NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
470640 |
1aoo   |
cing | 4-filtered-FRED | STAR | entry | full | 219 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1aoo
# This FRED archive file contains, for PDB entry <1aoo>:
#
# - 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.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_1aoo
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1aoo
_Assembly.Number_of_components 8
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 5014.61
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 $AG_METALLOTHIONEIN A . 1 1
2 . 2 $SILVER_ION B . 1 1
3 . 2 $SILVER_ION C . 1 1
4 . 2 $SILVER_ION D . 1 1
5 . 2 $SILVER_ION E . 1 1
6 . 2 $SILVER_ION F . 1 1
7 . 2 $SILVER_ION G . 1 1
8 . 2 $SILVER_ION H . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 AG 1 AG 1 1
3 2 AG 1 AG 1 1
4 2 AG 1 AG 1 1
5 2 AG 1 AG 1 1
6 2 AG 1 AG 1 1
7 2 AG 1 AG 1 1
8 2 AG 1 AG 1 1
stop_
save_
save_AG_METALLOTHIONEIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "AG METALLOTHIONEIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code QNEGHECQCQCGSCKNNEQCQKSCSCPTGCNSDDKCPCGN
_Entity.Number_of_monomers 40
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 GLN . 1 1
2 ASN . 1 1
3 GLU . 1 1
4 GLY . 1 1
5 HIS . 1 1
6 GLU . 1 1
7 CYS . 1 1
8 GLN . 1 1
9 CYS . 1 1
10 GLN . 1 1
11 CYS . 1 1
12 GLY . 1 1
13 SER . 1 1
14 CYS . 1 1
15 LYS . 1 1
16 ASN . 1 1
17 ASN . 1 1
18 GLU . 1 1
19 GLN . 1 1
20 CYS . 1 1
21 GLN . 1 1
22 LYS . 1 1
23 SER . 1 1
24 CYS . 1 1
25 SER . 1 1
26 CYS . 1 1
27 PRO . 1 1
28 THR . 1 1
29 GLY . 1 1
30 CYS . 1 1
31 ASN . 1 1
32 SER . 1 1
33 ASP . 1 1
34 ASP . 1 1
35 LYS . 1 1
36 CYS . 1 1
37 PRO . 1 1
38 CYS . 1 1
39 GLY . 1 1
40 ASN . 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
GLN 1 1 1 1
ASN 2 2 1 1
GLU 3 3 1 1
GLY 4 4 1 1
HIS 5 5 1 1
GLU 6 6 1 1
CYS 7 7 1 1
GLN 8 8 1 1
CYS 9 9 1 1
GLN 10 10 1 1
CYS 11 11 1 1
GLY 12 12 1 1
SER 13 13 1 1
CYS 14 14 1 1
LYS 15 15 1 1
ASN 16 16 1 1
ASN 17 17 1 1
GLU 18 18 1 1
GLN 19 19 1 1
CYS 20 20 1 1
GLN 21 21 1 1
LYS 22 22 1 1
SER 23 23 1 1
CYS 24 24 1 1
SER 25 25 1 1
CYS 26 26 1 1
PRO 27 27 1 1
THR 28 28 1 1
GLY 29 29 1 1
CYS 30 30 1 1
ASN 31 31 1 1
SER 32 32 1 1
ASP 33 33 1 1
ASP 34 34 1 1
LYS 35 35 1 1
CYS 36 36 1 1
PRO 37 37 1 1
CYS 38 38 1 1
GLY 39 39 1 1
ASN 40 40 1 1
stop_
save_
save_SILVER_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "SILVER ION"
_Entity.Type non-polymer
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 AG $AG 1 2
stop_
save_
save_AG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID AG
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 7 CYS SG . 7 . SG 1 1
1 1 2 1 1 20 CYS SG . 20 . SG 1 1
2 1 1 1 1 7 CYS SG . 7 . SG 1 1
2 1 2 1 1 9 CYS SG . 9 . SG 1 1
3 1 1 1 1 9 CYS SG . 9 . SG 1 1
3 1 2 1 1 24 CYS SG . 24 . SG 1 1
4 1 1 1 1 7 CYS SG . 7 . SG 1 1
4 1 2 1 1 24 CYS SG . 24 . SG 1 1
5 1 1 1 1 24 CYS SG . 24 . SG 1 1
5 1 2 1 1 38 CYS SG . 38 . SG 1 1
6 1 1 1 1 14 CYS SG . 14 . SG 1 1
6 1 2 1 1 38 CYS SG . 38 . SG 1 1
7 1 1 1 1 14 CYS SG . 14 . SG 1 1
7 1 2 1 1 36 CYS SG . 36 . SG 1 1
8 1 1 1 1 11 CYS SG . 11 . SG 1 1
8 1 2 1 1 14 CYS SG . 14 . SG 1 1
9 1 1 1 1 11 CYS SG . 11 . SG 1 1
9 1 2 1 1 30 CYS SG . 30 . SG 1 1
10 1 1 1 1 11 CYS SG . 11 . SG 1 1
10 1 2 1 1 36 CYS SG . 36 . SG 1 1
11 1 1 1 1 26 CYS SG . 26 . SG 1 1
11 1 2 1 1 30 CYS SG . 30 . SG 1 1
12 1 1 1 1 30 CYS SG . 30 . SG 1 1
12 1 2 1 1 36 CYS SG . 36 . SG 1 1
13 1 1 1 1 26 CYS SG . 26 . SG 1 1
13 1 2 1 1 38 CYS SG . 38 . SG 1 1
14 1 1 1 1 26 CYS SG . 26 . SG 1 1
14 1 2 1 1 36 CYS SG . 36 . SG 1 1
15 1 1 1 1 24 CYS SG . 24 . SG 1 1
15 1 2 1 1 26 CYS SG . 26 . SG 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 . . . . . 5.0 5.0 5.0 1 1
2 1 . . . . . 4.33 3.88 4.78 1 1
3 1 . . . . . 4.33 3.88 4.78 1 1
4 1 . . . . . 4.33 3.88 4.78 1 1
5 1 . . . . . 4.33 3.88 4.78 1 1
6 1 . . . . . 4.33 3.88 4.78 1 1
7 1 . . . . . 4.33 3.88 4.78 1 1
8 1 . . . . . 4.33 3.88 4.78 1 1
9 1 . . . . . 5.0 5.0 5.0 1 1
10 1 . . . . . 4.33 3.88 4.78 1 1
11 1 . . . . . 4.33 3.88 4.78 1 1
12 1 . . . . . 4.33 3.88 4.78 1 1
13 1 . . . . . 4.33 3.88 4.78 1 1
14 1 . . . . . 4.33 3.88 4.78 1 1
15 1 . . . . . 4.33 3.88 4.78 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 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
189 1 . . . 1 2
190 1 . . . 1 2
191 1 . . . 1 2
192 1 . . . 1 2
193 1 . . . 1 2
194 1 . . . 1 2
195 1 . . . 1 2
196 1 . . . 1 2
197 1 . . . 1 2
198 1 . . . 1 2
199 1 . . . 1 2
200 1 . . . 1 2
201 1 . . . 1 2
202 1 . . . 1 2
203 1 . . . 1 2
204 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 1 GLN HA . 1 . HA 1 2
1 1 2 1 1 2 ASN H . 2 . HN 1 2
2 1 1 1 1 1 GLN H1 . 1 . HT* 1 2
2 1 2 1 1 2 ASN H . 2 . HN 1 2
3 1 1 1 1 2 ASN HA . 2 . HA 1 2
3 1 2 1 1 3 GLU H . 3 . HN 1 2
4 1 1 1 1 2 ASN QB . 2 . HB# 1 2
4 1 2 1 1 3 GLU H . 3 . HN 1 2
5 1 1 1 1 3 GLU HA . 3 . HA 1 2
5 1 2 1 1 4 GLY H . 4 . HN 1 2
6 1 1 1 1 3 GLU HA . 3 . HA 1 2
6 1 2 1 1 5 HIS HE1 . 5 . HE1 1 2
7 1 1 1 1 3 GLU H . 3 . HN 1 2
7 1 2 1 1 4 GLY H . 4 . HN 1 2
8 1 1 1 1 3 GLU HA . 3 . HA 1 2
8 1 2 1 1 5 HIS HD2 . 5 . HD2 1 2
9 1 1 1 1 3 GLU H . 3 . HN 1 2
9 1 2 1 1 3 GLU QB . 3 . HB# 1 2
10 1 1 1 1 3 GLU H . 3 . HN 1 2
10 1 2 1 1 3 GLU QG . 3 . HG# 1 2
11 1 1 1 1 3 GLU QG . 3 . HG# 1 2
11 1 2 1 1 4 GLY H . 4 . HN 1 2
12 1 1 1 1 4 GLY QA . 4 . HA# 1 2
12 1 2 1 1 5 HIS H . 5 . HN 1 2
13 1 1 1 1 5 HIS HA . 5 . HA 1 2
13 1 2 1 1 6 GLU H . 6 . HN 1 2
14 1 1 1 1 5 HIS H . 5 . HN 1 2
14 1 2 1 1 6 GLU H . 6 . HN 1 2
15 1 1 1 1 5 HIS QB . 5 . HB# 1 2
15 1 2 1 1 6 GLU H . 6 . HN 1 2
16 1 1 1 1 5 HIS HD2 . 5 . HD2 1 2
16 1 2 1 1 28 THR MG . 28 . HG2# 1 2
17 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
17 1 2 1 1 28 THR MG . 28 . HG2# 1 2
18 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
18 1 2 1 1 26 CYS HB2 . 26 . HB2 1 2
19 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
19 1 2 1 1 8 GLN H . 8 . HN 1 2
20 1 1 1 1 5 HIS HD2 . 5 . HD2 1 2
20 1 2 1 1 8 GLN H . 8 . HN 1 2
21 1 1 1 1 5 HIS HD2 . 5 . HD2 1 2
21 1 2 1 1 25 SER HA . 25 . HA 1 2
22 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
22 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
23 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
23 1 2 1 1 26 CYS H . 26 . HN 1 2
24 1 1 1 1 5 HIS H . 5 . HN 1 2
24 1 2 1 1 23 SER HA . 23 . HA 1 2
25 1 1 1 1 5 HIS QB . 5 . HB# 1 2
25 1 2 1 1 5 HIS HD2 . 5 . HD2 1 2
26 1 1 1 1 6 GLU HA . 6 . HA 1 2
26 1 2 1 1 7 CYS H . 7 . HN 1 2
27 1 1 1 1 6 GLU H . 6 . HN 1 2
27 1 2 1 1 7 CYS H . 7 . HN 1 2
28 1 1 1 1 6 GLU QB . 6 . HB# 1 2
28 1 2 1 1 7 CYS H . 7 . HN 1 2
29 1 1 1 1 6 GLU H . 6 . HN 1 2
29 1 2 1 1 6 GLU QG . 6 . HG# 1 2
30 1 1 1 1 6 GLU QB . 6 . HB# 1 2
30 1 2 1 1 8 GLN QE . 8 . HE2# 1 2
31 1 1 1 1 6 GLU QG . 6 . HG# 1 2
31 1 2 1 1 7 CYS H . 7 . HN 1 2
32 1 1 1 1 7 CYS H . 7 . HN 1 2
32 1 2 1 1 21 GLN HA . 21 . HA 1 2
33 1 1 1 1 7 CYS HA . 7 . HA 1 2
33 1 2 1 1 8 GLN H . 8 . HN 1 2
34 1 1 1 1 7 CYS H . 7 . HN 1 2
34 1 2 1 1 8 GLN H . 8 . HN 1 2
35 1 1 1 1 7 CYS HB3 . 7 . HB1 1 2
35 1 2 1 1 8 GLN H . 8 . HN 1 2
36 1 1 1 1 7 CYS HB2 . 7 . HB2 1 2
36 1 2 1 1 8 GLN H . 8 . HN 1 2
37 1 1 1 1 7 CYS HB3 . 7 . HB1 1 2
37 1 2 1 1 21 GLN HA . 21 . HA 1 2
38 1 1 1 1 7 CYS H . 7 . HN 1 2
38 1 2 1 1 7 CYS HB3 . 7 . HB1 1 2
39 1 1 1 1 7 CYS H . 7 . HN 1 2
39 1 2 1 1 7 CYS HB2 . 7 . HB2 1 2
40 1 1 1 1 8 GLN HA . 8 . HA 1 2
40 1 2 1 1 9 CYS H . 9 . HN 1 2
41 1 1 1 1 8 GLN H . 8 . HN 1 2
41 1 2 1 1 9 CYS H . 9 . HN 1 2
42 1 1 1 1 8 GLN QB . 8 . HB# 1 2
42 1 2 1 1 9 CYS H . 9 . HN 1 2
43 1 1 1 1 8 GLN H . 8 . HN 1 2
43 1 2 1 1 8 GLN QG . 8 . HG# 1 2
44 1 1 1 1 8 GLN QE . 8 . HE2# 1 2
44 1 2 1 1 28 THR MG . 28 . HG2# 1 2
45 1 1 1 1 8 GLN H . 8 . HN 1 2
45 1 2 1 1 9 CYS HB2 . 9 . HB2 1 2
46 1 1 1 1 9 CYS HA . 9 . HA 1 2
