 1.00 . A A . 30 PRO HB2 1 1
1 318 1 1 21 PRO HB3 H -6.522 -9.181 6.916 1.00 . A A . 30 PRO HB3 1 1
1 319 1 1 21 PRO HD2 H -5.567 -5.515 5.694 1.00 . A A . 30 PRO HD2 1 1
1 320 1 1 21 PRO HD3 H -6.326 -6.762 4.683 1.00 . A A . 30 PRO HD3 1 1
1 321 1 1 21 PRO HG2 H -4.395 -7.084 6.901 1.00 . A A . 30 PRO HG2 1 1
1 322 1 1 21 PRO HG3 H -4.846 -8.234 5.632 1.00 . A A . 30 PRO HG3 1 1
1 323 1 1 21 PRO N N -7.302 -6.404 6.514 1.00 . A A . 30 PRO N 1 1
1 324 1 1 21 PRO O O -6.945 -5.343 9.016 1.00 . A A . 30 PRO O 1 1
1 325 1 1 22 ARG C C -5.306 -6.007 11.452 1.00 . A A . 31 ARG C 1 1
1 326 1 1 22 ARG CA C -6.696 -6.639 11.416 1.00 . A A . 31 ARG CA 1 1
1 327 1 1 22 ARG CB C -6.807 -7.692 12.524 1.00 . A A . 31 ARG CB 1 1
1 328 1 1 22 ARG CD C -8.217 -8.022 14.564 1.00 . A A . 31 ARG CD 1 1
1 329 1 1 22 ARG CG C -8.240 -7.723 13.063 1.00 . A A . 31 ARG CG 1 1
1 330 1 1 22 ARG CZ C -7.016 -6.128 15.491 1.00 . A A . 31 ARG CZ 1 1
1 331 1 1 22 ARG H H -7.022 -8.258 10.030 1.00 . A A . 31 ARG H 1 1
1 332 1 1 22 ARG HA H -7.430 -5.867 11.582 1.00 . A A . 31 ARG HA 1 1
1 333 1 1 22 ARG HB2 H -6.550 -8.662 12.125 1.00 . A A . 31 ARG HB2 1 1
1 334 1 1 22 ARG HB3 H -6.128 -7.443 13.326 1.00 . A A . 31 ARG HB3 1 1
1 335 1 1 22 ARG HD2 H -9.113 -8.562 14.836 1.00 . A A . 31 ARG HD2 1 1
1 336 1 1 22 ARG HD3 H -7.351 -8.623 14.799 1.00 . A A . 31 ARG HD3 1 1
1 337 1 1 22 ARG HE H -8.977 -6.362 15.710 1.00 . A A . 31 ARG HE 1 1
1 338 1 1 22 ARG HG2 H -8.710 -6.764 12.893 1.00 . A A . 31 ARG HG2 1 1
1 339 1 1 22 ARG HG3 H -8.799 -8.493 12.553 1.00 . A A . 31 ARG HG3 1 1
1 340 1 1 22 ARG HH11 H -6.429 -7.292 17.014 1.00 . A A . 31 ARG HH11 1 1
1 341 1 1 22 ARG HH12 H -5.314 -6.052 16.549 1.00 . A A . 31 ARG HH12 1 1
1 342 1 1 22 ARG HH21 H -7.335 -4.820 14.005 1.00 . A A . 31 ARG HH21 1 1
1 343 1 1 22 ARG HH22 H -5.827 -4.649 14.840 1.00 . A A . 31 ARG HH22 1 1
1 344 1 1 22 ARG N N -6.936 -7.282 10.086 1.00 . A A . 31 ARG N 1 1
1 345 1 1 22 ARG NE N -8.158 -6.743 15.329 1.00 . A A . 31 ARG NE 1 1
1 346 1 1 22 ARG NH1 N -6.188 -6.521 16.424 1.00 . A A . 31 ARG NH1 1 1
1 347 1 1 22 ARG NH2 N -6.702 -5.120 14.719 1.00 . A A . 31 ARG NH2 1 1
1 348 1 1 22 ARG O O -4.318 -6.622 11.089 1.00 . A A . 31 ARG O 1 1
1 349 1 1 23 GLY C C -3.552 -3.517 10.599 1.00 . A A . 32 GLY C 1 1
1 350 1 1 23 GLY CA C -3.928 -4.072 11.975 1.00 . A A . 32 GLY CA 1 1
1 351 1 1 23 GLY H H -6.052 -4.316 12.180 1.00 . A A . 32 GLY H 1 1
1 352 1 1 23 GLY HA2 H -4.007 -3.262 12.683 1.00 . A A . 32 GLY HA2 1 1
1 353 1 1 23 GLY HA3 H -3.171 -4.765 12.301 1.00 . A A . 32 GLY HA3 1 1
1 354 1 1 23 GLY N N -5.236 -4.777 11.895 1.00 . A A . 32 GLY N 1 1
1 355 1 1 23 GLY O O -2.436 -3.687 10.142 1.00 . A A . 32 GLY O 1 1
1 356 1 1 24 VAL C C -4.841 -0.901 8.461 1.00 . A A . 33 VAL C 1 1
1 357 1 1 24 VAL CA C -4.180 -2.277 8.592 1.00 . A A . 33 VAL CA 1 1
1 358 1 1 24 VAL CB C -4.714 -3.206 7.496 1.00 . A A . 33 VAL CB 1 1
1 359 1 1 24 VAL CG1 C -4.386 -2.615 6.122 1.00 . A A . 33 VAL CG1 1 1
1 360 1 1 24 VAL CG2 C -4.058 -4.582 7.619 1.00 . A A . 33 VAL CG2 1 1
1 361 1 1 24 VAL H H -5.363 -2.729 10.334 1.00 . A A . 33 VAL H 1 1
1 362 1 1 24 VAL HA H -3.113 -2.170 8.478 1.00 . A A . 33 VAL HA 1 1
1 363 1 1 24 VAL HB H -5.786 -3.304 7.598 1.00 . A A . 33 VAL HB 1 1
1 364 1 1 24 VAL HG11 H -5.116 -1.860 5.871 1.00 . A A . 33 VAL HG11 1 1
1 365 1 1 24 VAL HG12 H -4.407 -3.398 5.379 1.00 . A A . 33 VAL HG12 1 1
1 366 1 1 24 VAL HG13 H -3.403 -2.170 6.147 1.00 . A A . 33 VAL HG13 1 1
1 367 1 1 24 VAL HG21 H -4.601 -5.176 8.338 1.00 . A A . 33 VAL HG21 1 1
1 368 1 1 24 VAL HG22 H -3.035 -4.466 7.945 1.00 . A A . 33 VAL HG22 1 1
1 369 1 1 24 VAL HG23 H -4.075 -5.074 6.658 1.00 . A A . 33 VAL HG23 1 1
1 370 1 1 24 VAL N N -4.474 -2.852 9.939 1.00 . A A . 33 VAL N 1 1
1 371 1 1 24 VAL O O -5.978 -0.705 8.857 1.00 . A A . 33 VAL O 1 1
1 372 1 1 25 ASP C C -5.028 1.647 6.240 1.00 . A A . 34 ASP C 1 1
1 373 1 1 25 ASP CA C -4.694 1.419 7.722 1.00 . A A . 34 ASP CA 1 1
1 374 1 1 25 ASP CB C -3.661 2.458 8.177 1.00 . A A . 34 ASP CB 1 1
1 375 1 1 25 ASP CG C -3.234 2.169 9.621 1.00 . A A . 34 ASP CG 1 1
1 376 1 1 25 ASP H H -3.224 -0.149 7.589 1.00 . A A . 34 ASP H 1 1
1 377 1 1 25 ASP HA H -5.591 1.520 8.315 1.00 . A A . 34 ASP HA 1 1
1 378 1 1 25 ASP HB2 H -2.796 2.411 7.530 1.00 . A A . 34 ASP HB2 1 1
1 379 1 1 25 ASP HB3 H -4.096 3.445 8.123 1.00 . A A . 34 ASP HB3 1 1
1 380 1 1 25 ASP N N -4.132 0.046 7.899 1.00 . A A . 34 ASP N 1 1
1 381 1 1 25 ASP O O -4.326 1.164 5.369 1.00 . A A . 34 ASP O 1 1
1 382 1 1 25 ASP OD1 O -3.915 2.629 10.524 1.00 . A A . 34 ASP OD1 1 1
1 383 1 1 25 ASP OD2 O -2.233 1.493 9.799 1.00 . A A . 34 ASP OD2 1 1
1 384 1 1 26 PRO C C -5.662 3.792 3.996 1.00 . A A . 35 PRO C 1 1
1 385 1 1 26 PRO CA C -6.548 2.706 4.631 1.00 . A A . 35 PRO CA 1 1
1 386 1 1 26 PRO CB C -7.980 3.209 4.838 1.00 . A A . 35 PRO CB 1 1
1 387 1 1 26 PRO CD C -6.931 2.970 7.067 1.00 . A A . 35 PRO CD 1 1
1 388 1 1 26 PRO CG C -8.070 3.677 6.309 1.00 . A A . 35 PRO CG 1 1
1 389 1 1 26 PRO HA H -6.557 1.820 4.018 1.00 . A A . 35 PRO HA 1 1
1 390 1 1 26 PRO HB2 H -8.182 4.035 4.168 1.00 . A A . 35 PRO HB2 1 1
1 391 1 1 26 PRO HB3 H -8.683 2.409 4.667 1.00 . A A . 35 PRO HB3 1 1
1 392 1 1 26 PRO HD2 H -6.366 3.685 7.649 1.00 . A A . 35 PRO HD2 1 1
1 393 1 1 26 PRO HD3 H -7.325 2.190 7.700 1.00 . A A . 35 PRO HD3 1 1
1 394 1 1 26 PRO HG2 H -7.947 4.750 6.363 1.00 . A A . 35 PRO HG2 1 1
1 395 1 1 26 PRO HG3 H -9.021 3.390 6.730 1.00 . A A . 35 PRO HG3 1 1
1 396 1 1 26 PRO N N -6.090 2.385 5.999 1.00 . A A . 35 PRO N 1 1
1 397 1 1 26 PRO O O -5.553 3.876 2.786 1.00 . A A . 35 PRO O 1 1
1 398 1 1 27 SER C C -2.788 5.073 3.862 1.00 . A A . 36 SER C 1 1
1 399 1 1 27 SER CA C -4.141 5.685 4.246 1.00 . A A . 36 SER CA 1 1
1 400 1 1 27 SER CB C -3.933 6.778 5.300 1.00 . A A . 36 SER CB 1 1
1 401 1 1 27 SER H H -5.124 4.524 5.771 1.00 . A A . 36 SER H 1 1
1 402 1 1 27 SER HA H -4.603 6.114 3.369 1.00 . A A . 36 SER HA 1 1
1 403 1 1 27 SER HB2 H -4.870 6.994 5.787 1.00 . A A . 36 SER HB2 1 1
1 404 1 1 27 SER HB3 H -3.216 6.434 6.036 1.00 . A A . 36 SER HB3 1 1
1 405 1 1 27 SER HG H -2.500 7.991 4.782 1.00 . A A . 36 SER HG 1 1
1 406 1 1 27 SER N N -5.025 4.615 4.801 1.00 . A A . 36 SER N 1 1
1 407 1 1 27 SER O O -2.346 5.193 2.733 1.00 . A A . 36 SER O 1 1
1 408 1 1 27 SER OG O -3.453 7.958 4.666 1.00 . A A . 36 SER OG 1 1
1 409 1 1 28 ARG C C -1.026 2.280 4.220 1.00 . A A . 37 ARG C 1 1
1 410 1 1 28 ARG CA C -0.817 3.777 4.489 1.00 . A A . 37 ARG CA 1 1
1 411 1 1 28 ARG CB C 0.131 3.971 5.680 1.00 . A A . 37 ARG CB 1 1
1 412 1 1 28 ARG CD C 1.969 5.442 6.520 1.00 . A A . 37 ARG CD 1 1
