NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
528995 |
2ldj   |
17669 | cing | 4-filtered-FRED | STAR | entry | full | 255 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ldj
# This FRED archive file contains, for PDB entry <2ldj>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2ldj
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2ldj
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2241.48
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 $Trp_Cage_mini_protein A . 1 1
stop_
save_
save_Trp_Cage_mini_protein
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Trp Cage mini protein"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code NLYIQWLKDXGPSSGRPPPS
_Entity.Number_of_monomers 20
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ASN . 1 1
2 LEU . 1 1
3 TYR . 1 1
4 ILE . 1 1
5 GLN . 1 1
6 TRP . 1 1
7 LEU . 1 1
8 LYS . 1 1
9 ASP . 1 1
10 . $. 1 1
11 GLY . 1 1
12 PRO . 1 1
13 SER . 1 1
14 SER . 1 1
15 GLY . 1 1
16 ARG . 1 1
17 PRO . 1 1
18 PRO . 1 1
19 PRO . 1 1
20 SER . 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
ASN 1 1 1 1
LEU 2 2 1 1
TYR 3 3 1 1
ILE 4 4 1 1
GLN 5 5 1 1
TRP 6 6 1 1
LEU 7 7 1 1
LYS 8 8 1 1
ASP 9 9 1 1
. 10 10 1 1
GLY 11 11 1 1
PRO 12 12 1 1
SER 13 13 1 1
SER 14 14 1 1
GLY 15 15 1 1
ARG 16 16 1 1
PRO 17 17 1 1
PRO 18 18 1 1
PRO 19 19 1 1
SER 20 20 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 2 . OR 1 1
21 2 . 3 . 1 1
21 3 . 4 . 1 1
21 4 . . . 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 2 . OR 1 1
28 2 . 3 . 1 1
28 3 . . . 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 2 . OR 1 1
45 2 . 3 . 1 1
45 3 . . . 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 2 . OR 1 1
66 2 . 3 . 1 1
66 3 . . . 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 2 . OR 1 1
89 2 . 3 . 1 1
89 3 . . . 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 2 . OR 1 1
124 2 . 3 . 1 1
124 3 . . . 1 1
125 1 . . . 1 1
126 1 2 . OR 1 1
126 2 . 3 . 1 1
126 3 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 2 . OR 1 1
131 2 . 3 . 1 1
131 3 . . . 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 2 . OR 1 1
179 2 . 3 . 1 1
179 3 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 2 . OR 1 1
212 2 . 3 . 1 1
212 3 . . . 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 2 . OR 1 1
221 2 . 3 . 1 1
221 3 . . . 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 ASN HA . 1 . HA 1 1
1 1 2 1 1 2 LEU H . 2 . HN 1 1
2 1 1 1 1 1 ASN HA . 1 . HA 1 1
2 1 1 1 1 19 PRO HA . 19 . HA 1 1
2 1 2 1 1 3 TYR H . 3 . HN 1 1
3 1 1 1 1 1 ASN HB2 . 1 . HB2 1 1
3 1 2 1 1 2 LEU H . 2 . HN 1 1
4 1 1 1 1 1 ASN HB2 . 1 . HB2 1 1
4 1 2 1 1 2 LEU QD . 2 . HD11 1 1
4 1 2 1 1 4 ILE MD . 4 . HD11 1 1
5 1 1 1 1 1 ASN HB2 . 1 . HB2 1 1
5 1 2 1 1 4 ILE H . 4 . HN 1 1
6 1 1 1 1 1 ASN HB2 . 1 . HB2 1 1
6 1 2 1 1 4 ILE HB . 4 . HB 1 1
7 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
7 1 1 1 1 16 ARG QD . 16 . HD1 1 1
7 1 2 1 1 2 LEU H . 2 . HN 1 1
8 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
8 1 2 1 1 2 LEU HB3 . 2 . HB2 1 1
8 1 2 1 1 2 LEU HG . 2 . HG 1 1
9 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
9 1 1 1 1 16 ARG QD . 16 . HD1 1 1
9 1 2 1 1 3 TYR H . 3 . HN 1 1
10 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
10 1 2 1 1 4 ILE H . 4 . HN 1 1
11 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
11 1 1 1 1 16 ARG QD . 16 . HD1 1 1
11 1 2 1 1 4 ILE MD . 4 . HD11 1 1
12 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
12 1 1 1 1 16 ARG QD . 16 . HD1 1 1
12 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
13 1 1 1 1 1 ASN HB3 . 1 . HB1 1 1
13 1 2 1 1 16 ARG QD . 16 . HD1 1 1
14 1 1 1 1 1 ASN HD21 . 1 . HD21 1 1
14 1 2 1 1 4 ILE MD . 4 . HD11 1 1
15 1 1 1 1 1 ASN HD22 . 1 . HD22 1 1
15 1 2 1 1 4 ILE MD . 4 . HD11 1 1
16 1 1 1 1 1 ASN HD22 . 1 . HD22 1 1
16 1 2 1 1 4 ILE HG12 . 4 . HG12 1 1
17 1 1 1 1 1 ASN HD22 . 1 . HD22 1 1
17 1 2 1 1 4 ILE HG13 . 4 . HG11 1 1
18 1 1 1 1 2 LEU H . 2 . HN 1 1
18 1 2 1 1 3 TYR H . 3 . HN 1 1
19 1 1 1 1 2 LEU H . 2 . HN 1 1
19 1 2 1 1 3 TYR QB . 3 . HB1 1 1
20 1 1 1 1 2 LEU H . 2 . HN 1 1
20 1 2 1 1 4 ILE MD . 4 . HD11 1 1
21 2 1 1 1 2 LEU HA . 2 . HA 1 1
21 2 1 1 1 6 TRP HA . 6 . HA 1 1
21 2 2 1 1 5 GLN QG . 5 . HG2 1 1
21 3 1 1 1 2 LEU HA . 2 . HA 1 1
21 3 2 1 1 19 PRO QB . 19 . HB1 1 1
21 4 1 1 1 6 TRP HA . 6 . HA 1 1
21 4 2 1 1 10 . HG2 . 10 . HG2 1 1
22 1 1 1 1 2 LEU HA . 2 . HA 1 1
22 1 2 1 1 3 TYR H . 3 . HN 1 1
23 1 1 1 1 2 LEU HA . 2 . HA 1 1
23 1 2 1 1 3 TYR QB . 3 . HB1 1 1
24 1 1 1 1 2 LEU HA . 2 . HA 1 1
24 1 2 1 1 4 ILE H . 4 . HN 1 1
25 1 1 1 1 2 LEU HA . 2 . HA 1 1
25 1 1 1 1 6 TRP HA . 6 . HA 1 1
25 1 2 1 1 4 ILE MD . 4 . HD11 1 1
26 1 1 1 1 2 LEU HA . 2 . HA 1 1
26 1 1 1 1 6 TRP HA . 6 . HA 1 1
26 1 1 1 1 20 SER HA . 20 . HA 1 1
26 1 2 1 1 5 GLN H . 5 . HN 1 1
27 1 1 1 1 2 LEU HA . 2 . HA 1 1
27 1 1 1 1 6 TRP HA . 6 . HA 1 1
27 1 2 1 1 5 GLN QG . 5 . HG1 1 1
27 1 2 1 1 18 PRO HA . 18 . HA 1 1
28 2 1 1 1 2 LEU HA . 2 . HA 1 1
28 2 1 1 1 6 TRP HA . 6 . HA 1 1
28 2 2 1 1 19 PRO QD . 19 . HD2 1 1
28 3 1 1 1 6 TRP HA . 6 . HA 1 1
28 3 2 1 1 9 ASP QB . 9 . HB2 1 1
29 1 1 1 1 2 LEU HA . 2 . HA 1 1
29 1 1 1 1 15 GLY QA . 15 . HA1 1 1
29 1 2 1 1 16 ARG H . 16 . HN 1 1
30 1 1 1 1 2 LEU HB2 . 2 . HB1 1 1
30 1 1 1 1 8 LYS HG2 . 8 . HG1 1 1
30 1 2 1 1 3 TYR H . 3 . HN 1 1
31 1 1 1 1 2 LEU HB2 . 2 . HB1 1 1
31 1 1 1 1 8 LYS HG2 . 8 . HG1 1 1
31 1 2 1 1 3 TYR QD . 3 . HD1 1 1
32 1 1 1 1 2 LEU HB2 . 2 . HB1 1 1
32 1 1 1 1 4 ILE HG13 . 4 . HG11 1 1
32 1 2 1 1 5 GLN H . 5 . HN 1 1
33 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
33 1 1 1 1 2 LEU HG . 2 . HG 1 1
33 1 1 1 1 19 PRO QG . 19 . HG1 1 1
33 1 2 1 1 3 TYR H . 3 . HN 1 1
34 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
34 1 1 1 1 2 LEU HG . 2 . HG 1 1
34 1 2 1 1 4 ILE H . 4 . HN 1 1
35 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
35 1 1 1 1 19 PRO QG . 19 . HG1 1 1
35 1 2 1 1 6 TRP HB2 . 6 . HB1 1 1
36 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
36 1 1 1 1 19 PRO QG . 19 . HG1 1 1
36 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
37 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
37 1 1 1 1 19 PRO QG . 19 . HG1 1 1
37 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
38 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
38 1 1 1 1 19 PRO QG . 19 . HG1 1 1
38 1 2 1 1 16 ARG H . 16 . HN 1 1
39 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
39 1 1 1 1 19 PRO QG . 19 . HG1 1 1
39 1 2 1 1 16 ARG QD . 16 . HD1 1 1
40 1 1 1 1 2 LEU HB3 . 2 . HB2 1 1
40 1 1 1 1 19 PRO QG . 19 . HG1 1 1
40 1 2 1 1 16 ARG HE . 16 . HE 1 1
41 1 1 1 1 2 LEU QD . 2 . HD11 1 1
41 1 1 1 1 4 ILE MD . 4 . HD11 1 1
41 1 2 1 1 3 TYR H . 3 . HN 1 1
42 1 1 1 1 2 LEU QD . 2 . HD11 1 1
42 1 2 1 1 3 TYR QB . 3 . HB1 1 1
43 1 1 1 1 2 LEU QD . 2 . HD11 1 1
43 1 1 1 1 4 ILE MD . 4 . HD11 1 1
43 1 2 1 1 3 TYR QD . 3 . HD1 1 1
44 1 1 1 1 2 LEU QD . 2 . HD11 1 1
44 1 1 1 1 4 ILE MD . 4 . HD11 1 1
44 1 2 1 1 3 TYR QE . 3 . HE1 1 1
45 2 1 1 1 2 LEU QD . 2 . HD11 1 1
45 2 1 1 1 4 ILE MD . 4 . HD11 1 1