46 1 2 1 1 10 GLN H . 10 . HN 1 2
47 1 1 1 1 9 CYS H . 9 . HN 1 2
47 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
48 1 1 1 1 9 CYS H . 9 . HN 1 2
48 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
49 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
49 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
50 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
50 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
51 1 1 1 1 9 CYS H . 9 . HN 1 2
51 1 2 1 1 9 CYS HB2 . 9 . HB2 1 2
52 1 1 1 1 9 CYS H . 9 . HN 1 2
52 1 2 1 1 9 CYS HB3 . 9 . HB1 1 2
53 1 1 1 1 10 GLN HA . 10 . HA 1 2
53 1 2 1 1 11 CYS H . 11 . HN 1 2
54 1 1 1 1 10 GLN H . 10 . HN 1 2
54 1 2 1 1 10 GLN QG . 10 . HG# 1 2
55 1 1 1 1 10 GLN HA . 10 . HA 1 2
55 1 2 1 1 10 GLN QE . 10 . HE2# 1 2
56 1 1 1 1 11 CYS H . 11 . HN 1 2
56 1 2 1 1 11 CYS HB3 . 11 . HB1 1 2
57 1 1 1 1 11 CYS H . 11 . HN 1 2
57 1 2 1 1 11 CYS HB2 . 11 . HB2 1 2
58 1 1 1 1 11 CYS HA . 11 . HA 1 2
58 1 2 1 1 12 GLY H . 12 . HN 1 2
59 1 1 1 1 11 CYS HA . 11 . HA 1 2
59 1 2 1 1 13 SER H . 13 . HN 1 2
60 1 1 1 1 11 CYS H . 11 . HN 1 2
60 1 2 1 1 12 GLY H . 12 . HN 1 2
61 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
61 1 2 1 1 12 GLY H . 12 . HN 1 2
62 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
62 1 2 1 1 13 SER H . 13 . HN 1 2
63 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
63 1 2 1 1 14 CYS H . 14 . HN 1 2
64 1 1 1 1 12 GLY QA . 12 . HA# 1 2
64 1 2 1 1 13 SER H . 13 . HN 1 2
65 1 1 1 1 12 GLY QA . 12 . HA# 1 2
65 1 2 1 1 14 CYS H . 14 . HN 1 2
66 1 1 1 1 12 GLY H . 12 . HN 1 2
66 1 2 1 1 13 SER H . 13 . HN 1 2
67 1 1 1 1 12 GLY H . 12 . HN 1 2
67 1 2 1 1 14 CYS H . 14 . HN 1 2
68 1 1 1 1 12 GLY H . 12 . HN 1 2
68 1 2 1 1 15 LYS QD . 15 . HD# 1 2
69 1 1 1 1 12 GLY H . 12 . HN 1 2
69 1 2 1 1 15 LYS QG . 15 . HG# 1 2
70 1 1 1 1 12 GLY H . 12 . HN 1 2
70 1 2 1 1 15 LYS QB . 15 . HB# 1 2
71 1 1 1 1 13 SER HA . 13 . HA 1 2
71 1 2 1 1 14 CYS H . 14 . HN 1 2
72 1 1 1 1 13 SER H . 13 . HN 1 2
72 1 2 1 1 14 CYS H . 14 . HN 1 2
73 1 1 1 1 13 SER H . 13 . HN 1 2
73 1 2 1 1 15 LYS H . 15 . HN 1 2
74 1 1 1 1 13 SER QB . 13 . HB# 1 2
74 1 2 1 1 14 CYS H . 14 . HN 1 2
75 1 1 1 1 14 CYS HA . 14 . HA 1 2
75 1 2 1 1 16 ASN H . 16 . HN 1 2
76 1 1 1 1 14 CYS H . 14 . HN 1 2
76 1 2 1 1 15 LYS H . 15 . HN 1 2
77 1 1 1 1 14 CYS HB3 . 14 . HB1 1 2
77 1 2 1 1 15 LYS H . 15 . HN 1 2
78 1 1 1 1 14 CYS HB2 . 14 . HB2 1 2
78 1 2 1 1 15 LYS H . 15 . HN 1 2
79 1 1 1 1 14 CYS H . 14 . HN 1 2
79 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
80 1 1 1 1 14 CYS H . 14 . HN 1 2
80 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
81 1 1 1 1 15 LYS HA . 15 . HA 1 2
81 1 2 1 1 16 ASN H . 16 . HN 1 2
82 1 1 1 1 15 LYS H . 15 . HN 1 2
82 1 2 1 1 16 ASN H . 16 . HN 1 2
83 1 1 1 1 15 LYS H . 15 . HN 1 2
83 1 2 1 1 15 LYS QB . 15 . HB# 1 2
84 1 1 1 1 15 LYS H . 15 . HN 1 2
84 1 2 1 1 15 LYS QG . 15 . HG# 1 2
85 1 1 1 1 15 LYS QE . 15 . HE# 1 2
85 1 2 1 1 16 ASN QD . 16 . HD2# 1 2
86 1 1 1 1 15 LYS QG . 15 . HG# 1 2
86 1 2 1 1 16 ASN QD . 16 . HD2# 1 2
87 1 1 1 1 17 ASN HA . 17 . HA 1 2
87 1 2 1 1 18 GLU H . 18 . HN 1 2
88 1 1 1 1 17 ASN HA . 17 . HA 1 2
88 1 2 1 1 19 GLN H . 19 . HN 1 2
89 1 1 1 1 17 ASN H . 17 . HN 1 2
89 1 2 1 1 18 GLU H . 18 . HN 1 2
90 1 1 1 1 17 ASN QB . 17 . HB# 1 2
90 1 2 1 1 18 GLU H . 18 . HN 1 2
91 1 1 1 1 18 GLU HA . 18 . HA 1 2
91 1 2 1 1 19 GLN H . 19 . HN 1 2
92 1 1 1 1 18 GLU HA . 18 . HA 1 2
92 1 2 1 1 20 CYS H . 20 . HN 1 2
93 1 1 1 1 18 GLU HA . 18 . HA 1 2
93 1 2 1 1 21 GLN H . 21 . HN 1 2
94 1 1 1 1 18 GLU H . 18 . HN 1 2
94 1 2 1 1 19 GLN H . 19 . HN 1 2
95 1 1 1 1 18 GLU H . 18 . HN 1 2
95 1 2 1 1 18 GLU QB . 18 . HB# 1 2
96 1 1 1 1 18 GLU H . 18 . HN 1 2
96 1 2 1 1 18 GLU QG . 18 . HG# 1 2
97 1 1 1 1 18 GLU HA . 18 . HA 1 2
97 1 2 1 1 21 GLN QG . 21 . HG# 1 2
98 1 1 1 1 19 GLN HA . 19 . HA 1 2
98 1 2 1 1 20 CYS H . 20 . HN 1 2
99 1 1 1 1 19 GLN H . 19 . HN 1 2
99 1 2 1 1 20 CYS H . 20 . HN 1 2
100 1 1 1 1 19 GLN H . 19 . HN 1 2
100 1 2 1 1 21 GLN H . 21 . HN 1 2
101 1 1 1 1 19 GLN QB . 19 . HB# 1 2
101 1 2 1 1 20 CYS H . 20 . HN 1 2
102 1 1 1 1 19 GLN H . 19 . HN 1 2
102 1 2 1 1 19 GLN QB . 19 . HB# 1 2
103 1 1 1 1 19 GLN H . 19 . HN 1 2
103 1 2 1 1 19 GLN QG . 19 . HG# 1 2
104 1 1 1 1 20 CYS HA . 20 . HA 1 2
104 1 2 1 1 21 GLN H . 21 . HN 1 2
105 1 1 1 1 20 CYS HA . 20 . HA 1 2
105 1 2 1 1 23 SER H . 23 . HN 1 2
106 1 1 1 1 20 CYS H . 20 . HN 1 2
106 1 2 1 1 21 GLN H . 21 . HN 1 2
107 1 1 1 1 20 CYS H . 20 . HN 1 2
107 1 2 1 1 22 LYS H . 22 . HN 1 2
108 1 1 1 1 20 CYS H . 20 . HN 1 2
108 1 2 1 1 20 CYS HB3 . 20 . HB1 1 2
109 1 1 1 1 20 CYS H . 20 . HN 1 2
109 1 2 1 1 20 CYS HB2 . 20 . HB2 1 2
110 1 1 1 1 21 GLN HA . 21 . HA 1 2
110 1 2 1 1 22 LYS H . 22 . HN 1 2
111 1 1 1 1 21 GLN H . 21 . HN 1 2
111 1 2 1 1 22 LYS H . 22 . HN 1 2
112 1 1 1 1 21 GLN QB . 21 . HB# 1 2
112 1 2 1 1 22 LYS H . 22 . HN 1 2
113 1 1 1 1 21 GLN HA . 21 . HA 1 2
113 1 2 1 1 21 GLN QE . 21 . HE2# 1 2
114 1 1 1 1 21 GLN H . 21 . HN 1 2
114 1 2 1 1 22 LYS QD . 22 . HD# 1 2
115 1 1 1 1 21 GLN H . 21 . HN 1 2
115 1 2 1 1 21 GLN QB . 21 . HB# 1 2
116 1 1 1 1 21 GLN H . 21 . HN 1 2
116 1 2 1 1 21 GLN QG . 21 . HG# 1 2
117 1 1 1 1 22 LYS HA . 22 . HA 1 2
117 1 2 1 1 23 SER H . 23 . HN 1 2
118 1 1 1 1 22 LYS H . 22 . HN 1 2
118 1 2 1 1 23 SER H . 23 . HN 1 2
119 1 1 1 1 22 LYS QB . 22 . HB# 1 2
119 1 2 1 1 23 SER H . 23 . HN 1 2
120 1 1 1 1 22 LYS H . 22 . HN 1 2
120 1 2 1 1 22 LYS QG . 22 . HG# 1 2
121 1 1 1 1 23 SER HA . 23 . HA 1 2
121 1 2 1 1 24 CYS H . 24 . HN 1 2
122 1 1 1 1 23 SER H . 23 . HN 1 2
122 1 2 1 1 24 CYS H . 24 . HN 1 2
123 1 1 1 1 23 SER QB . 23 . HB# 1 2
123 1 2 1 1 24 CYS H . 24 . HN 1 2
124 1 1 1 1 23 SER QB . 23 . HB# 1 2
124 1 2 1 1 40 ASN QD . 40 . HD2# 1 2
125 1 1 1 1 23 SER H . 23 . HN 1 2
125 1 2 1 1 23 SER QB . 23 . HB# 1 2
126 1 1 1 1 24 CYS HA . 24 . HA 1 2
126 1 2 1 1 25 SER H . 25 . HN 1 2
127 1 1 1 1 24 CYS HA . 24 . HA 1 2
127 1 2 1 1 26 CYS H . 26 . HN 1 2
128 1 1 1 1 24 CYS H . 24 . HN 1 2
128 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
129 1 1 1 1 24 CYS H . 24 . HN 1 2
129 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
130 1 1 1 1 24 CYS HB3 . 24 . HB1 1 2
130 1 2 1 1 25 SER H . 25 . HN 1 2
131 1 1 1 1 25 SER HA . 25 . HA 1 2
131 1 2 1 1 26 CYS H . 26 . HN 1 2
132 1 1 1 1 25 SER H . 25 . HN 1 2
132 1 2 1 1 26 CYS H . 26 . HN 1 2
133 1 1 1 1 25 SER QB . 25 . HB# 1 2
133 1 2 1 1 26 CYS H . 26 . HN 1 2
134 1 1 1 1 26 CYS H . 26 . HN 1 2
134 1 2 1 1 26 CYS HB3 . 26 . HB1 1 2
135 1 1 1 1 26 CYS H . 26 . HN 1 2
135 1 2 1 1 26 CYS HB2 . 26 . HB2 1 2
136 1 1 1 1 26 CYS H . 26 . HN 1 2
136 1 2 1 1 27 PRO QD . 27 . HD# 1 2
137 1 1 1 1 26 CYS HB3 . 26 . HB1 1 2
137 1 2 1 1 30 CYS H . 30 . HN 1 2
138 1 1 1 1 27 PRO HA . 27 . HA 1 2
138 1 2 1 1 28 THR H . 28 . HN 1 2
139 1 1 1 1 27 PRO HA . 27 . HA 1 2
139 1 2 1 1 29 GLY H . 29 . HN 1 2
140 1 1 1 1 27 PRO HA . 27 . HA 1 2
140 1 2 1 1 28 THR HA . 28 . HA 1 2
141 1 1 1 1 27 PRO HA . 27 . HA 1 2
141 1 2 1 1 28 THR MG . 28 . HG2# 1 2
142 1 1 1 1 27 PRO QB . 27 . HB# 1 2
142 1 2 1 1 28 THR H . 28 . HN 1 2
143 1 1 1 1 27 PRO QG . 27 . HG# 1 2
143 1 2 1 1 28 THR H . 28 . HN 1 2
144 1 1 1 1 27 PRO QD . 27 . HD# 1 2
144 1 2 1 1 30 CYS H . 30 . HN 1 2
145 1 1 1 1 27 PRO QD . 27 . HD# 1 2
145 1 2 1 1 30 CYS QB . 30 . HB# 1 2
146 1 1 1 1 27 PRO QG . 27 . HG# 1 2
146 1 2 1 1 30 CYS H . 30 . HN 1 2
147 1 1 1 1 27 PRO QB . 27 . HB# 1 2
147 1 2 1 1 30 CYS H . 30 . HN 1 2
148 1 1 1 1 28 THR HA . 28 . HA 1 2
148 1 2 1 1 29 GLY H . 29 . HN 1 2
149 1 1 1 1 28 THR HA . 28 . HA 1 2
149 1 2 1 1 30 CYS H . 30 . HN 1 2
150 1 1 1 1 28 THR H . 28 . HN 1 2
150 1 2 1 1 29 GLY H . 29 . HN 1 2
151 1 1 1 1 28 THR H . 28 . HN 1 2
151 1 2 1 1 30 CYS H . 30 . HN 1 2
152 1 1 1 1 28 THR MG . 28 . HG2# 1 2