1 413 1 1 28 ARG CG C 0.718 5.384 5.642 1.00 . A A . 37 ARG CG 1 1
1 414 1 1 28 ARG CZ C 2.077 7.596 7.631 1.00 . A A . 37 ARG CZ 1 1
1 415 1 1 28 ARG H H -2.522 4.324 5.689 1.00 . A A . 37 ARG H 1 1
1 416 1 1 28 ARG HA H -0.391 4.240 3.612 1.00 . A A . 37 ARG HA 1 1
1 417 1 1 28 ARG HB2 H -0.415 3.831 6.601 1.00 . A A . 37 ARG HB2 1 1
1 418 1 1 28 ARG HB3 H 0.933 3.250 5.623 1.00 . A A . 37 ARG HB3 1 1
1 419 1 1 28 ARG HD2 H 1.735 5.070 7.507 1.00 . A A . 37 ARG HD2 1 1
1 420 1 1 28 ARG HD3 H 2.746 4.833 6.081 1.00 . A A . 37 ARG HD3 1 1
1 421 1 1 28 ARG HE H 3.024 7.224 5.925 1.00 . A A . 37 ARG HE 1 1
1 422 1 1 28 ARG HG2 H 0.979 5.638 4.625 1.00 . A A . 37 ARG HG2 1 1
1 423 1 1 28 ARG HG3 H -0.013 6.087 6.013 1.00 . A A . 37 ARG HG3 1 1
1 424 1 1 28 ARG HH11 H 0.428 8.289 6.725 1.00 . A A . 37 ARG HH11 1 1
1 425 1 1 28 ARG HH12 H 0.704 8.880 8.330 1.00 . A A . 37 ARG HH12 1 1
1 426 1 1 28 ARG HH21 H 3.642 7.078 8.773 1.00 . A A . 37 ARG HH21 1 1
1 427 1 1 28 ARG HH22 H 2.529 8.193 9.492 1.00 . A A . 37 ARG HH22 1 1
1 428 1 1 28 ARG N N -2.137 4.410 4.791 1.00 . A A . 37 ARG N 1 1
1 429 1 1 28 ARG NE N 2.441 6.853 6.619 1.00 . A A . 37 ARG NE 1 1
1 430 1 1 28 ARG NH1 N 0.984 8.311 7.556 1.00 . A A . 37 ARG NH1 1 1
1 431 1 1 28 ARG NH2 N 2.806 7.624 8.717 1.00 . A A . 37 ARG NH2 1 1
1 432 1 1 28 ARG O O -0.628 1.432 5.000 1.00 . A A . 37 ARG O 1 1
1 433 1 1 29 LYS C C -0.616 -0.122 2.241 1.00 . A A . 38 LYS C 1 1
1 434 1 1 29 LYS CA C -1.906 0.520 2.770 1.00 . A A . 38 LYS CA 1 1
1 435 1 1 29 LYS CB C -2.993 0.429 1.692 1.00 . A A . 38 LYS CB 1 1
1 436 1 1 29 LYS CD C -5.477 0.326 2.010 1.00 . A A . 38 LYS CD 1 1
1 437 1 1 29 LYS CE C -6.587 1.091 1.283 1.00 . A A . 38 LYS CE 1 1
1 438 1 1 29 LYS CG C -4.235 1.212 2.134 1.00 . A A . 38 LYS CG 1 1
1 439 1 1 29 LYS H H -1.963 2.661 2.507 1.00 . A A . 38 LYS H 1 1
1 440 1 1 29 LYS HA H -2.232 -0.009 3.653 1.00 . A A . 38 LYS HA 1 1
1 441 1 1 29 LYS HB2 H -2.616 0.844 0.769 1.00 . A A . 38 LYS HB2 1 1
1 442 1 1 29 LYS HB3 H -3.259 -0.606 1.537 1.00 . A A . 38 LYS HB3 1 1
1 443 1 1 29 LYS HD2 H -5.230 -0.566 1.453 1.00 . A A . 38 LYS HD2 1 1
1 444 1 1 29 LYS HD3 H -5.820 0.050 2.996 1.00 . A A . 38 LYS HD3 1 1
1 445 1 1 29 LYS HE2 H -6.484 2.148 1.477 1.00 . A A . 38 LYS HE2 1 1
1 446 1 1 29 LYS HE3 H -6.509 0.912 0.221 1.00 . A A . 38 LYS HE3 1 1
1 447 1 1 29 LYS HG2 H -4.117 1.524 3.161 1.00 . A A . 38 LYS HG2 1 1
1 448 1 1 29 LYS HG3 H -4.352 2.082 1.507 1.00 . A A . 38 LYS HG3 1 1
1 449 1 1 29 LYS HZ1 H -7.963 -0.413 1.716 1.00 . A A . 38 LYS HZ1 1 1
1 450 1 1 29 LYS HZ2 H -8.666 1.031 1.174 1.00 . A A . 38 LYS HZ2 1 1
1 451 1 1 29 LYS HZ3 H -8.053 0.929 2.754 1.00 . A A . 38 LYS HZ3 1 1
1 452 1 1 29 LYS N N -1.654 1.955 3.114 1.00 . A A . 38 LYS N 1 1
1 453 1 1 29 LYS NZ N -7.918 0.624 1.768 1.00 . A A . 38 LYS NZ 1 1
1 454 1 1 29 LYS O O -0.381 -1.301 2.436 1.00 . A A . 38 LYS O 1 1
1 455 1 1 30 GLU C C 2.386 -0.462 2.135 1.00 . A A . 39 GLU C 1 1
1 456 1 1 30 GLU CA C 1.496 0.100 1.013 1.00 . A A . 39 GLU CA 1 1
1 457 1 1 30 GLU CB C 2.249 1.219 0.279 1.00 . A A . 39 GLU CB 1 1
1 458 1 1 30 GLU CD C 4.161 2.371 1.434 1.00 . A A . 39 GLU CD 1 1
1 459 1 1 30 GLU CG C 2.637 2.332 1.263 1.00 . A A . 39 GLU CG 1 1
1 460 1 1 30 GLU H H -0.007 1.591 1.427 1.00 . A A . 39 GLU H 1 1
1 461 1 1 30 GLU HA H 1.269 -0.689 0.313 1.00 . A A . 39 GLU HA 1 1
1 462 1 1 30 GLU HB2 H 3.140 0.811 -0.173 1.00 . A A . 39 GLU HB2 1 1
1 463 1 1 30 GLU HB3 H 1.614 1.630 -0.491 1.00 . A A . 39 GLU HB3 1 1
1 464 1 1 30 GLU HG2 H 2.295 3.281 0.880 1.00 . A A . 39 GLU HG2 1 1
1 465 1 1 30 GLU HG3 H 2.175 2.146 2.221 1.00 . A A . 39 GLU HG3 1 1
1 466 1 1 30 GLU N N 0.216 0.647 1.570 1.00 . A A . 39 GLU N 1 1
1 467 1 1 30 GLU O O 3.200 -1.339 1.902 1.00 . A A . 39 GLU O 1 1
1 468 1 1 30 GLU OE1 O 4.688 1.508 2.119 1.00 . A A . 39 GLU OE1 1 1
1 469 1 1 30 GLU OE2 O 4.775 3.266 0.880 1.00 . A A . 39 GLU OE2 1 1
1 470 1 1 31 ASN C C 2.658 -1.869 4.896 1.00 . A A . 40 ASN C 1 1
1 471 1 1 31 ASN CA C 3.085 -0.452 4.478 1.00 . A A . 40 ASN CA 1 1
1 472 1 1 31 ASN CB C 2.920 0.499 5.667 1.00 . A A . 40 ASN CB 1 1
1 473 1 1 31 ASN CG C 4.219 1.278 5.886 1.00 . A A . 40 ASN CG 1 1
1 474 1 1 31 ASN H H 1.589 0.749 3.502 1.00 . A A . 40 ASN H 1 1
1 475 1 1 31 ASN HA H 4.121 -0.466 4.175 1.00 . A A . 40 ASN HA 1 1
1 476 1 1 31 ASN HB2 H 2.114 1.193 5.464 1.00 . A A . 40 ASN HB2 1 1
1 477 1 1 31 ASN HB3 H 2.689 -0.071 6.554 1.00 . A A . 40 ASN HB3 1 1
1 478 1 1 31 ASN HD21 H 3.757 2.698 4.574 1.00 . A A . 40 ASN HD21 1 1
1 479 1 1 31 ASN HD22 H 5.258 2.882 5.345 1.00 . A A . 40 ASN HD22 1 1
1 480 1 1 31 ASN N N 2.245 0.040 3.343 1.00 . A A . 40 ASN N 1 1
1 481 1 1 31 ASN ND2 N 4.429 2.378 5.212 1.00 . A A . 40 ASN ND2 1 1
1 482 1 1 31 ASN O O 3.414 -2.580 5.533 1.00 . A A . 40 ASN O 1 1
1 483 1 1 31 ASN OD1 O 5.053 0.883 6.677 1.00 . A A . 40 ASN OD1 1 1
1 484 1 1 32 HIS C C 1.295 -4.672 3.839 1.00 . A A . 41 HIS C 1 1
1 485 1 1 32 HIS CA C 0.982 -3.645 4.944 1.00 . A A . 41 HIS CA 1 1
1 486 1 1 32 HIS CB C -0.526 -3.592 5.210 1.00 . A A . 41 HIS CB 1 1
1 487 1 1 32 HIS CD2 C -1.168 -1.248 6.207 1.00 . A A . 41 HIS CD2 1 1
1 488 1 1 32 HIS CE1 C -0.907 -1.714 8.306 1.00 . A A . 41 HIS CE1 1 1
1 489 1 1 32 HIS CG C -0.792 -2.565 6.278 1.00 . A A . 41 HIS CG 1 1
1 490 1 1 32 HIS H H 0.863 -1.687 4.048 1.00 . A A . 41 HIS H 1 1
1 491 1 1 32 HIS HA H 1.486 -3.945 5.851 1.00 . A A . 41 HIS HA 1 1
1 492 1 1 32 HIS HB2 H -1.044 -3.314 4.303 1.00 . A A . 41 HIS HB2 1 1
1 493 1 1 32 HIS HB3 H -0.870 -4.560 5.545 1.00 . A A . 41 HIS HB3 1 1
1 494 1 1 32 HIS HD1 H -0.374 -3.704 8.014 1.00 . A A . 41 HIS HD1 1 1
1 495 1 1 32 HIS HD2 H -1.378 -0.711 5.296 1.00 . A A . 41 HIS HD2 1 1
1 496 1 1 32 HIS HE1 H -0.863 -1.629 9.382 1.00 . A A . 41 HIS HE1 1 1
1 497 1 1 32 HIS N N 1.457 -2.279 4.554 1.00 . A A . 41 HIS N 1 1
1 498 1 1 32 HIS ND1 N -0.634 -2.842 7.626 1.00 . A A . 41 HIS ND1 1 1
1 499 1 1 32 HIS NE2 N -1.240 -0.712 7.489 1.00 . A A . 41 HIS NE2 1 1
1 500 1 1 32 HIS O O 1.006 -5.847 3.987 1.00 . A A . 41 HIS O 1 1
1 501 1 1 33 LEU C C 3.663 -5.715 1.964 1.00 . A A . 42 LEU C 1 1
1 502 1 1 33 LEU CA C 2.265 -5.172 1.666 1.00 . A A . 42 LEU CA 1 1
1 503 1 1 33 LEU CB C 2.284 -4.371 0.360 1.00 . A A . 42 LEU CB 1 1
1 504 1 1 33 LEU CD1 C 0.078 -3.224 0.190 1.00 . A A . 42 LEU CD1 1 1
1 505 1 1 33 LEU CD2 C 1.048 -4.335 -1.817 1.00 . A A . 42 LEU CD2 1 1
1 506 1 1 33 LEU CG C 0.901 -4.414 -0.295 1.00 . A A . 42 LEU CG 1 1
1 507 1 1 33 LEU H H 2.150 -3.324 2.648 1.00 . A A . 42 LEU H 1 1
1 508 1 1 33 LEU HA H 1.550 -5.979 1.601 1.00 . A A . 42 LEU HA 1 1
