NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
369106 |
1b5n   |
4292 | cing | 4-filtered-FRED | STAR | entry | full | 326 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1b5n
# This FRED archive file contains, for PDB entry <1b5n>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1b5n
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1b5n
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 2488.78
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 $PROTEIN__PLASMATOCYTE_SPREADING_PEPTIDE_ A . 1 1
stop_
save_
save_PROTEIN__PLASMATOCYTE_SPREADING_PEPTIDE_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PROTEIN PLASMATOCYTE SPREADING PEPTIDE "
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ENFNGGCLAGYMRTADGRCKPTF
_Entity.Number_of_monomers 23
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 GLU . 1 1
2 ASN . 1 1
3 PHE . 1 1
4 ASN . 1 1
5 GLY . 1 1
6 GLY . 1 1
7 CYS . 1 1
8 LEU . 1 1
9 ALA . 1 1
10 GLY . 1 1
11 TYR . 1 1
12 MET . 1 1
13 ARG . 1 1
14 THR . 1 1
15 ALA . 1 1
16 ASP . 1 1
17 GLY . 1 1
18 ARG . 1 1
19 CYS . 1 1
20 LYS . 1 1
21 PRO . 1 1
22 THR . 1 1
23 PHE . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLU 1 1 1 1
ASN 2 2 1 1
PHE 3 3 1 1
ASN 4 4 1 1
GLY 5 5 1 1
GLY 6 6 1 1
CYS 7 7 1 1
LEU 8 8 1 1
ALA 9 9 1 1
GLY 10 10 1 1
TYR 11 11 1 1
MET 12 12 1 1
ARG 13 13 1 1
THR 14 14 1 1
ALA 15 15 1 1
ASP 16 16 1 1
GLY 17 17 1 1
ARG 18 18 1 1
CYS 19 19 1 1
LYS 20 20 1 1
PRO 21 21 1 1
THR 22 22 1 1
PHE 23 23 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
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20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
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24 1 . . . 1 1
25 1 . . . 1 1
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27 1 . . . 1 1
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160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
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165 1 . . . 1 1
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167 1 . . . 1 1
168 1 . . . 1 1
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170 1 . . . 1 1
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220 1 . . . 1 1
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224 1 . . . 1 1
225 1 . . . 1 1
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230 1 . . . 1 1
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244 1 . . . 1 1
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246 1 . . . 1 1
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248 1 . . . 1 1
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250 1 . . . 1 1
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252 1 . . . 1 1
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255 1 . . . 1 1
256 1 . . . 1 1
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258 1 . . . 1 1
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260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
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275 1 . . . 1 1
276 1 . . . 1 1
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280 1 . . . 1 1
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317 1 . . . 1 1
318 1 . . . 1 1
319 1 . . . 1 1
320 1 . . . 1 1
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323 1 . . . 1 1
324 1 . . . 1 1
325 1 . . . 1 1
326 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 ASN HA . 2 ASN HA 1 1
1 1 2 1 1 3 PHE H . 3 PHE HN 1 1
2 1 1 1 1 2 ASN QB . 2 ASN QB 1 1
2 1 2 1 1 3 PHE H . 3 PHE HN 1 1
3 1 1 1 1 2 ASN HB2 . 2 ASN HB2 1 1
3 1 2 1 1 3 PHE H . 3 PHE HN 1 1
4 1 1 1 1 2 ASN HB3 . 2 ASN HB3 1 1
4 1 2 1 1 3 PHE H . 3 PHE HN 1 1
5 1 1 1 1 3 PHE H . 3 PHE HN 1 1
5 1 2 1 1 3 PHE HB2 . 3 PHE HB2 1 1
6 1 1 1 1 3 PHE H . 3 PHE HN 1 1
6 1 2 1 1 3 PHE QB . 3 PHE QB 1 1
7 1 1 1 1 3 PHE H . 3 PHE HN 1 1
7 1 2 1 1 3 PHE HB3 . 3 PHE HB3 1 1
8 1 1 1 1 3 PHE QD . 3 PHE QD 1 1
8 1 2 1 1 4 ASN H . 4 ASN HN 1 1
9 1 1 1 1 3 PHE QD . 3 PHE QD 1 1
9 1 2 1 1 4 ASN HB2 . 4 ASN HB2 1 1
10 1 1 1 1 3 PHE QD . 3 PHE QD 1 1
10 1 2 1 1 4 ASN HB3 . 4 ASN HB3 1 1
11 1 1 1 1 3 PHE QD . 3 PHE QD 1 1
11 1 2 1 1 5 GLY H . 5 GLY HN 1 1
12 1 1 1 1 4 ASN H . 4 ASN HN 1 1
12 1 2 1 1 4 ASN HA . 4 ASN HA 1 1
13 1 1 1 1 4 ASN H . 4 ASN HN 1 1
13 1 2 1 1 4 ASN HB2 . 4 ASN HB2 1 1
14 1 1 1 1 4 ASN H . 4 ASN HN 1 1
14 1 2 1 1 4 ASN QB . 4 ASN QB 1 1
15 1 1 1 1 4 ASN H . 4 ASN HN 1 1
15 1 2 1 1 4 ASN HB3 . 4 ASN HB3 1 1
16 1 1 1 1 4 ASN H . 4 ASN HN 1 1
16 1 2 1 1 5 GLY H . 5 GLY HN 1 1
17 1 1 1 1 4 ASN H . 4 ASN HN 1 1
17 1 2 1 1 5 GLY QA . 5 GLY QA 1 1
18 1 1 1 1 4 ASN H . 4 ASN HN 1 1
18 1 2 1 1 6 GLY H . 6 GLY HN 1 1
19 1 1 1 1 4 ASN HA . 4 ASN HA 1 1
19 1 2 1 1 5 GLY H . 5 GLY HN 1 1
20 1 1 1 1 4 ASN HA . 4 ASN HA 1 1
20 1 2 1 1 6 GLY H . 6 GLY HN 1 1
21 1 1 1 1 4 ASN QB . 4 ASN QB 1 1
21 1 2 1 1 6 GLY H . 6 GLY HN 1 1
22 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
22 1 2 1 1 5 GLY QA . 5 GLY QA 1 1
23 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
23 1 2 1 1 7 CYS HA . 7 CYSS HA 1 1
24 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
24 1 2 1 1 10 GLY H . 10 GLY HN 1 1
25 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
25 1 2 1 1 11 TYR H . 11 TYR HN 1 1
26 1 1 1 1 5 GLY H . 5 GLY HN 1 1
26 1 2 1 1 6 GLY H . 6 GLY HN 1 1
27 1 1 1 1 5 GLY H . 5 GLY HN 1 1
27 1 2 1 1 6 GLY QA . 6 GLY QA 1 1
28 1 1 1 1 5 GLY QA . 5 GLY QA 1 1
28 1 2 1 1 6 GLY H . 6 GLY HN 1 1
29 1 1 1 1 5 GLY QA . 5 GLY QA 1 1
29 1 2 1 1 13 ARG HE . 13 ARG HE 1 1
30 1 1 1 1 5 GLY HA2 . 5 GLY HA1 1 1
30 1 2 1 1 6 GLY H . 6 GLY HN 1 1
31 1 1 1 1 5 GLY HA3 . 5 GLY HA2 1 1
31 1 2 1 1 6 GLY H . 6 GLY HN 1 1
32 1 1 1 1 6 GLY H . 6 GLY HN 1 1
32 1 2 1 1 7 CYS H . 7 CYSS HN 1 1
33 1 1 1 1 6 GLY H . 6 GLY HN 1 1
33 1 2 1 1 7 CYS HA . 7 CYSS HA 1 1
34 1 1 1 1 7 CYS CB . 7 CYSS CB 1 1
34 1 2 1 1 19 CYS CB . 19 CYSS CB 1 1
35 1 1 1 1 7 CYS H . 7 CYSS HN 1 1
35 1 2 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
36 1 1 1 1 7 CYS H . 7 CYSS HN 1 1
36 1 2 1 1 7 CYS QB . 7 CYSS QB 1 1
37 1 1 1 1 7 CYS H . 7 CYSS HN 1 1
37 1 2 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
38 1 1 1 1 7 CYS HA . 7 CYSS HA 1 1
38 1 2 1 1 8 LEU H . 8 LEU HN 1 1
39 1 1 1 1 7 CYS HA . 7 CYSS HA 1 1
39 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
40 1 1 1 1 7 CYS HA . 7 CYSS HA 1 1
40 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
41 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
41 1 2 1 1 8 LEU H . 8 LEU HN 1 1
42 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
42 1 2 1 1 11 TYR H . 11 TYR HN 1 1
43 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
43 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
44 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
44 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
45 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
45 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
46 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
46 1 2 1 1 12 MET H . 12 MET HN 1 1
47 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
47 1 2 1 1 13 ARG H . 13 ARG HN 1 1
48 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
48 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
49 1 1 1 1 7 CYS QB . 7 CYSS QB 1 1
49 1 2 1 1 20 LYS H . 20 LYS HN 1 1
50 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
50 1 2 1 1 8 LEU H . 8 LEU HN 1 1
51 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
51 1 2 1 1 11 TYR H . 11 TYR HN 1 1
52 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
52 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
53 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
53 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
54 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
54 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