152 1 2 1 1 30 CYS H . 30 . HN 1 2
153 1 1 1 1 28 THR MG . 28 . HG2# 1 2
153 1 2 1 1 29 GLY H . 29 . HN 1 2
154 1 1 1 1 28 THR H . 28 . HN 1 2
154 1 2 1 1 28 THR HB . 28 . HB 1 2
155 1 1 1 1 28 THR H . 28 . HN 1 2
155 1 2 1 1 28 THR MG . 28 . HG2# 1 2
156 1 1 1 1 29 GLY QA . 29 . HA# 1 2
156 1 2 1 1 30 CYS H . 30 . HN 1 2
157 1 1 1 1 29 GLY QA . 29 . HA# 1 2
157 1 2 1 1 31 ASN QD . 31 . HD2# 1 2
158 1 1 1 1 29 GLY H . 29 . HN 1 2
158 1 2 1 1 30 CYS H . 30 . HN 1 2
159 1 1 1 1 30 CYS HA . 30 . HA 1 2
159 1 2 1 1 31 ASN H . 31 . HN 1 2
160 1 1 1 1 30 CYS HA . 30 . HA 1 2
160 1 2 1 1 32 SER H . 32 . HN 1 2
161 1 1 1 1 30 CYS H . 30 . HN 1 2
161 1 2 1 1 31 ASN H . 31 . HN 1 2
162 1 1 1 1 30 CYS H . 30 . HN 1 2
162 1 2 1 1 30 CYS HB3 . 30 . HB1 1 2
163 1 1 1 1 30 CYS H . 30 . HN 1 2
163 1 2 1 1 30 CYS HB2 . 30 . HB2 1 2
164 1 1 1 1 30 CYS HB2 . 30 . HB2 1 2
164 1 2 1 1 31 ASN H . 31 . HN 1 2
165 1 1 1 1 31 ASN H . 31 . HN 1 2
165 1 2 1 1 32 SER H . 32 . HN 1 2
166 1 1 1 1 31 ASN QB . 31 . HB# 1 2
166 1 2 1 1 32 SER H . 32 . HN 1 2
167 1 1 1 1 31 ASN H . 31 . HN 1 2
167 1 2 1 1 31 ASN QB . 31 . HB# 1 2
168 1 1 1 1 31 ASN H . 31 . HN 1 2
168 1 2 1 1 32 SER QB . 32 . HB# 1 2
169 1 1 1 1 31 ASN H . 31 . HN 1 2
169 1 2 1 1 31 ASN QD . 31 . HD2# 1 2
170 1 1 1 1 32 SER HA . 32 . HA 1 2
170 1 2 1 1 33 ASP H . 33 . HN 1 2
171 1 1 1 1 32 SER HA . 32 . HA 1 2
171 1 2 1 1 34 ASP H . 34 . HN 1 2
172 1 1 1 1 32 SER H . 32 . HN 1 2
172 1 2 1 1 33 ASP H . 33 . HN 1 2
173 1 1 1 1 32 SER QB . 32 . HB# 1 2
173 1 2 1 1 33 ASP H . 33 . HN 1 2
174 1 1 1 1 32 SER QB . 32 . HB# 1 2
174 1 2 1 1 34 ASP H . 34 . HN 1 2
175 1 1 1 1 32 SER H . 32 . HN 1 2
175 1 2 1 1 32 SER QB . 32 . HB# 1 2
176 1 1 1 1 33 ASP HA . 33 . HA 1 2
176 1 2 1 1 34 ASP H . 34 . HN 1 2
177 1 1 1 1 33 ASP H . 33 . HN 1 2
177 1 2 1 1 34 ASP H . 34 . HN 1 2
178 1 1 1 1 33 ASP QB . 33 . HB# 1 2
178 1 2 1 1 34 ASP H . 34 . HN 1 2
179 1 1 1 1 33 ASP H . 33 . HN 1 2
179 1 2 1 1 33 ASP QB . 33 . HB# 1 2
180 1 1 1 1 34 ASP HA . 34 . HA 1 2
180 1 2 1 1 35 LYS H . 35 . HN 1 2
181 1 1 1 1 34 ASP H . 34 . HN 1 2
181 1 2 1 1 36 CYS H . 36 . HN 1 2
182 1 1 1 1 34 ASP HA . 34 . HA 1 2
182 1 2 1 1 36 CYS H . 36 . HN 1 2
183 1 1 1 1 34 ASP H . 34 . HN 1 2
183 1 2 1 1 34 ASP QB . 34 . HB# 1 2
184 1 1 1 1 35 LYS HA . 35 . HA 1 2
184 1 2 1 1 36 CYS H . 36 . HN 1 2
185 1 1 1 1 35 LYS H . 35 . HN 1 2
185 1 2 1 1 36 CYS H . 36 . HN 1 2
186 1 1 1 1 36 CYS HA . 36 . HA 1 2
186 1 2 1 1 38 CYS H . 38 . HN 1 2
187 1 1 1 1 36 CYS H . 36 . HN 1 2
187 1 2 1 1 37 PRO QG . 37 . HG# 1 2
188 1 1 1 1 36 CYS H . 36 . HN 1 2
188 1 2 1 1 36 CYS HB3 . 36 . HB1 1 2
189 1 1 1 1 36 CYS H . 36 . HN 1 2
189 1 2 1 1 36 CYS HB2 . 36 . HB2 1 2
190 1 1 1 1 36 CYS HB3 . 36 . HB1 1 2
190 1 2 1 1 38 CYS H . 38 . HN 1 2
191 1 1 1 1 36 CYS HB2 . 36 . HB2 1 2
191 1 2 1 1 38 CYS H . 38 . HN 1 2
192 1 1 1 1 37 PRO HA . 37 . HA 1 2
192 1 2 1 1 38 CYS H . 38 . HN 1 2
193 1 1 1 1 37 PRO QB . 37 . HB# 1 2
193 1 2 1 1 38 CYS H . 38 . HN 1 2
194 1 1 1 1 37 PRO QG . 37 . HG# 1 2
194 1 2 1 1 38 CYS H . 38 . HN 1 2
195 1 1 1 1 37 PRO QD . 37 . HD# 1 2
195 1 2 1 1 38 CYS H . 38 . HN 1 2
196 1 1 1 1 38 CYS HA . 38 . HA 1 2
196 1 2 1 1 39 GLY H . 39 . HN 1 2
197 1 1 1 1 38 CYS HA . 38 . HA 1 2
197 1 2 1 1 40 ASN H . 40 . HN 1 2
198 1 1 1 1 38 CYS H . 38 . HN 1 2
198 1 2 1 1 39 GLY H . 39 . HN 1 2
199 1 1 1 1 38 CYS HB2 . 38 . HB2 1 2
199 1 2 1 1 39 GLY H . 39 . HN 1 2
200 1 1 1 1 38 CYS H . 38 . HN 1 2
200 1 2 1 1 38 CYS HB3 . 38 . HB1 1 2
201 1 1 1 1 38 CYS H . 38 . HN 1 2
201 1 2 1 1 38 CYS HB2 . 38 . HB2 1 2
202 1 1 1 1 39 GLY QA . 39 . HA# 1 2
202 1 2 1 1 40 ASN H . 40 . HN 1 2
203 1 1 1 1 39 GLY H . 39 . HN 1 2
203 1 2 1 1 40 ASN H . 40 . HN 1 2
204 1 1 1 1 39 GLY H . 39 . HN 1 2
204 1 2 1 1 40 ASN QD . 40 . HD2# 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.8 1.8 3.6 1 2
2 1 . . . . . 1.8 1.8 4.6 1 2
3 1 . . . . . 1.8 1.8 3.2 1 2
4 1 . . . . . 1.8 1.8 4.2 1 2
5 1 . . . . . 1.8 1.8 2.7 1 2
6 1 . . . . . 1.8 1.8 3.6 1 2
7 1 . . . . . 1.8 1.8 3.6 1 2
8 1 . . . . . 1.8 1.8 3.6 1 2
9 1 . . . . . 1.8 1.8 3.7 1 2
10 1 . . . . . 1.8 1.8 4.2 1 2
11 1 . . . . . 1.8 1.8 4.2 1 2
12 1 . . . . . 1.8 1.8 3.7 1 2
13 1 . . . . . 1.8 1.8 4.5 1 2
14 1 . . . . . 1.8 1.8 4.5 1 2
15 1 . . . . . 1.8 1.8 3.7 1 2
16 1 . . . . . 1.8 1.8 6.0 1 2
17 1 . . . . . 1.8 1.8 6.0 1 2
18 1 . . . . . 1.8 1.8 3.6 1 2
19 1 . . . . . 1.8 1.8 4.5 1 2
20 1 . . . . . 1.8 1.8 4.5 1 2
21 1 . . . . . 1.8 1.8 4.5 1 2
22 1 . . . . . 1.8 1.8 3.6 1 2
23 1 . . . . . 1.8 1.8 4.5 1 2
24 1 . . . . . 1.8 1.8 4.5 1 2
25 1 . . . . . 1.8 1.8 3.7 1 2
26 1 . . . . . 1.8 1.8 3.6 1 2
27 1 . . . . . 1.8 1.8 4.5 1 2
28 1 . . . . . 1.8 1.8 3.7 1 2
29 1 . . . . . 1.8 1.8 4.2 1 2
30 1 . . . . . 1.8 1.8 5.6 1 2
31 1 . . . . . 1.8 1.8 4.6 1 2
32 1 . . . . . 1.8 1.8 4.5 1 2
33 1 . . . . . 1.8 1.8 2.7 1 2
34 1 . . . . . 1.8 1.8 4.5 1 2
35 1 . . . . . 1.8 1.8 4.5 1 2
36 1 . . . . . 1.8 1.8 4.5 1 2
37 1 . . . . . 1.8 1.8 2.7 1 2
38 1 . . . . . 1.8 1.8 2.7 1 2
39 1 . . . . . 1.8 1.8 2.7 1 2
40 1 . . . . . 1.8 1.8 4.5 1 2
41 1 . . . . . 1.8 1.8 2.7 1 2
42 1 . . . . . 1.8 1.8 4.2 1 2
43 1 . . . . . 1.8 1.8 4.2 1 2
44 1 . . . . . 1.8 1.8 5.6 1 2
45 1 . . . . . 1.8 1.8 4.5 1 2
46 1 . . . . . 1.8 1.8 3.2 1 2
47 1 . . . . . 1.8 1.8 3.6 1 2
48 1 . . . . . 1.8 1.8 4.5 1 2
49 1 . . . . . 1.8 1.8 3.6 1 2
50 1 . . . . . 1.8 1.8 3.2 1 2
51 1 . . . . . 1.8 1.8 2.7 1 2
52 1 . . . . . 1.8 1.8 3.6 1 2
53 1 . . . . . 1.8 1.8 3.2 1 2
54 1 . . . . . 1.8 1.8 4.2 1 2
55 1 . . . . . 1.8 1.8 5.5 1 2
56 1 . . . . . 1.8 1.8 3.2 1 2
57 1 . . . . . 1.8 1.8 2.7 1 2
58 1 . . . . . 1.8 1.8 2.7 1 2
59 1 . . . . . 1.8 1.8 4.5 1 2
60 1 . . . . . 1.8 1.8 4.5 1 2
61 1 . . . . . 1.8 1.8 3.2 1 2
62 1 . . . . . 1.8 1.8 4.5 1 2
63 1 . . . . . 1.8 1.8 4.5 1 2
64 1 . . . . . 1.8 1.8 4.2 1 2
65 1 . . . . . 1.8 1.8 4.6 1 2
66 1 . . . . . 1.8 1.8 3.2 1 2
67 1 . . . . . 1.8 1.8 4.5 1 2
68 1 . . . . . 1.8 1.8 5.5 1 2
69 1 . . . . . 1.8 1.8 5.5 1 2
70 1 . . . . . 1.8 1.8 5.5 1 2
71 1 . . . . . 1.8 1.8 3.6 1 2
72 1 . . . . . 1.8 1.8 3.2 1 2
73 1 . . . . . 1.8 1.8 4.5 1 2
74 1 . . . . . 1.8 1.8 5.5 1 2
75 1 . . . . . 1.8 1.8 4.5 1 2
76 1 . . . . . 1.8 1.8 2.7 1 2
77 1 . . . . . 1.8 1.8 3.2 1 2
78 1 . . . . . 1.8 1.8 2.7 1 2
79 1 . . . . . 1.8 1.8 3.2 1 2
80 1 . . . . . 1.8 1.8 2.7 1 2
81 1 . . . . . 1.8 1.8 4.5 1 2
82 1 . . . . . 1.8 1.8 4.5 1 2
83 1 . . . . . 1.8 1.8 3.7 1 2
84 1 . . . . . 1.8 1.8 3.7 1 2
85 1 . . . . . 1.8 1.8 5.2 1 2
86 1 . . . . . 1.8 1.8 6.5 1 2
87 1 . . . . . 1.8 1.8 2.7 1 2
88 1 . . . . . 1.8 1.8 3.2 1 2
89 1 . . . . . 1.8 1.8 4.5 1 2
90 1 . . . . . 1.8 1.8 5.5 1 2
91 1 . . . . . 1.8 1.8 3.2 1 2
92 1 . . . . . 1.8 1.8 4.5 1 2
93 1 . . . . . 1.8 1.8 3.2 1 2
94 1 . . . . . 1.8 1.8 3.2 1 2
95 1 . . . . . 1.8 1.8 3.7 1 2
96 1 . . . . . 1.8 1.8 3.7 1 2
97 1 . . . . . 1.8 1.8 3.7 1 2
98 1 . . . . . 1.8 1.8 3.2 1 2
99 1 . . . . . 1.8 1.8 2.7 1 2
100 1 . . . . . 1.8 1.8 4.5 1 2
101 1 . . . . . 1.8 1.8 3.7 1 2
102 1 . . . . . 1.8 1.8 3.7 1 2
103 1 . . . . . 1.8 1.8 4.2 1 2
104 1 . . . . . 1.8 1.8 4.5 1 2
105 1 . . . . . 1.8 1.8 4.5 1 2
106 1 . . . . . 1.8 1.8 3.2 1 2
107 1 . . . . . 1.8 1.8 4.5 1 2
108 1 . . . . . 1.8 1.8 2.7 1 2
109 1 . . . . . 1.8 1.8 3.6 1 2
110 1 . . . . . 1.8 1.8 3.6 1 2
111 1 . . . . . 1.8 1.8 3.2 1 2
112 1 . . . . . 1.8 1.8 4.2 1 2
113 1 . . . . . 1.8 1.8 5.5 1 2
114 1 . . . . . 1.8 1.8 5.5 1 2
115 1 . . . . . 1.8 1.8 3.7 1 2
116 1 . . . . . 1.8 1.8 3.7 1 2
117 1 . . . . . 1.8 1.8 3.2 1 2
118 1 . . . . . 1.8 1.8 2.7 1 2
119 1 . . . . . 1.8 1.8 4.2 1 2
120 1 . . . . . 1.8 1.8 3.7 1 2
121 1 . . . . . 1.8 1.8 2.7 1 2
122 1 . . . . . 1.8 1.8 3.6 1 2
123 1 . . . . . 1.8 1.8 4.6 1 2
124 1 . . . . . 1.8 1.8 5.6 1 2
125 1 . . . . . 1.8 1.8 3.7 1 2
126 1 . . . . . 1.8 1.8 2.7 1 2
127 1 . . . . . 1.8 1.8 3.6 1 2