45 2 2 1 1 5 GLN QE . 5 . HE22 1 1
45 3 1 1 1 4 ILE MD . 4 . HD11 1 1
45 3 2 1 1 6 TRP HE3 . 6 . HE3 1 1
46 1 1 1 1 2 LEU QD . 2 . HD11 1 1
46 1 1 1 1 4 ILE MD . 4 . HD11 1 1
46 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
47 1 1 1 1 2 LEU QD . 2 . HD11 1 1
47 1 1 1 1 4 ILE MD . 4 . HD11 1 1
47 1 2 1 1 7 LEU H . 7 . HN 1 1
48 1 1 1 1 2 LEU QD . 2 . HD11 1 1
48 1 1 1 1 4 ILE MD . 4 . HD11 1 1
48 1 2 1 1 7 LEU HA . 7 . HA 1 1
49 1 1 1 1 2 LEU QD . 2 . HD11 1 1
49 1 1 1 1 4 ILE MD . 4 . HD11 1 1
49 1 2 1 1 7 LEU HG . 7 . HG 1 1
50 1 1 1 1 2 LEU QD . 2 . HD11 1 1
50 1 1 1 1 4 ILE MD . 4 . HD11 1 1
50 1 2 1 1 8 LYS H . 8 . HN 1 1
51 1 1 1 1 2 LEU QD . 2 . HD11 1 1
51 1 2 1 1 19 PRO QB . 19 . HB2 1 1
52 1 1 1 1 2 LEU QD . 2 . HD11 1 1
52 1 2 1 1 20 SER H . 20 . HN 1 1
53 1 1 1 1 2 LEU HG . 2 . HG 1 1
53 1 2 1 1 3 TYR H . 3 . HN 1 1
54 1 1 1 1 2 LEU HG . 2 . HG 1 1
54 1 1 1 1 19 PRO QG . 19 . HG2 1 1
54 1 2 1 1 3 TYR HA . 3 . HA 1 1
55 1 1 1 1 2 LEU HG . 2 . HG 1 1
55 1 2 1 1 3 TYR QB . 3 . HB1 1 1
56 1 1 1 1 2 LEU HG . 2 . HG 1 1
56 1 1 1 1 16 ARG QG . 16 . HG1 1 1
56 1 2 1 1 18 PRO HA . 18 . HA 1 1
57 1 1 1 1 2 LEU HG . 2 . HG 1 1
57 1 1 1 1 19 PRO QG . 19 . HG2 1 1
57 1 2 1 1 20 SER H . 20 . HN 1 1
58 1 1 1 1 3 TYR H . 3 . HN 1 1
58 1 2 1 1 4 ILE H . 4 . HN 1 1
59 1 1 1 1 3 TYR H . 3 . HN 1 1
59 1 2 1 1 4 ILE HB . 4 . HB 1 1
59 1 2 1 1 19 PRO QB . 19 . HB2 1 1
60 1 1 1 1 3 TYR H . 3 . HN 1 1
60 1 2 1 1 4 ILE MD . 4 . HD11 1 1
61 1 1 1 1 3 TYR H . 3 . HN 1 1
61 1 2 1 1 5 GLN H . 5 . HN 1 1
62 1 1 1 1 3 TYR HA . 3 . HA 1 1
62 1 2 1 1 6 TRP H . 6 . HN 1 1
63 1 1 1 1 3 TYR HA . 3 . HA 1 1
63 1 2 1 1 6 TRP HB2 . 6 . HB1 1 1
64 1 1 1 1 3 TYR HA . 3 . HA 1 1
64 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
65 1 1 1 1 3 TYR HA . 3 . HA 1 1
65 1 1 1 1 14 SER HA . 14 . HA 1 1
65 1 2 1 1 7 LEU H . 7 . HN 1 1
66 2 1 1 1 3 TYR HA . 3 . HA 1 1
66 2 2 1 1 19 PRO QD . 19 . HD2 1 1
66 3 1 1 1 8 LYS QE . 8 . HE1 1 1
66 3 2 1 1 14 SER HA . 14 . HA 1 1
67 1 1 1 1 3 TYR QB . 3 . HB1 1 1
67 1 2 1 1 4 ILE H . 4 . HN 1 1
68 1 1 1 1 3 TYR QB . 3 . HB1 1 1
68 1 1 1 1 6 TRP HB3 . 6 . HB2 1 1
68 1 1 1 1 19 PRO QD . 19 . HD1 1 1
68 1 2 1 1 6 TRP HH2 . 6 . HH2 1 1
69 1 1 1 1 3 TYR QB . 3 . HB1 1 1
69 1 1 1 1 6 TRP HB3 . 6 . HB2 1 1
69 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
70 1 1 1 1 3 TYR QB . 3 . HB1 1 1
70 1 1 1 1 19 PRO QD . 19 . HD1 1 1
70 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
71 1 1 1 1 3 TYR QB . 3 . HB1 1 1
71 1 1 1 1 19 PRO QD . 19 . HD1 1 1
71 1 2 1 1 6 TRP HZ2 . 6 . HZ2 1 1
72 1 1 1 1 3 TYR QB . 3 . HB1 1 1
72 1 1 1 1 11 GLY HA2 . 11 . HA1 1 1
72 1 2 1 1 13 SER H . 13 . HN 1 1
73 1 1 1 1 3 TYR QD . 3 . HD1 1 1
73 1 2 1 1 4 ILE H . 4 . HN 1 1
74 1 1 1 1 3 TYR QD . 3 . HD1 1 1
74 1 2 1 1 4 ILE HA . 4 . HA 1 1
75 1 1 1 1 3 TYR QD . 3 . HD1 1 1
75 1 2 1 1 4 ILE HG12 . 4 . HG12 1 1
75 1 2 1 1 18 PRO QG . 18 . HG1 1 1
76 1 1 1 1 3 TYR QD . 3 . HD1 1 1
76 1 2 1 1 6 TRP HB2 . 6 . HB1 1 1
77 1 1 1 1 3 TYR QD . 3 . HD1 1 1
77 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
77 1 2 1 1 16 ARG HE . 16 . HE 1 1
78 1 1 1 1 3 TYR QD . 3 . HD1 1 1
78 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
78 1 2 1 1 18 PRO HB3 . 18 . HB2 1 1
79 1 1 1 1 3 TYR QD . 3 . HD1 1 1
79 1 2 1 1 7 LEU QD . 7 . HD11 1 1
80 1 1 1 1 3 TYR QD . 3 . HD1 1 1
80 1 2 1 1 7 LEU HG . 7 . HG 1 1
80 1 2 1 1 8 LYS QD . 8 . HD1 1 1
81 1 1 1 1 3 TYR QD . 3 . HD1 1 1
81 1 2 1 1 19 PRO QB . 19 . HB2 1 1
82 1 1 1 1 3 TYR QD . 3 . HD1 1 1
82 1 2 1 1 19 PRO QD . 19 . HD2 1 1
83 1 1 1 1 3 TYR QD . 3 . HD1 1 1
83 1 2 1 1 19 PRO QG . 19 . HG2 1 1
84 1 1 1 1 3 TYR QE . 3 . HE1 1 1
84 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
85 1 1 1 1 3 TYR QE . 3 . HE1 1 1
85 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
86 1 1 1 1 3 TYR QE . 3 . HE1 1 1
86 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
86 1 2 1 1 18 PRO HB3 . 18 . HB2 1 1
87 1 1 1 1 3 TYR QE . 3 . HE1 1 1
87 1 2 1 1 7 LEU QD . 7 . HD11 1 1
88 1 1 1 1 3 TYR QE . 3 . HE1 1 1
88 1 2 1 1 7 LEU HG . 7 . HG 1 1
89 2 1 1 1 3 TYR QE . 3 . HE1 1 1
89 2 2 1 1 19 PRO QB . 19 . HB1 1 1
89 3 1 1 1 10 . HB2 . 10 . HB2 1 1
89 3 2 1 1 10 . HE22 . 10 . HE22 1 1
90 1 1 1 1 3 TYR QE . 3 . HE1 1 1
90 1 2 1 1 10 . HB3 . 10 . HB1 1 1
90 1 2 1 1 16 ARG QB . 16 . HB1 1 1
91 1 1 1 1 3 TYR QE . 3 . HE1 1 1
91 1 2 1 1 18 PRO HB2 . 18 . HB1 1 1
92 1 1 1 1 3 TYR QE . 3 . HE1 1 1
92 1 2 1 1 19 PRO QD . 19 . HD2 1 1
93 1 1 1 1 4 ILE H . 4 . HN 1 1
93 1 2 1 1 5 GLN H . 5 . HN 1 1
94 1 1 1 1 4 ILE H . 4 . HN 1 1
94 1 1 1 1 14 SER H . 14 . HN 1 1
94 1 2 1 1 12 PRO HA . 12 . HA 1 1
95 1 1 1 1 4 ILE HA . 4 . HA 1 1
95 1 2 1 1 5 GLN H . 5 . HN 1 1
96 1 1 1 1 4 ILE HA . 4 . HA 1 1
96 1 2 1 1 7 LEU H . 7 . HN 1 1
97 1 1 1 1 4 ILE HA . 4 . HA 1 1
97 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
97 1 2 1 1 18 PRO HB3 . 18 . HB2 1 1
98 1 1 1 1 4 ILE HA . 4 . HA 1 1
98 1 2 1 1 7 LEU HB3 . 7 . HB2 1 1
99 1 1 1 1 4 ILE HA . 4 . HA 1 1
99 1 2 1 1 7 LEU HG . 7 . HG 1 1
99 1 2 1 1 8 LYS QD . 8 . HD1 1 1
99 1 2 1 1 8 LYS HG3 . 8 . HG2 1 1
100 1 1 1 1 4 ILE HA . 4 . HA 1 1
100 1 2 1 1 8 LYS H . 8 . HN 1 1
101 1 1 1 1 4 ILE HB . 4 . HB 1 1
101 1 2 1 1 5 GLN H . 5 . HN 1 1
102 1 1 1 1 4 ILE HB . 4 . HB 1 1
102 1 2 1 1 8 LYS QE . 8 . HE1 1 1
103 1 1 1 1 4 ILE MD . 4 . HD11 1 1
103 1 2 1 1 5 GLN H . 5 . HN 1 1
104 1 1 1 1 4 ILE MD . 4 . HD11 1 1
104 1 2 1 1 5 GLN HA . 5 . HA 1 1
105 1 1 1 1 4 ILE MD . 4 . HD11 1 1
105 1 2 1 1 5 GLN QG . 5 . HG2 1 1
106 1 1 1 1 4 ILE MD . 4 . HD11 1 1
106 1 2 1 1 6 TRP H . 6 . HN 1 1
106 1 2 1 1 20 SER H . 20 . HN 1 1
107 1 1 1 1 4 ILE MD . 4 . HD11 1 1
107 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
107 1 2 1 1 18 PRO HB3 . 18 . HB2 1 1
108 1 1 1 1 4 ILE MD . 4 . HD11 1 1
108 1 2 1 1 7 LEU HB3 . 7 . HB2 1 1
109 1 1 1 1 4 ILE HG12 . 4 . HG12 1 1
109 1 2 1 1 5 GLN H . 5 . HN 1 1
110 1 1 1 1 4 ILE HG12 . 4 . HG12 1 1
110 1 2 1 1 5 GLN QG . 5 . HG1 1 1
110 1 2 1 1 18 PRO HA . 18 . HA 1 1
111 1 1 1 1 4 ILE HG12 . 4 . HG12 1 1
111 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
111 1 2 1 1 18 PRO HB3 . 18 . HB2 1 1
112 1 1 1 1 4 ILE HG13 . 4 . HG11 1 1
112 1 2 1 1 5 GLN QG . 5 . HG2 1 1
113 1 1 1 1 5 GLN H . 5 . HN 1 1
113 1 2 1 1 6 TRP H . 6 . HN 1 1
114 1 1 1 1 5 GLN H . 5 . HN 1 1
114 1 2 1 1 7 LEU H . 7 . HN 1 1
115 1 1 1 1 5 GLN HA . 5 . HA 1 1
115 1 2 1 1 6 TRP H . 6 . HN 1 1
116 1 1 1 1 5 GLN HA . 5 . HA 1 1
116 1 2 1 1 7 LEU H . 7 . HN 1 1
117 1 1 1 1 5 GLN HA . 5 . HA 1 1
117 1 2 1 1 8 LYS H . 8 . HN 1 1
118 1 1 1 1 5 GLN HA . 5 . HA 1 1
118 1 2 1 1 8 LYS QD . 8 . HD1 1 1
119 1 1 1 1 5 GLN HA . 5 . HA 1 1
119 1 2 1 1 8 LYS HG2 . 8 . HG1 1 1
120 1 1 1 1 5 GLN HA . 5 . HA 1 1
120 1 2 1 1 8 LYS HG3 . 8 . HG2 1 1
121 1 1 1 1 5 GLN QB . 5 . HB1 1 1
121 1 2 1 1 6 TRP H . 6 . HN 1 1
122 1 1 1 1 5 GLN QB . 5 . HB1 1 1
122 1 2 1 1 6 TRP HA . 6 . HA 1 1
123 1 1 1 1 5 GLN QE . 5 . HE22 1 1
123 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1
123 1 2 1 1 7 LEU H . 7 . HN 1 1
124 2 1 1 1 5 GLN QE . 5 . HE22 1 1
124 2 2 1 1 8 LYS QB . 8 . HB1 1 1