1 509 1 1 33 LEU HB2 H 2.545 -3.344 0.577 1.00 . A A . 42 LEU HB2 1 1
1 510 1 1 33 LEU HB3 H 3.013 -4.789 -0.306 1.00 . A A . 42 LEU HB3 1 1
1 511 1 1 33 LEU HD11 H -0.008 -3.263 1.265 1.00 . A A . 42 LEU HD11 1 1
1 512 1 1 33 LEU HD12 H -0.905 -3.261 -0.253 1.00 . A A . 42 LEU HD12 1 1
1 513 1 1 33 LEU HD13 H 0.572 -2.308 -0.099 1.00 . A A . 42 LEU HD13 1 1
1 514 1 1 33 LEU HD21 H 1.225 -5.323 -2.213 1.00 . A A . 42 LEU HD21 1 1
1 515 1 1 33 LEU HD22 H 1.880 -3.693 -2.066 1.00 . A A . 42 LEU HD22 1 1
1 516 1 1 33 LEU HD23 H 0.143 -3.932 -2.245 1.00 . A A . 42 LEU HD23 1 1
1 517 1 1 33 LEU HG H 0.402 -5.333 -0.026 1.00 . A A . 42 LEU HG 1 1
1 518 1 1 33 LEU N N 1.906 -4.250 2.751 1.00 . A A . 42 LEU N 1 1
1 519 1 1 33 LEU O O 4.591 -4.953 2.185 1.00 . A A . 42 LEU O 1 1
1 520 1 1 34 SER C C 6.222 -7.011 1.330 1.00 . A A . 43 SER C 1 1
1 521 1 1 34 SER CA C 5.162 -7.618 2.267 1.00 . A A . 43 SER CA 1 1
1 522 1 1 34 SER CB C 5.100 -9.133 2.057 1.00 . A A . 43 SER CB 1 1
1 523 1 1 34 SER H H 3.053 -7.602 1.807 1.00 . A A . 43 SER H 1 1
1 524 1 1 34 SER HA H 5.429 -7.408 3.288 1.00 . A A . 43 SER HA 1 1
1 525 1 1 34 SER HB2 H 4.129 -9.500 2.349 1.00 . A A . 43 SER HB2 1 1
1 526 1 1 34 SER HB3 H 5.267 -9.358 1.011 1.00 . A A . 43 SER HB3 1 1
1 527 1 1 34 SER HG H 6.793 -10.068 2.272 1.00 . A A . 43 SER HG 1 1
1 528 1 1 34 SER N N 3.821 -7.018 1.982 1.00 . A A . 43 SER N 1 1
1 529 1 1 34 SER O O 5.903 -6.288 0.402 1.00 . A A . 43 SER O 1 1
1 530 1 1 34 SER OG O 6.095 -9.761 2.855 1.00 . A A . 43 SER OG 1 1
1 531 1 1 35 ASP C C 8.219 -6.927 -0.777 1.00 . A A . 44 ASP C 1 1
1 532 1 1 35 ASP CA C 8.572 -6.743 0.705 1.00 . A A . 44 ASP CA 1 1
1 533 1 1 35 ASP CB C 9.887 -7.469 1.005 1.00 . A A . 44 ASP CB 1 1
1 534 1 1 35 ASP CG C 11.015 -6.445 1.176 1.00 . A A . 44 ASP CG 1 1
1 535 1 1 35 ASP H H 7.710 -7.881 2.326 1.00 . A A . 44 ASP H 1 1
1 536 1 1 35 ASP HA H 8.690 -5.690 0.915 1.00 . A A . 44 ASP HA 1 1
1 537 1 1 35 ASP HB2 H 9.779 -8.044 1.913 1.00 . A A . 44 ASP HB2 1 1
1 538 1 1 35 ASP HB3 H 10.125 -8.131 0.187 1.00 . A A . 44 ASP HB3 1 1
1 539 1 1 35 ASP N N 7.481 -7.299 1.571 1.00 . A A . 44 ASP N 1 1
1 540 1 1 35 ASP O O 8.435 -6.041 -1.584 1.00 . A A . 44 ASP O 1 1
1 541 1 1 35 ASP OD1 O 11.445 -5.890 0.176 1.00 . A A . 44 ASP OD1 1 1
1 542 1 1 35 ASP OD2 O 11.432 -6.235 2.304 1.00 . A A . 44 ASP OD2 1 1
1 543 1 1 36 GLU C C 5.985 -7.585 -2.886 1.00 . A A . 45 GLU C 1 1
1 544 1 1 36 GLU CA C 7.292 -8.311 -2.560 1.00 . A A . 45 GLU CA 1 1
1 545 1 1 36 GLU CB C 7.118 -9.814 -2.798 1.00 . A A . 45 GLU CB 1 1
1 546 1 1 36 GLU CD C 8.441 -11.814 -2.070 1.00 . A A . 45 GLU CD 1 1
1 547 1 1 36 GLU CG C 8.493 -10.490 -2.839 1.00 . A A . 45 GLU CG 1 1
1 548 1 1 36 GLU H H 7.503 -8.759 -0.462 1.00 . A A . 45 GLU H 1 1
1 549 1 1 36 GLU HA H 8.065 -7.935 -3.198 1.00 . A A . 45 GLU HA 1 1
1 550 1 1 36 GLU HB2 H 6.531 -10.239 -1.996 1.00 . A A . 45 GLU HB2 1 1
1 551 1 1 36 GLU HB3 H 6.613 -9.975 -3.738 1.00 . A A . 45 GLU HB3 1 1
1 552 1 1 36 GLU HG2 H 8.768 -10.680 -3.867 1.00 . A A . 45 GLU HG2 1 1
1 553 1 1 36 GLU HG3 H 9.227 -9.841 -2.385 1.00 . A A . 45 GLU HG3 1 1
1 554 1 1 36 GLU N N 7.670 -8.066 -1.135 1.00 . A A . 45 GLU N 1 1
1 555 1 1 36 GLU O O 5.802 -7.091 -3.980 1.00 . A A . 45 GLU O 1 1
1 556 1 1 36 GLU OE1 O 8.655 -11.788 -0.868 1.00 . A A . 45 GLU OE1 1 1
1 557 1 1 36 GLU OE2 O 8.190 -12.832 -2.696 1.00 . A A . 45 GLU OE2 1 1
1 558 1 1 37 ASP C C 4.039 -5.349 -2.477 1.00 . A A . 46 ASP C 1 1
1 559 1 1 37 ASP CA C 3.788 -6.821 -2.155 1.00 . A A . 46 ASP CA 1 1
1 560 1 1 37 ASP CB C 2.955 -6.935 -0.875 1.00 . A A . 46 ASP CB 1 1
1 561 1 1 37 ASP CG C 2.293 -8.315 -0.810 1.00 . A A . 46 ASP CG 1 1
1 562 1 1 37 ASP H H 5.274 -7.912 -1.071 1.00 . A A . 46 ASP H 1 1
1 563 1 1 37 ASP HA H 3.263 -7.284 -2.976 1.00 . A A . 46 ASP HA 1 1
1 564 1 1 37 ASP HB2 H 3.595 -6.791 -0.015 1.00 . A A . 46 ASP HB2 1 1
1 565 1 1 37 ASP HB3 H 2.203 -6.178 -0.867 1.00 . A A . 46 ASP HB3 1 1
1 566 1 1 37 ASP N N 5.088 -7.513 -1.938 1.00 . A A . 46 ASP N 1 1
1 567 1 1 37 ASP O O 3.569 -4.837 -3.477 1.00 . A A . 46 ASP O 1 1
1 568 1 1 37 ASP OD1 O 1.458 -8.592 -1.659 1.00 . A A . 46 ASP OD1 1 1
1 569 1 1 37 ASP OD2 O 2.630 -9.072 0.086 1.00 . A A . 46 ASP OD2 1 1
1 570 1 1 38 PHE C C 5.912 -3.090 -3.170 1.00 . A A . 47 PHE C 1 1
1 571 1 1 38 PHE CA C 5.087 -3.233 -1.882 1.00 . A A . 47 PHE CA 1 1
1 572 1 1 38 PHE CB C 5.890 -2.683 -0.699 1.00 . A A . 47 PHE CB 1 1
1 573 1 1 38 PHE CD1 C 5.015 -0.368 -1.218 1.00 . A A . 47 PHE CD1 1 1
1 574 1 1 38 PHE CD2 C 7.351 -0.635 -0.631 1.00 . A A . 47 PHE CD2 1 1
1 575 1 1 38 PHE CE1 C 5.209 1.011 -1.359 1.00 . A A . 47 PHE CE1 1 1
1 576 1 1 38 PHE CE2 C 7.543 0.742 -0.772 1.00 . A A . 47 PHE CE2 1 1
1 577 1 1 38 PHE CG C 6.088 -1.192 -0.854 1.00 . A A . 47 PHE CG 1 1
1 578 1 1 38 PHE CZ C 6.474 1.564 -1.136 1.00 . A A . 47 PHE CZ 1 1
1 579 1 1 38 PHE H H 5.150 -5.120 -0.845 1.00 . A A . 47 PHE H 1 1
1 580 1 1 38 PHE HA H 4.161 -2.682 -1.978 1.00 . A A . 47 PHE HA 1 1
1 581 1 1 38 PHE HB2 H 5.357 -2.881 0.221 1.00 . A A . 47 PHE HB2 1 1
1 582 1 1 38 PHE HB3 H 6.855 -3.170 -0.670 1.00 . A A . 47 PHE HB3 1 1
1 583 1 1 38 PHE HD1 H 4.038 -0.796 -1.390 1.00 . A A . 47 PHE HD1 1 1
1 584 1 1 38 PHE HD2 H 8.178 -1.268 -0.350 1.00 . A A . 47 PHE HD2 1 1
1 585 1 1 38 PHE HE1 H 4.383 1.647 -1.639 1.00 . A A . 47 PHE HE1 1 1
1 586 1 1 38 PHE HE2 H 8.516 1.171 -0.600 1.00 . A A . 47 PHE HE2 1 1
1 587 1 1 38 PHE HZ H 6.627 2.626 -1.243 1.00 . A A . 47 PHE HZ 1 1
1 588 1 1 38 PHE N N 4.784 -4.673 -1.638 1.00 . A A . 47 PHE N 1 1
1 589 1 1 38 PHE O O 5.861 -2.072 -3.833 1.00 . A A . 47 PHE O 1 1
1 590 1 1 39 LYS C C 6.689 -4.467 -5.994 1.00 . A A . 48 LYS C 1 1
1 591 1 1 39 LYS CA C 7.505 -4.026 -4.765 1.00 . A A . 48 LYS CA 1 1
1 592 1 1 39 LYS CB C 8.724 -4.943 -4.614 1.00 . A A . 48 LYS CB 1 1
1 593 1 1 39 LYS CD C 10.671 -3.408 -4.963 1.00 . A A . 48 LYS CD 1 1
1 594 1 1 39 LYS CE C 11.813 -4.285 -5.481 1.00 . A A . 48 LYS CE 1 1
1 595 1 1 39 LYS CG C 9.858 -4.181 -3.921 1.00 . A A . 48 LYS CG 1 1
1 596 1 1 39 LYS H H 6.698 -4.917 -2.976 1.00 . A A . 48 LYS H 1 1
1 597 1 1 39 LYS HA H 7.841 -3.008 -4.902 1.00 . A A . 48 LYS HA 1 1
1 598 1 1 39 LYS HB2 H 8.454 -5.805 -4.022 1.00 . A A . 48 LYS HB2 1 1
1 599 1 1 39 LYS HB3 H 9.054 -5.266 -5.590 1.00 . A A . 48 LYS HB3 1 1
1 600 1 1 39 LYS HD2 H 10.029 -3.129 -5.787 1.00 . A A . 48 LYS HD2 1 1
1 601 1 1 39 LYS HD3 H 11.081 -2.519 -4.511 1.00 . A A . 48 LYS HD3 1 1
1 602 1 1 39 LYS HE2 H 12.337 -4.724 -4.645 1.00 . A A . 48 LYS HE2 1 1
1 603 1 1 39 LYS HE3 H 11.410 -5.070 -6.105 1.00 . A A . 48 LYS HE3 1 1
1 604 1 1 39 LYS HG2 H 9.440 -3.489 -3.204 1.00 . A A . 48 LYS HG2 1 1