128 1 . . . . . 1.8 1.8 3.2 1 2
129 1 . . . . . 1.8 1.8 3.2 1 2
130 1 . . . . . 1.8 1.8 4.5 1 2
131 1 . . . . . 1.8 1.8 3.6 1 2
132 1 . . . . . 1.8 1.8 3.2 1 2
133 1 . . . . . 1.8 1.8 5.5 1 2
134 1 . . . . . 1.8 1.8 3.2 1 2
135 1 . . . . . 1.8 1.8 2.7 1 2
136 1 . . . . . 1.8 1.8 4.6 1 2
137 1 . . . . . 1.8 1.8 3.6 1 2
138 1 . . . . . 1.8 1.8 2.7 1 2
139 1 . . . . . 1.8 1.8 4.5 1 2
140 1 . . . . . 1.8 1.8 4.5 1 2
141 1 . . . . . 1.8 1.8 5.5 1 2
142 1 . . . . . 1.8 1.8 4.2 1 2
143 1 . . . . . 1.8 1.8 5.5 1 2
144 1 . . . . . 1.8 1.8 5.5 1 2
145 1 . . . . . 1.8 1.8 6.5 1 2
146 1 . . . . . 1.8 1.8 5.5 1 2
147 1 . . . . . 1.8 1.8 5.5 1 2
148 1 . . . . . 1.8 1.8 2.7 1 2
149 1 . . . . . 1.8 1.8 3.2 1 2
150 1 . . . . . 1.8 1.8 4.5 1 2
151 1 . . . . . 1.8 1.8 4.5 1 2
152 1 . . . . . 1.8 1.8 6.0 1 2
153 1 . . . . . 1.8 1.8 5.1 1 2
154 1 . . . . . 1.8 1.8 3.6 1 2
155 1 . . . . . 1.8 1.8 5.1 1 2
156 1 . . . . . 1.8 1.8 4.2 1 2
157 1 . . . . . 1.8 1.8 5.6 1 2
158 1 . . . . . 1.8 1.8 3.2 1 2
159 1 . . . . . 1.8 1.8 2.7 1 2
160 1 . . . . . 1.8 1.8 4.5 1 2
161 1 . . . . . 1.8 1.8 4.5 1 2
162 1 . . . . . 1.8 1.8 2.7 1 2
163 1 . . . . . 1.8 1.8 2.7 1 2
164 1 . . . . . 1.8 1.8 4.5 1 2
165 1 . . . . . 1.8 1.8 2.7 1 2
166 1 . . . . . 1.8 1.8 4.6 1 2
167 1 . . . . . 1.8 1.8 3.7 1 2
168 1 . . . . . 1.8 1.8 5.5 1 2
169 1 . . . . . 1.8 1.8 5.5 1 2
170 1 . . . . . 1.8 1.8 3.2 1 2
171 1 . . . . . 1.8 1.8 4.5 1 2
172 1 . . . . . 1.8 1.8 4.5 1 2
173 1 . . . . . 1.8 1.8 4.6 1 2
174 1 . . . . . 1.8 1.8 5.5 1 2
175 1 . . . . . 1.8 1.8 3.7 1 2
176 1 . . . . . 1.8 1.8 3.6 1 2
177 1 . . . . . 1.8 1.8 3.2 1 2
178 1 . . . . . 1.8 1.8 4.2 1 2
179 1 . . . . . 1.8 1.8 3.7 1 2
180 1 . . . . . 1.8 1.8 2.7 1 2
181 1 . . . . . 1.8 1.8 4.5 1 2
182 1 . . . . . 1.8 1.8 3.2 1 2
183 1 . . . . . 1.8 1.8 3.7 1 2
184 1 . . . . . 1.8 1.8 2.7 1 2
185 1 . . . . . 1.8 1.8 3.2 1 2
186 1 . . . . . 1.8 1.8 3.6 1 2
187 1 . . . . . 1.8 1.8 4.6 1 2
188 1 . . . . . 1.8 1.8 2.7 1 2
189 1 . . . . . 1.8 1.8 2.7 1 2
190 1 . . . . . 1.8 1.8 3.6 1 2
191 1 . . . . . 1.8 1.8 4.5 1 2
192 1 . . . . . 1.8 1.8 2.7 1 2
193 1 . . . . . 1.8 1.8 4.6 1 2
194 1 . . . . . 1.8 1.8 5.5 1 2
195 1 . . . . . 1.8 1.8 4.2 1 2
196 1 . . . . . 1.8 1.8 2.7 1 2
197 1 . . . . . 1.8 1.8 3.2 1 2
198 1 . . . . . 1.8 1.8 4.5 1 2
199 1 . . . . . 1.8 1.8 3.6 1 2
200 1 . . . . . 1.8 1.8 2.7 1 2
201 1 . . . . . 1.8 1.8 2.7 1 2
202 1 . . . . . 1.8 1.8 4.2 1 2
203 1 . . . . . 1.8 1.8 3.6 1 2
204 1 . . . . . 1.8 1.8 4.6 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 GLN C C -1.254 10.668 -5.034 1.00 . A A . 1 GLN C 1 1
1 2 1 1 1 GLN CA C -2.142 10.394 -6.249 1.00 . A A . 1 GLN CA 1 1
1 3 1 1 1 GLN CB C -1.356 10.601 -7.542 1.00 . A A . 1 GLN CB 1 1
1 4 1 1 1 GLN CD C -1.257 12.655 -8.959 1.00 . A A . 1 GLN CD 1 1
1 5 1 1 1 GLN CG C -0.862 12.047 -7.612 1.00 . A A . 1 GLN CG 1 1
1 6 1 1 1 GLN H1 H -2.971 12.253 -5.804 1.00 . A A . 1 GLN H1 1 1
1 7 1 1 1 GLN H2 H -3.461 11.616 -7.300 1.00 . A A . 1 GLN H2 1 1
1 8 1 1 1 GLN H3 H -4.102 10.985 -5.862 1.00 . A A . 1 GLN H3 1 1
1 9 1 1 1 GLN HA H -2.535 9.390 -6.212 1.00 . A A . 1 GLN HA 1 1
1 10 1 1 1 GLN HB2 H -0.510 9.928 -7.561 1.00 . A A . 1 GLN HB2 1 1
1 11 1 1 1 GLN HB3 H -1.995 10.400 -8.388 1.00 . A A . 1 GLN HB3 1 1
1 12 1 1 1 GLN HE21 H -1.916 14.350 -8.159 1.00 . A A . 1 GLN HE21 1 1
1 13 1 1 1 GLN HE22 H -2.035 14.250 -9.850 1.00 . A A . 1 GLN HE22 1 1
1 14 1 1 1 GLN HG2 H -1.310 12.619 -6.812 1.00 . A A . 1 GLN HG2 1 1
1 15 1 1 1 GLN HG3 H 0.212 12.066 -7.512 1.00 . A A . 1 GLN HG3 1 1
1 16 1 1 1 GLN N N -3.253 11.387 -6.308 1.00 . A A . 1 GLN N 1 1
1 17 1 1 1 GLN NE2 N -1.780 13.851 -8.992 1.00 . A A . 1 GLN NE2 1 1
1 18 1 1 1 GLN O O -0.116 11.071 -5.163 1.00 . A A . 1 GLN O 1 1
1 19 1 1 1 GLN OE1 O -1.089 12.036 -9.991 1.00 . A A . 1 GLN OE1 1 1
1 20 1 1 2 ASN C C -0.178 9.446 -2.236 1.00 . A A . 2 ASN C 1 1
1 21 1 1 2 ASN CA C -0.948 10.706 -2.633 1.00 . A A . 2 ASN CA 1 1
1 22 1 1 2 ASN CB C -1.953 11.072 -1.545 1.00 . A A . 2 ASN CB 1 1
1 23 1 1 2 ASN CG C -2.768 12.290 -1.985 1.00 . A A . 2 ASN CG 1 1
1 24 1 1 2 ASN H H -2.688 10.131 -3.769 1.00 . A A . 2 ASN H 1 1
1 25 1 1 2 ASN HA H -0.270 11.528 -2.797 1.00 . A A . 2 ASN HA 1 1
1 26 1 1 2 ASN HB2 H -2.614 10.235 -1.376 1.00 . A A . 2 ASN HB2 1 1
1 27 1 1 2 ASN HB3 H -1.423 11.304 -0.635 1.00 . A A . 2 ASN HB3 1 1
1 28 1 1 2 ASN HD21 H -1.231 13.542 -1.864 1.00 . A A . 2 ASN HD21 1 1
1 29 1 1 2 ASN HD22 H -2.698 14.240 -2.355 1.00 . A A . 2 ASN HD22 1 1
1 30 1 1 2 ASN N N -1.766 10.454 -3.853 1.00 . A A . 2 ASN N 1 1
1 31 1 1 2 ASN ND2 N -2.183 13.454 -2.075 1.00 . A A . 2 ASN ND2 1 1
1 32 1 1 2 ASN O O -0.595 8.696 -1.376 1.00 . A A . 2 ASN O 1 1
1 33 1 1 2 ASN OD1 O -3.949 12.182 -2.247 1.00 . A A . 2 ASN OD1 1 1
1 34 1 1 3 GLU C C 3.171 8.419 -2.152 1.00 . A A . 3 GLU C 1 1
1 35 1 1 3 GLU CA C 1.753 8.006 -2.506 1.00 . A A . 3 GLU CA 1 1
1 36 1 1 3 GLU CB C 1.748 7.138 -3.764 1.00 . A A . 3 GLU CB 1 1
1 37 1 1 3 GLU CD C 2.398 7.071 -6.178 1.00 . A A . 3 GLU CD 1 1
1 38 1 1 3 GLU CG C 2.531 7.851 -4.869 1.00 . A A . 3 GLU CG 1 1
1 39 1 1 3 GLU H H 1.263 9.838 -3.534 1.00 . A A . 3 GLU H 1 1
1 40 1 1 3 GLU HA H 1.308 7.484 -1.668 1.00 . A A . 3 GLU HA 1 1
1 41 1 1 3 GLU HB2 H 2.214 6.189 -3.548 1.00 . A A . 3 GLU HB2 1 1
1 42 1 1 3 GLU HB3 H 0.733 6.979 -4.092 1.00 . A A . 3 GLU HB3 1 1
1 43 1 1 3 GLU HG2 H 2.138 8.849 -5.001 1.00 . A A . 3 GLU HG2 1 1
1 44 1 1 3 GLU HG3 H 3.573 7.908 -4.591 1.00 . A A . 3 GLU HG3 1 1
1 45 1 1 3 GLU N N 0.946 9.214 -2.851 1.00 . A A . 3 GLU N 1 1
1 46 1 1 3 GLU O O 4.125 7.696 -2.359 1.00 . A A . 3 GLU O 1 1
1 47 1 1 3 GLU OE1 O 1.594 6.154 -6.221 1.00 . A A . 3 GLU OE1 1 1
1 48 1 1 3 GLU OE2 O 3.102 7.404 -7.116 1.00 . A A . 3 GLU OE2 1 1
1 49 1 1 4 GLY C C 4.722 9.709 0.334 1.00 . A A . 4 GLY C 1 1
1 50 1 1 4 GLY CA C 4.626 10.051 -1.140 1.00 . A A . 4 GLY CA 1 1
1 51 1 1 4 GLY H H 2.486 10.086 -1.396 1.00 . A A . 4 GLY H 1 1
1 52 1 1 4 GLY HA2 H 5.407 9.552 -1.697 1.00 . A A . 4 GLY HA2 1 1
1 53 1 1 4 GLY HA3 H 4.694 11.120 -1.270 1.00 . A A . 4 GLY HA3 1 1
1 54 1 1 4 GLY N N 3.291 9.562 -1.578 1.00 . A A . 4 GLY N 1 1
1 55 1 1 4 GLY O O 4.872 10.564 1.184 1.00 . A A . 4 GLY O 1 1
1 56 1 1 5 HIS C C 5.254 6.698 2.275 1.00 . A A . 5 HIS C 1 1
1 57 1 1 5 HIS CA C 4.555 8.039 2.066 1.00 . A A . 5 HIS CA 1 1
1 58 1 1 5 HIS CB C 3.056 7.887 2.366 1.00 . A A . 5 HIS CB 1 1
1 59 1 1 5 HIS CD2 C 1.148 6.311 1.400 1.00 . A A . 5 HIS CD2 1 1
1 60 1 1 5 HIS CE1 C 2.347 5.056 0.136 1.00 . A A . 5 HIS CE1 1 1
1 61 1 1 5 HIS CG C 2.442 6.778 1.512 1.00 . A A . 5 HIS CG 1 1
1 62 1 1 5 HIS H H 4.388 7.794 -0.067 1.00 . A A . 5 HIS H 1 1
1 63 1 1 5 HIS HA H 4.979 8.802 2.695 1.00 . A A . 5 HIS HA 1 1
1 64 1 1 5 HIS HB2 H 2.925 7.645 3.411 1.00 . A A . 5 HIS HB2 1 1
1 65 1 1 5 HIS HB3 H 2.555 8.819 2.151 1.00 . A A . 5 HIS HB3 1 1
1 66 1 1 5 HIS HD1 H 4.126 6.046 0.454 1.00 . A A . 5 HIS HD1 1 1
1 67 1 1 5 HIS HD2 H 0.293 6.746 1.855 1.00 . A A . 5 HIS HD2 1 1
1 68 1 1 5 HIS HE1 H 2.639 4.288 -0.554 1.00 . A A . 5 HIS HE1 1 1
1 69 1 1 5 HIS N N 4.559 8.455 0.642 1.00 . A A . 5 HIS N 1 1
1 70 1 1 5 HIS ND1 N 3.187 5.954 0.673 1.00 . A A . 5 HIS ND1 1 1
1 71 1 1 5 HIS NE2 N 1.101 5.230 0.544 1.00 . A A . 5 HIS NE2 1 1
1 72 1 1 5 HIS O O 5.814 6.116 1.367 1.00 . A A . 5 HIS O 1 1
1 73 1 1 6 GLU C C 4.635 3.838 3.463 1.00 . A A . 6 GLU C 1 1
1 74 1 1 6 GLU CA C 5.755 4.839 3.709 1.00 . A A . 6 GLU CA 1 1
1 75 1 1 6 GLU CB C 6.193 4.821 5.166 1.00 . A A . 6 GLU CB 1 1
1 76 1 1 6 GLU CD C 7.082 7.075 5.786 1.00 . A A . 6 GLU CD 1 1
1 77 1 1 6 GLU CG C 7.459 5.665 5.326 1.00 . A A . 6 GLU CG 1 1
1 78 1 1 6 GLU H H 4.685 6.640 4.172 1.00 . A A . 6 GLU H 1 1
1 79 1 1 6 GLU HA H 6.591 4.654 3.052 1.00 . A A . 6 GLU HA 1 1
1 80 1 1 6 GLU HB2 H 5.404 5.224 5.781 1.00 . A A . 6 GLU HB2 1 1