124 3 1 1 1 6 TRP HE3 . 6 . HE3 1 1
124 3 2 1 1 7 LEU HB3 . 7 . HB2 1 1
125 1 1 1 1 5 GLN QE . 5 . HE22 1 1
125 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1
125 1 2 1 1 7 LEU QD . 7 . HD11 1 1
126 2 1 1 1 5 GLN QE . 5 . HE22 1 1
126 2 2 1 1 8 LYS QD . 8 . HD1 1 1
126 3 1 1 1 6 TRP HE3 . 6 . HE3 1 1
126 3 2 1 1 7 LEU HG . 7 . HG 1 1
127 1 1 1 1 5 GLN QE . 5 . HE22 1 1
127 1 2 1 1 8 LYS QE . 8 . HE1 1 1
127 1 2 1 1 19 PRO QD . 19 . HD2 1 1
128 1 1 1 1 5 GLN QG . 5 . HG1 1 1
128 1 2 1 1 6 TRP H . 6 . HN 1 1
128 1 2 1 1 20 SER H . 20 . HN 1 1
129 1 1 1 1 5 GLN QG . 5 . HG1 1 1
129 1 1 1 1 18 PRO HA . 18 . HA 1 1
129 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
130 1 1 1 1 5 GLN QG . 5 . HG2 1 1
130 1 1 1 1 12 PRO QG . 12 . HG1 1 1
130 1 1 1 1 19 PRO QB . 19 . HB1 1 1
130 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
131 2 1 1 1 5 GLN QG . 5 . HG1 1 1
131 2 2 1 1 8 LYS QE . 8 . HE1 1 1
131 3 1 1 1 18 PRO HA . 18 . HA 1 1
131 3 2 1 1 19 PRO QD . 19 . HD2 1 1
132 1 1 1 1 6 TRP H . 6 . HN 1 1
132 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
133 1 1 1 1 6 TRP H . 6 . HN 1 1
133 1 2 1 1 7 LEU H . 7 . HN 1 1
134 1 1 1 1 6 TRP HA . 6 . HA 1 1
134 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
135 1 1 1 1 6 TRP HA . 6 . HA 1 1
135 1 2 1 1 7 LEU H . 7 . HN 1 1
136 1 1 1 1 6 TRP HA . 6 . HA 1 1
136 1 2 1 1 9 ASP QB . 9 . HB1 1 1
137 1 1 1 1 6 TRP HB2 . 6 . HB1 1 1
137 1 2 1 1 7 LEU H . 7 . HN 1 1
138 1 1 1 1 6 TRP HB2 . 6 . HB1 1 1
138 1 2 1 1 16 ARG QG . 16 . HG1 1 1
138 1 2 1 1 17 PRO HB3 . 17 . HB2 1 1
138 1 2 1 1 19 PRO QG . 19 . HG2 1 1
139 1 1 1 1 6 TRP HB2 . 6 . HB1 1 1
139 1 2 1 1 19 PRO QD . 19 . HD2 1 1
140 1 1 1 1 6 TRP HB3 . 6 . HB2 1 1
140 1 1 1 1 19 PRO QD . 19 . HD1 1 1
140 1 2 1 1 7 LEU H . 7 . HN 1 1
141 1 1 1 1 6 TRP HB3 . 6 . HB2 1 1
141 1 2 1 1 7 LEU HA . 7 . HA 1 1
142 1 1 1 1 6 TRP HB3 . 6 . HB2 1 1
142 1 2 1 1 7 LEU QD . 7 . HD11 1 1
143 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
143 1 2 1 1 8 LYS QE . 8 . HE1 1 1
143 1 2 1 1 19 PRO QD . 19 . HD2 1 1
144 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
144 1 2 1 1 16 ARG QB . 16 . HB1 1 1
145 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
145 1 2 1 1 16 ARG QD . 16 . HD1 1 1
146 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
146 1 2 1 1 16 ARG QG . 16 . HG1 1 1
147 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
147 1 2 1 1 16 ARG QG . 16 . HG1 1 1
147 1 2 1 1 17 PRO HB3 . 17 . HB2 1 1
148 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
148 1 2 1 1 12 PRO QD . 12 . HD1 1 1
148 1 2 1 1 18 PRO QD . 18 . HD1 1 1
149 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
149 1 2 1 1 16 ARG H . 16 . HN 1 1
150 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
150 1 2 1 1 16 ARG QG . 16 . HG1 1 1
151 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
151 1 2 1 1 17 PRO HA . 17 . HA 1 1
152 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
152 1 2 1 1 18 PRO HA . 18 . HA 1 1
153 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
153 1 2 1 1 18 PRO QG . 18 . HG1 1 1
154 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1
154 1 2 1 1 7 LEU HA . 7 . HA 1 1
154 1 2 1 1 16 ARG QD . 16 . HD1 1 1
155 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
155 1 2 1 1 7 LEU QD . 7 . HD11 1 1
156 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
156 1 2 1 1 12 PRO HA . 12 . HA 1 1
157 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
157 1 2 1 1 12 PRO QD . 12 . HD2 1 1
157 1 2 1 1 17 PRO QD . 17 . HD1 1 1
158 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
158 1 2 1 1 12 PRO QD . 12 . HD1 1 1
158 1 2 1 1 18 PRO QD . 18 . HD1 1 1
159 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
159 1 2 1 1 12 PRO HG3 . 12 . HG2 1 1
160 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
160 1 2 1 1 12 PRO HA . 12 . HA 1 1
161 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
161 1 2 1 1 12 PRO HB2 . 12 . HB1 1 1
162 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
162 1 2 1 1 12 PRO QD . 12 . HD2 1 1
162 1 2 1 1 17 PRO QD . 17 . HD1 1 1
163 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
163 1 2 1 1 12 PRO QD . 12 . HD1 1 1
163 1 2 1 1 18 PRO QD . 18 . HD1 1 1
164 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
164 1 2 1 1 12 PRO HG3 . 12 . HG2 1 1
165 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
165 1 2 1 1 17 PRO HA . 17 . HA 1 1
166 1 1 1 1 6 TRP HZ2 . 6 . HZ2 1 1
166 1 2 1 1 18 PRO QG . 18 . HG1 1 1
167 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1
167 1 2 1 1 7 LEU QD . 7 . HD11 1 1
168 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1
168 1 2 1 1 7 LEU HG . 7 . HG 1 1
168 1 2 1 1 8 LYS QD . 8 . HD1 1 1
169 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1
169 1 2 1 1 8 LYS QE . 8 . HE1 1 1
169 1 2 1 1 19 PRO QD . 19 . HD2 1 1
170 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1
170 1 2 1 1 12 PRO QD . 12 . HD2 1 1
170 1 2 1 1 14 SER QB . 14 . HB1 1 1
170 1 2 1 1 17 PRO QD . 17 . HD1 1 1
171 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1
171 1 2 1 1 12 PRO QD . 12 . HD1 1 1
171 1 2 1 1 18 PRO QD . 18 . HD1 1 1
172 1 1 1 1 7 LEU H . 7 . HN 1 1
172 1 2 1 1 9 ASP H . 9 . HN 1 1
172 1 2 1 1 20 SER H . 20 . HN 1 1
173 1 1 1 1 7 LEU HA . 7 . HA 1 1
173 1 1 1 1 16 ARG QD . 16 . HD1 1 1
173 1 2 1 1 8 LYS H . 8 . HN 1 1
174 1 1 1 1 7 LEU HA . 7 . HA 1 1
174 1 1 1 1 16 ARG QD . 16 . HD1 1 1
174 1 2 1 1 9 ASP H . 9 . HN 1 1
175 1 1 1 1 7 LEU HA . 7 . HA 1 1
175 1 2 1 1 10 . H . 10 . HN 1 1
176 1 1 1 1 7 LEU HA . 7 . HA 1 1
176 1 1 1 1 16 ARG QD . 16 . HD1 1 1
176 1 2 1 1 11 GLY H . 11 . HN 1 1
177 1 1 1 1 7 LEU HA . 7 . HA 1 1
177 1 2 1 1 11 GLY HA3 . 11 . HA2 1 1
178 1 1 1 1 7 LEU HB2 . 7 . HB1 1 1
178 1 2 1 1 8 LYS H . 8 . HN 1 1
179 2 1 1 1 7 LEU HB2 . 7 . HB1 1 1
179 2 2 1 1 8 LYS QE . 8 . HE1 1 1
179 3 1 1 1 18 PRO HB3 . 18 . HB2 1 1
179 3 2 1 1 19 PRO QD . 19 . HD2 1 1
180 1 1 1 1 7 LEU HB3 . 7 . HB2 1 1
180 1 2 1 1 8 LYS H . 8 . HN 1 1
181 1 1 1 1 7 LEU HB3 . 7 . HB2 1 1
181 1 1 1 1 8 LYS QB . 8 . HB1 1 1
181 1 2 1 1 9 ASP H . 9 . HN 1 1
182 1 1 1 1 7 LEU HB3 . 7 . HB2 1 1
182 1 2 1 1 8 LYS QD . 8 . HD1 1 1
183 1 1 1 1 7 LEU QD . 7 . HD11 1 1
183 1 2 1 1 8 LYS H . 8 . HN 1 1
184 1 1 1 1 7 LEU QD . 7 . HD11 1 1
184 1 2 1 1 11 GLY H . 11 . HN 1 1
185 1 1 1 1 7 LEU QD . 7 . HD11 1 1
185 1 2 1 1 12 PRO QD . 12 . HD2 1 1
185 1 2 1 1 14 SER QB . 14 . HB1 1 1
186 1 1 1 1 7 LEU QD . 7 . HD11 1 1
186 1 2 1 1 12 PRO QD . 12 . HD1 1 1
186 1 2 1 1 18 PRO QD . 18 . HD1 1 1
187 1 1 1 1 8 LYS H . 8 . HN 1 1
187 1 2 1 1 9 ASP H . 9 . HN 1 1
188 1 1 1 1 8 LYS HA . 8 . HA 1 1
188 1 2 1 1 9 ASP H . 9 . HN 1 1
189 1 1 1 1 8 LYS HA . 8 . HA 1 1
189 1 2 1 1 10 . H . 10 . HN 1 1
190 1 1 1 1 8 LYS QB . 8 . HB1 1 1
190 1 2 1 1 9 ASP HA . 9 . HA 1 1
191 1 1 1 1 9 ASP H . 9 . HN 1 1
191 1 2 1 1 10 . H . 10 . HN 1 1
192 1 1 1 1 9 ASP H . 9 . HN 1 1
192 1 2 1 1 10 . HA . 10 . HA 1 1
193 1 1 1 1 9 ASP H . 9 . HN 1 1
193 1 2 1 1 11 GLY H . 11 . HN 1 1
194 1 1 1 1 9 ASP HA . 9 . HA 1 1
194 1 2 1 1 10 . H . 10 . HN 1 1