1 605 1 1 39 LYS HG3 H 10.502 -4.881 -3.411 1.00 . A A . 48 LYS HG3 1 1
1 606 1 1 39 LYS HZ1 H 12.259 -3.038 -7.089 1.00 . A A . 48 LYS HZ1 1 1
1 607 1 1 39 LYS HZ2 H 13.538 -4.049 -6.624 1.00 . A A . 48 LYS HZ2 1 1
1 608 1 1 39 LYS HZ3 H 13.143 -2.693 -5.679 1.00 . A A . 48 LYS HZ3 1 1
1 609 1 1 39 LYS N N 6.673 -4.104 -3.526 1.00 . A A . 48 LYS N 1 1
1 610 1 1 39 LYS NZ N 12.759 -3.454 -6.279 1.00 . A A . 48 LYS NZ 1 1
1 611 1 1 39 LYS O O 7.058 -4.172 -7.115 1.00 . A A . 48 LYS O 1 1
1 612 1 1 40 ALA C C 3.697 -4.584 -7.261 1.00 . A A . 49 ALA C 1 1
1 613 1 1 40 ALA CA C 4.771 -5.626 -6.957 1.00 . A A . 49 ALA CA 1 1
1 614 1 1 40 ALA CB C 4.107 -6.964 -6.621 1.00 . A A . 49 ALA CB 1 1
1 615 1 1 40 ALA H H 5.307 -5.399 -4.894 1.00 . A A . 49 ALA H 1 1
1 616 1 1 40 ALA HA H 5.409 -5.748 -7.814 1.00 . A A . 49 ALA HA 1 1
1 617 1 1 40 ALA HB1 H 3.463 -7.261 -7.436 1.00 . A A . 49 ALA HB1 1 1
1 618 1 1 40 ALA HB2 H 3.521 -6.859 -5.719 1.00 . A A . 49 ALA HB2 1 1
1 619 1 1 40 ALA HB3 H 4.867 -7.717 -6.471 1.00 . A A . 49 ALA HB3 1 1
1 620 1 1 40 ALA N N 5.592 -5.171 -5.800 1.00 . A A . 49 ALA N 1 1
1 621 1 1 40 ALA O O 3.502 -4.190 -8.397 1.00 . A A . 49 ALA O 1 1
1 622 1 1 41 VAL C C 2.531 -1.783 -6.845 1.00 . A A . 50 VAL C 1 1
1 623 1 1 41 VAL CA C 1.920 -3.131 -6.432 1.00 . A A . 50 VAL CA 1 1
1 624 1 1 41 VAL CB C 1.151 -2.978 -5.111 1.00 . A A . 50 VAL CB 1 1
1 625 1 1 41 VAL CG1 C 0.366 -1.668 -5.110 1.00 . A A . 50 VAL CG1 1 1
1 626 1 1 41 VAL CG2 C 0.181 -4.151 -4.950 1.00 . A A . 50 VAL CG2 1 1
1 627 1 1 41 VAL H H 3.183 -4.489 -5.345 1.00 . A A . 50 VAL H 1 1
1 628 1 1 41 VAL HA H 1.242 -3.467 -7.203 1.00 . A A . 50 VAL HA 1 1
1 629 1 1 41 VAL HB H 1.851 -2.972 -4.287 1.00 . A A . 50 VAL HB 1 1
1 630 1 1 41 VAL HG11 H -0.305 -1.653 -4.266 1.00 . A A . 50 VAL HG11 1 1
1 631 1 1 41 VAL HG12 H -0.199 -1.588 -6.025 1.00 . A A . 50 VAL HG12 1 1
1 632 1 1 41 VAL HG13 H 1.056 -0.841 -5.038 1.00 . A A . 50 VAL HG13 1 1
1 633 1 1 41 VAL HG21 H 0.729 -5.031 -4.645 1.00 . A A . 50 VAL HG21 1 1
1 634 1 1 41 VAL HG22 H -0.312 -4.343 -5.891 1.00 . A A . 50 VAL HG22 1 1
1 635 1 1 41 VAL HG23 H -0.556 -3.909 -4.199 1.00 . A A . 50 VAL HG23 1 1
1 636 1 1 41 VAL N N 2.998 -4.144 -6.244 1.00 . A A . 50 VAL N 1 1
1 637 1 1 41 VAL O O 2.062 -1.142 -7.769 1.00 . A A . 50 VAL O 1 1
1 638 1 1 42 PHE C C 5.323 -0.220 -7.509 1.00 . A A . 51 PHE C 1 1
1 639 1 1 42 PHE CA C 4.195 -0.040 -6.486 1.00 . A A . 51 PHE CA 1 1
1 640 1 1 42 PHE CB C 4.764 0.547 -5.199 1.00 . A A . 51 PHE CB 1 1
1 641 1 1 42 PHE CD1 C 2.725 0.367 -3.735 1.00 . A A . 51 PHE CD1 1 1
1 642 1 1 42 PHE CD2 C 3.539 2.569 -4.335 1.00 . A A . 51 PHE CD2 1 1
1 643 1 1 42 PHE CE1 C 1.688 0.948 -3.002 1.00 . A A . 51 PHE CE1 1 1
1 644 1 1 42 PHE CE2 C 2.501 3.152 -3.601 1.00 . A A . 51 PHE CE2 1 1
1 645 1 1 42 PHE CG C 3.651 1.178 -4.402 1.00 . A A . 51 PHE CG 1 1
1 646 1 1 42 PHE CZ C 1.575 2.342 -2.935 1.00 . A A . 51 PHE CZ 1 1
1 647 1 1 42 PHE H H 3.914 -1.868 -5.412 1.00 . A A . 51 PHE H 1 1
1 648 1 1 42 PHE HA H 3.454 0.631 -6.886 1.00 . A A . 51 PHE HA 1 1
1 649 1 1 42 PHE HB2 H 5.222 -0.239 -4.617 1.00 . A A . 51 PHE HB2 1 1
1 650 1 1 42 PHE HB3 H 5.499 1.287 -5.441 1.00 . A A . 51 PHE HB3 1 1
1 651 1 1 42 PHE HD1 H 2.813 -0.708 -3.787 1.00 . A A . 51 PHE HD1 1 1
1 652 1 1 42 PHE HD2 H 4.254 3.194 -4.849 1.00 . A A . 51 PHE HD2 1 1
1 653 1 1 42 PHE HE1 H 0.974 0.321 -2.488 1.00 . A A . 51 PHE HE1 1 1
1 654 1 1 42 PHE HE2 H 2.413 4.227 -3.549 1.00 . A A . 51 PHE HE2 1 1
1 655 1 1 42 PHE HZ H 0.775 2.792 -2.370 1.00 . A A . 51 PHE HZ 1 1
1 656 1 1 42 PHE N N 3.561 -1.345 -6.159 1.00 . A A . 51 PHE N 1 1
1 657 1 1 42 PHE O O 5.709 0.723 -8.176 1.00 . A A . 51 PHE O 1 1
1 658 1 1 43 GLY C C 8.270 -0.984 -8.044 1.00 . A A . 52 GLY C 1 1
1 659 1 1 43 GLY CA C 6.988 -1.630 -8.593 1.00 . A A . 52 GLY CA 1 1
1 660 1 1 43 GLY H H 5.556 -2.153 -7.070 1.00 . A A . 52 GLY H 1 1
1 661 1 1 43 GLY HA2 H 7.145 -2.690 -8.728 1.00 . A A . 52 GLY HA2 1 1
1 662 1 1 43 GLY HA3 H 6.740 -1.178 -9.541 1.00 . A A . 52 GLY HA3 1 1
1 663 1 1 43 GLY N N 5.870 -1.410 -7.626 1.00 . A A . 52 GLY N 1 1
1 664 1 1 43 GLY O O 9.225 -0.778 -8.770 1.00 . A A . 52 GLY O 1 1
1 665 1 1 44 MET C C 9.567 -0.368 -4.662 1.00 . A A . 53 MET C 1 1
1 666 1 1 44 MET CA C 9.492 -0.025 -6.157 1.00 . A A . 53 MET CA 1 1
1 667 1 1 44 MET CB C 9.415 1.494 -6.335 1.00 . A A . 53 MET CB 1 1
1 668 1 1 44 MET CE C 9.507 4.375 -5.977 1.00 . A A . 53 MET CE 1 1
1 669 1 1 44 MET CG C 8.158 2.042 -5.649 1.00 . A A . 53 MET CG 1 1
1 670 1 1 44 MET H H 7.510 -0.834 -6.208 1.00 . A A . 53 MET H 1 1
1 671 1 1 44 MET HA H 10.372 -0.393 -6.650 1.00 . A A . 53 MET HA 1 1
1 672 1 1 44 MET HB2 H 10.290 1.949 -5.896 1.00 . A A . 53 MET HB2 1 1
1 673 1 1 44 MET HB3 H 9.378 1.730 -7.388 1.00 . A A . 53 MET HB3 1 1
1 674 1 1 44 MET HE1 H 9.686 4.491 -4.918 1.00 . A A . 53 MET HE1 1 1
1 675 1 1 44 MET HE2 H 9.601 5.332 -6.472 1.00 . A A . 53 MET HE2 1 1
1 676 1 1 44 MET HE3 H 10.230 3.687 -6.389 1.00 . A A . 53 MET HE3 1 1
1 677 1 1 44 MET HG2 H 7.314 1.412 -5.886 1.00 . A A . 53 MET HG2 1 1
1 678 1 1 44 MET HG3 H 8.308 2.056 -4.580 1.00 . A A . 53 MET HG3 1 1
1 679 1 1 44 MET N N 8.290 -0.660 -6.767 1.00 . A A . 53 MET N 1 1
1 680 1 1 44 MET O O 8.599 -0.807 -4.063 1.00 . A A . 53 MET O 1 1
1 681 1 1 44 MET SD S 7.838 3.725 -6.235 1.00 . A A . 53 MET SD 1 1
1 682 1 1 45 THR C C 10.629 0.799 -1.790 1.00 . A A . 54 THR C 1 1
1 683 1 1 45 THR CA C 10.883 -0.469 -2.612 1.00 . A A . 54 THR CA 1 1
1 684 1 1 45 THR CB C 12.318 -0.965 -2.349 1.00 . A A . 54 THR CB 1 1
1 685 1 1 45 THR CG2 C 12.309 -2.480 -2.142 1.00 . A A . 54 THR CG2 1 1
1 686 1 1 45 THR H H 11.471 0.185 -4.556 1.00 . A A . 54 THR H 1 1
1 687 1 1 45 THR HA H 10.179 -1.234 -2.319 1.00 . A A . 54 THR HA 1 1
1 688 1 1 45 THR HB H 12.697 -0.491 -1.461 1.00 . A A . 54 THR HB 1 1
1 689 1 1 45 THR HG1 H 13.541 0.228 -3.286 1.00 . A A . 54 THR HG1 1 1
1 690 1 1 45 THR HG21 H 11.302 -2.810 -1.936 1.00 . A A . 54 THR HG21 1 1
1 691 1 1 45 THR HG22 H 12.948 -2.732 -1.309 1.00 . A A . 54 THR HG22 1 1
1 692 1 1 45 THR HG23 H 12.672 -2.967 -3.035 1.00 . A A . 54 THR HG23 1 1
1 693 1 1 45 THR N N 10.714 -0.167 -4.059 1.00 . A A . 54 THR N 1 1
1 694 1 1 45 THR O O 10.285 1.844 -2.317 1.00 . A A . 54 THR O 1 1
1 695 1 1 45 THR OG1 O 13.165 -0.641 -3.447 1.00 . A A . 54 THR OG1 1 1
1 696 1 1 46 ARG C C 11.739 2.873 0.238 1.00 . A A . 55 ARG C 1 1
1 697 1 1 46 ARG CA C 10.589 1.868 0.400 1.00 . A A . 55 ARG CA 1 1
1 698 1 1 46 ARG CB C 10.525 1.371 1.847 1.00 . A A . 55 ARG CB 1 1
1 699 1 1 46 ARG CD C 11.302 -0.825 2.775 1.00 . A A . 55 ARG CD 1 1