55 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
55 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
56 1 1 1 1 7 CYS HB2 . 7 CYSS HB2 1 1
56 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
57 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
57 1 2 1 1 8 LEU H . 8 LEU HN 1 1
58 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
58 1 2 1 1 11 TYR H . 11 TYR HN 1 1
59 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
59 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
60 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
60 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
61 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
61 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
62 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
62 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
63 1 1 1 1 7 CYS HB3 . 7 CYSS HB3 1 1
63 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
64 1 1 1 1 7 CYS SG . 7 CYSS SG 1 1
64 1 2 1 1 19 CYS SG . 19 CYSS SG 1 1
65 1 1 1 1 8 LEU H . 8 LEU HN 1 1
65 1 2 1 1 8 LEU HB2 . 8 LEU HB2 1 1
66 1 1 1 1 8 LEU H . 8 LEU HN 1 1
66 1 2 1 1 8 LEU HB3 . 8 LEU HB3 1 1
67 1 1 1 1 8 LEU H . 8 LEU HN 1 1
67 1 2 1 1 8 LEU MD1 . 8 LEU QD1 1 1
68 1 1 1 1 8 LEU H . 8 LEU HN 1 1
68 1 2 1 1 8 LEU MD2 . 8 LEU QD2 1 1
69 1 1 1 1 8 LEU H . 8 LEU HN 1 1
69 1 2 1 1 8 LEU HG . 8 LEU HG 1 1
70 1 1 1 1 8 LEU H . 8 LEU HN 1 1
70 1 2 1 1 9 ALA H . 9 ALA HN 1 1
71 1 1 1 1 8 LEU H . 8 LEU HN 1 1
71 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
72 1 1 1 1 8 LEU H . 8 LEU HN 1 1
72 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
73 1 1 1 1 8 LEU H . 8 LEU HN 1 1
73 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
74 1 1 1 1 8 LEU H . 8 LEU HN 1 1
74 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
75 1 1 1 1 8 LEU HA . 8 LEU HA 1 1
75 1 2 1 1 8 LEU HG . 8 LEU HG 1 1
76 1 1 1 1 8 LEU QB . 8 LEU QB 1 1
76 1 2 1 1 8 LEU HG . 8 LEU HG 1 1
77 1 1 1 1 8 LEU QB . 8 LEU QB 1 1
77 1 2 1 1 9 ALA H . 9 ALA HN 1 1
78 1 1 1 1 8 LEU QB . 8 LEU QB 1 1
78 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
79 1 1 1 1 8 LEU QB . 8 LEU QB 1 1
79 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
80 1 1 1 1 8 LEU HB2 . 8 LEU HB2 1 1
80 1 2 1 1 9 ALA H . 9 ALA HN 1 1
81 1 1 1 1 8 LEU HB2 . 8 LEU HB2 1 1
81 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
82 1 1 1 1 8 LEU HB2 . 8 LEU HB2 1 1
82 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
83 1 1 1 1 8 LEU HB3 . 8 LEU HB3 1 1
83 1 2 1 1 9 ALA H . 9 ALA HN 1 1
84 1 1 1 1 8 LEU HB3 . 8 LEU HB3 1 1
84 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
85 1 1 1 1 8 LEU HB3 . 8 LEU HB3 1 1
85 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
86 1 1 1 1 8 LEU QD . 8 LEU QQD 1 1
86 1 2 1 1 9 ALA H . 9 ALA HN 1 1
87 1 1 1 1 8 LEU MD1 . 8 LEU QD1 1 1
87 1 2 1 1 9 ALA H . 9 ALA HN 1 1
88 1 1 1 1 8 LEU MD1 . 8 LEU QD1 1 1
88 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
89 1 1 1 1 8 LEU MD1 . 8 LEU QD1 1 1
89 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
90 1 1 1 1 8 LEU MD2 . 8 LEU QD2 1 1
90 1 2 1 1 9 ALA H . 9 ALA HN 1 1
91 1 1 1 1 8 LEU MD2 . 8 LEU QD2 1 1
91 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
92 1 1 1 1 8 LEU MD2 . 8 LEU QD2 1 1
92 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
93 1 1 1 1 8 LEU HG . 8 LEU HG 1 1
93 1 2 1 1 9 ALA H . 9 ALA HN 1 1
94 1 1 1 1 8 LEU HG . 8 LEU HG 1 1
94 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
95 1 1 1 1 8 LEU HG . 8 LEU HG 1 1
95 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
96 1 1 1 1 9 ALA H . 9 ALA HN 1 1
96 1 2 1 1 9 ALA HA . 9 ALA HA 1 1
97 1 1 1 1 9 ALA H . 9 ALA HN 1 1
97 1 2 1 1 9 ALA MB . 9 ALA QB 1 1
98 1 1 1 1 9 ALA H . 9 ALA HN 1 1
98 1 2 1 1 10 GLY H . 10 GLY HN 1 1
99 1 1 1 1 9 ALA H . 9 ALA HN 1 1
99 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
100 1 1 1 1 9 ALA HA . 9 ALA HA 1 1
100 1 2 1 1 10 GLY H . 10 GLY HN 1 1
101 1 1 1 1 9 ALA HA . 9 ALA HA 1 1
101 1 2 1 1 11 TYR H . 11 TYR HN 1 1
102 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
102 1 2 1 1 10 GLY QA . 10 GLY QA 1 1
103 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
103 1 2 1 1 11 TYR H . 11 TYR HN 1 1
104 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
104 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
105 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
105 1 2 1 1 11 TYR QE . 11 TYR QE 1 1
106 1 1 1 1 10 GLY H . 10 GLY HN 1 1
106 1 2 1 1 11 TYR H . 11 TYR HN 1 1
107 1 1 1 1 10 GLY H . 10 GLY HN 1 1
107 1 2 1 1 11 TYR QD . 11 TYR QD 1 1
108 1 1 1 1 10 GLY QA . 10 GLY QA 1 1
108 1 2 1 1 11 TYR HD2 . 11 TYR HD2 1 1
109 1 1 1 1 10 GLY QA . 10 GLY QA 1 1
109 1 2 1 1 22 THR MG . 22 THR QG2 1 1
110 1 1 1 1 10 GLY QA . 10 GLY QA 1 1
110 1 2 1 1 23 PHE QD . 23 PHE QD 1 1
111 1 1 1 1 11 TYR H . 11 TYR HN 1 1
111 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1
112 1 1 1 1 11 TYR H . 11 TYR HN 1 1
112 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1
113 1 1 1 1 11 TYR H . 11 TYR HN 1 1
113 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
114 1 1 1 1 11 TYR H . 11 TYR HN 1 1
114 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
115 1 1 1 1 11 TYR H . 11 TYR HN 1 1
115 1 2 1 1 22 THR MG . 22 THR QG2 1 1
116 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
116 1 2 1 1 12 MET H . 12 MET HN 1 1
117 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
117 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
118 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
118 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
119 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
119 1 2 1 1 21 PRO HB2 . 21 PRO HB2 1 1
120 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
120 1 2 1 1 22 THR H . 22 THR HN 1 1
121 1 1 1 1 11 TYR HA . 11 TYR HA 1 1
121 1 2 1 1 22 THR MG . 22 THR QG2 1 1
122 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1
122 1 2 1 1 12 MET H . 12 MET HN 1 1
123 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1
123 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
124 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1
124 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
125 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1
125 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
126 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1
126 1 2 1 1 20 LYS H . 20 LYS HN 1 1
127 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
127 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
128 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
128 1 2 1 1 20 LYS H . 20 LYS HN 1 1
129 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
129 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
130 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
130 1 2 1 1 22 THR H . 22 THR HN 1 1
131 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1
131 1 2 1 1 23 PHE QE . 23 PHE QE 1 1
132 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
132 1 2 1 1 12 MET H . 12 MET HN 1 1
133 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
133 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
134 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
134 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
135 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
135 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
136 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
136 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
137 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
137 1 2 1 1 20 LYS H . 20 LYS HN 1 1
138 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
138 1 2 1 1 20 LYS HA . 20 LYS HA 1 1
139 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