1 81 1 1 6 GLU HB3 H 6.401 3.803 5.462 1.00 . A A . 6 GLU HB3 1 1
1 82 1 1 6 GLU HG2 H 8.106 5.206 6.059 1.00 . A A . 6 GLU HG2 1 1
1 83 1 1 6 GLU HG3 H 7.973 5.723 4.378 1.00 . A A . 6 GLU HG3 1 1
1 84 1 1 6 GLU N N 5.175 6.177 3.461 1.00 . A A . 6 GLU N 1 1
1 85 1 1 6 GLU O O 3.534 4.013 3.945 1.00 . A A . 6 GLU O 1 1
1 86 1 1 6 GLU OE1 O 6.853 7.249 6.972 1.00 . A A . 6 GLU OE1 1 1
1 87 1 1 6 GLU OE2 O 7.028 7.957 4.945 1.00 . A A . 6 GLU OE2 1 1
1 88 1 1 7 CYS C C 3.066 1.512 3.765 1.00 . A A . 7 CYS C 1 1
1 89 1 1 7 CYS CA C 3.769 1.850 2.451 1.00 . A A . 7 CYS CA 1 1
1 90 1 1 7 CYS CB C 4.428 0.623 1.838 1.00 . A A . 7 CYS CB 1 1
1 91 1 1 7 CYS H H 5.759 2.687 2.318 1.00 . A A . 7 CYS H 1 1
1 92 1 1 7 CYS HA H 3.065 2.275 1.752 1.00 . A A . 7 CYS HA 1 1
1 93 1 1 7 CYS HB2 H 5.070 0.935 1.032 1.00 . A A . 7 CYS HB2 1 1
1 94 1 1 7 CYS HB3 H 5.010 0.103 2.581 1.00 . A A . 7 CYS HB3 1 1
1 95 1 1 7 CYS N N 4.873 2.814 2.713 1.00 . A A . 7 CYS N 1 1
1 96 1 1 7 CYS O O 3.642 0.920 4.656 1.00 . A A . 7 CYS O 1 1
1 97 1 1 7 CYS SG S 3.136 -0.473 1.205 1.00 . A A . 7 CYS SG 1 1
1 98 1 1 8 GLN C C 0.088 0.501 4.989 1.00 . A A . 8 GLN C 1 1
1 99 1 1 8 GLN CA C 1.100 1.629 5.174 1.00 . A A . 8 GLN CA 1 1
1 100 1 1 8 GLN CB C 0.384 2.937 5.518 1.00 . A A . 8 GLN CB 1 1
1 101 1 1 8 GLN CD C 1.748 3.030 7.614 1.00 . A A . 8 GLN CD 1 1
1 102 1 1 8 GLN CG C 1.299 3.812 6.378 1.00 . A A . 8 GLN CG 1 1
1 103 1 1 8 GLN H H 1.378 2.397 3.174 1.00 . A A . 8 GLN H 1 1
1 104 1 1 8 GLN HA H 1.799 1.380 5.956 1.00 . A A . 8 GLN HA 1 1
1 105 1 1 8 GLN HB2 H 0.135 3.462 4.607 1.00 . A A . 8 GLN HB2 1 1
1 106 1 1 8 GLN HB3 H -0.520 2.719 6.066 1.00 . A A . 8 GLN HB3 1 1
1 107 1 1 8 GLN HE21 H 3.601 3.743 7.563 1.00 . A A . 8 GLN HE21 1 1
1 108 1 1 8 GLN HE22 H 3.276 2.657 8.827 1.00 . A A . 8 GLN HE22 1 1
1 109 1 1 8 GLN HG2 H 2.165 4.102 5.802 1.00 . A A . 8 GLN HG2 1 1
1 110 1 1 8 GLN HG3 H 0.763 4.695 6.691 1.00 . A A . 8 GLN HG3 1 1
1 111 1 1 8 GLN N N 1.826 1.907 3.902 1.00 . A A . 8 GLN N 1 1
1 112 1 1 8 GLN NE2 N 2.977 3.154 8.037 1.00 . A A . 8 GLN NE2 1 1
1 113 1 1 8 GLN O O -0.926 0.454 5.657 1.00 . A A . 8 GLN O 1 1
1 114 1 1 8 GLN OE1 O 0.974 2.302 8.202 1.00 . A A . 8 GLN OE1 1 1
1 115 1 1 9 CYS C C -0.435 -2.563 5.012 1.00 . A A . 9 CYS C 1 1
1 116 1 1 9 CYS CA C -0.606 -1.529 3.895 1.00 . A A . 9 CYS CA 1 1
1 117 1 1 9 CYS CB C -0.201 -2.111 2.548 1.00 . A A . 9 CYS CB 1 1
1 118 1 1 9 CYS H H 1.174 -0.372 3.561 1.00 . A A . 9 CYS H 1 1
1 119 1 1 9 CYS HA H -1.620 -1.166 3.856 1.00 . A A . 9 CYS HA 1 1
1 120 1 1 9 CYS HB2 H 0.874 -2.074 2.464 1.00 . A A . 9 CYS HB2 1 1
1 121 1 1 9 CYS HB3 H -0.540 -3.133 2.473 1.00 . A A . 9 CYS HB3 1 1
1 122 1 1 9 CYS N N 0.348 -0.413 4.097 1.00 . A A . 9 CYS N 1 1
1 123 1 1 9 CYS O O 0.650 -3.056 5.250 1.00 . A A . 9 CYS O 1 1
1 124 1 1 9 CYS SG S -0.929 -1.126 1.220 1.00 . A A . 9 CYS SG 1 1
1 125 1 1 10 GLN C C -1.586 -5.305 6.213 1.00 . A A . 10 GLN C 1 1
1 126 1 1 10 GLN CA C -1.375 -3.908 6.791 1.00 . A A . 10 GLN CA 1 1
1 127 1 1 10 GLN CB C -2.489 -3.560 7.782 1.00 . A A . 10 GLN CB 1 1
1 128 1 1 10 GLN CD C -2.766 -2.866 10.170 1.00 . A A . 10 GLN CD 1 1
1 129 1 1 10 GLN CG C -1.919 -2.692 8.907 1.00 . A A . 10 GLN CG 1 1
1 130 1 1 10 GLN H H -2.362 -2.497 5.490 1.00 . A A . 10 GLN H 1 1
1 131 1 1 10 GLN HA H -0.412 -3.837 7.271 1.00 . A A . 10 GLN HA 1 1
1 132 1 1 10 GLN HB2 H -3.270 -3.018 7.269 1.00 . A A . 10 GLN HB2 1 1
1 133 1 1 10 GLN HB3 H -2.895 -4.468 8.201 1.00 . A A . 10 GLN HB3 1 1
1 134 1 1 10 GLN HE21 H -1.531 -1.812 11.312 1.00 . A A . 10 GLN HE21 1 1
1 135 1 1 10 GLN HE22 H -2.900 -2.429 12.102 1.00 . A A . 10 GLN HE22 1 1
1 136 1 1 10 GLN HG2 H -0.901 -2.991 9.111 1.00 . A A . 10 GLN HG2 1 1
1 137 1 1 10 GLN HG3 H -1.936 -1.656 8.605 1.00 . A A . 10 GLN HG3 1 1
1 138 1 1 10 GLN N N -1.493 -2.902 5.696 1.00 . A A . 10 GLN N 1 1
1 139 1 1 10 GLN NE2 N -2.366 -2.324 11.287 1.00 . A A . 10 GLN NE2 1 1
1 140 1 1 10 GLN O O -1.855 -6.256 6.920 1.00 . A A . 10 GLN O 1 1
1 141 1 1 10 GLN OE1 O -3.802 -3.501 10.139 1.00 . A A . 10 GLN OE1 1 1
1 142 1 1 11 CYS C C -0.393 -7.566 4.368 1.00 . A A . 11 CYS C 1 1
1 143 1 1 11 CYS CA C -1.656 -6.718 4.251 1.00 . A A . 11 CYS CA 1 1
1 144 1 1 11 CYS CB C -1.882 -6.334 2.790 1.00 . A A . 11 CYS CB 1 1
1 145 1 1 11 CYS H H -1.259 -4.648 4.373 1.00 . A A . 11 CYS H 1 1
1 146 1 1 11 CYS HA H -2.512 -7.242 4.635 1.00 . A A . 11 CYS HA 1 1
1 147 1 1 11 CYS HB2 H -0.938 -6.076 2.337 1.00 . A A . 11 CYS HB2 1 1
1 148 1 1 11 CYS HB3 H -2.299 -7.164 2.282 1.00 . A A . 11 CYS HB3 1 1
1 149 1 1 11 CYS N N -1.469 -5.423 4.920 1.00 . A A . 11 CYS N 1 1
1 150 1 1 11 CYS O O 0.472 -7.319 5.184 1.00 . A A . 11 CYS O 1 1
1 151 1 1 11 CYS SG S -3.013 -4.921 2.657 1.00 . A A . 11 CYS SG 1 1
1 152 1 1 12 GLY C C 1.701 -9.172 2.252 1.00 . A A . 12 GLY C 1 1
1 153 1 1 12 GLY CA C 0.917 -9.423 3.539 1.00 . A A . 12 GLY CA 1 1
1 154 1 1 12 GLY H H -0.995 -8.705 2.880 1.00 . A A . 12 GLY H 1 1
1 155 1 1 12 GLY HA2 H 1.533 -9.186 4.395 1.00 . A A . 12 GLY HA2 1 1
1 156 1 1 12 GLY HA3 H 0.616 -10.458 3.580 1.00 . A A . 12 GLY HA3 1 1
1 157 1 1 12 GLY N N -0.285 -8.550 3.532 1.00 . A A . 12 GLY N 1 1
1 158 1 1 12 GLY O O 2.861 -9.512 2.139 1.00 . A A . 12 GLY O 1 1
1 159 1 1 13 SER C C 2.633 -7.029 0.151 1.00 . A A . 13 SER C 1 1
1 160 1 1 13 SER CA C 1.761 -8.276 -0.004 1.00 . A A . 13 SER CA 1 1
1 161 1 1 13 SER CB C 0.641 -8.030 -1.013 1.00 . A A . 13 SER CB 1 1
1 162 1 1 13 SER H H 0.133 -8.298 1.401 1.00 . A A . 13 SER H 1 1
1 163 1 1 13 SER HA H 2.358 -9.121 -0.311 1.00 . A A . 13 SER HA 1 1
1 164 1 1 13 SER HB2 H 0.310 -8.970 -1.423 1.00 . A A . 13 SER HB2 1 1
1 165 1 1 13 SER HB3 H -0.189 -7.545 -0.516 1.00 . A A . 13 SER HB3 1 1
1 166 1 1 13 SER HG H 0.410 -6.640 -2.354 1.00 . A A . 13 SER HG 1 1
1 167 1 1 13 SER N N 1.067 -8.567 1.281 1.00 . A A . 13 SER N 1 1
1 168 1 1 13 SER O O 3.727 -6.959 -0.371 1.00 . A A . 13 SER O 1 1
1 169 1 1 13 SER OG O 1.128 -7.207 -2.064 1.00 . A A . 13 SER OG 1 1
1 170 1 1 14 CYS C C 3.835 -4.979 2.287 1.00 . A A . 14 CYS C 1 1
1 171 1 1 14 CYS CA C 2.950 -4.820 1.057 1.00 . A A . 14 CYS CA 1 1
1 172 1 1 14 CYS CB C 1.886 -3.753 1.269 1.00 . A A . 14 CYS CB 1 1
1 173 1 1 14 CYS H H 1.283 -6.098 1.279 1.00 . A A . 14 CYS H 1 1
1 174 1 1 14 CYS HA H 3.538 -4.597 0.181 1.00 . A A . 14 CYS HA 1 1
1 175 1 1 14 CYS HB2 H 1.364 -3.902 2.207 1.00 . A A . 14 CYS HB2 1 1
1 176 1 1 14 CYS HB3 H 2.355 -2.818 1.291 1.00 . A A . 14 CYS HB3 1 1
1 177 1 1 14 CYS N N 2.162 -6.043 0.867 1.00 . A A . 14 CYS N 1 1
1 178 1 1 14 CYS O O 5.044 -4.903 2.210 1.00 . A A . 14 CYS O 1 1
1 179 1 1 14 CYS SG S 0.723 -3.815 -0.120 1.00 . A A . 14 CYS SG 1 1
1 180 1 1 15 LYS C C 5.290 -6.240 4.360 1.00 . A A . 15 LYS C 1 1
1 181 1 1 15 LYS CA C 4.025 -5.414 4.661 1.00 . A A . 15 LYS CA 1 1
1 182 1 1 15 LYS CB C 3.067 -6.157 5.613 1.00 . A A . 15 LYS CB 1 1
1 183 1 1 15 LYS CD C 2.479 -8.353 6.656 1.00 . A A . 15 LYS CD 1 1
1 184 1 1 15 LYS CE C 3.417 -8.931 7.720 1.00 . A A . 15 LYS CE 1 1
1 185 1 1 15 LYS CG C 3.305 -7.672 5.562 1.00 . A A . 15 LYS CG 1 1
1 186 1 1 15 LYS H H 2.257 -5.284 3.435 1.00 . A A . 15 LYS H 1 1
1 187 1 1 15 LYS HA H 4.295 -4.459 5.084 1.00 . A A . 15 LYS HA 1 1
1 188 1 1 15 LYS HB2 H 3.221 -5.807 6.622 1.00 . A A . 15 LYS HB2 1 1
1 189 1 1 15 LYS HB3 H 2.047 -5.950 5.319 1.00 . A A . 15 LYS HB3 1 1
1 190 1 1 15 LYS HD2 H 1.819 -7.628 7.112 1.00 . A A . 15 LYS HD2 1 1
1 191 1 1 15 LYS HD3 H 1.895 -9.150 6.223 1.00 . A A . 15 LYS HD3 1 1
1 192 1 1 15 LYS HE2 H 3.794 -9.893 7.402 1.00 . A A . 15 LYS HE2 1 1
1 193 1 1 15 LYS HE3 H 4.232 -8.250 7.914 1.00 . A A . 15 LYS HE3 1 1
1 194 1 1 15 LYS HG2 H 3.006 -8.052 4.596 1.00 . A A . 15 LYS HG2 1 1
1 195 1 1 15 LYS HG3 H 4.352 -7.879 5.724 1.00 . A A . 15 LYS HG3 1 1