1 700 1 1 46 ARG CG C 11.754 0.512 2.180 1.00 . A A . 55 ARG CG 1 1
1 701 1 1 46 ARG CZ C 10.421 -2.733 1.557 1.00 . A A . 55 ARG CZ 1 1
1 702 1 1 46 ARG H H 11.079 -0.146 -0.115 1.00 . A A . 55 ARG H 1 1
1 703 1 1 46 ARG HA H 9.654 2.350 0.145 1.00 . A A . 55 ARG HA 1 1
1 704 1 1 46 ARG HB2 H 10.500 2.214 2.502 1.00 . A A . 55 ARG HB2 1 1
1 705 1 1 46 ARG HB3 H 9.630 0.783 1.985 1.00 . A A . 55 ARG HB3 1 1
1 706 1 1 46 ARG HD2 H 11.931 -1.075 3.616 1.00 . A A . 55 ARG HD2 1 1
1 707 1 1 46 ARG HD3 H 10.276 -0.745 3.105 1.00 . A A . 55 ARG HD3 1 1
1 708 1 1 46 ARG HE H 12.223 -1.973 1.199 1.00 . A A . 55 ARG HE 1 1
1 709 1 1 46 ARG HG2 H 12.325 0.332 1.281 1.00 . A A . 55 ARG HG2 1 1
1 710 1 1 46 ARG HG3 H 12.370 1.031 2.898 1.00 . A A . 55 ARG HG3 1 1
1 711 1 1 46 ARG HH11 H 10.498 -3.479 3.417 1.00 . A A . 55 ARG HH11 1 1
1 712 1 1 46 ARG HH12 H 9.280 -4.157 2.389 1.00 . A A . 55 ARG HH12 1 1
1 713 1 1 46 ARG HH21 H 10.114 -2.188 -0.348 1.00 . A A . 55 ARG HH21 1 1
1 714 1 1 46 ARG HH22 H 9.062 -3.425 0.254 1.00 . A A . 55 ARG HH22 1 1
1 715 1 1 46 ARG N N 10.803 0.703 -0.499 1.00 . A A . 55 ARG N 1 1
1 716 1 1 46 ARG NE N 11.409 -1.896 1.741 1.00 . A A . 55 ARG NE 1 1
1 717 1 1 46 ARG NH1 N 10.036 -3.518 2.530 1.00 . A A . 55 ARG NH1 1 1
1 718 1 1 46 ARG NH2 N 9.819 -2.787 0.397 1.00 . A A . 55 ARG NH2 1 1
1 719 1 1 46 ARG O O 11.549 4.066 0.394 1.00 . A A . 55 ARG O 1 1
1 720 1 1 47 SER C C 13.808 4.264 -1.448 1.00 . A A . 56 SER C 1 1
1 721 1 1 47 SER CA C 14.090 3.323 -0.270 1.00 . A A . 56 SER CA 1 1
1 722 1 1 47 SER CB C 15.353 2.506 -0.561 1.00 . A A . 56 SER CB 1 1
1 723 1 1 47 SER H H 13.048 1.436 -0.211 1.00 . A A . 56 SER H 1 1
1 724 1 1 47 SER HA H 14.235 3.905 0.628 1.00 . A A . 56 SER HA 1 1
1 725 1 1 47 SER HB2 H 15.132 1.743 -1.288 1.00 . A A . 56 SER HB2 1 1
1 726 1 1 47 SER HB3 H 16.121 3.161 -0.952 1.00 . A A . 56 SER HB3 1 1
1 727 1 1 47 SER HG H 15.386 1.030 0.708 1.00 . A A . 56 SER HG 1 1
1 728 1 1 47 SER N N 12.926 2.400 -0.084 1.00 . A A . 56 SER N 1 1
1 729 1 1 47 SER O O 14.181 5.424 -1.427 1.00 . A A . 56 SER O 1 1
1 730 1 1 47 SER OG O 15.803 1.892 0.640 1.00 . A A . 56 SER OG 1 1
1 731 1 1 48 ALA C C 11.542 5.445 -3.320 1.00 . A A . 57 ALA C 1 1
1 732 1 1 48 ALA CA C 12.800 4.631 -3.643 1.00 . A A . 57 ALA CA 1 1
1 733 1 1 48 ALA CB C 12.541 3.747 -4.866 1.00 . A A . 57 ALA CB 1 1
1 734 1 1 48 ALA H H 12.831 2.841 -2.445 1.00 . A A . 57 ALA H 1 1
1 735 1 1 48 ALA HA H 13.622 5.302 -3.847 1.00 . A A . 57 ALA HA 1 1
1 736 1 1 48 ALA HB1 H 12.319 4.370 -5.720 1.00 . A A . 57 ALA HB1 1 1
1 737 1 1 48 ALA HB2 H 11.703 3.095 -4.669 1.00 . A A . 57 ALA HB2 1 1
1 738 1 1 48 ALA HB3 H 13.419 3.152 -5.072 1.00 . A A . 57 ALA HB3 1 1
1 739 1 1 48 ALA N N 13.133 3.774 -2.465 1.00 . A A . 57 ALA N 1 1
1 740 1 1 48 ALA O O 11.404 6.582 -3.735 1.00 . A A . 57 ALA O 1 1
1 741 1 1 49 PHE C C 9.696 6.837 -1.392 1.00 . A A . 58 PHE C 1 1
1 742 1 1 49 PHE CA C 9.375 5.566 -2.189 1.00 . A A . 58 PHE CA 1 1
1 743 1 1 49 PHE CB C 8.536 4.621 -1.329 1.00 . A A . 58 PHE CB 1 1
1 744 1 1 49 PHE CD1 C 6.367 4.698 -2.585 1.00 . A A . 58 PHE CD1 1 1
1 745 1 1 49 PHE CD2 C 6.455 5.667 -0.366 1.00 . A A . 58 PHE CD2 1 1
1 746 1 1 49 PHE CE1 C 5.017 5.051 -2.687 1.00 . A A . 58 PHE CE1 1 1
1 747 1 1 49 PHE CE2 C 5.104 6.020 -0.466 1.00 . A A . 58 PHE CE2 1 1
1 748 1 1 49 PHE CG C 7.083 5.006 -1.427 1.00 . A A . 58 PHE CG 1 1
1 749 1 1 49 PHE CZ C 4.385 5.712 -1.627 1.00 . A A . 58 PHE CZ 1 1
1 750 1 1 49 PHE H H 10.775 3.948 -2.254 1.00 . A A . 58 PHE H 1 1
1 751 1 1 49 PHE HA H 8.832 5.828 -3.072 1.00 . A A . 58 PHE HA 1 1
1 752 1 1 49 PHE HB2 H 8.662 3.607 -1.686 1.00 . A A . 58 PHE HB2 1 1
1 753 1 1 49 PHE HB3 H 8.863 4.684 -0.302 1.00 . A A . 58 PHE HB3 1 1
1 754 1 1 49 PHE HD1 H 6.860 4.189 -3.401 1.00 . A A . 58 PHE HD1 1 1
1 755 1 1 49 PHE HD2 H 7.012 5.903 0.528 1.00 . A A . 58 PHE HD2 1 1
1 756 1 1 49 PHE HE1 H 4.464 4.815 -3.583 1.00 . A A . 58 PHE HE1 1 1
1 757 1 1 49 PHE HE2 H 4.617 6.530 0.352 1.00 . A A . 58 PHE HE2 1 1
1 758 1 1 49 PHE HZ H 3.343 5.984 -1.705 1.00 . A A . 58 PHE HZ 1 1
1 759 1 1 49 PHE N N 10.631 4.862 -2.571 1.00 . A A . 58 PHE N 1 1
1 760 1 1 49 PHE O O 8.964 7.809 -1.437 1.00 . A A . 58 PHE O 1 1
1 761 1 1 50 ALA C C 11.680 9.144 -0.776 1.00 . A A . 59 ALA C 1 1
1 762 1 1 50 ALA CA C 11.180 8.020 0.144 1.00 . A A . 59 ALA CA 1 1
1 763 1 1 50 ALA CB C 12.295 7.625 1.116 1.00 . A A . 59 ALA CB 1 1
1 764 1 1 50 ALA H H 11.344 6.026 -0.661 1.00 . A A . 59 ALA H 1 1
1 765 1 1 50 ALA HA H 10.326 8.370 0.704 1.00 . A A . 59 ALA HA 1 1
1 766 1 1 50 ALA HB1 H 12.574 8.482 1.711 1.00 . A A . 59 ALA HB1 1 1
1 767 1 1 50 ALA HB2 H 13.153 7.279 0.559 1.00 . A A . 59 ALA HB2 1 1
1 768 1 1 50 ALA HB3 H 11.944 6.836 1.764 1.00 . A A . 59 ALA HB3 1 1
1 769 1 1 50 ALA N N 10.784 6.826 -0.668 1.00 . A A . 59 ALA N 1 1
1 770 1 1 50 ALA O O 11.559 10.312 -0.453 1.00 . A A . 59 ALA O 1 1
1 771 1 1 51 ASN C C 11.652 10.275 -3.847 1.00 . A A . 60 ASN C 1 1
1 772 1 1 51 ASN CA C 12.754 9.846 -2.857 1.00 . A A . 60 ASN CA 1 1
1 773 1 1 51 ASN CB C 13.947 9.276 -3.634 1.00 . A A . 60 ASN CB 1 1
1 774 1 1 51 ASN CG C 15.227 10.003 -3.216 1.00 . A A . 60 ASN CG 1 1
1 775 1 1 51 ASN H H 12.329 7.854 -2.152 1.00 . A A . 60 ASN H 1 1
1 776 1 1 51 ASN HA H 13.078 10.707 -2.292 1.00 . A A . 60 ASN HA 1 1
1 777 1 1 51 ASN HB2 H 14.045 8.220 -3.418 1.00 . A A . 60 ASN HB2 1 1
1 778 1 1 51 ASN HB3 H 13.786 9.413 -4.694 1.00 . A A . 60 ASN HB3 1 1
1 779 1 1 51 ASN HD21 H 15.474 8.924 -1.565 1.00 . A A . 60 ASN HD21 1 1
1 780 1 1 51 ASN HD22 H 16.656 10.110 -1.841 1.00 . A A . 60 ASN HD22 1 1
1 781 1 1 51 ASN N N 12.242 8.801 -1.916 1.00 . A A . 60 ASN N 1 1
1 782 1 1 51 ASN ND2 N 15.836 9.650 -2.116 1.00 . A A . 60 ASN ND2 1 1
1 783 1 1 51 ASN O O 11.915 10.997 -4.793 1.00 . A A . 60 ASN O 1 1
1 784 1 1 51 ASN OD1 O 15.678 10.903 -3.896 1.00 . A A . 60 ASN OD1 1 1
1 785 1 1 52 LEU C C 8.942 11.703 -4.360 1.00 . A A . 61 LEU C 1 1
1 786 1 1 52 LEU CA C 9.317 10.221 -4.557 1.00 . A A . 61 LEU CA 1 1
1 787 1 1 52 LEU CB C 8.109 9.339 -4.242 1.00 . A A . 61 LEU CB 1 1
1 788 1 1 52 LEU CD1 C 7.181 7.029 -4.457 1.00 . A A . 61 LEU CD1 1 1
1 789 1 1 52 LEU CD2 C 8.038 8.214 -6.474 1.00 . A A . 61 LEU CD2 1 1
1 790 1 1 52 LEU CG C 8.240 8.000 -4.974 1.00 . A A . 61 LEU CG 1 1
1 791 1 1 52 LEU H H 10.226 9.267 -2.879 1.00 . A A . 61 LEU H 1 1
1 792 1 1 52 LEU HA H 9.624 10.059 -5.579 1.00 . A A . 61 LEU HA 1 1
1 793 1 1 52 LEU HB2 H 8.064 9.162 -3.176 1.00 . A A . 61 LEU HB2 1 1
1 794 1 1 52 LEU HB3 H 7.214 9.835 -4.559 1.00 . A A . 61 LEU HB3 1 1