195 1 1 1 1 9 ASP HA . 9 . HA 1 1
195 1 2 1 1 10 . HG3 . 10 . HG1 1 1
195 1 2 1 1 12 PRO HG3 . 12 . HG2 1 1
196 1 1 1 1 9 ASP QB . 9 . HB2 1 1
196 1 2 1 1 11 GLY H . 11 . HN 1 1
197 1 1 1 1 9 ASP QB . 9 . HB1 1 1
197 1 2 1 1 12 PRO QD . 12 . HD2 1 1
197 1 2 1 1 14 SER QB . 14 . HB1 1 1
198 1 1 1 1 9 ASP QB . 9 . HB2 1 1
198 1 2 1 1 14 SER QB . 14 . HB2 1 1
199 1 1 1 1 10 . H . 10 . HN 1 1
199 1 2 1 1 10 . HA . 10 . HA 1 1
200 1 1 1 1 10 . H . 10 . HN 1 1
200 1 2 1 1 10 . HB3 . 10 . HB1 1 1
201 1 1 1 1 10 . H . 10 . HN 1 1
201 1 2 1 1 10 . HG2 . 10 . HG2 1 1
202 1 1 1 1 10 . H . 10 . HN 1 1
202 1 2 1 1 10 . HG3 . 10 . HG1 1 1
203 1 1 1 1 10 . H . 10 . HN 1 1
203 1 2 1 1 11 GLY H . 11 . HN 1 1
204 1 1 1 1 10 . HA . 10 . HA 1 1
204 1 2 1 1 10 . HB2 . 10 . HB2 1 1
205 1 1 1 1 10 . HA . 10 . HA 1 1
205 1 2 1 1 10 . HB3 . 10 . HB1 1 1
206 1 1 1 1 10 . HA . 10 . HA 1 1
206 1 2 1 1 10 . HG3 . 10 . HG1 1 1
207 1 1 1 1 10 . HA . 10 . HA 1 1
207 1 2 1 1 11 GLY H . 11 . HN 1 1
208 1 1 1 1 10 . HA . 10 . HA 1 1
208 1 2 1 1 14 SER QB . 14 . HB2 1 1
209 1 1 1 1 10 . HB2 . 10 . HB2 1 1
209 1 2 1 1 10 . HB3 . 10 . HB1 1 1
210 1 1 1 1 10 . HB2 . 10 . HB2 1 1
210 1 2 1 1 10 . HE21 . 10 . HE21 1 1
211 1 1 1 1 10 . HB3 . 10 . HB1 1 1
211 1 2 1 1 11 GLY H . 11 . HN 1 1
212 2 1 1 1 10 . HB3 . 10 . HB1 1 1
212 2 2 1 1 14 SER QB . 14 . HB1 1 1
212 3 1 1 1 12 PRO QD . 12 . HD2 1 1
212 3 2 1 1 16 ARG QB . 16 . HB1 1 1
213 1 1 1 1 10 . HE21 . 10 . HE21 1 1
213 1 2 1 1 10 . HE22 . 10 . HE22 1 1
214 1 1 1 1 10 . HE21 . 10 . HE21 1 1
214 1 2 1 1 10 . HG3 . 10 . HG1 1 1
215 1 1 1 1 10 . HE22 . 10 . HE22 1 1
215 1 2 1 1 10 . HG3 . 10 . HG1 1 1
216 1 1 1 1 10 . HG2 . 10 . HG2 1 1
216 1 2 1 1 10 . HG3 . 10 . HG1 1 1
217 1 1 1 1 10 . HG2 . 10 . HG2 1 1
217 1 2 1 1 11 GLY H . 11 . HN 1 1
218 1 1 1 1 11 GLY H . 11 . HN 1 1
218 1 2 1 1 12 PRO QD . 12 . HD1 1 1
218 1 2 1 1 18 PRO QD . 18 . HD1 1 1
219 1 1 1 1 11 GLY H . 11 . HN 1 1
219 1 2 1 1 14 SER QB . 14 . HB2 1 1
220 1 1 1 1 11 GLY HA2 . 11 . HA1 1 1
220 1 2 1 1 12 PRO QD . 12 . HD2 1 1
220 1 2 1 1 14 SER QB . 14 . HB1 1 1
221 2 1 1 1 11 GLY HA2 . 11 . HA1 1 1
221 2 2 1 1 12 PRO QD . 12 . HD1 1 1
221 3 1 1 1 18 PRO QD . 18 . HD1 1 1
221 3 2 1 1 19 PRO QD . 19 . HD1 1 1
222 1 1 1 1 11 GLY HA3 . 11 . HA2 1 1
222 1 2 1 1 12 PRO QD . 12 . HD1 1 1
223 1 1 1 1 11 GLY HA3 . 11 . HA2 1 1
223 1 2 1 1 12 PRO QD . 12 . HD2 1 1
223 1 2 1 1 14 SER QB . 14 . HB1 1 1
224 1 1 1 1 12 PRO HA . 12 . HA 1 1
224 1 2 1 1 13 SER H . 13 . HN 1 1
225 1 1 1 1 12 PRO HB2 . 12 . HB1 1 1
225 1 2 1 1 13 SER H . 13 . HN 1 1
226 1 1 1 1 12 PRO HB3 . 12 . HB2 1 1
226 1 2 1 1 13 SER H . 13 . HN 1 1
227 1 1 1 1 12 PRO QD . 12 . HD2 1 1
227 1 2 1 1 13 SER H . 13 . HN 1 1
228 1 1 1 1 12 PRO QD . 12 . HD1 1 1
228 1 1 1 1 18 PRO QD . 18 . HD1 1 1
228 1 2 1 1 13 SER H . 13 . HN 1 1
229 1 1 1 1 12 PRO QD . 12 . HD2 1 1
229 1 1 1 1 14 SER QB . 14 . HB1 1 1
229 1 2 1 1 16 ARG H . 16 . HN 1 1
230 1 1 1 1 12 PRO QD . 12 . HD2 1 1
230 1 2 1 1 15 GLY H . 15 . HN 1 1
231 1 1 1 1 12 PRO QD . 12 . HD2 1 1
231 1 2 1 1 15 GLY QA . 15 . HA1 1 1
232 1 1 1 1 12 PRO QD . 12 . HD2 1 1
232 1 2 1 1 16 ARG H . 16 . HN 1 1
233 1 1 1 1 12 PRO HG2 . 12 . HG1 1 1
233 1 2 1 1 13 SER H . 13 . HN 1 1
234 1 1 1 1 12 PRO HG3 . 12 . HG2 1 1
234 1 2 1 1 18 PRO QD . 18 . HD1 1 1
235 1 1 1 1 12 PRO HG3 . 12 . HG2 1 1
235 1 2 1 1 18 PRO QG . 18 . HG1 1 1
236 1 1 1 1 13 SER H . 13 . HN 1 1
236 1 2 1 1 14 SER H . 14 . HN 1 1
237 1 1 1 1 13 SER HA . 13 . HA 1 1
237 1 2 1 1 14 SER H . 14 . HN 1 1
238 1 1 1 1 13 SER HA . 13 . HA 1 1
238 1 2 1 1 14 SER HA . 14 . HA 1 1
239 1 1 1 1 13 SER HA . 13 . HA 1 1
239 1 2 1 1 15 GLY H . 15 . HN 1 1
240 1 1 1 1 13 SER HB2 . 13 . HB1 1 1
240 1 2 1 1 14 SER H . 14 . HN 1 1
241 1 1 1 1 13 SER HB3 . 13 . HB2 1 1
241 1 2 1 1 14 SER H . 14 . HN 1 1
242 1 1 1 1 14 SER H . 14 . HN 1 1
242 1 2 1 1 15 GLY H . 15 . HN 1 1
243 1 1 1 1 14 SER HA . 14 . HA 1 1
243 1 2 1 1 15 GLY H . 15 . HN 1 1
244 1 1 1 1 15 GLY H . 15 . HN 1 1
244 1 2 1 1 16 ARG H . 16 . HN 1 1
245 1 1 1 1 16 ARG QD . 16 . HD1 1 1
245 1 2 1 1 19 PRO QG . 19 . HG1 1 1
246 1 1 1 1 16 ARG QG . 16 . HG1 1 1
246 1 1 1 1 17 PRO HB3 . 17 . HB2 1 1
246 1 2 1 1 18 PRO QD . 18 . HD1 1 1
247 1 1 1 1 16 ARG QG . 16 . HG1 1 1
247 1 2 1 1 17 PRO QD . 17 . HD2 1 1
248 1 1 1 1 17 PRO HB2 . 17 . HB1 1 1
248 1 2 1 1 18 PRO QD . 18 . HD1 1 1
249 1 1 1 1 17 PRO QD . 17 . HD2 1 1
249 1 2 1 1 18 PRO QG . 18 . HG1 1 1
250 1 1 1 1 17 PRO QD . 17 . HD2 1 1
250 1 2 1 1 19 PRO QG . 19 . HG1 1 1
251 1 1 1 1 17 PRO HG2 . 17 . HG1 1 1
251 1 2 1 1 18 PRO QG . 18 . HG1 1 1
252 1 1 1 1 18 PRO HA . 18 . HA 1 1
252 1 2 1 1 19 PRO QD . 19 . HD1 1 1
253 1 1 1 1 18 PRO HB2 . 18 . HB1 1 1
253 1 2 1 1 19 PRO QD . 19 . HD2 1 1
254 1 1 1 1 18 PRO HB3 . 18 . HB2 1 1
254 1 2 1 1 19 PRO QD . 19 . HD1 1 1
255 1 1 1 1 19 PRO HA . 19 . HA 1 1
255 1 2 1 1 20 SER H . 20 . HN 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 . . . . . 0.505 0.0 6.0 1 1
2 1 . . . . . 0.808 0.0 6.0 1 1
3 1 . . . . . 0.712 0.0 6.0 1 1
4 1 . . . . . 0.573 0.0 6.0 1 1
5 1 . . . . . 0.639 0.0 6.0 1 1
6 1 . . . . . 0.544 0.0 6.0 1 1
7 1 . . . . . 0.591 0.0 6.0 1 1
8 1 . . . . . 0.666 0.0 6.0 1 1
9 1 . . . . . 0.814 0.0 6.0 1 1
10 1 . . . . . 0.79 0.0 6.0 1 1
11 1 . . . . . 0.714 0.0 6.0 1 1
12 1 . . . . . 0.719 0.0 6.0 1 1
13 1 . . . . . 6.547 1.189 11.905 1 1
14 1 . . . . . 0.769 0.0 6.0 1 1
15 1 . . . . . 0.745 0.0 6.0 1 1
16 1 . . . . . 0.876 0.0 6.0 1 1
17 1 . . . . . 5.726 1.628 9.824 1 1
18 1 . . . . . 0.607 0.0 6.0 1 1
19 1 . . . . . 0.817 0.0 6.0 1 1
20 1 . . . . . 0.708 0.0 6.0 1 1
21 2 . . . . . 0.59 0.0 6.0 1 1
21 3 . . . . . 0.59 0.0 6.0 1 1
21 4 . . . . . 0.59 0.0 6.0 1 1
22 1 . . . . . 0.645 0.0 6.0 1 1
23 1 . . . . . 0.483 0.0 6.0 1 1
24 1 . . . . . 0.678 0.0 6.0 1 1
25 1 . . . . . 0.662 0.0 6.0 1 1
26 1 . . . . . 0.665 0.0 6.0 1 1
27 1 . . . . . 0.629 0.0 6.0 1 1
28 2 . . . . . 0.614 0.0 6.0 1 1
28 3 . . . . . 0.614 0.0 6.0 1 1
29 1 . . . . . 0.622 0.0 6.0 1 1
30 1 . . . . . 0.676 0.0 6.0 1 1
31 1 . . . . . 0.686 0.0 6.0 1 1
32 1 . . . . . 0.787 0.0 6.0 1 1
33 1 . . . . . 0.583 0.0 6.0 1 1
34 1 . . . . . 0.719 0.0 6.0 1 1
35 1 . . . . . 0.725 0.0 6.0 1 1
36 1 . . . . . 0.63 0.0 6.0 1 1
37 1 . . . . . 0.748 0.0 6.0 1 1
38 1 . . . . . 0.59 0.0 6.0 1 1
39 1 . . . . . 0.661 0.0 6.0 1 1
40 1 . . . . . 0.642 0.0 6.0 1 1
41 1 . . . . . 0.784 0.0 6.0 1 1
42 1 . . . . . 0.566 0.0 6.0 1 1
43 1 . . . . . 0.555 0.0 6.0 1 1
44 1 . . . . . 0.525 0.0 6.0 1 1
45 2 . . . . . 0.655 0.0 6.0 1 1
45 3 . . . . . 0.655 0.0 6.0 1 1
46 1 . . . . . 0.713 0.0 6.0 1 1
47 1 . . . . . 0.655 0.0 6.0 1 1
48 1 . . . . . 0.605 0.0 6.0 1 1
49 1 . . . . . 0.469 0.0 6.0 1 1
50 1 . . . . . 0.708 0.0 6.0 1 1
51 1 . . . . . 0.464 0.0 6.0 1 1
52 1 . . . . . 0.816 0.0 6.0 1 1
53 1 . . . . . 0.706 0.0 6.0 1 1
54 1 . . . . . 0.558 0.0 6.0 1 1
55 1 . . . . . 0.514 0.0 6.0 1 1
56 1 . . . . . 0.583 0.0 6.0 1 1
57 1 . . . . . 0.723 0.0 6.0 1 1
58 1 . . . . . 0.561 0.0 6.0 1 1
59 1 . . . . . 0.769 0.0 6.0 1 1
60 1 . . . . . 0.822 0.0 6.0 1 1
61 1 . . . . . 0.842 0.0 6.0 1 1