139 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
140 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
140 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
141 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
141 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
142 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
142 1 2 1 1 21 PRO HG2 . 21 PRO HG2 1 1
143 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
143 1 2 1 1 21 PRO HG3 . 21 PRO HG3 1 1
144 1 1 1 1 11 TYR QD . 11 TYR QD 1 1
144 1 2 1 1 22 THR H . 22 THR HN 1 1
145 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
145 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
146 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
146 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
147 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
147 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
148 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
148 1 2 1 1 20 LYS HA . 20 LYS HA 1 1
149 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
149 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
150 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
150 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
151 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
151 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
152 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
152 1 2 1 1 21 PRO HG2 . 21 PRO HG2 1 1
153 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
153 1 2 1 1 21 PRO QG . 21 PRO QG 1 1
154 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
154 1 2 1 1 21 PRO HG3 . 21 PRO HG3 1 1
155 1 1 1 1 11 TYR QE . 11 TYR QE 1 1
155 1 2 1 1 23 PHE QE . 23 PHE QE 1 1
156 1 1 1 1 12 MET H . 12 MET HN 1 1
156 1 2 1 1 12 MET HB2 . 12 MET HB2 1 1
157 1 1 1 1 12 MET H . 12 MET HN 1 1
157 1 2 1 1 12 MET QB . 12 MET QB 1 1
158 1 1 1 1 12 MET H . 12 MET HN 1 1
158 1 2 1 1 12 MET HB3 . 12 MET HB3 1 1
159 1 1 1 1 12 MET H . 12 MET HN 1 1
159 1 2 1 1 12 MET QG . 12 MET QG 1 1
160 1 1 1 1 12 MET H . 12 MET HN 1 1
160 1 2 1 1 13 ARG H . 13 ARG HN 1 1
161 1 1 1 1 12 MET H . 12 MET HN 1 1
161 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
162 1 1 1 1 12 MET H . 12 MET HN 1 1
162 1 2 1 1 19 CYS HB2 . 19 CYSS HB2 1 1
163 1 1 1 1 12 MET H . 12 MET HN 1 1
163 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
164 1 1 1 1 12 MET H . 12 MET HN 1 1
164 1 2 1 1 19 CYS HB3 . 19 CYSS HB3 1 1
165 1 1 1 1 12 MET H . 12 MET HN 1 1
165 1 2 1 1 20 LYS H . 20 LYS HN 1 1
166 1 1 1 1 12 MET H . 12 MET HN 1 1
166 1 2 1 1 21 PRO HA . 21 PRO HA 1 1
167 1 1 1 1 12 MET H . 12 MET HN 1 1
167 1 2 1 1 22 THR H . 22 THR HN 1 1
168 1 1 1 1 12 MET H . 12 MET HN 1 1
168 1 2 1 1 22 THR MG . 22 THR QG2 1 1
169 1 1 1 1 12 MET HA . 12 MET HA 1 1
169 1 2 1 1 13 ARG H . 13 ARG HN 1 1
170 1 1 1 1 12 MET HA . 12 MET HA 1 1
170 1 2 1 1 13 ARG QG . 13 ARG QG 1 1
171 1 1 1 1 12 MET HA . 12 MET HA 1 1
171 1 2 1 1 20 LYS H . 20 LYS HN 1 1
172 1 1 1 1 12 MET HA . 12 MET HA 1 1
172 1 2 1 1 22 THR MG . 22 THR QG2 1 1
173 1 1 1 1 12 MET QB . 12 MET QB 1 1
173 1 2 1 1 13 ARG H . 13 ARG HN 1 1
174 1 1 1 1 12 MET QB . 12 MET QB 1 1
174 1 2 1 1 22 THR HB . 22 THR HB 1 1
175 1 1 1 1 12 MET QB . 12 MET QB 1 1
175 1 2 1 1 22 THR MG . 22 THR QG2 1 1
176 1 1 1 1 12 MET HB2 . 12 MET HB2 1 1
176 1 2 1 1 13 ARG H . 13 ARG HN 1 1
177 1 1 1 1 12 MET HB2 . 12 MET HB2 1 1
177 1 2 1 1 22 THR MG . 22 THR QG2 1 1
178 1 1 1 1 12 MET HB3 . 12 MET HB3 1 1
178 1 2 1 1 13 ARG H . 13 ARG HN 1 1
179 1 1 1 1 12 MET HB3 . 12 MET HB3 1 1
179 1 2 1 1 22 THR MG . 22 THR QG2 1 1
180 1 1 1 1 12 MET ME . 12 MET QE 1 1
180 1 2 1 1 13 ARG H . 13 ARG HN 1 1
181 1 1 1 1 12 MET ME . 12 MET QE 1 1
181 1 2 1 1 14 THR HB . 14 THR HB 1 1
182 1 1 1 1 12 MET ME . 12 MET QE 1 1
182 1 2 1 1 14 THR MG . 14 THR QG2 1 1
183 1 1 1 1 12 MET ME . 12 MET QE 1 1
183 1 2 1 1 22 THR H . 22 THR HN 1 1
184 1 1 1 1 12 MET ME . 12 MET QE 1 1
184 1 2 1 1 22 THR HA . 22 THR HA 1 1
185 1 1 1 1 12 MET ME . 12 MET QE 1 1
185 1 2 1 1 22 THR MG . 22 THR QG2 1 1
186 1 1 1 1 12 MET QG . 12 MET QG 1 1
186 1 2 1 1 13 ARG H . 13 ARG HN 1 1
187 1 1 1 1 12 MET QG . 12 MET QG 1 1
187 1 2 1 1 14 THR MG . 14 THR QG2 1 1
188 1 1 1 1 12 MET QG . 12 MET QG 1 1
188 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
189 1 1 1 1 12 MET QG . 12 MET QG 1 1
189 1 2 1 1 20 LYS H . 20 LYS HN 1 1
190 1 1 1 1 12 MET QG . 12 MET QG 1 1
190 1 2 1 1 22 THR HA . 22 THR HA 1 1
191 1 1 1 1 12 MET QG . 12 MET QG 1 1
191 1 2 1 1 22 THR MG . 22 THR QG2 1 1
192 1 1 1 1 12 MET HG2 . 12 MET HG2 1 1
192 1 2 1 1 13 ARG H . 13 ARG HN 1 1
193 1 1 1 1 12 MET HG2 . 12 MET HG2 1 1
193 1 2 1 1 22 THR HA . 22 THR HA 1 1
194 1 1 1 1 12 MET HG2 . 12 MET HG2 1 1
194 1 2 1 1 22 THR MG . 22 THR QG2 1 1
195 1 1 1 1 12 MET HG3 . 12 MET HG3 1 1
195 1 2 1 1 13 ARG H . 13 ARG HN 1 1
196 1 1 1 1 12 MET HG3 . 12 MET HG3 1 1
196 1 2 1 1 22 THR HA . 22 THR HA 1 1
197 1 1 1 1 12 MET HG3 . 12 MET HG3 1 1
197 1 2 1 1 22 THR MG . 22 THR QG2 1 1
198 1 1 1 1 13 ARG H . 13 ARG HN 1 1
198 1 2 1 1 13 ARG QB . 13 ARG QB 1 1
199 1 1 1 1 13 ARG H . 13 ARG HN 1 1
199 1 2 1 1 13 ARG QD . 13 ARG QD 1 1
200 1 1 1 1 13 ARG H . 13 ARG HN 1 1
200 1 2 1 1 14 THR H . 14 THR HN 1 1
201 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
201 1 2 1 1 13 ARG QD . 13 ARG QD 1 1
202 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
202 1 2 1 1 14 THR H . 14 THR HN 1 1
203 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
203 1 2 1 1 14 THR MG . 14 THR QG2 1 1
204 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
204 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
205 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
205 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
206 1 1 1 1 13 ARG HA . 13 ARG HA 1 1
206 1 2 1 1 20 LYS H . 20 LYS HN 1 1
207 1 1 1 1 13 ARG QB . 13 ARG QB 1 1
207 1 2 1 1 13 ARG HE . 13 ARG HE 1 1
208 1 1 1 1 13 ARG QB . 13 ARG QB 1 1
208 1 2 1 1 14 THR H . 14 THR HN 1 1
209 1 1 1 1 13 ARG QB . 13 ARG QB 1 1
209 1 2 1 1 17 GLY HA2 . 17 GLY HA1 1 1
210 1 1 1 1 13 ARG QB . 13 ARG QB 1 1
210 1 2 1 1 17 GLY HA3 . 17 GLY HA2 1 1
211 1 1 1 1 13 ARG QB . 13 ARG QB 1 1
211 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
212 1 1 1 1 13 ARG QD . 13 ARG QD 1 1
212 1 2 1 1 14 THR H . 14 THR HN 1 1
213 1 1 1 1 13 ARG QD . 13 ARG QD 1 1
213 1 2 1 1 17 GLY H . 17 GLY HN 1 1
214 1 1 1 1 13 ARG QD . 13 ARG QD 1 1
214 1 2 1 1 17 GLY HA2 . 17 GLY HA1 1 1
215 1 1 1 1 13 ARG QD . 13 ARG QD 1 1
215 1 2 1 1 17 GLY HA3 . 17 GLY HA2 1 1
216 1 1 1 1 13 ARG QD . 13 ARG QD 1 1
216 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
217 1 1 1 1 13 ARG HD2 . 13 ARG HD2 1 1
217 1 2 1 1 17 GLY H . 17 GLY HN 1 1
218 1 1 1 1 13 ARG HD3 . 13 ARG HD3 1 1
218 1 2 1 1 17 GLY H . 17 GLY HN 1 1
219 1 1 1 1 13 ARG QG . 13 ARG QG 1 1
219 1 2 1 1 14 THR H . 14 THR HN 1 1
220 1 1 1 1 13 ARG QG . 13 ARG QG 1 1
220 1 2 1 1 17 GLY HA2 . 17 GLY HA1 1 1
221 1 1 1 1 13 ARG QG . 13 ARG QG 1 1
221 1 2 1 1 17 GLY HA3 . 17 GLY HA2 1 1
222 1 1 1 1 14 THR H . 14 THR HN 1 1
222 1 2 1 1 14 THR HB . 14 THR HB 1 1
223 1 1 1 1 14 THR H . 14 THR HN 1 1
223 1 2 1 1 14 THR MG . 14 THR QG2 1 1
224 1 1 1 1 14 THR H . 14 THR HN 1 1
224 1 2 1 1 17 GLY H . 17 GLY HN 1 1
225 1 1 1 1 14 THR H . 14 THR HN 1 1
225 1 2 1 1 17 GLY HA2 . 17 GLY HA1 1 1
226 1 1 1 1 14 THR H . 14 THR HN 1 1
226 1 2 1 1 18 ARG H . 18 ARG HN 1 1
227 1 1 1 1 14 THR H . 14 THR HN 1 1
227 1 2 1 1 18 ARG QG . 18 ARG QG 1 1
228 1 1 1 1 14 THR H . 14 THR HN 1 1
228 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
229 1 1 1 1 14 THR HA . 14 THR HA 1 1
229 1 2 1 1 15 ALA H . 15 ALA HN 1 1
230 1 1 1 1 14 THR HA . 14 THR HA 1 1
230 1 2 1 1 15 ALA MB . 15 ALA QB 1 1
231 1 1 1 1 14 THR HB . 14 THR HB 1 1
231 1 2 1 1 15 ALA H . 15 ALA HN 1 1