1 795 1 1 52 LEU HD11 H 7.278 6.927 -3.387 1.00 . A A . 61 LEU HD11 1 1
1 796 1 1 52 LEU HD12 H 7.317 6.064 -4.924 1.00 . A A . 61 LEU HD12 1 1
1 797 1 1 52 LEU HD13 H 6.198 7.408 -4.695 1.00 . A A . 61 LEU HD13 1 1
1 798 1 1 52 LEU HD21 H 8.773 8.914 -6.839 1.00 . A A . 61 LEU HD21 1 1
1 799 1 1 52 LEU HD22 H 7.047 8.606 -6.650 1.00 . A A . 61 LEU HD22 1 1
1 800 1 1 52 LEU HD23 H 8.149 7.272 -6.990 1.00 . A A . 61 LEU HD23 1 1
1 801 1 1 52 LEU HG H 9.223 7.587 -4.797 1.00 . A A . 61 LEU HG 1 1
1 802 1 1 52 LEU N N 10.424 9.843 -3.639 1.00 . A A . 61 LEU N 1 1
1 803 1 1 52 LEU O O 9.302 12.309 -3.366 1.00 . A A . 61 LEU O 1 1
1 804 1 1 53 PRO C C 6.573 13.827 -4.372 1.00 . A A . 62 PRO C 1 1
1 805 1 1 53 PRO CA C 7.768 13.642 -5.314 1.00 . A A . 62 PRO CA 1 1
1 806 1 1 53 PRO CB C 7.359 13.894 -6.771 1.00 . A A . 62 PRO CB 1 1
1 807 1 1 53 PRO CD C 7.795 11.475 -6.520 1.00 . A A . 62 PRO CD 1 1
1 808 1 1 53 PRO CG C 7.064 12.512 -7.388 1.00 . A A . 62 PRO CG 1 1
1 809 1 1 53 PRO HA H 8.558 14.306 -5.050 1.00 . A A . 62 PRO HA 1 1
1 810 1 1 53 PRO HB2 H 6.472 14.513 -6.802 1.00 . A A . 62 PRO HB2 1 1
1 811 1 1 53 PRO HB3 H 8.157 14.364 -7.310 1.00 . A A . 62 PRO HB3 1 1
1 812 1 1 53 PRO HD2 H 7.121 10.676 -6.243 1.00 . A A . 62 PRO HD2 1 1
1 813 1 1 53 PRO HD3 H 8.655 11.084 -7.041 1.00 . A A . 62 PRO HD3 1 1
1 814 1 1 53 PRO HG2 H 6.001 12.329 -7.375 1.00 . A A . 62 PRO HG2 1 1
1 815 1 1 53 PRO HG3 H 7.436 12.471 -8.399 1.00 . A A . 62 PRO HG3 1 1
1 816 1 1 53 PRO N N 8.223 12.235 -5.325 1.00 . A A . 62 PRO N 1 1
1 817 1 1 53 PRO O O 6.708 14.286 -3.253 1.00 . A A . 62 PRO O 1 1
1 818 1 1 54 LEU C C 2.994 13.381 -5.073 1.00 . A A . 63 LEU C 1 1
1 819 1 1 54 LEU CA C 4.139 13.613 -4.083 1.00 . A A . 63 LEU CA 1 1
1 820 1 1 54 LEU CB C 4.011 15.019 -3.463 1.00 . A A . 63 LEU CB 1 1
1 821 1 1 54 LEU CD1 C 3.401 16.467 -5.422 1.00 . A A . 63 LEU CD1 1 1
1 822 1 1 54 LEU CD2 C 4.940 17.335 -3.657 1.00 . A A . 63 LEU CD2 1 1
1 823 1 1 54 LEU CG C 4.514 16.092 -4.442 1.00 . A A . 63 LEU CG 1 1
1 824 1 1 54 LEU H H 5.379 13.126 -5.760 1.00 . A A . 63 LEU H 1 1
1 825 1 1 54 LEU HA H 4.104 12.862 -3.306 1.00 . A A . 63 LEU HA 1 1
1 826 1 1 54 LEU HB2 H 2.974 15.210 -3.227 1.00 . A A . 63 LEU HB2 1 1
1 827 1 1 54 LEU HB3 H 4.595 15.062 -2.556 1.00 . A A . 63 LEU HB3 1 1
1 828 1 1 54 LEU HD11 H 2.503 15.919 -5.174 1.00 . A A . 63 LEU HD11 1 1
1 829 1 1 54 LEU HD12 H 3.711 16.211 -6.426 1.00 . A A . 63 LEU HD12 1 1
1 830 1 1 54 LEU HD13 H 3.207 17.527 -5.363 1.00 . A A . 63 LEU HD13 1 1
1 831 1 1 54 LEU HD21 H 4.099 17.709 -3.091 1.00 . A A . 63 LEU HD21 1 1
1 832 1 1 54 LEU HD22 H 5.280 18.095 -4.344 1.00 . A A . 63 LEU HD22 1 1
1 833 1 1 54 LEU HD23 H 5.741 17.076 -2.981 1.00 . A A . 63 LEU HD23 1 1
1 834 1 1 54 LEU HG H 5.360 15.710 -4.993 1.00 . A A . 63 LEU HG 1 1
1 835 1 1 54 LEU N N 5.414 13.479 -4.853 1.00 . A A . 63 LEU N 1 1
1 836 1 1 54 LEU O O 1.988 12.773 -4.754 1.00 . A A . 63 LEU O 1 1
1 837 1 1 55 TRP C C 2.261 12.214 -7.830 1.00 . A A . 64 TRP C 1 1
1 838 1 1 55 TRP CA C 2.178 13.667 -7.352 1.00 . A A . 64 TRP CA 1 1
1 839 1 1 55 TRP CB C 2.515 14.647 -8.483 1.00 . A A . 64 TRP CB 1 1
1 840 1 1 55 TRP CD1 C 5.056 14.792 -8.694 1.00 . A A . 64 TRP CD1 1 1
1 841 1 1 55 TRP CD2 C 4.114 13.437 -10.220 1.00 . A A . 64 TRP CD2 1 1
1 842 1 1 55 TRP CE2 C 5.504 13.422 -10.472 1.00 . A A . 64 TRP CE2 1 1
1 843 1 1 55 TRP CE3 C 3.283 12.663 -11.036 1.00 . A A . 64 TRP CE3 1 1
1 844 1 1 55 TRP CG C 3.847 14.315 -9.097 1.00 . A A . 64 TRP CG 1 1
1 845 1 1 55 TRP CH2 C 5.206 11.892 -12.313 1.00 . A A . 64 TRP CH2 1 1
1 846 1 1 55 TRP CZ2 C 6.050 12.660 -11.505 1.00 . A A . 64 TRP CZ2 1 1
1 847 1 1 55 TRP CZ3 C 3.823 11.892 -12.078 1.00 . A A . 64 TRP CZ3 1 1
1 848 1 1 55 TRP H H 3.998 14.306 -6.519 1.00 . A A . 64 TRP H 1 1
1 849 1 1 55 TRP HA H 1.194 13.875 -6.966 1.00 . A A . 64 TRP HA 1 1
1 850 1 1 55 TRP HB2 H 1.756 14.584 -9.235 1.00 . A A . 64 TRP HB2 1 1
1 851 1 1 55 TRP HB3 H 2.544 15.653 -8.087 1.00 . A A . 64 TRP HB3 1 1
1 852 1 1 55 TRP HD1 H 5.231 15.470 -7.866 1.00 . A A . 64 TRP HD1 1 1
1 853 1 1 55 TRP HE1 H 6.995 14.453 -9.446 1.00 . A A . 64 TRP HE1 1 1
1 854 1 1 55 TRP HE3 H 2.220 12.659 -10.853 1.00 . A A . 64 TRP HE3 1 1
1 855 1 1 55 TRP HH2 H 5.618 11.297 -13.115 1.00 . A A . 64 TRP HH2 1 1
1 856 1 1 55 TRP HZ2 H 7.116 12.665 -11.681 1.00 . A A . 64 TRP HZ2 1 1
1 857 1 1 55 TRP HZ3 H 3.172 11.298 -12.701 1.00 . A A . 64 TRP HZ3 1 1
1 858 1 1 55 TRP N N 3.176 13.847 -6.292 1.00 . A A . 64 TRP N 1 1
1 859 1 1 55 TRP NE1 N 6.036 14.265 -9.517 1.00 . A A . 64 TRP NE1 1 1
1 860 1 1 55 TRP O O 1.260 11.590 -8.129 1.00 . A A . 64 TRP O 1 1
1 861 1 1 56 LYS C C 3.275 9.361 -7.077 1.00 . A A . 65 LYS C 1 1
1 862 1 1 56 LYS CA C 3.636 10.245 -8.276 1.00 . A A . 65 LYS CA 1 1
1 863 1 1 56 LYS CB C 5.094 10.007 -8.691 1.00 . A A . 65 LYS CB 1 1
1 864 1 1 56 LYS CD C 6.576 8.268 -9.709 1.00 . A A . 65 LYS CD 1 1
1 865 1 1 56 LYS CE C 6.968 6.789 -9.669 1.00 . A A . 65 LYS CE 1 1
1 866 1 1 56 LYS CG C 5.370 8.504 -8.797 1.00 . A A . 65 LYS CG 1 1
1 867 1 1 56 LYS H H 4.246 12.195 -7.592 1.00 . A A . 65 LYS H 1 1
1 868 1 1 56 LYS HA H 2.977 10.021 -9.103 1.00 . A A . 65 LYS HA 1 1
1 869 1 1 56 LYS HB2 H 5.275 10.474 -9.648 1.00 . A A . 65 LYS HB2 1 1
1 870 1 1 56 LYS HB3 H 5.752 10.438 -7.952 1.00 . A A . 65 LYS HB3 1 1
1 871 1 1 56 LYS HD2 H 6.321 8.546 -10.722 1.00 . A A . 65 LYS HD2 1 1
1 872 1 1 56 LYS HD3 H 7.407 8.868 -9.370 1.00 . A A . 65 LYS HD3 1 1
1 873 1 1 56 LYS HE2 H 7.065 6.471 -8.641 1.00 . A A . 65 LYS HE2 1 1
1 874 1 1 56 LYS HE3 H 6.205 6.201 -10.157 1.00 . A A . 65 LYS HE3 1 1
1 875 1 1 56 LYS HG2 H 5.579 8.108 -7.812 1.00 . A A . 65 LYS HG2 1 1
1 876 1 1 56 LYS HG3 H 4.506 8.006 -9.210 1.00 . A A . 65 LYS HG3 1 1
1 877 1 1 56 LYS HZ1 H 9.009 7.145 -9.889 1.00 . A A . 65 LYS HZ1 1 1
1 878 1 1 56 LYS HZ2 H 8.185 6.922 -11.355 1.00 . A A . 65 LYS HZ2 1 1
1 879 1 1 56 LYS HZ3 H 8.522 5.587 -10.360 1.00 . A A . 65 LYS HZ3 1 1
1 880 1 1 56 LYS N N 3.460 11.667 -7.865 1.00 . A A . 65 LYS N 1 1
1 881 1 1 56 LYS NZ N 8.269 6.597 -10.372 1.00 . A A . 65 LYS NZ 1 1
1 882 1 1 56 LYS O O 2.583 8.376 -7.218 1.00 . A A . 65 LYS O 1 1
1 883 1 1 57 GLN C C 1.916 8.669 -4.595 1.00 . A A . 66 GLN C 1 1
1 884 1 1 57 GLN CA C 3.413 8.953 -4.656 1.00 . A A . 66 GLN CA 1 1
1 885 1 1 57 GLN CB C 3.781 9.798 -3.437 1.00 . A A . 66 GLN CB 1 1
1 886 1 1 57 GLN CD C 4.880 9.128 -1.290 1.00 . A A . 66 GLN CD 1 1
1 887 1 1 57 GLN CG C 3.633 8.961 -2.163 1.00 . A A . 66 GLN CG 1 1
1 888 1 1 57 GLN H H 4.275 10.546 -5.825 1.00 . A A . 66 GLN H 1 1
1 889 1 1 57 GLN HA H 3.970 8.028 -4.645 1.00 . A A . 66 GLN HA 1 1