62 1 . . . . . 0.638 0.0 6.0 1 1
63 1 . . . . . 0.53 0.0 6.0 1 1
64 1 . . . . . 0.69 0.0 6.0 1 1
65 1 . . . . . 0.754 0.0 6.0 1 1
66 2 . . . . . 0.572 0.0 6.0 1 1
66 3 . . . . . 0.572 0.0 6.0 1 1
67 1 . . . . . 0.554 0.0 6.0 1 1
68 1 . . . . . 0.666 0.0 6.0 1 1
69 1 . . . . . 0.635 0.0 6.0 1 1
70 1 . . . . . 0.76 0.0 6.0 1 1
71 1 . . . . . 0.695 0.0 6.0 1 1
72 1 . . . . . 0.728 0.0 6.0 1 1
73 1 . . . . . 0.714 0.0 6.0 1 1
74 1 . . . . . 0.651 0.0 6.0 1 1
75 1 . . . . . 0.658 0.0 6.0 1 1
76 1 . . . . . 0.451 0.0 6.0 1 1
77 1 . . . . . 0.684 0.0 6.0 1 1
78 1 . . . . . 0.669 0.0 6.0 1 1
79 1 . . . . . 0.706 0.0 6.0 1 1
80 1 . . . . . 0.678 0.0 6.0 1 1
81 1 . . . . . 0.542 0.0 6.0 1 1
82 1 . . . . . 0.572 0.0 6.0 1 1
83 1 . . . . . 0.6 0.0 6.0 1 1
84 1 . . . . . 0.528 0.0 6.0 1 1
85 1 . . . . . 0.59 0.0 6.0 1 1
86 1 . . . . . 0.626 0.0 6.0 1 1
87 1 . . . . . 0.596 0.0 6.0 1 1
88 1 . . . . . 0.667 0.0 6.0 1 1
89 2 . . . . . 0.828 0.0 6.0 1 1
89 3 . . . . . 0.828 0.0 6.0 1 1
90 1 . . . . . 0.801 0.0 6.0 1 1
91 1 . . . . . 0.603 0.0 6.0 1 1
92 1 . . . . . 0.59 0.0 6.0 1 1
93 1 . . . . . 0.574 0.0 6.0 1 1
94 1 . . . . . 0.745 0.0 6.0 1 1
95 1 . . . . . 0.664 0.0 6.0 1 1
96 1 . . . . . 0.64 0.0 6.0 1 1
97 1 . . . . . 0.629 0.0 6.0 1 1
98 1 . . . . . 0.544 0.0 6.0 1 1
99 1 . . . . . 0.624 0.0 6.0 1 1
100 1 . . . . . 0.748 0.0 6.0 1 1
101 1 . . . . . 0.567 0.0 6.0 1 1
102 1 . . . . . 0.67 0.0 6.0 1 1
103 1 . . . . . 0.667 0.0 6.0 1 1
104 1 . . . . . 0.589 0.0 6.0 1 1
105 1 . . . . . 0.646 0.0 6.0 1 1
106 1 . . . . . 0.803 0.0 6.0 1 1
107 1 . . . . . 0.501 0.0 6.0 1 1
108 1 . . . . . 0.483 0.0 6.0 1 1
109 1 . . . . . 0.781 0.0 6.0 1 1
110 1 . . . . . 7.311 0.629 13.993 1 1
111 1 . . . . . 0.542 0.0 6.0 1 1
112 1 . . . . . 0.628 0.0 6.0 1 1
113 1 . . . . . 0.574 0.0 6.0 1 1
114 1 . . . . . 5.602 1.68 9.524 1 1
115 1 . . . . . 0.661 0.0 6.0 1 1
116 1 . . . . . 0.721 0.0 6.0 1 1
117 1 . . . . . 0.526 0.0 6.0 1 1
118 1 . . . . . 0.578 0.0 6.0 1 1
119 1 . . . . . 0.578 0.0 6.0 1 1
120 1 . . . . . 0.587 0.0 6.0 1 1
121 1 . . . . . 0.596 0.0 6.0 1 1
122 1 . . . . . 0.573 0.0 6.0 1 1
123 1 . . . . . 0.621 0.0 6.0 1 1
124 2 . . . . . 0.542 0.0 6.0 1 1
124 3 . . . . . 0.542 0.0 6.0 1 1
125 1 . . . . . 0.552 0.0 6.0 1 1
126 2 . . . . . 0.513 0.0 6.0 1 1
126 3 . . . . . 0.513 0.0 6.0 1 1
127 1 . . . . . 0.56 0.0 6.0 1 1
128 1 . . . . . 0.751 0.0 6.0 1 1
129 1 . . . . . 0.719 0.0 6.0 1 1
130 1 . . . . . 0.792 0.0 6.0 1 1
131 2 . . . . . 0.516 0.0 6.0 1 1
131 3 . . . . . 0.516 0.0 6.0 1 1
132 1 . . . . . 0.73 0.0 6.0 1 1
133 1 . . . . . 0.581 0.0 6.0 1 1
134 1 . . . . . 0.642 0.0 6.0 1 1
135 1 . . . . . 0.692 0.0 6.0 1 1
136 1 . . . . . 0.532 0.0 6.0 1 1
137 1 . . . . . 0.564 0.0 6.0 1 1
138 1 . . . . . 0.777 0.0 6.0 1 1
139 1 . . . . . 0.612 0.0 6.0 1 1
140 1 . . . . . 0.649 0.0 6.0 1 1
141 1 . . . . . 6.529 1.201 11.857 1 1
142 1 . . . . . 0.57 0.0 6.0 1 1
143 1 . . . . . 0.753 0.0 6.0 1 1
144 1 . . . . . 0.562 0.0 6.0 1 1
145 1 . . . . . 0.687 0.0 6.0 1 1
146 1 . . . . . 0.613 0.0 6.0 1 1
147 1 . . . . . 0.708 0.0 6.0 1 1
148 1 . . . . . 0.738 0.0 6.0 1 1
149 1 . . . . . 0.751 0.0 6.0 1 1
150 1 . . . . . 0.658 0.0 6.0 1 1
151 1 . . . . . 0.817 0.0 6.0 1 1
152 1 . . . . . 0.706 0.0 6.0 1 1
153 1 . . . . . 0.66 0.0 6.0 1 1
154 1 . . . . . 0.526 0.0 6.0 1 1
155 1 . . . . . 0.709 0.0 6.0 1 1
156 1 . . . . . 0.687 0.0 6.0 1 1
157 1 . . . . . 0.696 0.0 6.0 1 1
158 1 . . . . . 0.535 0.0 6.0 1 1
159 1 . . . . . 0.584 0.0 6.0 1 1
160 1 . . . . . 0.554 0.0 6.0 1 1
161 1 . . . . . 0.662 0.0 6.0 1 1
162 1 . . . . . 0.811 0.0 6.0 1 1
163 1 . . . . . 0.53 0.0 6.0 1 1
164 1 . . . . . 0.663 0.0 6.0 1 1
165 1 . . . . . 0.704 0.0 6.0 1 1
166 1 . . . . . 0.637 0.0 6.0 1 1
167 1 . . . . . 0.526 0.0 6.0 1 1
168 1 . . . . . 0.69 0.0 6.0 1 1
169 1 . . . . . 0.602 0.0 6.0 1 1
170 1 . . . . . 0.723 0.0 6.0 1 1
171 1 . . . . . 0.664 0.0 6.0 1 1
172 1 . . . . . 0.972 0.0 6.0 1 1
173 1 . . . . . 0.674 0.0 6.0 1 1
174 1 . . . . . 0.818 0.0 6.0 1 1
175 1 . . . . . 0.648 0.0 6.0 1 1
176 1 . . . . . 0.549 0.0 6.0 1 1
177 1 . . . . . 0.577 0.0 6.0 1 1
178 1 . . . . . 0.635 0.0 6.0 1 1
179 2 . . . . . 0.594 0.0 6.0 1 1
179 3 . . . . . 0.594 0.0 6.0 1 1
180 1 . . . . . 0.452 0.0 6.0 1 1
181 1 . . . . . 0.546 0.0 6.0 1 1
182 1 . . . . . 7.156 0.756 13.556 1 1
183 1 . . . . . 0.817 0.0 6.0 1 1
184 1 . . . . . 0.751 0.0 6.0 1 1
185 1 . . . . . 0.631 0.0 6.0 1 1
186 1 . . . . . 0.704 0.0 6.0 1 1
187 1 . . . . . 0.569 0.0 6.0 1 1
188 1 . . . . . 0.618 0.0 6.0 1 1
189 1 . . . . . 0.652 0.0 6.0 1 1
190 1 . . . . . 0.694 0.0 6.0 1 1
191 1 . . . . . 0.566 0.0 6.0 1 1
192 1 . . . . . 0.665 0.0 6.0 1 1
193 1 . . . . . 0.772 0.0 6.0 1 1
194 1 . . . . . 0.647 0.0 6.0 1 1
195 1 . . . . . 0.67 0.0 6.0 1 1
196 1 . . . . . 5.582 1.687 6.0 1 1
197 1 . . . . . 0.574 0.0 6.0 1 1
198 1 . . . . . 0.586 0.0 6.0 1 1
199 1 . . . . . 0.569 0.0 6.0 1 1
200 1 . . . . . 0.533 0.0 6.0 1 1
201 1 . . . . . 0.407 0.0 6.0 1 1
202 1 . . . . . 0.617 0.0 6.0 1 1
203 1 . . . . . 0.501 0.0 6.0 1 1
204 1 . . . . . 0.387 0.0 6.0 1 1
205 1 . . . . . 0.542 0.0 6.0 1 1
206 1 . . . . . 0.56 0.0 6.0 1 1
207 1 . . . . . 0.648 0.0 6.0 1 1
208 1 . . . . . 0.593 0.0 6.0 1 1
209 1 . . . . . 0.376 0.0 6.0 1 1
210 1 . . . . . 0.735 0.0 6.0 1 1
211 1 . . . . . 0.697 0.0 6.0 1 1
212 2 . . . . . 0.577 0.0 6.0 1 1
212 3 . . . . . 0.577 0.0 6.0 1 1
213 1 . . . . . 0.433 0.0 6.0 1 1
214 1 . . . . . 0.63 0.0 6.0 1 1
215 1 . . . . . 0.801 0.0 6.0 1 1
216 1 . . . . . 6.986 0.885 13.087 1 1
217 1 . . . . . 0.73 0.0 6.0 1 1
218 1 . . . . . 0.751 0.0 6.0 1 1
219 1 . . . . . 0.699 0.0 6.0 1 1
220 1 . . . . . 0.487 0.0 6.0 1 1
221 2 . . . . . 0.484 0.0 6.0 1 1
221 3 . . . . . 0.484 0.0 6.0 1 1
222 1 . . . . . 0.6 0.0 6.0 1 1
223 1 . . . . . 0.601 0.0 6.0 1 1
224 1 . . . . . 0.659 0.0 6.0 1 1
225 1 . . . . . 0.748 0.0 6.0 1 1
226 1 . . . . . 0.647 0.0 6.0 1 1
227 1 . . . . . 0.624 0.0 6.0 1 1
228 1 . . . . . 0.722 0.0 6.0 1 1
229 1 . . . . . 0.745 0.0 6.0 1 1
230 1 . . . . . 0.486 0.0 6.0 1 1
231 1 . . . . . 0.371 0.0 6.0 1 1
232 1 . . . . . 0.614 0.0 6.0 1 1
233 1 . . . . . 0.684 0.0 6.0 1 1
234 1 . . . . . 0.492 0.0 6.0 1 1
235 1 . . . . . 0.521 0.0 6.0 1 1
236 1 . . . . . 0.554 0.0 6.0 1 1
237 1 . . . . . 0.656 0.0 6.0 1 1
238 1 . . . . . 0.455 0.0 6.0 1 1
239 1 . . . . . 0.723 0.0 6.0 1 1
240 1 . . . . . 0.82 0.0 6.0 1 1
241 1 . . . . . 0.679 0.0 6.0 1 1
242 1 . . . . . 0.578 0.0 6.0 1 1
243 1 . . . . . 0.67 0.0 6.0 1 1
244 1 . . . . . 0.558 0.0 6.0 1 1
245 1 . . . . . 0.508 0.0 6.0 1 1
246 1 . . . . . 0.442 0.0 6.0 1 1
247 1 . . . . . 0.501 0.0 6.0 1 1
248 1 . . . . . 0.554 0.0 6.0 1 1
249 1 . . . . . 0.649 0.0 6.0 1 1
250 1 . . . . . 0.529 0.0 6.0 1 1
251 1 . . . . . 7.126 0.778 13.474 1 1
252 1 . . . . . 0.479 0.0 6.0 1 1
253 1 . . . . . 0.649 0.0 6.0 1 1
254 1 . . . . . 0.681 0.0 6.0 1 1
255 1 . . . . . 0.482 0.0 6.0 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ASN C C 8.650 -1.956 0.594 1.00 . A A . 1 ASN C 1 1
1 2 1 1 1 ASN CA C 9.640 -2.330 -0.500 1.00 . A A . 1 ASN CA 1 1
1 3 1 1 1 ASN CB C 9.530 -3.822 -0.806 1.00 . A A . 1 ASN CB 1 1