232 1 1 1 1 14 THR HB . 14 THR HB 1 1
232 1 2 1 1 15 ALA MB . 15 ALA QB 1 1
233 1 1 1 1 14 THR HB . 14 THR HB 1 1
233 1 2 1 1 16 ASP H . 16 ASP HN 1 1
234 1 1 1 1 14 THR HB . 14 THR HB 1 1
234 1 2 1 1 18 ARG QB . 18 ARG QB 1 1
235 1 1 1 1 14 THR MG . 14 THR QG2 1 1
235 1 2 1 1 15 ALA H . 15 ALA HN 1 1
236 1 1 1 1 14 THR MG . 14 THR QG2 1 1
236 1 2 1 1 16 ASP H . 16 ASP HN 1 1
237 1 1 1 1 14 THR MG . 14 THR QG2 1 1
237 1 2 1 1 17 GLY H . 17 GLY HN 1 1
238 1 1 1 1 14 THR MG . 14 THR QG2 1 1
238 1 2 1 1 18 ARG H . 18 ARG HN 1 1
239 1 1 1 1 14 THR MG . 14 THR QG2 1 1
239 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
240 1 1 1 1 14 THR MG . 14 THR QG2 1 1
240 1 2 1 1 19 CYS HA . 19 CYSS HA 1 1
241 1 1 1 1 14 THR MG . 14 THR QG2 1 1
241 1 2 1 1 20 LYS H . 20 LYS HN 1 1
242 1 1 1 1 14 THR MG . 14 THR QG2 1 1
242 1 2 1 1 20 LYS HB2 . 20 LYS HB2 1 1
243 1 1 1 1 14 THR MG . 14 THR QG2 1 1
243 1 2 1 1 20 LYS QB . 20 LYS QB 1 1
244 1 1 1 1 14 THR MG . 14 THR QG2 1 1
244 1 2 1 1 20 LYS HB3 . 20 LYS HB3 1 1
245 1 1 1 1 14 THR MG . 14 THR QG2 1 1
245 1 2 1 1 20 LYS QD . 20 LYS QD 1 1
246 1 1 1 1 14 THR MG . 14 THR QG2 1 1
246 1 2 1 1 20 LYS HE2 . 20 LYS HE2 1 1
247 1 1 1 1 14 THR MG . 14 THR QG2 1 1
247 1 2 1 1 20 LYS QE . 20 LYS QE 1 1
248 1 1 1 1 14 THR MG . 14 THR QG2 1 1
248 1 2 1 1 20 LYS HE3 . 20 LYS HE3 1 1
249 1 1 1 1 15 ALA H . 15 ALA HN 1 1
249 1 2 1 1 16 ASP H . 16 ASP HN 1 1
250 1 1 1 1 15 ALA HA . 15 ALA HA 1 1
250 1 2 1 1 16 ASP H . 16 ASP HN 1 1
251 1 1 1 1 15 ALA HA . 15 ALA HA 1 1
251 1 2 1 1 17 GLY H . 17 GLY HN 1 1
252 1 1 1 1 16 ASP H . 16 ASP HN 1 1
252 1 2 1 1 16 ASP HB2 . 16 ASP HB2 1 1
253 1 1 1 1 16 ASP H . 16 ASP HN 1 1
253 1 2 1 1 16 ASP QB . 16 ASP QB 1 1
254 1 1 1 1 16 ASP H . 16 ASP HN 1 1
254 1 2 1 1 16 ASP HB3 . 16 ASP HB3 1 1
255 1 1 1 1 16 ASP H . 16 ASP HN 1 1
255 1 2 1 1 17 GLY HA2 . 17 GLY HA1 1 1
256 1 1 1 1 16 ASP H . 16 ASP HN 1 1
256 1 2 1 1 17 GLY HA3 . 17 GLY HA2 1 1
257 1 1 1 1 16 ASP H . 16 ASP HN 1 1
257 1 2 1 1 18 ARG QB . 18 ARG QB 1 1
258 1 1 1 1 16 ASP HA . 16 ASP HA 1 1
258 1 2 1 1 18 ARG H . 18 ARG HN 1 1
259 1 1 1 1 16 ASP HB2 . 16 ASP HB2 1 1
259 1 2 1 1 17 GLY H . 17 GLY HN 1 1
260 1 1 1 1 16 ASP HB3 . 16 ASP HB3 1 1
260 1 2 1 1 17 GLY H . 17 GLY HN 1 1
261 1 1 1 1 17 GLY H . 17 GLY HN 1 1
261 1 2 1 1 18 ARG H . 18 ARG HN 1 1
262 1 1 1 1 17 GLY H . 17 GLY HN 1 1
262 1 2 1 1 18 ARG QB . 18 ARG QB 1 1
263 1 1 1 1 17 GLY H . 17 GLY HN 1 1
263 1 2 1 1 18 ARG QG . 18 ARG QG 1 1
264 1 1 1 1 18 ARG H . 18 ARG HN 1 1
264 1 2 1 1 18 ARG QB . 18 ARG QB 1 1
265 1 1 1 1 18 ARG H . 18 ARG HN 1 1
265 1 2 1 1 18 ARG HD2 . 18 ARG HD2 1 1
266 1 1 1 1 18 ARG H . 18 ARG HN 1 1
266 1 2 1 1 18 ARG HD3 . 18 ARG HD3 1 1
267 1 1 1 1 18 ARG H . 18 ARG HN 1 1
267 1 2 1 1 18 ARG HG2 . 18 ARG HG2 1 1
268 1 1 1 1 18 ARG H . 18 ARG HN 1 1
268 1 2 1 1 18 ARG QG . 18 ARG QG 1 1
269 1 1 1 1 18 ARG H . 18 ARG HN 1 1
269 1 2 1 1 18 ARG HG3 . 18 ARG HG3 1 1
270 1 1 1 1 18 ARG H . 18 ARG HN 1 1
270 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
271 1 1 1 1 18 ARG HA . 18 ARG HA 1 1
271 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
272 1 1 1 1 18 ARG HA . 18 ARG HA 1 1
272 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
273 1 1 1 1 18 ARG QB . 18 ARG QB 1 1
273 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
274 1 1 1 1 18 ARG QD . 18 ARG QD 1 1
274 1 2 1 1 20 LYS QE . 20 LYS QE 1 1
275 1 1 1 1 18 ARG QG . 18 ARG QG 1 1
275 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
276 1 1 1 1 18 ARG HG2 . 18 ARG HG2 1 1
276 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
277 1 1 1 1 18 ARG HG3 . 18 ARG HG3 1 1
277 1 2 1 1 19 CYS H . 19 CYSS HN 1 1
278 1 1 1 1 19 CYS H . 19 CYSS HN 1 1
278 1 2 1 1 19 CYS QB . 19 CYSS QB 1 1
279 1 1 1 1 19 CYS H . 19 CYSS HN 1 1
279 1 2 1 1 20 LYS H . 20 LYS HN 1 1
280 1 1 1 1 19 CYS HA . 19 CYSS HA 1 1
280 1 2 1 1 20 LYS H . 20 LYS HN 1 1
281 1 1 1 1 19 CYS QB . 19 CYSS QB 1 1
281 1 2 1 1 20 LYS H . 20 LYS HN 1 1
282 1 1 1 1 20 LYS H . 20 LYS HN 1 1
282 1 2 1 1 20 LYS HB2 . 20 LYS HB2 1 1
283 1 1 1 1 20 LYS H . 20 LYS HN 1 1
283 1 2 1 1 20 LYS HB3 . 20 LYS HB3 1 1
284 1 1 1 1 20 LYS H . 20 LYS HN 1 1
284 1 2 1 1 20 LYS HG2 . 20 LYS HG2 1 1
285 1 1 1 1 20 LYS H . 20 LYS HN 1 1
285 1 2 1 1 20 LYS QG . 20 LYS QG 1 1
286 1 1 1 1 20 LYS H . 20 LYS HN 1 1
286 1 2 1 1 20 LYS HG3 . 20 LYS HG3 1 1
287 1 1 1 1 20 LYS H . 20 LYS HN 1 1
287 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
288 1 1 1 1 20 LYS H . 20 LYS HN 1 1
288 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
289 1 1 1 1 20 LYS HA . 20 LYS HA 1 1
289 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
290 1 1 1 1 20 LYS HA . 20 LYS HA 1 1
290 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
291 1 1 1 1 20 LYS HA . 20 LYS HA 1 1
291 1 2 1 1 21 PRO QG . 21 PRO QG 1 1
292 1 1 1 1 20 LYS QB . 20 LYS QB 1 1
292 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
293 1 1 1 1 20 LYS QB . 20 LYS QB 1 1
293 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
294 1 1 1 1 20 LYS HB2 . 20 LYS HB2 1 1
294 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
295 1 1 1 1 20 LYS HB3 . 20 LYS HB3 1 1
295 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
296 1 1 1 1 20 LYS QD . 20 LYS QD 1 1
296 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
297 1 1 1 1 20 LYS QD . 20 LYS QD 1 1
297 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
298 1 1 1 1 20 LYS QE . 20 LYS QE 1 1
298 1 2 1 1 21 PRO QG . 21 PRO QG 1 1
299 1 1 1 1 20 LYS QG . 20 LYS QG 1 1
299 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
300 1 1 1 1 20 LYS QG . 20 LYS QG 1 1
300 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
301 1 1 1 1 20 LYS HG2 . 20 LYS HG2 1 1
301 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
302 1 1 1 1 20 LYS HG2 . 20 LYS HG2 1 1
302 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
303 1 1 1 1 20 LYS HG3 . 20 LYS HG3 1 1
303 1 2 1 1 21 PRO HD2 . 21 PRO HD2 1 1
304 1 1 1 1 20 LYS HG3 . 20 LYS HG3 1 1
304 1 2 1 1 21 PRO HD3 . 21 PRO HD3 1 1
305 1 1 1 1 21 PRO HA . 21 PRO HA 1 1
305 1 2 1 1 22 THR H . 22 THR HN 1 1
306 1 1 1 1 21 PRO HA . 21 PRO HA 1 1
306 1 2 1 1 22 THR MG . 22 THR QG2 1 1
307 1 1 1 1 21 PRO HA . 21 PRO HA 1 1
307 1 2 1 1 23 PHE H . 23 PHE HN 1 1
308 1 1 1 1 21 PRO HB2 . 21 PRO HB2 1 1
308 1 2 1 1 22 THR H . 22 THR HN 1 1
309 1 1 1 1 21 PRO HB2 . 21 PRO HB2 1 1
309 1 2 1 1 23 PHE H . 23 PHE HN 1 1
310 1 1 1 1 21 PRO HB3 . 21 PRO HB3 1 1
310 1 2 1 1 22 THR H . 22 THR HN 1 1
311 1 1 1 1 21 PRO HB3 . 21 PRO HB3 1 1
311 1 2 1 1 23 PHE H . 23 PHE HN 1 1
312 1 1 1 1 21 PRO HB3 . 21 PRO HB3 1 1
312 1 2 1 1 23 PHE QE . 23 PHE QE 1 1
313 1 1 1 1 21 PRO HD3 . 21 PRO HD3 1 1
313 1 2 1 1 23 PHE HZ . 23 PHE HZ 1 1
314 1 1 1 1 21 PRO QG . 21 PRO QG 1 1
314 1 2 1 1 23 PHE HE2 . 23 PHE HE2 1 1
315 1 1 1 1 22 THR H . 22 THR HN 1 1
315 1 2 1 1 22 THR HB . 22 THR HB 1 1
316 1 1 1 1 22 THR H . 22 THR HN 1 1
316 1 2 1 1 22 THR MG . 22 THR QG2 1 1
317 1 1 1 1 22 THR H . 22 THR HN 1 1
317 1 2 1 1 23 PHE H . 23 PHE HN 1 1
318 1 1 1 1 22 THR H . 22 THR HN 1 1
318 1 2 1 1 23 PHE QD . 23 PHE QD 1 1
319 1 1 1 1 22 THR HA . 22 THR HA 1 1
319 1 2 1 1 23 PHE H . 23 PHE HN 1 1
320 1 1 1 1 22 THR HA . 22 THR HA 1 1
320 1 2 1 1 23 PHE QD . 23 PHE QD 1 1
321 1 1 1 1 22 THR HB . 22 THR HB 1 1
321 1 2 1 1 23 PHE H . 23 PHE HN 1 1
322 1 1 1 1 22 THR MG . 22 THR QG2 1 1
322 1 2 1 1 23 PHE H . 23 PHE HN 1 1
323 1 1 1 1 22 THR MG . 22 THR QG2 1 1
323 1 2 1 1 23 PHE QD . 23 PHE QD 1 1
324 1 1 1 1 22 THR MG . 22 THR QG2 1 1
324 1 2 1 1 23 PHE QE . 23 PHE QE 1 1
325 1 1 1 1 23 PHE H . 23 PHE HN 1 1
325 1 2 1 1 23 PHE HB2 . 23 PHE HB2 1 1
326 1 1 1 1 23 PHE H . 23 PHE HN 1 1
326 1 2 1 1 23 PHE HB3 . 23 PHE HB3 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.01 1 1