1 196 1 1 15 LYS HZ1 H 1.821 -8.358 8.927 1.00 . A A . 15 LYS HZ1 1 1
1 197 1 1 15 LYS HZ2 H 2.145 -10.026 8.950 1.00 . A A . 15 LYS HZ2 1 1
1 198 1 1 15 LYS HZ3 H 3.160 -8.949 9.785 1.00 . A A . 15 LYS HZ3 1 1
1 199 1 1 15 LYS N N 3.234 -5.220 3.413 1.00 . A A . 15 LYS N 1 1
1 200 1 1 15 LYS NZ N 2.572 -9.077 8.937 1.00 . A A . 15 LYS NZ 1 1
1 201 1 1 15 LYS O O 6.297 -6.116 5.029 1.00 . A A . 15 LYS O 1 1
1 202 1 1 16 ASN C C 7.028 -7.458 1.670 1.00 . A A . 16 ASN C 1 1
1 203 1 1 16 ASN CA C 6.431 -7.910 3.010 1.00 . A A . 16 ASN CA 1 1
1 204 1 1 16 ASN CB C 5.897 -9.339 2.902 1.00 . A A . 16 ASN CB 1 1
1 205 1 1 16 ASN CG C 6.797 -10.284 3.701 1.00 . A A . 16 ASN CG 1 1
1 206 1 1 16 ASN H H 4.417 -7.164 2.831 1.00 . A A . 16 ASN H 1 1
1 207 1 1 16 ASN HA H 7.171 -7.852 3.792 1.00 . A A . 16 ASN HA 1 1
1 208 1 1 16 ASN HB2 H 4.892 -9.378 3.297 1.00 . A A . 16 ASN HB2 1 1
1 209 1 1 16 ASN HB3 H 5.889 -9.643 1.866 1.00 . A A . 16 ASN HB3 1 1
1 210 1 1 16 ASN HD21 H 5.483 -10.515 5.172 1.00 . A A . 16 ASN HD21 1 1
1 211 1 1 16 ASN HD22 H 6.937 -11.371 5.357 1.00 . A A . 16 ASN HD22 1 1
1 212 1 1 16 ASN N N 5.239 -7.079 3.356 1.00 . A A . 16 ASN N 1 1
1 213 1 1 16 ASN ND2 N 6.371 -10.763 4.838 1.00 . A A . 16 ASN ND2 1 1
1 214 1 1 16 ASN O O 8.069 -6.832 1.626 1.00 . A A . 16 ASN O 1 1
1 215 1 1 16 ASN OD1 O 7.897 -10.590 3.286 1.00 . A A . 16 ASN OD1 1 1
1 216 1 1 17 ASN C C 7.267 -5.875 -0.746 1.00 . A A . 17 ASN C 1 1
1 217 1 1 17 ASN CA C 6.914 -7.360 -0.755 1.00 . A A . 17 ASN CA 1 1
1 218 1 1 17 ASN CB C 5.781 -7.638 -1.745 1.00 . A A . 17 ASN CB 1 1
1 219 1 1 17 ASN CG C 6.371 -8.097 -3.080 1.00 . A A . 17 ASN CG 1 1
1 220 1 1 17 ASN H H 5.542 -8.278 0.635 1.00 . A A . 17 ASN H 1 1
1 221 1 1 17 ASN HA H 7.781 -7.944 -1.016 1.00 . A A . 17 ASN HA 1 1
1 222 1 1 17 ASN HB2 H 5.138 -8.410 -1.349 1.00 . A A . 17 ASN HB2 1 1
1 223 1 1 17 ASN HB3 H 5.209 -6.735 -1.899 1.00 . A A . 17 ASN HB3 1 1
1 224 1 1 17 ASN HD21 H 4.612 -8.165 -3.999 1.00 . A A . 17 ASN HD21 1 1
1 225 1 1 17 ASN HD22 H 5.947 -8.599 -4.954 1.00 . A A . 17 ASN HD22 1 1
1 226 1 1 17 ASN N N 6.379 -7.771 0.578 1.00 . A A . 17 ASN N 1 1
1 227 1 1 17 ASN ND2 N 5.577 -8.304 -4.095 1.00 . A A . 17 ASN ND2 1 1
1 228 1 1 17 ASN O O 6.410 -5.020 -0.848 1.00 . A A . 17 ASN O 1 1
1 229 1 1 17 ASN OD1 O 7.568 -8.269 -3.201 1.00 . A A . 17 ASN OD1 1 1
1 230 1 1 18 GLU C C 9.070 -3.611 -2.036 1.00 . A A . 18 GLU C 1 1
1 231 1 1 18 GLU CA C 8.941 -4.136 -0.608 1.00 . A A . 18 GLU CA 1 1
1 232 1 1 18 GLU CB C 10.299 -4.122 0.092 1.00 . A A . 18 GLU CB 1 1
1 233 1 1 18 GLU CD C 12.414 -5.457 0.113 1.00 . A A . 18 GLU CD 1 1
1 234 1 1 18 GLU CG C 11.327 -4.852 -0.777 1.00 . A A . 18 GLU CG 1 1
1 235 1 1 18 GLU H H 9.202 -6.271 -0.543 1.00 . A A . 18 GLU H 1 1
1 236 1 1 18 GLU HA H 8.232 -3.547 -0.054 1.00 . A A . 18 GLU HA 1 1
1 237 1 1 18 GLU HB2 H 10.614 -3.099 0.246 1.00 . A A . 18 GLU HB2 1 1
1 238 1 1 18 GLU HB3 H 10.217 -4.621 1.045 1.00 . A A . 18 GLU HB3 1 1
1 239 1 1 18 GLU HG2 H 10.835 -5.638 -1.331 1.00 . A A . 18 GLU HG2 1 1
1 240 1 1 18 GLU HG3 H 11.776 -4.153 -1.466 1.00 . A A . 18 GLU HG3 1 1
1 241 1 1 18 GLU N N 8.527 -5.564 -0.624 1.00 . A A . 18 GLU N 1 1
1 242 1 1 18 GLU O O 9.558 -2.523 -2.266 1.00 . A A . 18 GLU O 1 1
1 243 1 1 18 GLU OE1 O 12.204 -6.550 0.610 1.00 . A A . 18 GLU OE1 1 1
1 244 1 1 18 GLU OE2 O 13.440 -4.817 0.281 1.00 . A A . 18 GLU OE2 1 1
1 245 1 1 19 GLN C C 7.683 -2.846 -4.693 1.00 . A A . 19 GLN C 1 1
1 246 1 1 19 GLN CA C 8.742 -3.907 -4.412 1.00 . A A . 19 GLN CA 1 1
1 247 1 1 19 GLN CB C 8.517 -5.151 -5.272 1.00 . A A . 19 GLN CB 1 1
1 248 1 1 19 GLN CD C 9.090 -5.938 -7.574 1.00 . A A . 19 GLN CD 1 1
1 249 1 1 19 GLN CG C 9.630 -5.254 -6.317 1.00 . A A . 19 GLN CG 1 1
1 250 1 1 19 GLN H H 8.247 -5.255 -2.791 1.00 . A A . 19 GLN H 1 1
1 251 1 1 19 GLN HA H 9.712 -3.504 -4.589 1.00 . A A . 19 GLN HA 1 1
1 252 1 1 19 GLN HB2 H 8.529 -6.030 -4.642 1.00 . A A . 19 GLN HB2 1 1
1 253 1 1 19 GLN HB3 H 7.562 -5.078 -5.770 1.00 . A A . 19 GLN HB3 1 1
1 254 1 1 19 GLN HE21 H 9.153 -7.758 -6.784 1.00 . A A . 19 GLN HE21 1 1
1 255 1 1 19 GLN HE22 H 8.585 -7.679 -8.382 1.00 . A A . 19 GLN HE22 1 1
1 256 1 1 19 GLN HG2 H 9.981 -4.264 -6.567 1.00 . A A . 19 GLN HG2 1 1
1 257 1 1 19 GLN HG3 H 10.447 -5.836 -5.917 1.00 . A A . 19 GLN HG3 1 1
1 258 1 1 19 GLN N N 8.638 -4.376 -2.998 1.00 . A A . 19 GLN N 1 1
1 259 1 1 19 GLN NE2 N 8.929 -7.232 -7.580 1.00 . A A . 19 GLN NE2 1 1
1 260 1 1 19 GLN O O 7.723 -2.145 -5.684 1.00 . A A . 19 GLN O 1 1
1 261 1 1 19 GLN OE1 O 8.812 -5.287 -8.562 1.00 . A A . 19 GLN OE1 1 1
1 262 1 1 20 CYS C C 5.477 -0.967 -2.671 1.00 . A A . 20 CYS C 1 1
1 263 1 1 20 CYS CA C 5.654 -1.752 -3.975 1.00 . A A . 20 CYS CA 1 1
1 264 1 1 20 CYS CB C 4.444 -2.631 -4.259 1.00 . A A . 20 CYS CB 1 1
1 265 1 1 20 CYS H H 6.740 -3.317 -3.052 1.00 . A A . 20 CYS H 1 1
1 266 1 1 20 CYS HA H 5.844 -1.093 -4.806 1.00 . A A . 20 CYS HA 1 1
1 267 1 1 20 CYS HB2 H 3.655 -2.031 -4.659 1.00 . A A . 20 CYS HB2 1 1
1 268 1 1 20 CYS HB3 H 4.727 -3.384 -4.976 1.00 . A A . 20 CYS HB3 1 1
1 269 1 1 20 CYS N N 6.740 -2.737 -3.818 1.00 . A A . 20 CYS N 1 1
1 270 1 1 20 CYS O O 4.551 -0.196 -2.515 1.00 . A A . 20 CYS O 1 1
1 271 1 1 20 CYS SG S 3.881 -3.444 -2.739 1.00 . A A . 20 CYS SG 1 1
1 272 1 1 21 GLN C C 6.855 0.933 -0.501 1.00 . A A . 21 GLN C 1 1
1 273 1 1 21 GLN CA C 6.244 -0.467 -0.425 1.00 . A A . 21 GLN CA 1 1
1 274 1 1 21 GLN CB C 7.044 -1.325 0.556 1.00 . A A . 21 GLN CB 1 1
1 275 1 1 21 GLN CD C 6.724 -2.971 2.408 1.00 . A A . 21 GLN CD 1 1
1 276 1 1 21 GLN CG C 6.173 -2.472 1.070 1.00 . A A . 21 GLN CG 1 1
1 277 1 1 21 GLN H H 7.087 -1.812 -1.875 1.00 . A A . 21 GLN H 1 1
1 278 1 1 21 GLN HA H 5.220 -0.418 -0.111 1.00 . A A . 21 GLN HA 1 1
1 279 1 1 21 GLN HB2 H 7.913 -1.726 0.055 1.00 . A A . 21 GLN HB2 1 1
1 280 1 1 21 GLN HB3 H 7.361 -0.715 1.389 1.00 . A A . 21 GLN HB3 1 1
1 281 1 1 21 GLN HE21 H 8.582 -3.168 1.735 1.00 . A A . 21 GLN HE21 1 1
1 282 1 1 21 GLN HE22 H 8.351 -3.586 3.363 1.00 . A A . 21 GLN HE22 1 1
1 283 1 1 21 GLN HG2 H 5.160 -2.121 1.207 1.00 . A A . 21 GLN HG2 1 1
1 284 1 1 21 GLN HG3 H 6.182 -3.280 0.355 1.00 . A A . 21 GLN HG3 1 1
1 285 1 1 21 GLN N N 6.357 -1.176 -1.729 1.00 . A A . 21 GLN N 1 1
1 286 1 1 21 GLN NE2 N 7.991 -3.266 2.510 1.00 . A A . 21 GLN NE2 1 1
1 287 1 1 21 GLN O O 7.385 1.429 0.473 1.00 . A A . 21 GLN O 1 1
1 288 1 1 21 GLN OE1 O 5.992 -3.095 3.370 1.00 . A A . 21 GLN OE1 1 1
1 289 1 1 22 LYS C C 6.762 3.872 -2.703 1.00 . A A . 22 LYS C 1 1
1 290 1 1 22 LYS CA C 7.432 2.939 -1.695 1.00 . A A . 22 LYS CA 1 1
1 291 1 1 22 LYS CB C 8.873 2.680 -2.104 1.00 . A A . 22 LYS CB 1 1
1 292 1 1 22 LYS CD C 10.173 1.366 -3.781 1.00 . A A . 22 LYS CD 1 1
1 293 1 1 22 LYS CE C 10.957 1.904 -4.978 1.00 . A A . 22 LYS CE 1 1
1 294 1 1 22 LYS CG C 8.922 2.219 -3.561 1.00 . A A . 22 LYS CG 1 1
1 295 1 1 22 LYS H H 6.398 1.177 -2.429 1.00 . A A . 22 LYS H 1 1
1 296 1 1 22 LYS HA H 7.414 3.389 -0.721 1.00 . A A . 22 LYS HA 1 1
1 297 1 1 22 LYS HB2 H 9.441 3.589 -1.995 1.00 . A A . 22 LYS HB2 1 1
1 298 1 1 22 LYS HB3 H 9.288 1.912 -1.473 1.00 . A A . 22 LYS HB3 1 1
1 299 1 1 22 LYS HD2 H 10.793 1.404 -2.897 1.00 . A A . 22 LYS HD2 1 1
1 300 1 1 22 LYS HD3 H 9.882 0.344 -3.974 1.00 . A A . 22 LYS HD3 1 1
1 301 1 1 22 LYS HE2 H 10.344 1.883 -5.869 1.00 . A A . 22 LYS HE2 1 1
1 302 1 1 22 LYS HE3 H 11.304 2.908 -4.782 1.00 . A A . 22 LYS HE3 1 1
1 303 1 1 22 LYS HG2 H 8.041 1.634 -3.783 1.00 . A A . 22 LYS HG2 1 1
1 304 1 1 22 LYS HG3 H 8.957 3.080 -4.211 1.00 . A A . 22 LYS HG3 1 1
1 305 1 1 22 LYS HZ1 H 12.496 0.752 -4.179 1.00 . A A . 22 LYS HZ1 1 1
1 306 1 1 22 LYS HZ2 H 11.812 0.108 -5.592 1.00 . A A . 22 LYS HZ2 1 1
1 307 1 1 22 LYS HZ3 H 12.858 1.442 -5.689 1.00 . A A . 22 LYS HZ3 1 1