1 4 1 1 1 ASN CG C 9.579 -4.110 -2.291 1.00 . A A . 1 ASN CG 1 1
1 5 1 1 1 ASN H1 H 11.292 -2.506 0.759 1.00 . A A . 1 ASN H1 1 1
1 6 1 1 1 ASN H2 H 11.110 -0.969 0.077 1.00 . A A . 1 ASN H2 1 1
1 7 1 1 1 ASN H3 H 11.691 -2.247 -0.865 1.00 . A A . 1 ASN H3 1 1
1 8 1 1 1 ASN HA H 9.397 -1.770 -1.392 1.00 . A A . 1 ASN HA 1 1
1 9 1 1 1 ASN HB2 H 10.348 -4.342 -0.330 1.00 . A A . 1 ASN HB2 1 1
1 10 1 1 1 ASN HB3 H 8.596 -4.196 -0.414 1.00 . A A . 1 ASN HB3 1 1
1 11 1 1 1 ASN HD21 H 10.392 -5.889 -1.943 1.00 . A A . 1 ASN HD21 1 1
1 12 1 1 1 ASN HD22 H 10.128 -5.496 -3.604 1.00 . A A . 1 ASN HD22 1 1
1 13 1 1 1 ASN N N 11.030 -1.989 -0.105 1.00 . A A . 1 ASN N 1 1
1 14 1 1 1 ASN ND2 N 10.084 -5.283 -2.649 1.00 . A A . 1 ASN ND2 1 1
1 15 1 1 1 ASN O O 8.185 -2.812 1.345 1.00 . A A . 1 ASN O 1 1
1 16 1 1 1 ASN OD1 O 9.165 -3.288 -3.108 1.00 . A A . 1 ASN OD1 1 1
1 17 1 1 2 LEU C C 5.986 -0.108 1.097 1.00 . A A . 2 LEU C 1 1
1 18 1 1 2 LEU CA C 7.390 -0.191 1.679 1.00 . A A . 2 LEU CA 1 1
1 19 1 1 2 LEU CB C 7.829 1.178 2.202 1.00 . A A . 2 LEU CB 1 1
1 20 1 1 2 LEU CD1 C 7.304 2.595 0.192 1.00 . A A . 2 LEU CD1 1 1
1 21 1 1 2 LEU CD2 C 9.051 3.329 1.817 1.00 . A A . 2 LEU CD2 1 1
1 22 1 1 2 LEU CG C 8.393 2.135 1.148 1.00 . A A . 2 LEU CG 1 1
1 23 1 1 2 LEU H H 8.734 -0.037 0.053 1.00 . A A . 2 LEU H 1 1
1 24 1 1 2 LEU HA H 7.386 -0.896 2.497 1.00 . A A . 2 LEU HA 1 1
1 25 1 1 2 LEU HB2 H 6.977 1.652 2.668 1.00 . A A . 2 LEU HB2 1 1
1 26 1 1 2 LEU HB3 H 8.587 1.024 2.956 1.00 . A A . 2 LEU HB3 1 1
1 27 1 1 2 LEU HD11 H 7.723 3.286 -0.524 1.00 . A A . 2 LEU HD11 1 1
1 28 1 1 2 LEU HD12 H 6.519 3.085 0.749 1.00 . A A . 2 LEU HD12 1 1
1 29 1 1 2 LEU HD13 H 6.897 1.741 -0.329 1.00 . A A . 2 LEU HD13 1 1
1 30 1 1 2 LEU HD21 H 9.846 2.987 2.464 1.00 . A A . 2 LEU HD21 1 1
1 31 1 1 2 LEU HD22 H 8.317 3.865 2.401 1.00 . A A . 2 LEU HD22 1 1
1 32 1 1 2 LEU HD23 H 9.459 3.986 1.063 1.00 . A A . 2 LEU HD23 1 1
1 33 1 1 2 LEU HG H 9.146 1.619 0.570 1.00 . A A . 2 LEU HG 1 1
1 34 1 1 2 LEU N N 8.330 -0.674 0.679 1.00 . A A . 2 LEU N 1 1
1 35 1 1 2 LEU O O 5.051 0.337 1.761 1.00 . A A . 2 LEU O 1 1
1 36 1 1 3 TYR C C 3.929 -1.897 -0.879 1.00 . A A . 3 TYR C 1 1
1 37 1 1 3 TYR CA C 4.569 -0.516 -0.837 1.00 . A A . 3 TYR CA 1 1
1 38 1 1 3 TYR CB C 4.760 0.009 -2.258 1.00 . A A . 3 TYR CB 1 1
1 39 1 1 3 TYR CD1 C 4.195 2.392 -1.634 1.00 . A A . 3 TYR CD1 1 1
1 40 1 1 3 TYR CD2 C 3.307 1.511 -3.663 1.00 . A A . 3 TYR CD2 1 1
1 41 1 1 3 TYR CE1 C 3.570 3.598 -1.880 1.00 . A A . 3 TYR CE1 1 1
1 42 1 1 3 TYR CE2 C 2.679 2.714 -3.915 1.00 . A A . 3 TYR CE2 1 1
1 43 1 1 3 TYR CG C 4.073 1.329 -2.521 1.00 . A A . 3 TYR CG 1 1
1 44 1 1 3 TYR CZ C 2.814 3.754 -3.021 1.00 . A A . 3 TYR CZ 1 1
1 45 1 1 3 TYR H H 6.636 -0.898 -0.617 1.00 . A A . 3 TYR H 1 1
1 46 1 1 3 TYR HA H 3.917 0.155 -0.299 1.00 . A A . 3 TYR HA 1 1
1 47 1 1 3 TYR HB2 H 5.814 0.144 -2.446 1.00 . A A . 3 TYR HB2 1 1
1 48 1 1 3 TYR HB3 H 4.366 -0.715 -2.957 1.00 . A A . 3 TYR HB3 1 1
1 49 1 1 3 TYR HD1 H 4.788 2.266 -0.741 1.00 . A A . 3 TYR HD1 1 1
1 50 1 1 3 TYR HD2 H 3.203 0.693 -4.361 1.00 . A A . 3 TYR HD2 1 1
1 51 1 1 3 TYR HE1 H 3.677 4.414 -1.180 1.00 . A A . 3 TYR HE1 1 1
1 52 1 1 3 TYR HE2 H 2.086 2.836 -4.809 1.00 . A A . 3 TYR HE2 1 1
1 53 1 1 3 TYR HH H 1.303 4.792 -3.597 1.00 . A A . 3 TYR HH 1 1
1 54 1 1 3 TYR N N 5.851 -0.545 -0.148 1.00 . A A . 3 TYR N 1 1
1 55 1 1 3 TYR O O 2.724 -2.024 -1.094 1.00 . A A . 3 TYR O 1 1
1 56 1 1 3 TYR OH O 2.191 4.953 -3.271 1.00 . A A . 3 TYR OH 1 1
1 57 1 1 4 ILE C C 3.177 -4.512 0.368 1.00 . A A . 4 ILE C 1 1
1 58 1 1 4 ILE CA C 4.246 -4.302 -0.698 1.00 . A A . 4 ILE CA 1 1
1 59 1 1 4 ILE CB C 5.388 -5.314 -0.484 1.00 . A A . 4 ILE CB 1 1
1 60 1 1 4 ILE CD1 C 5.981 -5.281 -2.971 1.00 . A A . 4 ILE CD1 1 1
1 61 1 1 4 ILE CG1 C 6.475 -5.125 -1.546 1.00 . A A . 4 ILE CG1 1 1
1 62 1 1 4 ILE CG2 C 4.853 -6.740 -0.510 1.00 . A A . 4 ILE CG2 1 1
1 63 1 1 4 ILE H H 5.692 -2.766 -0.512 1.00 . A A . 4 ILE H 1 1
1 64 1 1 4 ILE HA H 3.809 -4.483 -1.670 1.00 . A A . 4 ILE HA 1 1
1 65 1 1 4 ILE HB H 5.815 -5.137 0.492 1.00 . A A . 4 ILE HB 1 1
1 66 1 1 4 ILE HD11 H 5.231 -4.532 -3.175 1.00 . A A . 4 ILE HD11 1 1
1 67 1 1 4 ILE HD12 H 5.552 -6.264 -3.098 1.00 . A A . 4 ILE HD12 1 1
1 68 1 1 4 ILE HD13 H 6.809 -5.158 -3.654 1.00 . A A . 4 ILE HD13 1 1
1 69 1 1 4 ILE HG12 H 6.891 -4.134 -1.450 1.00 . A A . 4 ILE HG12 1 1
1 70 1 1 4 ILE HG13 H 7.256 -5.854 -1.384 1.00 . A A . 4 ILE HG13 1 1
1 71 1 1 4 ILE HG21 H 4.375 -6.927 -1.461 1.00 . A A . 4 ILE HG21 1 1
1 72 1 1 4 ILE HG22 H 4.134 -6.870 0.285 1.00 . A A . 4 ILE HG22 1 1
1 73 1 1 4 ILE HG23 H 5.669 -7.433 -0.375 1.00 . A A . 4 ILE HG23 1 1
1 74 1 1 4 ILE N N 4.740 -2.930 -0.678 1.00 . A A . 4 ILE N 1 1
1 75 1 1 4 ILE O O 2.077 -4.981 0.073 1.00 . A A . 4 ILE O 1 1
1 76 1 1 5 GLN C C 1.452 -3.274 2.601 1.00 . A A . 5 GLN C 1 1
1 77 1 1 5 GLN CA C 2.571 -4.304 2.714 1.00 . A A . 5 GLN CA 1 1
1 78 1 1 5 GLN CB C 3.304 -4.155 4.048 1.00 . A A . 5 GLN CB 1 1
1 79 1 1 5 GLN CD C 5.130 -2.947 5.304 1.00 . A A . 5 GLN CD 1 1
1 80 1 1 5 GLN CG C 4.169 -2.910 4.132 1.00 . A A . 5 GLN CG 1 1
1 81 1 1 5 GLN H H 4.401 -3.799 1.778 1.00 . A A . 5 GLN H 1 1
1 82 1 1 5 GLN HA H 2.140 -5.293 2.658 1.00 . A A . 5 GLN HA 1 1
1 83 1 1 5 GLN HB2 H 2.575 -4.115 4.844 1.00 . A A . 5 GLN HB2 1 1
1 84 1 1 5 GLN HB3 H 3.937 -5.018 4.195 1.00 . A A . 5 GLN HB3 1 1
1 85 1 1 5 GLN HE21 H 3.759 -2.126 6.487 1.00 . A A . 5 GLN HE21 1 1
1 86 1 1 5 GLN HE22 H 5.277 -2.484 7.231 1.00 . A A . 5 GLN HE22 1 1
1 87 1 1 5 GLN HG2 H 4.741 -2.822 3.220 1.00 . A A . 5 GLN HG2 1 1
1 88 1 1 5 GLN HG3 H 3.528 -2.047 4.238 1.00 . A A . 5 GLN HG3 1 1
1 89 1 1 5 GLN N N 3.507 -4.162 1.606 1.00 . A A . 5 GLN N 1 1
1 90 1 1 5 GLN NE2 N 4.676 -2.471 6.457 1.00 . A A . 5 GLN NE2 1 1
1 91 1 1 5 GLN O O 0.524 -3.252 3.409 1.00 . A A . 5 GLN O 1 1
1 92 1 1 5 GLN OE1 O 6.265 -3.403 5.176 1.00 . A A . 5 GLN OE1 1 1
1 93 1 1 6 TRP C C -0.391 -1.823 0.226 1.00 . A A . 6 TRP C 1 1
1 94 1 1 6 TRP CA C 0.560 -1.387 1.338 1.00 . A A . 6 TRP CA 1 1
1 95 1 1 6 TRP CB C 1.264 -0.078 0.964 1.00 . A A . 6 TRP CB 1 1
1 96 1 1 6 TRP CD1 C -0.273 1.931 1.382 1.00 . A A . 6 TRP CD1 1 1
1 97 1 1 6 TRP CD2 C -0.082 1.347 -0.770 1.00 . A A . 6 TRP CD2 1 1
1 98 1 1 6 TRP CE2 C -0.943 2.456 -0.683 1.00 . A A . 6 TRP CE2 1 1
1 99 1 1 6 TRP CE3 C 0.190 0.801 -2.028 1.00 . A A . 6 TRP CE3 1 1
1 100 1 1 6 TRP CG C 0.335 1.026 0.560 1.00 . A A . 6 TRP CG 1 1
1 101 1 1 6 TRP CH2 C -1.248 2.477 -3.024 1.00 . A A . 6 TRP CH2 1 1
1 102 1 1 6 TRP CZ2 C -1.533 3.030 -1.806 1.00 . A A . 6 TRP CZ2 1 1
1 103 1 1 6 TRP CZ3 C -0.396 1.372 -3.141 1.00 . A A . 6 TRP CZ3 1 1
1 104 1 1 6 TRP H H 2.323 -2.493 0.983 1.00 . A A . 6 TRP H 1 1
1 105 1 1 6 TRP HA H -0.004 -1.240 2.247 1.00 . A A . 6 TRP HA 1 1
1 106 1 1 6 TRP HB2 H 1.836 0.267 1.812 1.00 . A A . 6 TRP HB2 1 1
1 107 1 1 6 TRP HB3 H 1.936 -0.265 0.139 1.00 . A A . 6 TRP HB3 1 1
1 108 1 1 6 TRP HD1 H -0.157 1.953 2.455 1.00 . A A . 6 TRP HD1 1 1
1 109 1 1 6 TRP HE1 H -1.578 3.533 1.002 1.00 . A A . 6 TRP HE1 1 1