2 1 . . . . . . . 3.85 1 1
3 1 . . . . . . . 4.13 1 1
4 1 . . . . . . . 4.13 1 1
5 1 . . . . . . . 3.37 1 1
6 1 . . . . . . . 3.13 1 1
7 1 . . . . . . . 3.37 1 1
8 1 . . . . . . . 8.12 1 1
9 1 . . . . . . . 8.12 1 1
10 1 . . . . . . . 8.12 1 1
11 1 . . . . . . . 8.12 1 1
12 1 . . . . . . . 2.87 1 1
13 1 . . . . . . . 3.59 1 1
14 1 . . . . . . . 3.41 1 1
15 1 . . . . . . . 3.59 1 1
16 1 . . . . . . . 3.34 1 1
17 1 . . . . . . . 5.15 1 1
18 1 . . . . . . . 4.42 1 1
19 1 . . . . . . . 3.26 1 1
20 1 . . . . . . . 4.49 1 1
21 1 . . . . . . . 5.47 1 1
22 1 . . . . . . . 6.95 1 1
23 1 . . . . . . . 6.61 1 1
24 1 . . . . . . . 6.87 1 1
25 1 . . . . . . . 6.69 1 1
26 1 . . . . . . . 2.94 1 1
27 1 . . . . . . . 4.72 1 1
28 1 . . . . . . . 3.04 1 1
29 1 . . . . . . . 6.37 1 1
30 1 . . . . . . . 3.55 1 1
31 1 . . . . . . . 3.55 1 1
32 1 . . . . . . . 2.98 1 1
33 1 . . . . . . . 4.74 1 1
34 1 . . . . . . . 3.72 1 1
35 1 . . . . . . . 3.62 1 1
36 1 . . . . . . . 3.39 1 1
37 1 . . . . . . . 3.62 1 1
38 1 . . . . . . . 2.8 1 1
39 1 . . . . . . . 4.06 1 1
40 1 . . . . . . . 6.08 1 1
41 1 . . . . . . . 3.3 1 1
42 1 . . . . . . . 4.57 1 1
43 1 . . . . . . . 4.01 1 1
44 1 . . . . . . . 4.35 1 1
45 1 . . . . . . . 8.0 1 1
46 1 . . . . . . . 6.88 1 1
47 1 . . . . . . . 6.88 1 1
48 1 . . . . . . . 5.27 1 1
49 1 . . . . . . . 6.88 1 1
50 1 . . . . . . . 3.62 1 1
51 1 . . . . . . . 4.92 1 1
52 1 . . . . . . . 4.6 1 1
53 1 . . . . . . . 4.81 1 1
54 1 . . . . . . . 8.14 1 1
55 1 . . . . . . . 6.64 1 1
56 1 . . . . . . . 6.64 1 1
57 1 . . . . . . . 3.62 1 1
58 1 . . . . . . . 4.92 1 1
59 1 . . . . . . . 4.6 1 1
60 1 . . . . . . . 4.81 1 1
61 1 . . . . . . . 8.14 1 1
62 1 . . . . . . . 6.64 1 1
63 1 . . . . . . . 6.64 1 1
64 1 . . . . . . . 2.0 1 1
65 1 . . . . . . . 3.05 1 1
66 1 . . . . . . . 3.05 1 1
67 1 . . . . . . . 5.73 1 1
68 1 . . . . . . . 5.73 1 1
69 1 . . . . . . . 4.27 1 1
70 1 . . . . . . . 4.09 1 1
71 1 . . . . . . . 3.8 1 1
72 1 . . . . . . . 4.42 1 1
73 1 . . . . . . . 8.14 1 1
74 1 . . . . . . . 6.01 1 1
75 1 . . . . . . . 3.8 1 1
76 1 . . . . . . . 2.67 1 1
77 1 . . . . . . . 3.51 1 1
78 1 . . . . . . . 7.44 1 1
79 1 . . . . . . . 7.65 1 1
80 1 . . . . . . . 3.88 1 1
81 1 . . . . . . . 8.14 1 1
82 1 . . . . . . . 7.81 1 1
83 1 . . . . . . . 3.88 1 1
84 1 . . . . . . . 8.14 1 1
85 1 . . . . . . . 7.81 1 1
86 1 . . . . . . . 5.47 1 1
87 1 . . . . . . . 6.13 1 1
88 1 . . . . . . . 9.17 1 1
89 1 . . . . . . . 9.16 1 1
90 1 . . . . . . . 6.13 1 1
91 1 . . . . . . . 9.17 1 1
92 1 . . . . . . . 9.16 1 1
93 1 . . . . . . . 3.34 1 1
94 1 . . . . . . . 7.49 1 1
95 1 . . . . . . . 7.74 1 1
96 1 . . . . . . . 2.47 1 1
97 1 . . . . . . . 3.57 1 1
98 1 . . . . . . . 4.16 1 1
99 1 . . . . . . . 8.14 1 1
100 1 . . . . . . . 3.16 1 1
101 1 . . . . . . . 4.13 1 1
102 1 . . . . . . . 7.51 1 1
103 1 . . . . . . . 6.88 1 1
104 1 . . . . . . . 9.17 1 1
105 1 . . . . . . . 9.16 1 1
106 1 . . . . . . . 3.19 1 1
107 1 . . . . . . . 8.14 1 1
108 1 . . . . . . . 6.7 1 1
109 1 . . . . . . . 7.9 1 1
110 1 . . . . . . . 9.0 1 1
111 1 . . . . . . . 3.34 1 1
112 1 . . . . . . . 3.77 1 1
113 1 . . . . . . . 6.88 1 1
114 1 . . . . . . . 4.92 1 1
115 1 . . . . . . . 7.03 1 1
116 1 . . . . . . . 2.9 1 1
117 1 . . . . . . . 6.44 1 1
118 1 . . . . . . . 2.94 1 1
119 1 . . . . . . . 6.0 1 1
120 1 . . . . . . . 3.23 1 1
121 1 . . . . . . . 6.42 1 1
122 1 . . . . . . . 3.95 1 1
123 1 . . . . . . . 4.38 1 1
124 1 . . . . . . . 4.18 1 1
125 1 . . . . . . . 4.38 1 1
126 1 . . . . . . . 6.0 1 1
127 1 . . . . . . . 4.54 1 1
128 1 . . . . . . . 5.78 1 1
129 1 . . . . . . . 6.0 1 1
130 1 . . . . . . . 6.0 1 1
131 1 . . . . . . . 8.12 1 1
132 1 . . . . . . . 8.14 1 1
133 1 . . . . . . . 8.14 1 1
134 1 . . . . . . . 6.84 1 1
135 1 . . . . . . . 6.57 1 1
136 1 . . . . . . . 6.84 1 1
137 1 . . . . . . . 8.14 1 1
138 1 . . . . . . . 6.27 1 1
139 1 . . . . . . . 7.17 1 1
140 1 . . . . . . . 8.14 1 1
141 1 . . . . . . . 7.2 1 1
142 1 . . . . . . . 8.14 1 1
143 1 . . . . . . . 8.14 1 1
144 1 . . . . . . . 8.14 1 1
145 1 . . . . . . . 8.13 1 1
146 1 . . . . . . . 7.96 1 1
147 1 . . . . . . . 8.13 1 1
148 1 . . . . . . . 7.77 1 1
149 1 . . . . . . . 7.63 1 1
150 1 . . . . . . . 7.66 1 1
151 1 . . . . . . . 6.37 1 1
152 1 . . . . . . . 8.13 1 1
153 1 . . . . . . . 7.43 1 1
154 1 . . . . . . . 8.13 1 1
155 1 . . . . . . . 10.25 1 1
156 1 . . . . . . . 3.98 1 1
157 1 . . . . . . . 3.76 1 1
158 1 . . . . . . . 3.98 1 1
159 1 . . . . . . . 4.32 1 1
160 1 . . . . . . . 4.56 1 1
161 1 . . . . . . . 4.31 1 1
162 1 . . . . . . . 6.0 1 1
163 1 . . . . . . . 5.69 1 1
164 1 . . . . . . . 6.0 1 1
165 1 . . . . . . . 3.34 1 1
166 1 . . . . . . . 3.91 1 1
167 1 . . . . . . . 4.2 1 1
168 1 . . . . . . . 5.7 1 1
169 1 . . . . . . . 2.58 1 1
170 1 . . . . . . . 6.88 1 1
171 1 . . . . . . . 4.7 1 1
172 1 . . . . . . . 7.03 1 1
173 1 . . . . . . . 3.41 1 1
174 1 . . . . . . . 6.88 1 1
175 1 . . . . . . . 5.41 1 1
176 1 . . . . . . . 3.66 1 1
177 1 . . . . . . . 5.59 1 1
178 1 . . . . . . . 3.66 1 1
179 1 . . . . . . . 5.59 1 1
180 1 . . . . . . . 7.03 1 1
181 1 . . . . . . . 6.42 1 1
182 1 . . . . . . . 7.88 1 1
183 1 . . . . . . . 7.03 1 1
184 1 . . . . . . . 6.56 1 1
185 1 . . . . . . . 7.95 1 1
186 1 . . . . . . . 5.54 1 1
187 1 . . . . . . . 7.22 1 1
188 1 . . . . . . . 6.7 1 1
189 1 . . . . . . . 6.59 1 1
190 1 . . . . . . . 5.72 1 1
191 1 . . . . . . . 6.42 1 1
192 1 . . . . . . . 5.86 1 1
193 1 . . . . . . . 6.0 1 1
194 1 . . . . . . . 7.03 1 1
195 1 . . . . . . . 5.86 1 1
196 1 . . . . . . . 6.0 1 1
197 1 . . . . . . . 7.03 1 1
198 1 . . . . . . . 3.82 1 1
199 1 . . . . . . . 6.01 1 1
200 1 . . . . . . . 4.24 1 1
201 1 . . . . . . . 4.61 1 1
202 1 . . . . . . . 2.65 1 1
203 1 . . . . . . . 6.6 1 1
204 1 . . . . . . . 3.98 1 1
205 1 . . . . . . . 6.73 1 1
206 1 . . . . . . . 3.77 1 1
207 1 . . . . . . . 4.97 1 1
208 1 . . . . . . . 4.46 1 1
209 1 . . . . . . . 5.22 1 1
210 1 . . . . . . . 5.72 1 1
211 1 . . . . . . . 6.88 1 1
212 1 . . . . . . . 5.29 1 1
213 1 . . . . . . . 5.77 1 1
214 1 . . . . . . . 5.0 1 1
215 1 . . . . . . . 6.16 1 1
216 1 . . . . . . . 6.88 1 1
217 1 . . . . . . . 6.0 1 1
218 1 . . . . . . . 6.0 1 1
219 1 . . . . . . . 6.41 1 1
220 1 . . . . . . . 6.88 1 1
221 1 . . . . . . . 6.88 1 1
222 1 . . . . . . . 3.44 1 1
223 1 . . . . . . . 4.36 1 1
224 1 . . . . . . . 4.56 1 1
225 1 . . . . . . . 4.74 1 1
226 1 . . . . . . . 3.7 1 1
227 1 . . . . . . . 6.88 1 1
228 1 . . . . . . . 3.84 1 1
229 1 . . . . . . . 2.98 1 1
230 1 . . . . . . . 5.73 1 1
231 1 . . . . . . . 3.01 1 1
232 1 . . . . . . . 5.52 1 1
233 1 . . . . . . . 3.34 1 1
234 1 . . . . . . . 6.59 1 1
235 1 . . . . . . . 5.66 1 1
236 1 . . . . . . . 6.56 1 1
237 1 . . . . . . . 7.03 1 1
238 1 . . . . . . . 6.34 1 1
239 1 . . . . . . . 7.03 1 1
240 1 . . . . . . . 6.88 1 1
241 1 . . . . . . . 5.84 1 1
242 1 . . . . . . . 5.23 1 1
243 1 . . . . . . . 5.05 1 1
244 1 . . . . . . . 5.23 1 1
245 1 . . . . . . . 5.74 1 1
246 1 . . . . . . . 7.03 1 1
247 1 . . . . . . . 6.92 1 1
248 1 . . . . . . . 7.03 1 1
249 1 . . . . . . . 3.3 1 1
250 1 . . . . . . . 3.59 1 1
251 1 . . . . . . . 3.98 1 1
252 1 . . . . . . . 3.59 1 1
253 1 . . . . . . . 3.35 1 1
254 1 . . . . . . . 3.59 1 1
255 1 . . . . . . . 4.27 1 1
256 1 . . . . . . . 4.49 1 1
257 1 . . . . . . . 5.65 1 1
258 1 . . . . . . . 4.45 1 1
259 1 . . . . . . . 4.6 1 1
260 1 . . . . . . . 4.6 1 1
261 1 . . . . . . . 3.19 1 1
262 1 . . . . . . . 5.18 1 1
263 1 . . . . . . . 5.94 1 1
264 1 . . . . . . . 3.58 1 1
265 1 . . . . . . . 6.0 1 1
266 1 . . . . . . . 6.0 1 1
267 1 . . . . . . . 4.52 1 1
268 1 . . . . . . . 4.21 1 1
269 1 . . . . . . . 4.52 1 1
270 1 . . . . . . . 4.34 1 1
271 1 . . . . . . . 2.72 1 1
272 1 . . . . . . . 5.18 1 1
273 1 . . . . . . . 3.89 1 1