1 308 1 1 22 LYS N N 6.811 1.581 -1.635 1.00 . A A . 22 LYS N 1 1
1 309 1 1 22 LYS NZ N 12.118 0.982 -5.121 1.00 . A A . 22 LYS NZ 1 1
1 310 1 1 22 LYS O O 7.250 4.954 -2.963 1.00 . A A . 22 LYS O 1 1
1 311 1 1 23 SER C C 3.537 4.110 -4.484 1.00 . A A . 23 SER C 1 1
1 312 1 1 23 SER CA C 5.015 4.425 -4.252 1.00 . A A . 23 SER CA 1 1
1 313 1 1 23 SER CB C 5.815 4.268 -5.543 1.00 . A A . 23 SER CB 1 1
1 314 1 1 23 SER H H 5.274 2.626 -3.057 1.00 . A A . 23 SER H 1 1
1 315 1 1 23 SER HA H 5.103 5.433 -3.889 1.00 . A A . 23 SER HA 1 1
1 316 1 1 23 SER HB2 H 6.171 3.255 -5.628 1.00 . A A . 23 SER HB2 1 1
1 317 1 1 23 SER HB3 H 5.179 4.495 -6.389 1.00 . A A . 23 SER HB3 1 1
1 318 1 1 23 SER HG H 7.718 4.642 -5.696 1.00 . A A . 23 SER HG 1 1
1 319 1 1 23 SER N N 5.662 3.494 -3.272 1.00 . A A . 23 SER N 1 1
1 320 1 1 23 SER O O 3.043 4.162 -5.593 1.00 . A A . 23 SER O 1 1
1 321 1 1 23 SER OG O 6.926 5.154 -5.517 1.00 . A A . 23 SER OG 1 1
1 322 1 1 24 CYS C C 0.602 4.657 -2.920 1.00 . A A . 24 CYS C 1 1
1 323 1 1 24 CYS CA C 1.399 3.515 -3.555 1.00 . A A . 24 CYS CA 1 1
1 324 1 1 24 CYS CB C 1.302 2.200 -2.805 1.00 . A A . 24 CYS CB 1 1
1 325 1 1 24 CYS H H 3.241 3.776 -2.575 1.00 . A A . 24 CYS H 1 1
1 326 1 1 24 CYS HA H 1.100 3.382 -4.572 1.00 . A A . 24 CYS HA 1 1
1 327 1 1 24 CYS HB2 H 0.461 1.680 -3.146 1.00 . A A . 24 CYS HB2 1 1
1 328 1 1 24 CYS HB3 H 2.187 1.617 -3.008 1.00 . A A . 24 CYS HB3 1 1
1 329 1 1 24 CYS N N 2.831 3.809 -3.445 1.00 . A A . 24 CYS N 1 1
1 330 1 1 24 CYS O O 0.925 5.132 -1.862 1.00 . A A . 24 CYS O 1 1
1 331 1 1 24 CYS SG S 1.175 2.458 -1.029 1.00 . A A . 24 CYS SG 1 1
1 332 1 1 25 SER C C -2.047 5.854 -1.818 1.00 . A A . 25 SER C 1 1
1 333 1 1 25 SER CA C -1.183 6.286 -2.998 1.00 . A A . 25 SER CA 1 1
1 334 1 1 25 SER CB C -2.055 6.798 -4.144 1.00 . A A . 25 SER CB 1 1
1 335 1 1 25 SER H H -0.657 4.772 -4.451 1.00 . A A . 25 SER H 1 1
1 336 1 1 25 SER HA H -0.504 7.062 -2.678 1.00 . A A . 25 SER HA 1 1
1 337 1 1 25 SER HB2 H -2.645 7.633 -3.805 1.00 . A A . 25 SER HB2 1 1
1 338 1 1 25 SER HB3 H -1.423 7.115 -4.963 1.00 . A A . 25 SER HB3 1 1
1 339 1 1 25 SER HG H -3.791 5.921 -4.198 1.00 . A A . 25 SER HG 1 1
1 340 1 1 25 SER N N -0.415 5.139 -3.575 1.00 . A A . 25 SER N 1 1
1 341 1 1 25 SER O O -2.917 6.584 -1.387 1.00 . A A . 25 SER O 1 1
1 342 1 1 25 SER OG O -2.922 5.757 -4.572 1.00 . A A . 25 SER OG 1 1
1 343 1 1 26 CYS C C -2.554 5.341 0.981 1.00 . A A . 26 CYS C 1 1
1 344 1 1 26 CYS CA C -2.621 4.278 -0.114 1.00 . A A . 26 CYS CA 1 1
1 345 1 1 26 CYS CB C -1.930 3.017 0.353 1.00 . A A . 26 CYS CB 1 1
1 346 1 1 26 CYS H H -1.103 4.111 -1.604 1.00 . A A . 26 CYS H 1 1
1 347 1 1 26 CYS HA H -3.639 4.070 -0.399 1.00 . A A . 26 CYS HA 1 1
1 348 1 1 26 CYS HB2 H -0.857 3.116 0.187 1.00 . A A . 26 CYS HB2 1 1
1 349 1 1 26 CYS HB3 H -2.115 2.882 1.393 1.00 . A A . 26 CYS HB3 1 1
1 350 1 1 26 CYS N N -1.815 4.700 -1.271 1.00 . A A . 26 CYS N 1 1
1 351 1 1 26 CYS O O -1.502 5.583 1.539 1.00 . A A . 26 CYS O 1 1
1 352 1 1 26 CYS SG S -2.567 1.602 -0.576 1.00 . A A . 26 CYS SG 1 1
1 353 1 1 27 PRO C C -3.474 6.271 3.660 1.00 . A A . 27 PRO C 1 1
1 354 1 1 27 PRO CA C -3.723 6.954 2.337 1.00 . A A . 27 PRO CA 1 1
1 355 1 1 27 PRO CB C -5.139 7.514 2.238 1.00 . A A . 27 PRO CB 1 1
1 356 1 1 27 PRO CD C -4.991 5.696 0.669 1.00 . A A . 27 PRO CD 1 1
1 357 1 1 27 PRO CG C -5.934 6.424 1.592 1.00 . A A . 27 PRO CG 1 1
1 358 1 1 27 PRO HA H -2.994 7.719 2.170 1.00 . A A . 27 PRO HA 1 1
1 359 1 1 27 PRO HB2 H -5.526 7.732 3.225 1.00 . A A . 27 PRO HB2 1 1
1 360 1 1 27 PRO HB3 H -5.153 8.398 1.622 1.00 . A A . 27 PRO HB3 1 1
1 361 1 1 27 PRO HD2 H -5.223 4.640 0.647 1.00 . A A . 27 PRO HD2 1 1
1 362 1 1 27 PRO HD3 H -5.025 6.117 -0.323 1.00 . A A . 27 PRO HD3 1 1
1 363 1 1 27 PRO HG2 H -6.315 5.749 2.346 1.00 . A A . 27 PRO HG2 1 1
1 364 1 1 27 PRO HG3 H -6.748 6.845 1.023 1.00 . A A . 27 PRO HG3 1 1
1 365 1 1 27 PRO N N -3.677 5.929 1.274 1.00 . A A . 27 PRO N 1 1
1 366 1 1 27 PRO O O -4.370 5.694 4.214 1.00 . A A . 27 PRO O 1 1
1 367 1 1 28 THR C C -2.925 5.442 6.341 1.00 . A A . 28 THR C 1 1
1 368 1 1 28 THR CA C -1.788 5.623 5.364 1.00 . A A . 28 THR CA 1 1
1 369 1 1 28 THR CB C -0.673 6.491 5.930 1.00 . A A . 28 THR CB 1 1
1 370 1 1 28 THR CG2 C 0.563 6.328 5.047 1.00 . A A . 28 THR CG2 1 1
1 371 1 1 28 THR H H -1.568 6.762 3.571 1.00 . A A . 28 THR H 1 1
1 372 1 1 28 THR HA H -1.400 4.650 5.103 1.00 . A A . 28 THR HA 1 1
1 373 1 1 28 THR HB H -0.439 6.176 6.934 1.00 . A A . 28 THR HB 1 1
1 374 1 1 28 THR HG1 H -0.418 8.361 6.405 1.00 . A A . 28 THR HG1 1 1
1 375 1 1 28 THR HG21 H 0.510 5.379 4.533 1.00 . A A . 28 THR HG21 1 1
1 376 1 1 28 THR HG22 H 0.595 7.127 4.323 1.00 . A A . 28 THR HG22 1 1
1 377 1 1 28 THR HG23 H 1.450 6.357 5.660 1.00 . A A . 28 THR HG23 1 1
1 378 1 1 28 THR N N -2.233 6.314 4.109 1.00 . A A . 28 THR N 1 1
1 379 1 1 28 THR O O -3.028 6.031 7.399 1.00 . A A . 28 THR O 1 1
1 380 1 1 28 THR OG1 O -1.085 7.852 5.937 1.00 . A A . 28 THR OG1 1 1
1 381 1 1 29 GLY C C -5.410 2.802 5.999 1.00 . A A . 29 GLY C 1 1
1 382 1 1 29 GLY CA C -4.960 4.137 6.622 1.00 . A A . 29 GLY CA 1 1
1 383 1 1 29 GLY H H -3.533 4.180 5.064 1.00 . A A . 29 GLY H 1 1
1 384 1 1 29 GLY HA2 H -4.741 4.001 7.672 1.00 . A A . 29 GLY HA2 1 1
1 385 1 1 29 GLY HA3 H -5.741 4.870 6.500 1.00 . A A . 29 GLY HA3 1 1
1 386 1 1 29 GLY N N -3.746 4.573 5.911 1.00 . A A . 29 GLY N 1 1
1 387 1 1 29 GLY O O -6.233 2.103 6.557 1.00 . A A . 29 GLY O 1 1
1 388 1 1 30 CYS C C -5.346 0.028 5.224 1.00 . A A . 30 CYS C 1 1
1 389 1 1 30 CYS CA C -5.321 1.160 4.197 1.00 . A A . 30 CYS CA 1 1
1 390 1 1 30 CYS CB C -4.277 0.889 3.118 1.00 . A A . 30 CYS CB 1 1
1 391 1 1 30 CYS H H -4.223 3.006 4.358 1.00 . A A . 30 CYS H 1 1
1 392 1 1 30 CYS HA H -6.293 1.276 3.743 1.00 . A A . 30 CYS HA 1 1
1 393 1 1 30 CYS HB2 H -4.072 1.804 2.585 1.00 . A A . 30 CYS HB2 1 1
1 394 1 1 30 CYS HB3 H -3.371 0.530 3.578 1.00 . A A . 30 CYS HB3 1 1
1 395 1 1 30 CYS N N -4.889 2.438 4.829 1.00 . A A . 30 CYS N 1 1
1 396 1 1 30 CYS O O -4.326 -0.381 5.742 1.00 . A A . 30 CYS O 1 1
1 397 1 1 30 CYS SG S -4.909 -0.351 1.961 1.00 . A A . 30 CYS SG 1 1
1 398 1 1 31 ASN C C -7.649 -2.616 6.020 1.00 . A A . 31 ASN C 1 1
1 399 1 1 31 ASN CA C -6.619 -1.590 6.501 1.00 . A A . 31 ASN CA 1 1
1 400 1 1 31 ASN CB C -7.084 -0.920 7.795 1.00 . A A . 31 ASN CB 1 1
1 401 1 1 31 ASN CG C -6.124 -1.282 8.929 1.00 . A A . 31 ASN CG 1 1
1 402 1 1 31 ASN H H -7.314 -0.133 5.076 1.00 . A A . 31 ASN H 1 1
1 403 1 1 31 ASN HA H -5.660 -2.058 6.651 1.00 . A A . 31 ASN HA 1 1
1 404 1 1 31 ASN HB2 H -7.096 0.152 7.661 1.00 . A A . 31 ASN HB2 1 1
1 405 1 1 31 ASN HB3 H -8.077 -1.264 8.043 1.00 . A A . 31 ASN HB3 1 1
1 406 1 1 31 ASN HD21 H -4.709 -0.027 8.323 1.00 . A A . 31 ASN HD21 1 1
1 407 1 1 31 ASN HD22 H -4.338 -0.920 9.718 1.00 . A A . 31 ASN HD22 1 1
1 408 1 1 31 ASN N N -6.509 -0.481 5.513 1.00 . A A . 31 ASN N 1 1
1 409 1 1 31 ASN ND2 N -4.960 -0.694 8.996 1.00 . A A . 31 ASN ND2 1 1
1 410 1 1 31 ASN O O -8.111 -3.450 6.774 1.00 . A A . 31 ASN O 1 1
1 411 1 1 31 ASN OD1 O -6.435 -2.109 9.763 1.00 . A A . 31 ASN OD1 1 1
1 412 1 1 32 SER C C -8.379 -4.367 3.116 1.00 . A A . 32 SER C 1 1
1 413 1 1 32 SER CA C -9.009 -3.528 4.230 1.00 . A A . 32 SER CA 1 1
1 414 1 1 32 SER CB C -10.141 -2.660 3.679 1.00 . A A . 32 SER CB 1 1
1 415 1 1 32 SER H H -7.624 -1.879 4.177 1.00 . A A . 32 SER H 1 1
1 416 1 1 32 SER HA H -9.381 -4.165 5.015 1.00 . A A . 32 SER HA 1 1
1 417 1 1 32 SER HB2 H -9.740 -1.724 3.327 1.00 . A A . 32 SER HB2 1 1
1 418 1 1 32 SER HB3 H -10.620 -3.176 2.857 1.00 . A A . 32 SER HB3 1 1
1 419 1 1 32 SER HG H -11.001 -3.099 5.370 1.00 . A A . 32 SER HG 1 1
1 420 1 1 32 SER N N -8.010 -2.560 4.767 1.00 . A A . 32 SER N 1 1