1 110 1 1 6 TRP HE3 H 0.844 -0.051 -2.138 1.00 . A A . 6 TRP HE3 1 1
1 111 1 1 6 TRP HH2 H -1.685 2.889 -3.921 1.00 . A A . 6 TRP HH2 1 1
1 112 1 1 6 TRP HZ2 H -2.191 3.883 -1.733 1.00 . A A . 6 TRP HZ2 1 1
1 113 1 1 6 TRP HZ3 H -0.198 0.964 -4.121 1.00 . A A . 6 TRP HZ3 1 1
1 114 1 1 6 TRP N N 1.554 -2.423 1.586 1.00 . A A . 6 TRP N 1 1
1 115 1 1 6 TRP NE1 N -1.044 2.795 0.641 1.00 . A A . 6 TRP NE1 1 1
1 116 1 1 6 TRP O O -1.525 -1.351 0.142 1.00 . A A . 6 TRP O 1 1
1 117 1 1 7 LEU C C -1.604 -4.404 -1.280 1.00 . A A . 7 LEU C 1 1
1 118 1 1 7 LEU CA C -0.717 -3.248 -1.729 1.00 . A A . 7 LEU CA 1 1
1 119 1 1 7 LEU CB C 0.192 -3.718 -2.868 1.00 . A A . 7 LEU CB 1 1
1 120 1 1 7 LEU CD1 C 1.902 -3.190 -4.620 1.00 . A A . 7 LEU CD1 1 1
1 121 1 1 7 LEU CD2 C -0.171 -1.808 -4.448 1.00 . A A . 7 LEU CD2 1 1
1 122 1 1 7 LEU CG C 0.866 -2.606 -3.673 1.00 . A A . 7 LEU CG 1 1
1 123 1 1 7 LEU H H 0.992 -3.075 -0.493 1.00 . A A . 7 LEU H 1 1
1 124 1 1 7 LEU HA H -1.344 -2.445 -2.088 1.00 . A A . 7 LEU HA 1 1
1 125 1 1 7 LEU HB2 H 0.964 -4.345 -2.445 1.00 . A A . 7 LEU HB2 1 1
1 126 1 1 7 LEU HB3 H -0.399 -4.314 -3.547 1.00 . A A . 7 LEU HB3 1 1
1 127 1 1 7 LEU HD11 H 2.380 -2.391 -5.168 1.00 . A A . 7 LEU HD11 1 1
1 128 1 1 7 LEU HD12 H 1.417 -3.861 -5.314 1.00 . A A . 7 LEU HD12 1 1
1 129 1 1 7 LEU HD13 H 2.644 -3.733 -4.053 1.00 . A A . 7 LEU HD13 1 1
1 130 1 1 7 LEU HD21 H -0.874 -1.365 -3.758 1.00 . A A . 7 LEU HD21 1 1
1 131 1 1 7 LEU HD22 H -0.697 -2.463 -5.126 1.00 . A A . 7 LEU HD22 1 1
1 132 1 1 7 LEU HD23 H 0.321 -1.028 -5.010 1.00 . A A . 7 LEU HD23 1 1
1 133 1 1 7 LEU HG H 1.372 -1.934 -2.995 1.00 . A A . 7 LEU HG 1 1
1 134 1 1 7 LEU N N 0.081 -2.736 -0.620 1.00 . A A . 7 LEU N 1 1
1 135 1 1 7 LEU O O -2.666 -4.645 -1.854 1.00 . A A . 7 LEU O 1 1
1 136 1 1 8 LYS C C -2.992 -5.814 1.240 1.00 . A A . 8 LYS C 1 1
1 137 1 1 8 LYS CA C -1.903 -6.258 0.270 1.00 . A A . 8 LYS CA 1 1
1 138 1 1 8 LYS CB C -0.954 -7.227 0.979 1.00 . A A . 8 LYS CB 1 1
1 139 1 1 8 LYS CD C 0.460 -7.608 3.033 1.00 . A A . 8 LYS CD 1 1
1 140 1 1 8 LYS CE C 1.632 -8.329 2.384 1.00 . A A . 8 LYS CE 1 1
1 141 1 1 8 LYS CG C -0.159 -6.577 2.101 1.00 . A A . 8 LYS CG 1 1
1 142 1 1 8 LYS H H -0.306 -4.873 0.166 1.00 . A A . 8 LYS H 1 1
1 143 1 1 8 LYS HA H -2.362 -6.766 -0.564 1.00 . A A . 8 LYS HA 1 1
1 144 1 1 8 LYS HB2 H -1.531 -8.038 1.398 1.00 . A A . 8 LYS HB2 1 1
1 145 1 1 8 LYS HB3 H -0.258 -7.626 0.257 1.00 . A A . 8 LYS HB3 1 1
1 146 1 1 8 LYS HD2 H 0.810 -7.108 3.923 1.00 . A A . 8 LYS HD2 1 1
1 147 1 1 8 LYS HD3 H -0.294 -8.334 3.300 1.00 . A A . 8 LYS HD3 1 1
1 148 1 1 8 LYS HE2 H 2.202 -7.616 1.808 1.00 . A A . 8 LYS HE2 1 1
1 149 1 1 8 LYS HE3 H 2.257 -8.745 3.160 1.00 . A A . 8 LYS HE3 1 1
1 150 1 1 8 LYS HG2 H 0.630 -5.982 1.668 1.00 . A A . 8 LYS HG2 1 1
1 151 1 1 8 LYS HG3 H -0.819 -5.940 2.671 1.00 . A A . 8 LYS HG3 1 1
1 152 1 1 8 LYS HZ1 H 2.005 -9.932 1.099 1.00 . A A . 8 LYS HZ1 1 1
1 153 1 1 8 LYS HZ2 H 0.628 -9.038 0.695 1.00 . A A . 8 LYS HZ2 1 1
1 154 1 1 8 LYS HZ3 H 0.590 -10.100 2.011 1.00 . A A . 8 LYS HZ3 1 1
1 155 1 1 8 LYS N N -1.158 -5.118 -0.252 1.00 . A A . 8 LYS N 1 1
1 156 1 1 8 LYS NZ N 1.182 -9.426 1.485 1.00 . A A . 8 LYS NZ 1 1
1 157 1 1 8 LYS O O -3.864 -6.602 1.606 1.00 . A A . 8 LYS O 1 1
1 158 1 1 9 ASP C C -5.082 -3.340 1.879 1.00 . A A . 9 ASP C 1 1
1 159 1 1 9 ASP CA C -3.926 -4.027 2.593 1.00 . A A . 9 ASP CA 1 1
1 160 1 1 9 ASP CB C -3.267 -3.053 3.564 1.00 . A A . 9 ASP CB 1 1
1 161 1 1 9 ASP CG C -4.056 -2.915 4.848 1.00 . A A . 9 ASP CG 1 1
1 162 1 1 9 ASP H H -2.235 -3.963 1.317 1.00 . A A . 9 ASP H 1 1
1 163 1 1 9 ASP HA H -4.318 -4.862 3.154 1.00 . A A . 9 ASP HA 1 1
1 164 1 1 9 ASP HB2 H -2.276 -3.407 3.805 1.00 . A A . 9 ASP HB2 1 1
1 165 1 1 9 ASP HB3 H -3.196 -2.081 3.098 1.00 . A A . 9 ASP HB3 1 1
1 166 1 1 9 ASP N N -2.944 -4.552 1.651 1.00 . A A . 9 ASP N 1 1
1 167 1 1 9 ASP O O -6.040 -2.906 2.516 1.00 . A A . 9 ASP O 1 1
1 168 1 1 9 ASP OD1 O -4.999 -2.099 4.882 1.00 . A A . 9 ASP OD1 1 1
1 169 1 1 9 ASP OD2 O -3.734 -3.630 5.818 1.00 . A A . 9 ASP OD2 1 1
1 170 1 1 10 . C C -5.583 -1.285 -0.829 1.00 . A A . 10 DGN C 1 1
1 171 1 1 10 . CA C -6.045 -2.608 -0.229 1.00 . A A . 10 DGN CA 1 1
1 172 1 1 10 . CB C -6.509 -3.548 -1.340 1.00 . A A . 10 DGN CB 1 1
1 173 1 1 10 . CD C -6.978 -5.404 0.314 1.00 . A A . 10 DGN CD 1 1
1 174 1 1 10 . CG C -7.486 -4.616 -0.876 1.00 . A A . 10 DGN CG 1 1
1 175 1 1 10 . H H -4.198 -3.593 0.104 1.00 . A A . 10 DGN H 1 1
1 176 1 1 10 . HA H -6.878 -2.420 0.426 1.00 . A A . 10 DGN HA 1 1
1 177 1 1 10 . HB2 H -6.990 -2.964 -2.111 1.00 . A A . 10 DGN HB2 1 1
1 178 1 1 10 . HB3 H -5.645 -4.040 -1.762 1.00 . A A . 10 DGN HB3 1 1
1 179 1 1 10 . HE21 H -5.998 -6.641 -0.893 1.00 . A A . 10 DGN HE21 1 1
1 180 1 1 10 . HE22 H -5.857 -6.971 0.797 1.00 . A A . 10 DGN HE22 1 1
1 181 1 1 10 . HG2 H -8.415 -4.140 -0.601 1.00 . A A . 10 DGN HG2 1 1
1 182 1 1 10 . HG3 H -7.663 -5.301 -1.692 1.00 . A A . 10 DGN HG3 1 1
1 183 1 1 10 . N N -4.990 -3.238 0.559 1.00 . A A . 10 DGN N 1 1
1 184 1 1 10 . NE2 N -6.199 -6.443 0.046 1.00 . A A . 10 DGN NE2 1 1
1 185 1 1 10 . O O -6.403 -0.438 -1.183 1.00 . A A . 10 DGN O 1 1
1 186 1 1 10 . OE1 O -7.277 -5.077 1.462 1.00 . A A . 10 DGN OE1 1 1
1 187 1 1 11 GLY C C -4.274 1.360 -0.843 1.00 . A A . 11 GLY C 1 1
1 188 1 1 11 GLY CA C -3.728 0.108 -1.512 1.00 . A A . 11 GLY CA 1 1
1 189 1 1 11 GLY H H -3.665 -1.823 -0.643 1.00 . A A . 11 GLY H 1 1
1 190 1 1 11 GLY HA2 H -2.654 0.095 -1.401 1.00 . A A . 11 GLY HA2 1 1
1 191 1 1 11 GLY HA3 H -3.968 0.137 -2.563 1.00 . A A . 11 GLY HA3 1 1
1 192 1 1 11 GLY N N -4.271 -1.114 -0.945 1.00 . A A . 11 GLY N 1 1
1 193 1 1 11 GLY O O -4.312 1.434 0.384 1.00 . A A . 11 GLY O 1 1
1 194 1 1 12 PRO C C -6.701 3.463 -0.638 1.00 . A A . 12 PRO C 1 1
1 195 1 1 12 PRO CA C -5.252 3.608 -1.073 1.00 . A A . 12 PRO CA 1 1
1 196 1 1 12 PRO CB C -5.139 4.576 -2.246 1.00 . A A . 12 PRO CB 1 1
1 197 1 1 12 PRO CD C -4.749 2.369 -3.104 1.00 . A A . 12 PRO CD 1 1
1 198 1 1 12 PRO CG C -5.320 3.721 -3.452 1.00 . A A . 12 PRO CG 1 1
1 199 1 1 12 PRO HA H -4.658 3.965 -0.245 1.00 . A A . 12 PRO HA 1 1
1 200 1 1 12 PRO HB2 H -5.911 5.329 -2.172 1.00 . A A . 12 PRO HB2 1 1
1 201 1 1 12 PRO HB3 H -4.167 5.044 -2.238 1.00 . A A . 12 PRO HB3 1 1
1 202 1 1 12 PRO HD2 H -5.391 1.583 -3.475 1.00 . A A . 12 PRO HD2 1 1
1 203 1 1 12 PRO HD3 H -3.755 2.266 -3.510 1.00 . A A . 12 PRO HD3 1 1
1 204 1 1 12 PRO HG2 H -6.372 3.634 -3.684 1.00 . A A . 12 PRO HG2 1 1
1 205 1 1 12 PRO HG3 H -4.785 4.148 -4.287 1.00 . A A . 12 PRO HG3 1 1
1 206 1 1 12 PRO N N -4.718 2.365 -1.625 1.00 . A A . 12 PRO N 1 1
1 207 1 1 12 PRO O O -7.228 4.296 0.097 1.00 . A A . 12 PRO O 1 1
1 208 1 1 13 SER C C -8.895 1.919 0.731 1.00 . A A . 13 SER C 1 1
1 209 1 1 13 SER CA C -8.729 2.131 -0.768 1.00 . A A . 13 SER CA 1 1
1 210 1 1 13 SER CB C -9.226 0.902 -1.526 1.00 . A A . 13 SER CB 1 1
1 211 1 1 13 SER H H -6.860 1.768 -1.682 1.00 . A A . 13 SER H 1 1
1 212 1 1 13 SER HA H -9.312 2.989 -1.066 1.00 . A A . 13 SER HA 1 1