1 890 1 1 57 GLN HB2 H 4.791 10.144 -3.535 1.00 . A A . 66 GLN HB2 1 1
1 891 1 1 57 GLN HB3 H 3.118 10.648 -3.380 1.00 . A A . 66 GLN HB3 1 1
1 892 1 1 57 GLN HE21 H 6.121 8.473 -2.694 1.00 . A A . 66 GLN HE21 1 1
1 893 1 1 57 GLN HE22 H 6.853 8.914 -1.227 1.00 . A A . 66 GLN HE22 1 1
1 894 1 1 57 GLN HG2 H 2.760 9.291 -1.616 1.00 . A A . 66 GLN HG2 1 1
1 895 1 1 57 GLN HG3 H 3.517 7.921 -2.427 1.00 . A A . 66 GLN HG3 1 1
1 896 1 1 57 GLN N N 3.729 9.733 -5.897 1.00 . A A . 66 GLN N 1 1
1 897 1 1 57 GLN NE2 N 6.049 8.813 -1.778 1.00 . A A . 66 GLN NE2 1 1
1 898 1 1 57 GLN O O 1.484 7.537 -4.481 1.00 . A A . 66 GLN O 1 1
1 899 1 1 57 GLN OE1 O 4.789 9.549 -0.154 1.00 . A A . 66 GLN OE1 1 1
1 900 1 1 58 GLN C C -0.860 8.741 -5.767 1.00 . A A . 67 GLN C 1 1
1 901 1 1 58 GLN CA C -0.351 9.568 -4.583 1.00 . A A . 67 GLN CA 1 1
1 902 1 1 58 GLN CB C -0.970 10.964 -4.585 1.00 . A A . 67 GLN CB 1 1
1 903 1 1 58 GLN CD C -1.797 12.874 -5.976 1.00 . A A . 67 GLN CD 1 1
1 904 1 1 58 GLN CG C -1.281 11.433 -6.010 1.00 . A A . 67 GLN CG 1 1
1 905 1 1 58 GLN H H 1.537 10.608 -4.724 1.00 . A A . 67 GLN H 1 1
1 906 1 1 58 GLN HA H -0.613 9.066 -3.664 1.00 . A A . 67 GLN HA 1 1
1 907 1 1 58 GLN HB2 H -1.876 10.962 -3.998 1.00 . A A . 67 GLN HB2 1 1
1 908 1 1 58 GLN HB3 H -0.259 11.633 -4.147 1.00 . A A . 67 GLN HB3 1 1
1 909 1 1 58 GLN HE21 H -0.067 13.635 -5.362 1.00 . A A . 67 GLN HE21 1 1
1 910 1 1 58 GLN HE22 H -1.316 14.761 -5.588 1.00 . A A . 67 GLN HE22 1 1
1 911 1 1 58 GLN HG2 H -0.383 11.387 -6.605 1.00 . A A . 67 GLN HG2 1 1
1 912 1 1 58 GLN HG3 H -2.035 10.793 -6.443 1.00 . A A . 67 GLN HG3 1 1
1 913 1 1 58 GLN N N 1.134 9.712 -4.651 1.00 . A A . 67 GLN N 1 1
1 914 1 1 58 GLN NE2 N -0.993 13.836 -5.611 1.00 . A A . 67 GLN NE2 1 1
1 915 1 1 58 GLN O O -1.725 7.900 -5.609 1.00 . A A . 67 GLN O 1 1
1 916 1 1 58 GLN OE1 O -2.945 13.127 -6.284 1.00 . A A . 67 GLN OE1 1 1
1 917 1 1 59 ASN C C -0.259 6.727 -7.978 1.00 . A A . 68 ASN C 1 1
1 918 1 1 59 ASN CA C -0.757 8.165 -8.128 1.00 . A A . 68 ASN CA 1 1
1 919 1 1 59 ASN CB C -0.178 8.778 -9.403 1.00 . A A . 68 ASN CB 1 1
1 920 1 1 59 ASN CG C -1.177 9.776 -9.994 1.00 . A A . 68 ASN CG 1 1
1 921 1 1 59 ASN H H 0.390 9.630 -7.042 1.00 . A A . 68 ASN H 1 1
1 922 1 1 59 ASN HA H -1.831 8.164 -8.177 1.00 . A A . 68 ASN HA 1 1
1 923 1 1 59 ASN HB2 H 0.746 9.286 -9.168 1.00 . A A . 68 ASN HB2 1 1
1 924 1 1 59 ASN HB3 H 0.015 7.995 -10.121 1.00 . A A . 68 ASN HB3 1 1
1 925 1 1 59 ASN HD21 H -0.591 11.276 -8.830 1.00 . A A . 68 ASN HD21 1 1
1 926 1 1 59 ASN HD22 H -1.843 11.645 -9.915 1.00 . A A . 68 ASN HD22 1 1
1 927 1 1 59 ASN N N -0.318 8.958 -6.943 1.00 . A A . 68 ASN N 1 1
1 928 1 1 59 ASN ND2 N -1.206 11.001 -9.542 1.00 . A A . 68 ASN ND2 1 1
1 929 1 1 59 ASN O O -0.751 5.821 -8.624 1.00 . A A . 68 ASN O 1 1
1 930 1 1 59 ASN OD1 O -1.941 9.438 -10.877 1.00 . A A . 68 ASN OD1 1 1
1 931 1 1 60 LEU C C 0.283 4.404 -5.947 1.00 . A A . 69 LEU C 1 1
1 932 1 1 60 LEU CA C 1.233 5.141 -6.885 1.00 . A A . 69 LEU CA 1 1
1 933 1 1 60 LEU CB C 2.624 5.209 -6.249 1.00 . A A . 69 LEU CB 1 1
1 934 1 1 60 LEU CD1 C 4.955 6.003 -6.625 1.00 . A A . 69 LEU CD1 1 1
1 935 1 1 60 LEU CD2 C 3.882 4.445 -8.260 1.00 . A A . 69 LEU CD2 1 1
1 936 1 1 60 LEU CG C 3.640 5.614 -7.302 1.00 . A A . 69 LEU CG 1 1
1 937 1 1 60 LEU H H 1.060 7.272 -6.591 1.00 . A A . 69 LEU H 1 1
1 938 1 1 60 LEU HA H 1.288 4.624 -7.826 1.00 . A A . 69 LEU HA 1 1
1 939 1 1 60 LEU HB2 H 2.626 5.936 -5.450 1.00 . A A . 69 LEU HB2 1 1
1 940 1 1 60 LEU HB3 H 2.886 4.244 -5.861 1.00 . A A . 69 LEU HB3 1 1
1 941 1 1 60 LEU HD11 H 5.166 5.312 -5.822 1.00 . A A . 69 LEU HD11 1 1
1 942 1 1 60 LEU HD12 H 4.872 7.003 -6.225 1.00 . A A . 69 LEU HD12 1 1
1 943 1 1 60 LEU HD13 H 5.757 5.970 -7.347 1.00 . A A . 69 LEU HD13 1 1
1 944 1 1 60 LEU HD21 H 4.182 3.574 -7.697 1.00 . A A . 69 LEU HD21 1 1
1 945 1 1 60 LEU HD22 H 4.660 4.708 -8.960 1.00 . A A . 69 LEU HD22 1 1
1 946 1 1 60 LEU HD23 H 2.971 4.230 -8.798 1.00 . A A . 69 LEU HD23 1 1
1 947 1 1 60 LEU HG H 3.252 6.450 -7.845 1.00 . A A . 69 LEU HG 1 1
1 948 1 1 60 LEU N N 0.702 6.517 -7.110 1.00 . A A . 69 LEU N 1 1
1 949 1 1 60 LEU O O 0.026 3.224 -6.102 1.00 . A A . 69 LEU O 1 1
1 950 1 1 61 LYS C C -2.585 4.400 -4.688 1.00 . A A . 70 LYS C 1 1
1 951 1 1 61 LYS CA C -1.207 4.496 -4.021 1.00 . A A . 70 LYS CA 1 1
1 952 1 1 61 LYS CB C -1.300 5.365 -2.766 1.00 . A A . 70 LYS CB 1 1
1 953 1 1 61 LYS CD C -0.027 4.749 -0.698 1.00 . A A . 70 LYS CD 1 1
1 954 1 1 61 LYS CE C 1.007 5.369 0.245 1.00 . A A . 70 LYS CE 1 1
1 955 1 1 61 LYS CG C 0.064 5.421 -2.070 1.00 . A A . 70 LYS CG 1 1
1 956 1 1 61 LYS H H -0.021 6.065 -4.907 1.00 . A A . 70 LYS H 1 1
1 957 1 1 61 LYS HA H -0.865 3.507 -3.754 1.00 . A A . 70 LYS HA 1 1
1 958 1 1 61 LYS HB2 H -1.601 6.364 -3.045 1.00 . A A . 70 LYS HB2 1 1
1 959 1 1 61 LYS HB3 H -2.030 4.945 -2.091 1.00 . A A . 70 LYS HB3 1 1
1 960 1 1 61 LYS HD2 H -1.018 4.893 -0.292 1.00 . A A . 70 LYS HD2 1 1
1 961 1 1 61 LYS HD3 H 0.170 3.693 -0.800 1.00 . A A . 70 LYS HD3 1 1
1 962 1 1 61 LYS HE2 H 1.989 4.996 -0.003 1.00 . A A . 70 LYS HE2 1 1
1 963 1 1 61 LYS HE3 H 0.993 6.444 0.138 1.00 . A A . 70 LYS HE3 1 1
1 964 1 1 61 LYS HG2 H 0.798 4.908 -2.675 1.00 . A A . 70 LYS HG2 1 1
1 965 1 1 61 LYS HG3 H 0.361 6.452 -1.945 1.00 . A A . 70 LYS HG3 1 1
1 966 1 1 61 LYS HZ1 H -0.127 5.575 1.981 1.00 . A A . 70 LYS HZ1 1 1
1 967 1 1 61 LYS HZ2 H 1.501 5.196 2.261 1.00 . A A . 70 LYS HZ2 1 1
1 968 1 1 61 LYS HZ3 H 0.435 3.996 1.706 1.00 . A A . 70 LYS HZ3 1 1
1 969 1 1 61 LYS N N -0.249 5.112 -4.985 1.00 . A A . 70 LYS N 1 1
1 970 1 1 61 LYS NZ N 0.679 5.007 1.654 1.00 . A A . 70 LYS NZ 1 1
1 971 1 1 61 LYS O O -3.280 3.410 -4.552 1.00 . A A . 70 LYS O 1 1
1 972 1 1 62 LYS C C -4.247 4.397 -7.293 1.00 . A A . 71 LYS C 1 1
1 973 1 1 62 LYS CA C -4.290 5.403 -6.129 1.00 . A A . 71 LYS CA 1 1
1 974 1 1 62 LYS CB C -4.580 6.804 -6.680 1.00 . A A . 71 LYS CB 1 1
1 975 1 1 62 LYS CD C -6.477 7.823 -7.951 1.00 . A A . 71 LYS CD 1 1
1 976 1 1 62 LYS CE C -7.853 8.467 -7.758 1.00 . A A . 71 LYS CE 1 1
1 977 1 1 62 LYS CG C -6.088 7.057 -6.685 1.00 . A A . 71 LYS CG 1 1
1 978 1 1 62 LYS H H -2.382 6.197 -5.527 1.00 . A A . 71 LYS H 1 1
1 979 1 1 62 LYS HA H -5.068 5.120 -5.434 1.00 . A A . 71 LYS HA 1 1
1 980 1 1 62 LYS HB2 H -4.094 7.542 -6.058 1.00 . A A . 71 LYS HB2 1 1
1 981 1 1 62 LYS HB3 H -4.201 6.878 -7.689 1.00 . A A . 71 LYS HB3 1 1
1 982 1 1 62 LYS HD2 H -5.742 8.592 -8.146 1.00 . A A . 71 LYS HD2 1 1
1 983 1 1 62 LYS HD3 H -6.515 7.141 -8.787 1.00 . A A . 71 LYS HD3 1 1
1 984 1 1 62 LYS HE2 H -8.602 7.868 -8.253 1.00 . A A . 71 LYS HE2 1 1