1 421 1 1 32 SER O O -7.222 -4.203 2.780 1.00 . A A . 32 SER O 1 1
1 422 1 1 32 SER OG O -11.085 -2.405 4.712 1.00 . A A . 32 SER OG 1 1
1 423 1 1 33 ASP C C -9.122 -5.661 0.099 1.00 . A A . 33 ASP C 1 1
1 424 1 1 33 ASP CA C -8.565 -6.110 1.450 1.00 . A A . 33 ASP CA 1 1
1 425 1 1 33 ASP CB C -9.018 -7.533 1.776 1.00 . A A . 33 ASP CB 1 1
1 426 1 1 33 ASP CG C -7.875 -8.285 2.461 1.00 . A A . 33 ASP CG 1 1
1 427 1 1 33 ASP H H -10.058 -5.383 2.824 1.00 . A A . 33 ASP H 1 1
1 428 1 1 33 ASP HA H -7.488 -6.056 1.449 1.00 . A A . 33 ASP HA 1 1
1 429 1 1 33 ASP HB2 H -9.873 -7.497 2.436 1.00 . A A . 33 ASP HB2 1 1
1 430 1 1 33 ASP HB3 H -9.286 -8.044 0.864 1.00 . A A . 33 ASP HB3 1 1
1 431 1 1 33 ASP N N -9.127 -5.264 2.541 1.00 . A A . 33 ASP N 1 1
1 432 1 1 33 ASP O O -8.433 -5.670 -0.902 1.00 . A A . 33 ASP O 1 1
1 433 1 1 33 ASP OD1 O -7.576 -7.960 3.598 1.00 . A A . 33 ASP OD1 1 1
1 434 1 1 33 ASP OD2 O -7.317 -9.171 1.836 1.00 . A A . 33 ASP OD2 1 1
1 435 1 1 34 ASP C C -10.778 -3.290 -1.353 1.00 . A A . 34 ASP C 1 1
1 436 1 1 34 ASP CA C -10.957 -4.785 -1.217 1.00 . A A . 34 ASP CA 1 1
1 437 1 1 34 ASP CB C -12.435 -5.176 -1.170 1.00 . A A . 34 ASP CB 1 1
1 438 1 1 34 ASP CG C -12.628 -6.530 -1.855 1.00 . A A . 34 ASP CG 1 1
1 439 1 1 34 ASP H H -10.888 -5.233 0.882 1.00 . A A . 34 ASP H 1 1
1 440 1 1 34 ASP HA H -10.458 -5.264 -2.034 1.00 . A A . 34 ASP HA 1 1
1 441 1 1 34 ASP HB2 H -12.757 -5.243 -0.141 1.00 . A A . 34 ASP HB2 1 1
1 442 1 1 34 ASP HB3 H -13.022 -4.428 -1.683 1.00 . A A . 34 ASP HB3 1 1
1 443 1 1 34 ASP N N -10.362 -5.253 0.065 1.00 . A A . 34 ASP N 1 1
1 444 1 1 34 ASP O O -11.542 -2.598 -1.994 1.00 . A A . 34 ASP O 1 1
1 445 1 1 34 ASP OD1 O -11.908 -7.453 -1.512 1.00 . A A . 34 ASP OD1 1 1
1 446 1 1 34 ASP OD2 O -13.492 -6.621 -2.711 1.00 . A A . 34 ASP OD2 1 1
1 447 1 1 35 LYS C C -7.916 -1.293 -1.095 1.00 . A A . 35 LYS C 1 1
1 448 1 1 35 LYS CA C -9.403 -1.382 -0.876 1.00 . A A . 35 LYS CA 1 1
1 449 1 1 35 LYS CB C -9.815 -0.759 0.458 1.00 . A A . 35 LYS CB 1 1
1 450 1 1 35 LYS CD C -11.926 0.563 0.313 1.00 . A A . 35 LYS CD 1 1
1 451 1 1 35 LYS CE C -12.530 0.586 -1.092 1.00 . A A . 35 LYS CE 1 1
1 452 1 1 35 LYS CG C -10.403 0.630 0.212 1.00 . A A . 35 LYS CG 1 1
1 453 1 1 35 LYS H H -9.135 -3.424 -0.318 1.00 . A A . 35 LYS H 1 1
1 454 1 1 35 LYS HA H -9.922 -0.937 -1.695 1.00 . A A . 35 LYS HA 1 1
1 455 1 1 35 LYS HB2 H -10.554 -1.385 0.934 1.00 . A A . 35 LYS HB2 1 1
1 456 1 1 35 LYS HB3 H -8.949 -0.672 1.098 1.00 . A A . 35 LYS HB3 1 1
1 457 1 1 35 LYS HD2 H -12.214 -0.349 0.816 1.00 . A A . 35 LYS HD2 1 1
1 458 1 1 35 LYS HD3 H -12.288 1.413 0.872 1.00 . A A . 35 LYS HD3 1 1
1 459 1 1 35 LYS HE2 H -11.748 0.693 -1.833 1.00 . A A . 35 LYS HE2 1 1
1 460 1 1 35 LYS HE3 H -13.101 -0.312 -1.273 1.00 . A A . 35 LYS HE3 1 1
1 461 1 1 35 LYS HG2 H -10.021 1.320 0.951 1.00 . A A . 35 LYS HG2 1 1
1 462 1 1 35 LYS HG3 H -10.125 0.969 -0.775 1.00 . A A . 35 LYS HG3 1 1
1 463 1 1 35 LYS HZ1 H -13.842 1.903 -0.159 1.00 . A A . 35 LYS HZ1 1 1
1 464 1 1 35 LYS HZ2 H -12.879 2.620 -1.357 1.00 . A A . 35 LYS HZ2 1 1
1 465 1 1 35 LYS HZ3 H -14.186 1.628 -1.800 1.00 . A A . 35 LYS HZ3 1 1
1 466 1 1 35 LYS N N -9.735 -2.816 -0.784 1.00 . A A . 35 LYS N 1 1
1 467 1 1 35 LYS NZ N -13.427 1.774 -1.103 1.00 . A A . 35 LYS NZ 1 1
1 468 1 1 35 LYS O O -7.253 -0.344 -0.727 1.00 . A A . 35 LYS O 1 1
1 469 1 1 36 CYS C C -5.694 -2.853 -3.371 1.00 . A A . 36 CYS C 1 1
1 470 1 1 36 CYS CA C -5.952 -2.365 -1.973 1.00 . A A . 36 CYS CA 1 1
1 471 1 1 36 CYS CB C -5.405 -3.391 -1.031 1.00 . A A . 36 CYS CB 1 1
1 472 1 1 36 CYS H H -7.983 -3.057 -1.972 1.00 . A A . 36 CYS H 1 1
1 473 1 1 36 CYS HA H -5.486 -1.410 -1.799 1.00 . A A . 36 CYS HA 1 1
1 474 1 1 36 CYS HB2 H -5.970 -3.371 -0.132 1.00 . A A . 36 CYS HB2 1 1
1 475 1 1 36 CYS HB3 H -5.501 -4.351 -1.503 1.00 . A A . 36 CYS HB3 1 1
1 476 1 1 36 CYS N N -7.400 -2.312 -1.700 1.00 . A A . 36 CYS N 1 1
1 477 1 1 36 CYS O O -5.088 -3.889 -3.562 1.00 . A A . 36 CYS O 1 1
1 478 1 1 36 CYS SG S -3.661 -3.052 -0.682 1.00 . A A . 36 CYS SG 1 1
1 479 1 1 37 PRO C C -4.457 -1.881 -6.028 1.00 . A A . 37 PRO C 1 1
1 480 1 1 37 PRO CA C -5.839 -2.419 -5.693 1.00 . A A . 37 PRO CA 1 1
1 481 1 1 37 PRO CB C -6.972 -1.725 -6.442 1.00 . A A . 37 PRO CB 1 1
1 482 1 1 37 PRO CD C -6.839 -0.833 -4.170 1.00 . A A . 37 PRO CD 1 1
1 483 1 1 37 PRO CG C -7.434 -0.612 -5.538 1.00 . A A . 37 PRO CG 1 1
1 484 1 1 37 PRO HA H -5.871 -3.482 -5.831 1.00 . A A . 37 PRO HA 1 1
1 485 1 1 37 PRO HB2 H -6.607 -1.324 -7.378 1.00 . A A . 37 PRO HB2 1 1
1 486 1 1 37 PRO HB3 H -7.782 -2.415 -6.620 1.00 . A A . 37 PRO HB3 1 1
1 487 1 1 37 PRO HD2 H -6.174 -0.021 -3.911 1.00 . A A . 37 PRO HD2 1 1
1 488 1 1 37 PRO HD3 H -7.617 -0.940 -3.430 1.00 . A A . 37 PRO HD3 1 1
1 489 1 1 37 PRO HG2 H -7.109 0.336 -5.926 1.00 . A A . 37 PRO HG2 1 1
1 490 1 1 37 PRO HG3 H -8.511 -0.631 -5.461 1.00 . A A . 37 PRO HG3 1 1
1 491 1 1 37 PRO N N -6.101 -2.080 -4.305 1.00 . A A . 37 PRO N 1 1
1 492 1 1 37 PRO O O -4.191 -1.391 -7.108 1.00 . A A . 37 PRO O 1 1
1 493 1 1 38 CYS C C -1.281 -2.509 -5.811 1.00 . A A . 38 CYS C 1 1
1 494 1 1 38 CYS CA C -2.200 -1.464 -5.222 1.00 . A A . 38 CYS CA 1 1
1 495 1 1 38 CYS CB C -1.800 -1.102 -3.806 1.00 . A A . 38 CYS CB 1 1
1 496 1 1 38 CYS H H -3.852 -2.354 -4.190 1.00 . A A . 38 CYS H 1 1
1 497 1 1 38 CYS HA H -2.170 -0.577 -5.836 1.00 . A A . 38 CYS HA 1 1
1 498 1 1 38 CYS HB2 H -2.197 -0.139 -3.600 1.00 . A A . 38 CYS HB2 1 1
1 499 1 1 38 CYS HB3 H -2.225 -1.820 -3.118 1.00 . A A . 38 CYS HB3 1 1
1 500 1 1 38 CYS N N -3.583 -1.966 -5.059 1.00 . A A . 38 CYS N 1 1
1 501 1 1 38 CYS O O -1.325 -3.684 -5.502 1.00 . A A . 38 CYS O 1 1
1 502 1 1 38 CYS SG S -0.001 -1.062 -3.607 1.00 . A A . 38 CYS SG 1 1
1 503 1 1 39 GLY C C 1.902 -2.151 -7.344 1.00 . A A . 39 GLY C 1 1
1 504 1 1 39 GLY CA C 0.570 -2.901 -7.312 1.00 . A A . 39 GLY CA 1 1
1 505 1 1 39 GLY H H -0.453 -1.071 -6.826 1.00 . A A . 39 GLY H 1 1
1 506 1 1 39 GLY HA2 H 0.681 -3.822 -6.756 1.00 . A A . 39 GLY HA2 1 1
1 507 1 1 39 GLY HA3 H 0.256 -3.118 -8.321 1.00 . A A . 39 GLY HA3 1 1
1 508 1 1 39 GLY N N -0.434 -2.035 -6.647 1.00 . A A . 39 GLY N 1 1
1 509 1 1 39 GLY O O 2.864 -2.596 -7.938 1.00 . A A . 39 GLY O 1 1
1 510 1 1 40 ASN C C 3.227 0.768 -5.530 1.00 . A A . 40 ASN C 1 1
1 511 1 1 40 ASN CA C 3.231 -0.225 -6.696 1.00 . A A . 40 ASN CA 1 1
1 512 1 1 40 ASN CB C 3.247 0.514 -8.036 1.00 . A A . 40 ASN CB 1 1
1 513 1 1 40 ASN CG C 1.892 1.186 -8.265 1.00 . A A . 40 ASN CG 1 1
1 514 1 1 40 ASN H H 1.167 -0.665 -6.227 1.00 . A A . 40 ASN H 1 1
1 515 1 1 40 ASN HA H 4.082 -0.884 -6.629 1.00 . A A . 40 ASN HA 1 1
1 516 1 1 40 ASN HB2 H 4.026 1.264 -8.024 1.00 . A A . 40 ASN HB2 1 1
1 517 1 1 40 ASN HB3 H 3.437 -0.190 -8.832 1.00 . A A . 40 ASN HB3 1 1
1 518 1 1 40 ASN HD21 H 2.124 2.479 -6.777 1.00 . A A . 40 ASN HD21 1 1
1 519 1 1 40 ASN HD22 H 0.663 2.611 -7.634 1.00 . A A . 40 ASN HD22 1 1
1 520 1 1 40 ASN N N 1.962 -1.009 -6.705 1.00 . A A . 40 ASN N 1 1
1 521 1 1 40 ASN ND2 N 1.530 2.173 -7.495 1.00 . A A . 40 ASN ND2 1 1
1 522 1 1 40 ASN O O 2.153 1.060 -5.031 1.00 . A A . 40 ASN O 1 1
1 523 1 1 40 ASN OXT O 4.298 1.218 -5.156 1.00 . A A . 40 ASN OXT 1 1
1 524 1 1 40 ASN OD1 O 1.157 0.806 -9.155 1.00 . A A . 40 ASN OD1 1 1
1 525 2 2 1 AG AG AG 0.846 0.343 0.255 1.00 . B A . 41 AG AG 1 1
1 526 3 2 1 AG AG AG -1.646 -3.783 0.672 1.00 . C A . 42 AG AG 1 1
1 527 4 2 1 AG AG AG 3.575 -1.746 -0.921 1.00 . D A . 43 AG AG 1 1
1 528 5 2 1 AG AG AG -0.714 0.773 -2.028 1.00 . E A . 44 AG AG 1 1
1 529 6 2 1 AG AG AG -3.898 -2.582 2.473 1.00 . F A . 45 AG AG 1 1
1 530 7 2 1 AG AG AG -3.392 -0.662 -0.018 1.00 . G A . 46 AG AG 1 1
1 531 8 2 1 AG AG AG 0.557 -1.586 -1.227 1.00 . H A . 47 AG AG 1 1
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