274 1 . . . . . . . 6.67 1 1
275 1 . . . . . . . 5.63 1 1
276 1 . . . . . . . 6.0 1 1
277 1 . . . . . . . 6.0 1 1
278 1 . . . . . . . 3.5 1 1
279 1 . . . . . . . 4.38 1 1
280 1 . . . . . . . 2.72 1 1
281 1 . . . . . . . 4.5 1 1
282 1 . . . . . . . 3.44 1 1
283 1 . . . . . . . 3.44 1 1
284 1 . . . . . . . 5.5 1 1
285 1 . . . . . . . 5.11 1 1
286 1 . . . . . . . 5.5 1 1
287 1 . . . . . . . 6.0 1 1
288 1 . . . . . . . 6.0 1 1
289 1 . . . . . . . 3.26 1 1
290 1 . . . . . . . 3.16 1 1
291 1 . . . . . . . 5.79 1 1
292 1 . . . . . . . 4.35 1 1
293 1 . . . . . . . 6.16 1 1
294 1 . . . . . . . 4.52 1 1
295 1 . . . . . . . 4.52 1 1
296 1 . . . . . . . 6.59 1 1
297 1 . . . . . . . 6.88 1 1
298 1 . . . . . . . 7.21 1 1
299 1 . . . . . . . 5.2 1 1
300 1 . . . . . . . 5.79 1 1
301 1 . . . . . . . 5.57 1 1
302 1 . . . . . . . 6.0 1 1
303 1 . . . . . . . 5.57 1 1
304 1 . . . . . . . 6.0 1 1
305 1 . . . . . . . 2.69 1 1
306 1 . . . . . . . 6.24 1 1
307 1 . . . . . . . 4.24 1 1
308 1 . . . . . . . 3.77 1 1
309 1 . . . . . . . 3.91 1 1
310 1 . . . . . . . 3.7 1 1
311 1 . . . . . . . 5.21 1 1
312 1 . . . . . . . 8.12 1 1
313 1 . . . . . . . 6.0 1 1
314 1 . . . . . . . 6.88 1 1
315 1 . . . . . . . 3.8 1 1
316 1 . . . . . . . 4.62 1 1
317 1 . . . . . . . 3.3 1 1
318 1 . . . . . . . 8.12 1 1
319 1 . . . . . . . 3.16 1 1
320 1 . . . . . . . 8.12 1 1
321 1 . . . . . . . 3.8 1 1
322 1 . . . . . . . 6.67 1 1
323 1 . . . . . . . 9.15 1 1
324 1 . . . . . . . 9.15 1 1
325 1 . . . . . . . 3.91 1 1
326 1 . . . . . . . 3.91 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 GLU C C -5.008 -11.444 -1.872 1.00 . A A . 1 GLU C 1 1
1 2 1 1 1 GLU CA C -6.493 -11.810 -1.936 1.00 . A A . 1 GLU CA 1 1
1 3 1 1 1 GLU CB C -7.371 -10.593 -1.636 1.00 . A A . 1 GLU CB 1 1
1 4 1 1 1 GLU CD C -9.745 -9.751 -1.756 1.00 . A A . 1 GLU CD 1 1
1 5 1 1 1 GLU CG C -8.850 -10.982 -1.593 1.00 . A A . 1 GLU CG 1 1
1 6 1 1 1 GLU HA H -6.738 -12.190 -2.928 1.00 . A A . 1 GLU HA 1 1
1 7 1 1 1 GLU HB2 H -7.079 -10.157 -0.680 1.00 . A A . 1 GLU HB2 1 1
1 8 1 1 1 GLU HB3 H -7.214 -9.829 -2.397 1.00 . A A . 1 GLU HB3 1 1
1 9 1 1 1 GLU HG2 H -9.064 -11.699 -2.386 1.00 . A A . 1 GLU HG2 1 1
1 10 1 1 1 GLU HG3 H -9.073 -11.477 -0.648 1.00 . A A . 1 GLU HG3 1 1
1 11 1 1 1 GLU N N -6.783 -12.900 -1.022 1.00 . A A . 1 GLU N 1 1
1 12 1 1 1 GLU O O -4.563 -10.808 -0.917 1.00 . A A . 1 GLU O 1 1
1 13 1 1 1 GLU OE1 O -9.676 -8.878 -0.865 1.00 . A A . 1 GLU OE1 1 1
1 14 1 1 1 GLU OE2 O -10.478 -9.713 -2.768 1.00 . A A . 1 GLU OE2 1 1
1 15 1 1 2 ASN C C -2.633 -10.073 -2.885 1.00 . A A . 2 ASN C 1 1
1 16 1 1 2 ASN CA C -2.859 -11.584 -2.972 1.00 . A A . 2 ASN CA 1 1
1 17 1 1 2 ASN CB C -2.269 -12.074 -4.296 1.00 . A A . 2 ASN CB 1 1
1 18 1 1 2 ASN CG C -2.811 -13.459 -4.659 1.00 . A A . 2 ASN CG 1 1
1 19 1 1 2 ASN H H -4.654 -12.378 -3.672 1.00 . A A . 2 ASN H 1 1
1 20 1 1 2 ASN HA H -2.420 -12.121 -2.132 1.00 . A A . 2 ASN HA 1 1
1 21 1 1 2 ASN HB2 H -2.510 -11.366 -5.090 1.00 . A A . 2 ASN HB2 1 1
1 22 1 1 2 ASN HB3 H -1.183 -12.113 -4.222 1.00 . A A . 2 ASN HB3 1 1
1 23 1 1 2 ASN HD21 H -1.885 -14.198 -3.017 1.00 . A A . 2 ASN HD21 1 1
1 24 1 1 2 ASN HD22 H -2.762 -15.357 -3.960 1.00 . A A . 2 ASN HD22 1 1
1 25 1 1 2 ASN N N -4.284 -11.861 -2.899 1.00 . A A . 2 ASN N 1 1
1 26 1 1 2 ASN ND2 N -2.457 -14.418 -3.808 1.00 . A A . 2 ASN ND2 1 1
1 27 1 1 2 ASN O O -3.574 -9.293 -3.016 1.00 . A A . 2 ASN O 1 1
1 28 1 1 2 ASN OD1 O -3.505 -13.643 -5.645 1.00 . A A . 2 ASN OD1 1 1
1 29 1 1 3 PHE C C -0.304 -7.823 -3.822 1.00 . A A . 3 PHE C 1 1
1 30 1 1 3 PHE CA C -1.017 -8.304 -2.556 1.00 . A A . 3 PHE CA 1 1
1 31 1 1 3 PHE CB C -0.061 -8.178 -1.368 1.00 . A A . 3 PHE CB 1 1
1 32 1 1 3 PHE CD1 C 0.686 -10.463 -0.665 1.00 . A A . 3 PHE CD1 1 1
1 33 1 1 3 PHE CD2 C 2.213 -9.113 -1.847 1.00 . A A . 3 PHE CD2 1 1
1 34 1 1 3 PHE CE1 C 1.656 -11.497 -0.592 1.00 . A A . 3 PHE CE1 1 1
1 35 1 1 3 PHE CE2 C 3.183 -10.148 -1.775 1.00 . A A . 3 PHE CE2 1 1
1 36 1 1 3 PHE CG C 0.984 -9.292 -1.290 1.00 . A A . 3 PHE CG 1 1
1 37 1 1 3 PHE CZ C 2.884 -11.318 -1.148 1.00 . A A . 3 PHE CZ 1 1
1 38 1 1 3 PHE H H -0.619 -10.348 -2.559 1.00 . A A . 3 PHE H 1 1
1 39 1 1 3 PHE HA H -1.941 -7.740 -2.425 1.00 . A A . 3 PHE HA 1 1
1 40 1 1 3 PHE HB2 H 0.451 -7.218 -1.427 1.00 . A A . 3 PHE HB2 1 1
1 41 1 1 3 PHE HB3 H -0.642 -8.174 -0.446 1.00 . A A . 3 PHE HB3 1 1
1 42 1 1 3 PHE HD1 H -0.298 -10.607 -0.219 1.00 . A A . 3 PHE HD1 1 1
1 43 1 1 3 PHE HD2 H 2.452 -8.176 -2.348 1.00 . A A . 3 PHE HD2 1 1
1 44 1 1 3 PHE HE1 H 1.417 -12.435 -0.090 1.00 . A A . 3 PHE HE1 1 1
1 45 1 1 3 PHE HE2 H 4.167 -10.004 -2.221 1.00 . A A . 3 PHE HE2 1 1
1 46 1 1 3 PHE HZ H 3.629 -12.111 -1.093 1.00 . A A . 3 PHE HZ 1 1
1 47 1 1 3 PHE N N -1.379 -9.707 -2.664 1.00 . A A . 3 PHE N 1 1
1 48 1 1 3 PHE O O 0.309 -8.618 -4.533 1.00 . A A . 3 PHE O 1 1
1 49 1 1 4 ASN C C 1.503 -5.215 -4.808 1.00 . A A . 4 ASN C 1 1
1 50 1 1 4 ASN CA C 0.217 -5.929 -5.233 1.00 . A A . 4 ASN CA 1 1
1 51 1 1 4 ASN CB C -0.704 -4.896 -5.884 1.00 . A A . 4 ASN CB 1 1
1 52 1 1 4 ASN CG C -1.253 -3.917 -4.843 1.00 . A A . 4 ASN CG 1 1
1 53 1 1 4 ASN H H -0.910 -5.885 -3.482 1.00 . A A . 4 ASN H 1 1
1 54 1 1 4 ASN HA H 0.406 -6.760 -5.912 1.00 . A A . 4 ASN HA 1 1
1 55 1 1 4 ASN HB2 H -0.156 -4.347 -6.651 1.00 . A A . 4 ASN HB2 1 1
1 56 1 1 4 ASN HB3 H -1.529 -5.403 -6.384 1.00 . A A . 4 ASN HB3 1 1
1 57 1 1 4 ASN HD21 H -2.802 -5.185 -4.539 1.00 . A A . 4 ASN HD21 1 1
1 58 1 1 4 ASN HD22 H -2.825 -3.743 -3.581 1.00 . A A . 4 ASN HD22 1 1
1 59 1 1 4 ASN N N -0.409 -6.525 -4.065 1.00 . A A . 4 ASN N 1 1
1 60 1 1 4 ASN ND2 N -2.388 -4.315 -4.274 1.00 . A A . 4 ASN ND2 1 1
1 61 1 1 4 ASN O O 1.725 -4.061 -5.170 1.00 . A A . 4 ASN O 1 1
1 62 1 1 4 ASN OD1 O -0.686 -2.871 -4.577 1.00 . A A . 4 ASN OD1 1 1
1 63 1 1 5 GLY C C 3.772 -5.681 -2.081 1.00 . A A . 5 GLY C 1 1
1 64 1 1 5 GLY CA C 3.573 -5.383 -3.569 1.00 . A A . 5 GLY CA 1 1
1 65 1 1 5 GLY H H 2.127 -6.871 -3.756 1.00 . A A . 5 GLY H 1 1
1 66 1 1 5 GLY HA2 H 4.399 -5.804 -4.142 1.00 . A A . 5 GLY HA2 1 1
1 67 1 1 5 GLY HA3 H 3.588 -4.305 -3.732 1.00 . A A . 5 GLY HA3 1 1
1 68 1 1 5 GLY N N 2.316 -5.932 -4.046 1.00 . A A . 5 GLY N 1 1
1 69 1 1 5 GLY O O 4.903 -5.828 -1.620 1.00 . A A . 5 GLY O 1 1
1 70 1 1 6 GLY C C 1.801 -5.068 0.826 1.00 . A A . 6 GLY C 1 1
1 71 1 1 6 GLY CA C 2.693 -6.042 0.053 1.00 . A A . 6 GLY CA 1 1
1 72 1 1 6 GLY H H 1.740 -5.643 -1.755 1.00 . A A . 6 GLY H 1 1
1 73 1 1 6 GLY HA2 H 2.365 -7.065 0.236 1.00 . A A . 6 GLY HA2 1 1
1 74 1 1 6 GLY HA3 H 3.719 -5.967 0.415 1.00 . A A . 6 GLY HA3 1 1
1 75 1 1 6 GLY N N 2.655 -5.763 -1.372 1.00 . A A . 6 GLY N 1 1
1 76 1 1 6 GLY O O 2.196 -4.556 1.873 1.00 . A A . 6 GLY O 1 1
1 77 1 1 7 CYS C C -1.552 -4.755 1.351 1.00 . A A . 7 CYS C 1 1
1 78 1 1 7 CYS CA C -0.337 -3.939 0.906 1.00 . A A . 7 CYS CA 1 1
1 79 1 1 7 CYS CB C -0.729 -2.795 -0.031 1.00 . A A . 7 CYS CB 1 1
1 80 1 1 7 CYS H H 0.302 -5.263 -0.571 1.00 . A A . 7 CYS H 1 1
1 81 1 1 7 CYS HA H 0.169 -3.497 1.764 1.00 . A A . 7 CYS HA 1 1
1 82 1 1 7 CYS HB2 H -0.926 -3.205 -1.021 1.00 . A A . 7 CYS HB2 1 1
1 83 1 1 7 CYS HB3 H -1.663 -2.358 0.324 1.00 . A A . 7 CYS HB3 1 1
1 84 1 1 7 CYS N N 0.615 -4.842 0.280 1.00 . A A . 7 CYS N 1 1
1 85 1 1 7 CYS O O -1.571 -5.977 1.207 1.00 . A A . 7 CYS O 1 1
1 86 1 1 7 CYS SG S 0.520 -1.465 -0.184 1.00 . A A . 7 CYS SG 1 1
1 87 1 1 8 LEU C C -4.745 -4.799 1.190 1.00 . A A . 8 LEU C 1 1
1 88 1 1 8 LEU CA C -3.753 -4.690 2.349 1.00 . A A . 8 LEU CA 1 1
1 89 1 1 8 LEU CB C -4.313 -3.956 3.569 1.00 . A A . 8 LEU CB 1 1
1 90 1 1 8 LEU CD1 C -5.720 -5.953 4.196 1.00 . A A . 8 LEU CD1 1 1
1 91 1 1 8 LEU CD2 C -6.056 -3.734 5.379 1.00 . A A . 8 LEU CD2 1 1
1 92 1 1 8 LEU CG C -5.680 -4.428 4.068 1.00 . A A . 8 LEU CG 1 1