1 213 1 1 13 SER HB2 H -8.756 0.018 -1.124 1.00 . A A . 13 SER HB2 1 1
1 214 1 1 13 SER HB3 H -10.297 0.823 -1.417 1.00 . A A . 13 SER HB3 1 1
1 215 1 1 13 SER HG H -9.267 1.817 -3.257 1.00 . A A . 13 SER HG 1 1
1 216 1 1 13 SER N N -7.338 2.396 -1.101 1.00 . A A . 13 SER N 1 1
1 217 1 1 13 SER O O -9.462 2.758 1.428 1.00 . A A . 13 SER O 1 1
1 218 1 1 13 SER OG O -8.913 0.998 -2.904 1.00 . A A . 13 SER OG 1 1
1 219 1 1 14 SER C C -7.132 0.625 3.312 1.00 . A A . 14 SER C 1 1
1 220 1 1 14 SER CA C -8.488 0.470 2.635 1.00 . A A . 14 SER CA 1 1
1 221 1 1 14 SER CB C -9.013 -0.954 2.820 1.00 . A A . 14 SER CB 1 1
1 222 1 1 14 SER H H -7.954 0.162 0.613 1.00 . A A . 14 SER H 1 1
1 223 1 1 14 SER HA H -9.183 1.162 3.087 1.00 . A A . 14 SER HA 1 1
1 224 1 1 14 SER HB2 H -8.846 -1.267 3.839 1.00 . A A . 14 SER HB2 1 1
1 225 1 1 14 SER HB3 H -10.071 -0.976 2.605 1.00 . A A . 14 SER HB3 1 1
1 226 1 1 14 SER HG H -8.958 -2.142 1.265 1.00 . A A . 14 SER HG 1 1
1 227 1 1 14 SER N N -8.396 0.792 1.219 1.00 . A A . 14 SER N 1 1
1 228 1 1 14 SER O O -6.818 -0.084 4.268 1.00 . A A . 14 SER O 1 1
1 229 1 1 14 SER OG O -8.352 -1.856 1.953 1.00 . A A . 14 SER OG 1 1
1 230 1 1 15 GLY C C -4.742 3.263 3.628 1.00 . A A . 15 GLY C 1 1
1 231 1 1 15 GLY CA C -5.018 1.794 3.377 1.00 . A A . 15 GLY CA 1 1
1 232 1 1 15 GLY H H -6.640 2.101 2.052 1.00 . A A . 15 GLY H 1 1
1 233 1 1 15 GLY HA2 H -4.942 1.260 4.313 1.00 . A A . 15 GLY HA2 1 1
1 234 1 1 15 GLY HA3 H -4.273 1.411 2.696 1.00 . A A . 15 GLY HA3 1 1
1 235 1 1 15 GLY N N -6.333 1.562 2.811 1.00 . A A . 15 GLY N 1 1
1 236 1 1 15 GLY O O -5.232 3.836 4.601 1.00 . A A . 15 GLY O 1 1
1 237 1 1 16 ARG C C -3.294 5.892 1.518 1.00 . A A . 16 ARG C 1 1
1 238 1 1 16 ARG CA C -3.611 5.282 2.881 1.00 . A A . 16 ARG CA 1 1
1 239 1 1 16 ARG CB C -2.401 5.438 3.805 1.00 . A A . 16 ARG CB 1 1
1 240 1 1 16 ARG CD C 0.081 5.167 4.105 1.00 . A A . 16 ARG CD 1 1
1 241 1 1 16 ARG CG C -1.117 4.872 3.220 1.00 . A A . 16 ARG CG 1 1
1 242 1 1 16 ARG CZ C 0.989 4.313 6.223 1.00 . A A . 16 ARG CZ 1 1
1 243 1 1 16 ARG H H -3.604 3.363 1.988 1.00 . A A . 16 ARG H 1 1
1 244 1 1 16 ARG HA H -4.457 5.796 3.312 1.00 . A A . 16 ARG HA 1 1
1 245 1 1 16 ARG HB2 H -2.249 6.489 4.006 1.00 . A A . 16 ARG HB2 1 1
1 246 1 1 16 ARG HB3 H -2.604 4.928 4.735 1.00 . A A . 16 ARG HB3 1 1
1 247 1 1 16 ARG HD2 H 0.970 4.788 3.624 1.00 . A A . 16 ARG HD2 1 1
1 248 1 1 16 ARG HD3 H 0.168 6.237 4.228 1.00 . A A . 16 ARG HD3 1 1
1 249 1 1 16 ARG HE H -0.942 4.299 5.722 1.00 . A A . 16 ARG HE 1 1
1 250 1 1 16 ARG HG2 H -1.221 3.803 3.118 1.00 . A A . 16 ARG HG2 1 1
1 251 1 1 16 ARG HG3 H -0.952 5.314 2.248 1.00 . A A . 16 ARG HG3 1 1
1 252 1 1 16 ARG HH11 H 2.370 5.055 4.948 1.00 . A A . 16 ARG HH11 1 1
1 253 1 1 16 ARG HH12 H 2.992 4.454 6.449 1.00 . A A . 16 ARG HH12 1 1
1 254 1 1 16 ARG HH21 H -0.130 3.508 7.699 1.00 . A A . 16 ARG HH21 1 1
1 255 1 1 16 ARG HH22 H 1.572 3.577 8.011 1.00 . A A . 16 ARG HH22 1 1
1 256 1 1 16 ARG N N -3.958 3.872 2.747 1.00 . A A . 16 ARG N 1 1
1 257 1 1 16 ARG NE N -0.043 4.549 5.421 1.00 . A A . 16 ARG NE 1 1
1 258 1 1 16 ARG NH1 N 2.217 4.633 5.842 1.00 . A A . 16 ARG NH1 1 1
1 259 1 1 16 ARG NH2 N 0.794 3.753 7.408 1.00 . A A . 16 ARG NH2 1 1
1 260 1 1 16 ARG O O -2.927 5.175 0.587 1.00 . A A . 16 ARG O 1 1
1 261 1 1 17 PRO C C -1.731 7.559 -0.369 1.00 . A A . 17 PRO C 1 1
1 262 1 1 17 PRO CA C -3.134 7.910 0.119 1.00 . A A . 17 PRO CA 1 1
1 263 1 1 17 PRO CB C -3.219 9.393 0.487 1.00 . A A . 17 PRO CB 1 1
1 264 1 1 17 PRO CD C -3.890 8.162 2.423 1.00 . A A . 17 PRO CD 1 1
1 265 1 1 17 PRO CG C -4.126 9.440 1.667 1.00 . A A . 17 PRO CG 1 1
1 266 1 1 17 PRO HA H -3.860 7.676 -0.644 1.00 . A A . 17 PRO HA 1 1
1 267 1 1 17 PRO HB2 H -2.234 9.763 0.730 1.00 . A A . 17 PRO HB2 1 1
1 268 1 1 17 PRO HB3 H -3.625 9.950 -0.344 1.00 . A A . 17 PRO HB3 1 1
1 269 1 1 17 PRO HD2 H -3.127 8.304 3.174 1.00 . A A . 17 PRO HD2 1 1
1 270 1 1 17 PRO HD3 H -4.808 7.817 2.876 1.00 . A A . 17 PRO HD3 1 1
1 271 1 1 17 PRO HG2 H -3.881 10.292 2.285 1.00 . A A . 17 PRO HG2 1 1
1 272 1 1 17 PRO HG3 H -5.153 9.497 1.339 1.00 . A A . 17 PRO HG3 1 1
1 273 1 1 17 PRO N N -3.434 7.226 1.378 1.00 . A A . 17 PRO N 1 1
1 274 1 1 17 PRO O O -0.796 7.550 0.429 1.00 . A A . 17 PRO O 1 1
1 275 1 1 18 PRO C C 0.907 7.621 -1.624 1.00 . A A . 18 PRO C 1 1
1 276 1 1 18 PRO CA C -0.276 6.902 -2.264 1.00 . A A . 18 PRO CA 1 1
1 277 1 1 18 PRO CB C -0.435 7.323 -3.719 1.00 . A A . 18 PRO CB 1 1
1 278 1 1 18 PRO CD C -2.623 7.327 -2.713 1.00 . A A . 18 PRO CD 1 1
1 279 1 1 18 PRO CG C -1.881 7.109 -4.011 1.00 . A A . 18 PRO CG 1 1
1 280 1 1 18 PRO HA H -0.117 5.835 -2.216 1.00 . A A . 18 PRO HA 1 1
1 281 1 1 18 PRO HB2 H -0.156 8.361 -3.830 1.00 . A A . 18 PRO HB2 1 1
1 282 1 1 18 PRO HB3 H 0.190 6.706 -4.347 1.00 . A A . 18 PRO HB3 1 1
1 283 1 1 18 PRO HD2 H -3.109 8.291 -2.716 1.00 . A A . 18 PRO HD2 1 1
1 284 1 1 18 PRO HD3 H -3.346 6.541 -2.558 1.00 . A A . 18 PRO HD3 1 1
1 285 1 1 18 PRO HG2 H -2.212 7.819 -4.753 1.00 . A A . 18 PRO HG2 1 1
1 286 1 1 18 PRO HG3 H -2.036 6.100 -4.364 1.00 . A A . 18 PRO HG3 1 1
1 287 1 1 18 PRO N N -1.566 7.277 -1.682 1.00 . A A . 18 PRO N 1 1
1 288 1 1 18 PRO O O 1.229 8.750 -1.995 1.00 . A A . 18 PRO O 1 1
1 289 1 1 19 PRO C C 4.002 7.367 -0.757 1.00 . A A . 19 PRO C 1 1
1 290 1 1 19 PRO CA C 2.719 7.561 0.034 1.00 . A A . 19 PRO CA 1 1
1 291 1 1 19 PRO CB C 2.769 6.781 1.343 1.00 . A A . 19 PRO CB 1 1
1 292 1 1 19 PRO CD C 1.273 5.618 -0.141 1.00 . A A . 19 PRO CD 1 1
1 293 1 1 19 PRO CG C 2.252 5.427 0.992 1.00 . A A . 19 PRO CG 1 1
1 294 1 1 19 PRO HA H 2.570 8.612 0.236 1.00 . A A . 19 PRO HA 1 1
1 295 1 1 19 PRO HB2 H 3.787 6.736 1.701 1.00 . A A . 19 PRO HB2 1 1
1 296 1 1 19 PRO HB3 H 2.143 7.263 2.079 1.00 . A A . 19 PRO HB3 1 1
1 297 1 1 19 PRO HD2 H 1.437 4.876 -0.908 1.00 . A A . 19 PRO HD2 1 1
1 298 1 1 19 PRO HD3 H 0.259 5.563 0.226 1.00 . A A . 19 PRO HD3 1 1
1 299 1 1 19 PRO HG2 H 3.068 4.795 0.676 1.00 . A A . 19 PRO HG2 1 1
1 300 1 1 19 PRO HG3 H 1.753 4.993 1.846 1.00 . A A . 19 PRO HG3 1 1
1 301 1 1 19 PRO N N 1.575 6.975 -0.649 1.00 . A A . 19 PRO N 1 1
1 302 1 1 19 PRO O O 3.967 7.094 -1.957 1.00 . A A . 19 PRO O 1 1
1 303 1 1 20 SER C C 6.920 5.913 -0.561 1.00 . A A . 20 SER C 1 1
1 304 1 1 20 SER CA C 6.422 7.340 -0.732 1.00 . A A . 20 SER CA 1 1
1 305 1 1 20 SER CB C 7.439 8.324 -0.160 1.00 . A A . 20 SER CB 1 1
1 306 1 1 20 SER H H 5.100 7.731 0.870 1.00 . A A . 20 SER H 1 1
1 307 1 1 20 SER HA H 6.292 7.540 -1.785 1.00 . A A . 20 SER HA 1 1
1 308 1 1 20 SER HB2 H 7.067 9.332 -0.274 1.00 . A A . 20 SER HB2 1 1
1 309 1 1 20 SER HB3 H 7.592 8.113 0.888 1.00 . A A . 20 SER HB3 1 1
1 310 1 1 20 SER HG H 9.391 8.449 -0.232 1.00 . A A . 20 SER HG 1 1
1 311 1 1 20 SER N N 5.133 7.509 -0.084 1.00 . A A . 20 SER N 1 1
1 312 1 1 20 SER O O 7.653 5.655 0.415 1.00 . A A . 20 SER O 1 1
1 313 1 1 20 SER OXT O 6.566 5.061 -1.402 1.00 . A A . 20 SER OXT 1 1
1 314 1 1 20 SER OG O 8.679 8.217 -0.833 1.00 . A A . 20 SER OG 1 1
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