1 985 1 1 62 LYS HE3 H -8.078 8.527 -6.704 1.00 . A A . 71 LYS HE3 1 1
1 986 1 1 62 LYS HG2 H -6.611 6.113 -6.658 1.00 . A A . 71 LYS HG2 1 1
1 987 1 1 62 LYS HG3 H -6.354 7.642 -5.818 1.00 . A A . 71 LYS HG3 1 1
1 988 1 1 62 LYS HZ1 H -8.781 10.279 -8.202 1.00 . A A . 71 LYS HZ1 1 1
1 989 1 1 62 LYS HZ2 H -7.647 9.783 -9.361 1.00 . A A . 71 LYS HZ2 1 1
1 990 1 1 62 LYS HZ3 H -7.119 10.414 -7.875 1.00 . A A . 71 LYS HZ3 1 1
1 991 1 1 62 LYS N N -2.971 5.420 -5.425 1.00 . A A . 71 LYS N 1 1
1 992 1 1 62 LYS NZ N -7.849 9.839 -8.343 1.00 . A A . 71 LYS NZ 1 1
1 993 1 1 62 LYS O O -5.272 4.027 -7.837 1.00 . A A . 71 LYS O 1 1
1 994 1 1 63 GLU C C -3.626 1.666 -8.439 1.00 . A A . 72 GLU C 1 1
1 995 1 1 63 GLU CA C -2.930 2.984 -8.801 1.00 . A A . 72 GLU CA 1 1
1 996 1 1 63 GLU CB C -1.443 2.719 -9.067 1.00 . A A . 72 GLU CB 1 1
1 997 1 1 63 GLU CD C 0.452 3.293 -10.600 1.00 . A A . 72 GLU CD 1 1
1 998 1 1 63 GLU CG C -1.073 3.203 -10.472 1.00 . A A . 72 GLU CG 1 1
1 999 1 1 63 GLU H H -2.260 4.277 -7.222 1.00 . A A . 72 GLU H 1 1
1 1000 1 1 63 GLU HA H -3.384 3.399 -9.687 1.00 . A A . 72 GLU HA 1 1
1 1001 1 1 63 GLU HB2 H -0.848 3.248 -8.337 1.00 . A A . 72 GLU HB2 1 1
1 1002 1 1 63 GLU HB3 H -1.246 1.661 -8.990 1.00 . A A . 72 GLU HB3 1 1
1 1003 1 1 63 GLU HG2 H -1.456 2.507 -11.205 1.00 . A A . 72 GLU HG2 1 1
1 1004 1 1 63 GLU HG3 H -1.505 4.178 -10.643 1.00 . A A . 72 GLU HG3 1 1
1 1005 1 1 63 GLU N N -3.064 3.959 -7.676 1.00 . A A . 72 GLU N 1 1
1 1006 1 1 63 GLU O O -4.505 1.209 -9.148 1.00 . A A . 72 GLU O 1 1
1 1007 1 1 63 GLU OE1 O 1.066 2.275 -10.878 1.00 . A A . 72 GLU OE1 1 1
1 1008 1 1 63 GLU OE2 O 0.981 4.379 -10.418 1.00 . A A . 72 GLU OE2 1 1
1 1009 1 1 64 LYS C C -5.197 0.046 -6.214 1.00 . A A . 73 LYS C 1 1
1 1010 1 1 64 LYS CA C -3.872 -0.237 -6.930 1.00 . A A . 73 LYS CA 1 1
1 1011 1 1 64 LYS CB C -2.929 -0.997 -5.989 1.00 . A A . 73 LYS CB 1 1
1 1012 1 1 64 LYS CD C -3.915 -3.290 -6.192 1.00 . A A . 73 LYS CD 1 1
1 1013 1 1 64 LYS CE C -4.192 -4.246 -7.355 1.00 . A A . 73 LYS CE 1 1
1 1014 1 1 64 LYS CG C -2.703 -2.415 -6.524 1.00 . A A . 73 LYS CG 1 1
1 1015 1 1 64 LYS H H -2.528 1.445 -6.792 1.00 . A A . 73 LYS H 1 1
1 1016 1 1 64 LYS HA H -4.062 -0.837 -7.808 1.00 . A A . 73 LYS HA 1 1
1 1017 1 1 64 LYS HB2 H -1.983 -0.479 -5.932 1.00 . A A . 73 LYS HB2 1 1
1 1018 1 1 64 LYS HB3 H -3.369 -1.053 -5.005 1.00 . A A . 73 LYS HB3 1 1
1 1019 1 1 64 LYS HD2 H -3.712 -3.859 -5.297 1.00 . A A . 73 LYS HD2 1 1
1 1020 1 1 64 LYS HD3 H -4.779 -2.663 -6.032 1.00 . A A . 73 LYS HD3 1 1
1 1021 1 1 64 LYS HE2 H -4.277 -3.682 -8.272 1.00 . A A . 73 LYS HE2 1 1
1 1022 1 1 64 LYS HE3 H -3.380 -4.953 -7.441 1.00 . A A . 73 LYS HE3 1 1
1 1023 1 1 64 LYS HG2 H -2.568 -2.377 -7.596 1.00 . A A . 73 LYS HG2 1 1
1 1024 1 1 64 LYS HG3 H -1.822 -2.836 -6.065 1.00 . A A . 73 LYS HG3 1 1
1 1025 1 1 64 LYS HZ1 H -6.261 -4.310 -7.114 1.00 . A A . 73 LYS HZ1 1 1
1 1026 1 1 64 LYS HZ2 H -5.421 -5.449 -6.178 1.00 . A A . 73 LYS HZ2 1 1
1 1027 1 1 64 LYS HZ3 H -5.605 -5.694 -7.849 1.00 . A A . 73 LYS HZ3 1 1
1 1028 1 1 64 LYS N N -3.238 1.054 -7.343 1.00 . A A . 73 LYS N 1 1
1 1029 1 1 64 LYS NZ N -5.466 -4.980 -7.105 1.00 . A A . 73 LYS NZ 1 1
1 1030 1 1 64 LYS O O -6.234 -0.469 -6.593 1.00 . A A . 73 LYS O 1 1
1 1031 1 1 65 GLY C C -6.091 1.507 -2.980 1.00 . A A . 74 GLY C 1 1
1 1032 1 1 65 GLY CA C -6.424 1.184 -4.439 1.00 . A A . 74 GLY CA 1 1
1 1033 1 1 65 GLY H H -4.320 1.262 -4.903 1.00 . A A . 74 GLY H 1 1
1 1034 1 1 65 GLY HA2 H -6.904 2.037 -4.897 1.00 . A A . 74 GLY HA2 1 1
1 1035 1 1 65 GLY HA3 H -7.091 0.335 -4.472 1.00 . A A . 74 GLY HA3 1 1
1 1036 1 1 65 GLY N N -5.169 0.861 -5.184 1.00 . A A . 74 GLY N 1 1
1 1037 1 1 65 GLY O O -6.427 0.758 -2.082 1.00 . A A . 74 GLY O 1 1
1 1038 1 1 66 LEU C C -5.396 4.518 -1.207 1.00 . A A . 75 LEU C 1 1
1 1039 1 1 66 LEU CA C -5.092 3.031 -1.350 1.00 . A A . 75 LEU CA 1 1
1 1040 1 1 66 LEU CB C -3.596 2.792 -1.064 1.00 . A A . 75 LEU CB 1 1
1 1041 1 1 66 LEU CD1 C -1.516 1.652 -1.852 1.00 . A A . 75 LEU CD1 1 1
1 1042 1 1 66 LEU CD2 C -3.591 0.316 -1.472 1.00 . A A . 75 LEU CD2 1 1
1 1043 1 1 66 LEU CG C -3.043 1.666 -1.946 1.00 . A A . 75 LEU CG 1 1
1 1044 1 1 66 LEU H H -5.204 3.218 -3.488 1.00 . A A . 75 LEU H 1 1
1 1045 1 1 66 LEU HA H -5.692 2.471 -0.647 1.00 . A A . 75 LEU HA 1 1
1 1046 1 1 66 LEU HB2 H -3.048 3.700 -1.263 1.00 . A A . 75 LEU HB2 1 1
1 1047 1 1 66 LEU HB3 H -3.472 2.524 -0.026 1.00 . A A . 75 LEU HB3 1 1
1 1048 1 1 66 LEU HD11 H -1.138 2.654 -1.989 1.00 . A A . 75 LEU HD11 1 1
1 1049 1 1 66 LEU HD12 H -1.114 1.008 -2.620 1.00 . A A . 75 LEU HD12 1 1
1 1050 1 1 66 LEU HD13 H -1.218 1.285 -0.881 1.00 . A A . 75 LEU HD13 1 1
1 1051 1 1 66 LEU HD21 H -4.361 0.478 -0.733 1.00 . A A . 75 LEU HD21 1 1
1 1052 1 1 66 LEU HD22 H -2.791 -0.266 -1.036 1.00 . A A . 75 LEU HD22 1 1
1 1053 1 1 66 LEU HD23 H -4.006 -0.218 -2.313 1.00 . A A . 75 LEU HD23 1 1
1 1054 1 1 66 LEU HG H -3.335 1.839 -2.969 1.00 . A A . 75 LEU HG 1 1
1 1055 1 1 66 LEU N N -5.446 2.627 -2.744 1.00 . A A . 75 LEU N 1 1
1 1056 1 1 66 LEU O O -5.998 4.947 -0.240 1.00 . A A . 75 LEU O 1 1
1 1057 1 1 67 PHE C C -6.574 7.088 -2.832 1.00 . A A . 76 PHE C 1 1
1 1058 1 1 67 PHE CA C -5.247 6.761 -2.127 1.00 . A A . 76 PHE CA 1 1
1 1059 1 1 67 PHE CB C -4.092 7.494 -2.813 1.00 . A A . 76 PHE CB 1 1
1 1060 1 1 67 PHE CD1 C -2.783 7.025 -0.694 1.00 . A A . 76 PHE CD1 1 1
1 1061 1 1 67 PHE CD2 C -2.270 9.020 -1.973 1.00 . A A . 76 PHE CD2 1 1
1 1062 1 1 67 PHE CE1 C -1.793 7.367 0.234 1.00 . A A . 76 PHE CE1 1 1
1 1063 1 1 67 PHE CE2 C -1.280 9.361 -1.046 1.00 . A A . 76 PHE CE2 1 1
1 1064 1 1 67 PHE CG C -3.024 7.853 -1.801 1.00 . A A . 76 PHE CG 1 1
1 1065 1 1 67 PHE CZ C -1.042 8.535 0.058 1.00 . A A . 76 PHE CZ 1 1
1 1066 1 1 67 PHE H H -4.506 4.935 -2.948 1.00 . A A . 76 PHE H 1 1
1 1067 1 1 67 PHE HA H -5.304 7.063 -1.100 1.00 . A A . 76 PHE HA 1 1
1 1068 1 1 67 PHE HB2 H -3.663 6.851 -3.570 1.00 . A A . 76 PHE HB2 1 1
1 1069 1 1 67 PHE HB3 H -4.467 8.388 -3.276 1.00 . A A . 76 PHE HB3 1 1
1 1070 1 1 67 PHE HD1 H -3.360 6.120 -0.560 1.00 . A A . 76 PHE HD1 1 1
1 1071 1 1 67 PHE HD2 H -2.450 9.657 -2.824 1.00 . A A . 76 PHE HD2 1 1
1 1072 1 1 67 PHE HE1 H -1.609 6.730 1.086 1.00 . A A . 76 PHE HE1 1 1
1 1073 1 1 67 PHE HE2 H -0.700 10.262 -1.185 1.00 . A A . 76 PHE HE2 1 1
1 1074 1 1 67 PHE HZ H -0.278 8.799 0.775 1.00 . A A . 76 PHE HZ 1 1
1 1075 1 1 67 PHE N N -4.986 5.305 -2.178 1.00 . A A . 76 PHE N 1 1
1 1076 1 1 67 PHE O O -6.876 6.450 -3.830 1.00 . A A . 76 PHE O 1 1
1 1077 1 1 67 PHE OXT O -7.266 7.974 -2.359 1.00 . A A . 76 PHE OXT 1 1
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