1 93 1 1 8 LEU H H -2.513 -3.054 1.996 1.00 . A A . 8 LEU H 1 1
1 94 1 1 8 LEU HA H -3.487 -5.696 2.673 1.00 . A A . 8 LEU HA 1 1
1 95 1 1 8 LEU HB2 H -3.598 -4.052 4.387 1.00 . A A . 8 LEU HB2 1 1
1 96 1 1 8 LEU HB3 H -4.383 -2.894 3.330 1.00 . A A . 8 LEU HB3 1 1
1 97 1 1 8 LEU HD11 H -4.709 -6.332 4.342 1.00 . A A . 8 LEU HD11 1 1
1 98 1 1 8 LEU HD12 H -6.339 -6.230 5.048 1.00 . A A . 8 LEU HD12 1 1
1 99 1 1 8 LEU HD13 H -6.141 -6.382 3.286 1.00 . A A . 8 LEU HD13 1 1
1 100 1 1 8 LEU HD21 H -6.062 -2.654 5.229 1.00 . A A . 8 LEU HD21 1 1
1 101 1 1 8 LEU HD22 H -7.047 -4.062 5.692 1.00 . A A . 8 LEU HD22 1 1
1 102 1 1 8 LEU HD23 H -5.327 -3.990 6.147 1.00 . A A . 8 LEU HD23 1 1
1 103 1 1 8 LEU HG H -6.430 -4.147 3.329 1.00 . A A . 8 LEU HG 1 1
1 104 1 1 8 LEU N N -2.537 -4.046 1.883 1.00 . A A . 8 LEU N 1 1
1 105 1 1 8 LEU O O -5.212 -5.891 0.868 1.00 . A A . 8 LEU O 1 1
1 106 1 1 9 ALA C C -6.463 -2.171 -0.708 1.00 . A A . 9 ALA C 1 1
1 107 1 1 9 ALA CA C -5.965 -3.606 -0.524 1.00 . A A . 9 ALA CA 1 1
1 108 1 1 9 ALA CB C -7.108 -4.594 -0.280 1.00 . A A . 9 ALA CB 1 1
1 109 1 1 9 ALA H H -4.653 -2.770 0.860 1.00 . A A . 9 ALA H 1 1
1 110 1 1 9 ALA HA H -5.423 -3.911 -1.419 1.00 . A A . 9 ALA HA 1 1
1 111 1 1 9 ALA HB1 H -7.210 -4.774 0.790 1.00 . A A . 9 ALA HB1 1 1
1 112 1 1 9 ALA HB2 H -8.037 -4.177 -0.668 1.00 . A A . 9 ALA HB2 1 1
1 113 1 1 9 ALA HB3 H -6.892 -5.533 -0.789 1.00 . A A . 9 ALA HB3 1 1
1 114 1 1 9 ALA N N -5.038 -3.653 0.593 1.00 . A A . 9 ALA N 1 1
1 115 1 1 9 ALA O O -7.416 -1.752 -0.052 1.00 . A A . 9 ALA O 1 1
1 116 1 1 10 GLY C C -4.969 0.856 -1.668 1.00 . A A . 10 GLY C 1 1
1 117 1 1 10 GLY CA C -6.160 -0.078 -1.882 1.00 . A A . 10 GLY CA 1 1
1 118 1 1 10 GLY H H -5.024 -1.805 -2.133 1.00 . A A . 10 GLY H 1 1
1 119 1 1 10 GLY HA2 H -6.515 0.007 -2.909 1.00 . A A . 10 GLY HA2 1 1
1 120 1 1 10 GLY HA3 H -6.983 0.222 -1.234 1.00 . A A . 10 GLY HA3 1 1
1 121 1 1 10 GLY N N -5.797 -1.457 -1.604 1.00 . A A . 10 GLY N 1 1
1 122 1 1 10 GLY O O -4.770 1.800 -2.432 1.00 . A A . 10 GLY O 1 1
1 123 1 1 11 TYR C C -2.069 1.425 -1.485 1.00 . A A . 11 TYR C 1 1
1 124 1 1 11 TYR CA C -3.038 1.364 -0.302 1.00 . A A . 11 TYR CA 1 1
1 125 1 1 11 TYR CB C -2.351 0.656 0.868 1.00 . A A . 11 TYR CB 1 1
1 126 1 1 11 TYR CD1 C -3.119 1.809 2.975 1.00 . A A . 11 TYR CD1 1 1
1 127 1 1 11 TYR CD2 C -3.910 -0.406 2.542 1.00 . A A . 11 TYR CD2 1 1
1 128 1 1 11 TYR CE1 C -3.875 1.838 4.201 1.00 . A A . 11 TYR CE1 1 1
1 129 1 1 11 TYR CE2 C -4.665 -0.376 3.767 1.00 . A A . 11 TYR CE2 1 1
1 130 1 1 11 TYR CG C -3.153 0.688 2.170 1.00 . A A . 11 TYR CG 1 1
1 131 1 1 11 TYR CZ C -4.610 0.744 4.537 1.00 . A A . 11 TYR CZ 1 1
1 132 1 1 11 TYR H H -4.373 -0.208 -0.010 1.00 . A A . 11 TYR H 1 1
1 133 1 1 11 TYR HA H -3.378 2.372 -0.068 1.00 . A A . 11 TYR HA 1 1
1 134 1 1 11 TYR HB2 H -2.165 -0.382 0.593 1.00 . A A . 11 TYR HB2 1 1
1 135 1 1 11 TYR HB3 H -1.380 1.120 1.040 1.00 . A A . 11 TYR HB3 1 1
1 136 1 1 11 TYR HD1 H -2.522 2.672 2.683 1.00 . A A . 11 TYR HD1 1 1
1 137 1 1 11 TYR HD2 H -3.937 -1.291 1.906 1.00 . A A . 11 TYR HD2 1 1
1 138 1 1 11 TYR HE1 H -3.857 2.717 4.846 1.00 . A A . 11 TYR HE1 1 1
1 139 1 1 11 TYR HE2 H -5.267 -1.232 4.072 1.00 . A A . 11 TYR HE2 1 1
1 140 1 1 11 TYR HH H -6.230 0.380 5.547 1.00 . A A . 11 TYR HH 1 1
1 141 1 1 11 TYR N N -4.205 0.561 -0.626 1.00 . A A . 11 TYR N 1 1
1 142 1 1 11 TYR O O -2.062 0.533 -2.333 1.00 . A A . 11 TYR O 1 1
1 143 1 1 11 TYR OH O -5.323 0.772 5.694 1.00 . A A . 11 TYR OH 1 1
1 144 1 1 12 MET C C 1.123 2.501 -2.046 1.00 . A A . 12 MET C 1 1
1 145 1 1 12 MET CA C -0.304 2.673 -2.568 1.00 . A A . 12 MET CA 1 1
1 146 1 1 12 MET CB C -0.464 4.074 -3.164 1.00 . A A . 12 MET CB 1 1
1 147 1 1 12 MET CE C 0.002 7.593 -1.135 1.00 . A A . 12 MET CE 1 1
1 148 1 1 12 MET CG C -0.686 5.115 -2.064 1.00 . A A . 12 MET CG 1 1
1 149 1 1 12 MET H H -1.287 3.206 -0.811 1.00 . A A . 12 MET H 1 1
1 150 1 1 12 MET HA H -0.524 1.902 -3.306 1.00 . A A . 12 MET HA 1 1
1 151 1 1 12 MET HB2 H 0.424 4.332 -3.739 1.00 . A A . 12 MET HB2 1 1
1 152 1 1 12 MET HB3 H -1.307 4.085 -3.856 1.00 . A A . 12 MET HB3 1 1
1 153 1 1 12 MET HE1 H 0.810 7.098 -0.597 1.00 . A A . 12 MET HE1 1 1
1 154 1 1 12 MET HE2 H 0.278 8.627 -1.337 1.00 . A A . 12 MET HE2 1 1
1 155 1 1 12 MET HE3 H -0.904 7.571 -0.529 1.00 . A A . 12 MET HE3 1 1
1 156 1 1 12 MET HG2 H -1.723 5.084 -1.727 1.00 . A A . 12 MET HG2 1 1
1 157 1 1 12 MET HG3 H -0.064 4.882 -1.200 1.00 . A A . 12 MET HG3 1 1
1 158 1 1 12 MET N N -1.274 2.484 -1.504 1.00 . A A . 12 MET N 1 1
1 159 1 1 12 MET O O 1.364 2.597 -0.843 1.00 . A A . 12 MET O 1 1
1 160 1 1 12 MET SD S -0.293 6.744 -2.677 1.00 . A A . 12 MET SD 1 1
1 161 1 1 13 ARG C C 4.206 3.368 -2.816 1.00 . A A . 13 ARG C 1 1
1 162 1 1 13 ARG CA C 3.431 2.062 -2.623 1.00 . A A . 13 ARG CA 1 1
1 163 1 1 13 ARG CB C 4.072 0.967 -3.477 1.00 . A A . 13 ARG CB 1 1
1 164 1 1 13 ARG CD C 5.490 -0.868 -2.485 1.00 . A A . 13 ARG CD 1 1
1 165 1 1 13 ARG CG C 4.064 -0.376 -2.742 1.00 . A A . 13 ARG CG 1 1
1 166 1 1 13 ARG CZ C 6.844 -2.737 -3.423 1.00 . A A . 13 ARG CZ 1 1
1 167 1 1 13 ARG H H 1.830 2.173 -3.952 1.00 . A A . 13 ARG H 1 1
1 168 1 1 13 ARG HA H 3.417 1.765 -1.575 1.00 . A A . 13 ARG HA 1 1
1 169 1 1 13 ARG HB2 H 3.533 0.873 -4.419 1.00 . A A . 13 ARG HB2 1 1
1 170 1 1 13 ARG HB3 H 5.097 1.245 -3.723 1.00 . A A . 13 ARG HB3 1 1
1 171 1 1 13 ARG HD2 H 6.207 -0.184 -2.938 1.00 . A A . 13 ARG HD2 1 1
1 172 1 1 13 ARG HD3 H 5.692 -0.879 -1.414 1.00 . A A . 13 ARG HD3 1 1
1 173 1 1 13 ARG HE H 4.851 -2.800 -3.148 1.00 . A A . 13 ARG HE 1 1
1 174 1 1 13 ARG HG2 H 3.535 -0.272 -1.794 1.00 . A A . 13 ARG HG2 1 1
1 175 1 1 13 ARG HG3 H 3.521 -1.114 -3.331 1.00 . A A . 13 ARG HG3 1 1
1 176 1 1 13 ARG HH11 H 7.913 -1.079 -2.932 1.00 . A A . 13 ARG HH11 1 1
1 177 1 1 13 ARG HH12 H 8.841 -2.387 -3.587 1.00 . A A . 13 ARG HH12 1 1
1 178 1 1 13 ARG HH21 H 6.075 -4.526 -4.011 1.00 . A A . 13 ARG HH21 1 1
1 179 1 1 13 ARG HH22 H 7.788 -4.360 -4.204 1.00 . A A . 13 ARG HH22 1 1
1 180 1 1 13 ARG N N 2.034 2.250 -2.975 1.00 . A A . 13 ARG N 1 1
1 181 1 1 13 ARG NE N 5.665 -2.226 -3.045 1.00 . A A . 13 ARG NE 1 1
1 182 1 1 13 ARG NH1 N 7.960 -2.006 -3.304 1.00 . A A . 13 ARG NH1 1 1
1 183 1 1 13 ARG NH2 N 6.908 -3.980 -3.922 1.00 . A A . 13 ARG NH2 1 1
1 184 1 1 13 ARG O O 4.527 3.742 -3.943 1.00 . A A . 13 ARG O 1 1
1 185 1 1 14 THR C C 6.596 5.077 -2.357 1.00 . A A . 14 THR C 1 1
1 186 1 1 14 THR CA C 5.215 5.280 -1.731 1.00 . A A . 14 THR CA 1 1
1 187 1 1 14 THR CB C 5.269 5.832 -0.305 1.00 . A A . 14 THR CB 1 1
1 188 1 1 14 THR CG2 C 3.877 6.038 0.297 1.00 . A A . 14 THR CG2 1 1
1 189 1 1 14 THR H H 4.218 3.713 -0.786 1.00 . A A . 14 THR H 1 1
1 190 1 1 14 THR HA H 4.673 5.976 -2.370 1.00 . A A . 14 THR HA 1 1
1 191 1 1 14 THR HB H 5.851 6.752 -0.265 1.00 . A A . 14 THR HB 1 1
1 192 1 1 14 THR HG1 H 6.483 5.122 1.119 1.00 . A A . 14 THR HG1 1 1
1 193 1 1 14 THR HG21 H 3.257 5.167 0.085 1.00 . A A . 14 THR HG21 1 1
1 194 1 1 14 THR HG22 H 3.964 6.169 1.376 1.00 . A A . 14 THR HG22 1 1
1 195 1 1 14 THR HG23 H 3.420 6.925 -0.141 1.00 . A A . 14 THR HG23 1 1
1 196 1 1 14 THR N N 4.484 4.025 -1.700 1.00 . A A . 14 THR N 1 1
1 197 1 1 14 THR O O 6.845 4.061 -3.005 1.00 . A A . 14 THR O 1 1
1 198 1 1 14 THR OG1 O 5.823 4.764 0.459 1.00 . A A . 14 THR OG1 1 1
1 199 1 1 15 ALA C C 9.705 5.235 -1.705 1.00 . A A . 15 ALA C 1 1
1 200 1 1 15 ALA CA C 8.806 6.002 -2.678 1.00 . A A . 15 ALA CA 1 1
1 201 1 1 15 ALA CB C 9.313 7.422 -2.942 1.00 . A A . 15 ALA CB 1 1
1 202 1 1 15 ALA H H 7.247 6.882 -1.615 1.00 . A A . 15 ALA H 1 1
1 203 1 1 15 ALA HA H 8.765 5.462 -3.624 1.00 . A A . 15 ALA HA 1 1
1 204 1 1 15 ALA HB1 H 8.664 8.139 -2.437 1.00 . A A . 15 ALA HB1 1 1
1 205 1 1 15 ALA HB2 H 10.330 7.522 -2.562 1.00 . A A . 15 ALA HB2 1 1
1 206 1 1 15 ALA HB3 H 9.304 7.617 -4.014 1.00 . A A . 15 ALA HB3 1 1
1 207 1 1 15 ALA N N 7.457 6.060 -2.143 1.00 . A A . 15 ALA N 1 1
1 208 1 1 15 ALA O O 10.891 5.046 -1.968 1.00 . A A . 15 ALA O 1 1
1 209 1 1 16 ASP C C 9.241 2.667 0.534 1.00 . A A . 16 ASP C 1 1
1 210 1 1 16 ASP CA C 9.833 4.071 0.411 1.00 . A A . 16 ASP CA 1 1
1 211 1 1 16 ASP CB C 9.726 4.751 1.777 1.00 . A A . 16 ASP CB 1 1
1 212 1 1 16 ASP CG C 11.055 5.213 2.377 1.00 . A A . 16 ASP CG 1 1
1 213 1 1 16 ASP H H 8.138 4.972 -0.396 1.00 . A A . 16 ASP H 1 1
1 214 1 1 16 ASP HA H 10.868 4.059 0.068 1.00 . A A . 16 ASP HA 1 1
1 215 1 1 16 ASP HB2 H 9.066 5.615 1.686 1.00 . A A . 16 ASP HB2 1 1
1 216 1 1 16 ASP HB3 H 9.250 4.061 2.474 1.00 . A A . 16 ASP HB3 1 1
1 217 1 1 16 ASP N N 9.103 4.814 -0.602 1.00 . A A . 16 ASP N 1 1
1 218 1 1 16 ASP O O 9.829 1.795 1.172 1.00 . A A . 16 ASP O 1 1
1 219 1 1 16 ASP OD1 O 12.099 4.756 1.864 1.00 . A A . 16 ASP OD1 1 1
1 220 1 1 16 ASP OD2 O 10.998 6.013 3.337 1.00 . A A . 16 ASP OD2 1 1
1 221 1 1 17 GLY C C 6.312 1.190 1.017 1.00 . A A . 17 GLY C 1 1
1 222 1 1 17 GLY CA C 7.404 1.207 -0.055 1.00 . A A . 17 GLY CA 1 1
1 223 1 1 17 GLY H H 7.612 3.206 -0.603 1.00 . A A . 17 GLY H 1 1
1 224 1 1 17 GLY HA2 H 6.965 1.000 -1.030 1.00 . A A . 17 GLY HA2 1 1
1 225 1 1 17 GLY HA3 H 8.126 0.415 0.145 1.00 . A A . 17 GLY HA3 1 1
1 226 1 1 17 GLY N N 8.083 2.491 -0.087 1.00 . A A . 17 GLY N 1 1
1 227 1 1 17 GLY O O 5.608 0.194 1.176 1.00 . A A . 17 GLY O 1 1
1 228 1 1 18 ARG C C 3.803 2.425 2.180 1.00 . A A . 18 ARG C 1 1
1 229 1 1 18 ARG CA C 5.212 2.431 2.777 1.00 . A A . 18 ARG CA 1 1
1 230 1 1 18 ARG CB C 5.414 3.722 3.574 1.00 . A A . 18 ARG CB 1 1
1 231 1 1 18 ARG CD C 7.087 4.732 5.170 1.00 . A A . 18 ARG CD 1 1
1 232 1 1 18 ARG CG C 6.898 3.962 3.861 1.00 . A A . 18 ARG CG 1 1
1 233 1 1 18 ARG CZ C 8.897 4.758 6.881 1.00 . A A . 18 ARG CZ 1 1
1 234 1 1 18 ARG H H 6.783 3.111 1.590 1.00 . A A . 18 ARG H 1 1
1 235 1 1 18 ARG HA H 5.372 1.563 3.417 1.00 . A A . 18 ARG HA 1 1
1 236 1 1 18 ARG HB2 H 5.006 4.565 3.018 1.00 . A A . 18 ARG HB2 1 1
1 237 1 1 18 ARG HB3 H 4.864 3.663 4.514 1.00 . A A . 18 ARG HB3 1 1
1 238 1 1 18 ARG HD2 H 7.341 5.770 4.957 1.00 . A A . 18 ARG HD2 1 1
1 239 1 1 18 ARG HD3 H 6.154 4.741 5.733 1.00 . A A . 18 ARG HD3 1 1
1 240 1 1 18 ARG HE H 8.341 3.132 5.835 1.00 . A A . 18 ARG HE 1 1
1 241 1 1 18 ARG HG2 H 7.421 3.008 3.917 1.00 . A A . 18 ARG HG2 1 1
1 242 1 1 18 ARG HG3 H 7.344 4.522 3.038 1.00 . A A . 18 ARG HG3 1 1
1 243 1 1 18 ARG HH11 H 7.976 6.549 6.591 1.00 . A A . 18 ARG HH11 1 1
1 244 1 1 18 ARG HH12 H 9.238 6.551 7.779 1.00 . A A . 18 ARG HH12 1 1
1 245 1 1 18 ARG HH21 H 10.005 3.133 7.401 1.00 . A A . 18 ARG HH21 1 1
1 246 1 1 18 ARG HH22 H 10.399 4.596 8.243 1.00 . A A . 18 ARG HH22 1 1
1 247 1 1 18 ARG N N 6.206 2.305 1.726 1.00 . A A . 18 ARG N 1 1
1 248 1 1 18 ARG NE N 8.158 4.104 5.976 1.00 . A A . 18 ARG NE 1 1
1 249 1 1 18 ARG NH1 N 8.686 6.063 7.102 1.00 . A A . 18 ARG NH1 1 1
1 250 1 1 18 ARG NH2 N 9.847 4.108 7.566 1.00 . A A . 18 ARG NH2 1 1
1 251 1 1 18 ARG O O 3.396 3.387 1.532 1.00 . A A . 18 ARG O 1 1
1 252 1 1 19 CYS C C 0.896 2.324 2.480 1.00 . A A . 19 CYS C 1 1
1 253 1 1 19 CYS CA C 1.744 1.183 1.914 1.00 . A A . 19 CYS CA 1 1
1 254 1 1 19 CYS CB C 1.157 -0.187 2.254 1.00 . A A . 19 CYS CB 1 1
1 255 1 1 19 CYS H H 3.438 0.550 2.948 1.00 . A A . 19 CYS H 1 1
1 256 1 1 19 CYS HA H 1.806 1.250 0.828 1.00 . A A . 19 CYS HA 1 1
1 257 1 1 19 CYS HB2 H 1.254 -0.354 3.326 1.00 . A A . 19 CYS HB2 1 1
1 258 1 1 19 CYS HB3 H 0.090 -0.176 2.029 1.00 . A A . 19 CYS HB3 1 1
1 259 1 1 19 CYS N N 3.098 1.329 2.420 1.00 . A A . 19 CYS N 1 1
1 260 1 1 19 CYS O O 0.377 2.225 3.591 1.00 . A A . 19 CYS O 1 1
1 261 1 1 19 CYS SG S 1.927 -1.593 1.370 1.00 . A A . 19 CYS SG 1 1
1 262 1 1 20 LYS C C -1.405 4.437 1.510 1.00 . A A . 20 LYS C 1 1
1 263 1 1 20 LYS CA C 0.004 4.540 2.099 1.00 . A A . 20 LYS CA 1 1
1 264 1 1 20 LYS CB C 0.733 5.832 1.725 1.00 . A A . 20 LYS CB 1 1
1 265 1 1 20 LYS CD C 1.849 7.914 2.609 1.00 . A A . 20 LYS CD 1 1
1 266 1 1 20 LYS CE C 2.280 8.678 3.863 1.00 . A A . 20 LYS CE 1 1
1 267 1 1 20 LYS CG C 1.212 6.572 2.977 1.00 . A A . 20 LYS CG 1 1
1 268 1 1 20 LYS H H 1.205 3.454 0.788 1.00 . A A . 20 LYS H 1 1
1 269 1 1 20 LYS HA H -0.073 4.515 3.186 1.00 . A A . 20 LYS HA 1 1
1 270 1 1 20 LYS HB2 H 1.585 5.602 1.085 1.00 . A A . 20 LYS HB2 1 1
1 271 1 1 20 LYS HB3 H 0.068 6.476 1.151 1.00 . A A . 20 LYS HB3 1 1
1 272 1 1 20 LYS HD2 H 2.713 7.747 1.966 1.00 . A A . 20 LYS HD2 1 1
1 273 1 1 20 LYS HD3 H 1.138 8.514 2.040 1.00 . A A . 20 LYS HD3 1 1
1 274 1 1 20 LYS HE2 H 1.622 8.423 4.695 1.00 . A A . 20 LYS HE2 1 1
1 275 1 1 20 LYS HE3 H 3.287 8.378 4.151 1.00 . A A . 20 LYS HE3 1 1
1 276 1 1 20 LYS HG2 H 0.372 6.737 3.651 1.00 . A A . 20 LYS HG2 1 1
1 277 1 1 20 LYS HG3 H 1.936 5.957 3.512 1.00 . A A . 20 LYS HG3 1 1
1 278 1 1 20 LYS HZ1 H 1.702 10.324 2.799 1.00 . A A . 20 LYS HZ1 1 1
1 279 1 1 20 LYS HZ2 H 1.820 10.594 4.405 1.00 . A A . 20 LYS HZ2 1 1
1 280 1 1 20 LYS HZ3 H 3.171 10.479 3.494 1.00 . A A . 20 LYS HZ3 1 1
1 281 1 1 20 LYS N N 0.781 3.382 1.690 1.00 . A A . 20 LYS N 1 1
1 282 1 1 20 LYS NZ N 2.240 10.137 3.621 1.00 . A A . 20 LYS NZ 1 1
1 283 1 1 20 LYS O O -1.687 3.541 0.717 1.00 . A A . 20 LYS O 1 1
1 284 1 1 21 PRO C C -3.720 5.938 0.020 1.00 . A A . 21 PRO C 1 1
1 285 1 1 21 PRO CA C -3.648 5.418 1.458 1.00 . A A . 21 PRO CA 1 1
1 286 1 1 21 PRO CB C -4.391 6.299 2.447 1.00 . A A . 21 PRO CB 1 1
1 287 1 1 21 PRO CD C -1.978 6.470 2.872 1.00 . A A . 21 PRO CD 1 1
1 288 1 1 21 PRO CG C -3.325 7.107 3.168 1.00 . A A . 21 PRO CG 1 1
1 289 1 1 21 PRO HA H -4.024 4.491 1.432 1.00 . A A . 21 PRO HA 1 1
1 290 1 1 21 PRO HB2 H -5.097 6.954 1.934 1.00 . A A . 21 PRO HB2 1 1
1 291 1 1 21 PRO HB3 H -4.968 5.698 3.150 1.00 . A A . 21 PRO HB3 1 1
1 292 1 1 21 PRO HD2 H -1.284 7.192 2.440 1.00 . A A . 21 PRO HD2 1 1
1 293 1 1 21 PRO HD3 H -1.512 6.086 3.780 1.00 . A A . 21 PRO HD3 1 1
1 294 1 1 21 PRO HG2 H -3.339 8.145 2.832 1.00 . A A . 21 PRO HG2 1 1
1 295 1 1 21 PRO HG3 H -3.515 7.118 4.241 1.00 . A A . 21 PRO HG3 1 1
1 296 1 1 21 PRO N N -2.276 5.392 1.934 1.00 . A A . 21 PRO N 1 1
1 297 1 1 21 PRO O O -2.967 6.834 -0.358 1.00 . A A . 21 PRO O 1 1
1 298 1 1 22 THR C C -6.153 6.470 -2.308 1.00 . A A . 22 THR C 1 1
1 299 1 1 22 THR CA C -4.816 5.750 -2.128 1.00 . A A . 22 THR CA 1 1
1 300 1 1 22 THR CB C -4.680 4.498 -2.996 1.00 . A A . 22 THR CB 1 1
1 301 1 1 22 THR CG2 C -4.346 4.829 -4.452 1.00 . A A . 22 THR CG2 1 1
1 302 1 1 22 THR H H -5.245 4.628 -0.425 1.00 . A A . 22 THR H 1 1
1 303 1 1 22 THR HA H -4.032 6.461 -2.388 1.00 . A A . 22 THR HA 1 1
1 304 1 1 22 THR HB H -5.575 3.880 -2.933 1.00 . A A . 22 THR HB 1 1
1 305 1 1 22 THR HG1 H -3.274 3.074 -3.079 1.00 . A A . 22 THR HG1 1 1
1 306 1 1 22 THR HG21 H -3.465 5.470 -4.487 1.00 . A A . 22 THR HG21 1 1
1 307 1 1 22 THR HG22 H -4.146 3.907 -4.999 1.00 . A A . 22 THR HG22 1 1
1 308 1 1 22 THR HG23 H -5.190 5.346 -4.909 1.00 . A A . 22 THR HG23 1 1
1 309 1 1 22 THR N N -4.636 5.356 -0.741 1.00 . A A . 22 THR N 1 1
1 310 1 1 22 THR O O -6.560 6.762 -3.431 1.00 . A A . 22 THR O 1 1
1 311 1 1 22 THR OG1 O -3.501 3.863 -2.507 1.00 . A A . 22 THR OG1 1 1
1 312 1 1 23 PHE C C -7.967 8.826 -0.616 1.00 . A A . 23 PHE C 1 1
1 313 1 1 23 PHE CA C -8.085 7.418 -1.201 1.00 . A A . 23 PHE CA 1 1
1 314 1 1 23 PHE CB C -9.040 6.596 -0.333 1.00 . A A . 23 PHE CB 1 1
1 315 1 1 23 PHE CD1 C -8.522 6.964 2.089 1.00 . A A . 23 PHE CD1 1 1
1 316 1 1 23 PHE CD2 C -7.826 4.942 1.101 1.00 . A A . 23 PHE CD2 1 1
1 317 1 1 23 PHE CE1 C -7.964 6.551 3.329 1.00 . A A . 23 PHE CE1 1 1
1 318 1 1 23 PHE CE2 C -7.268 4.529 2.341 1.00 . A A . 23 PHE CE2 1 1
1 319 1 1 23 PHE CG C -8.440 6.150 1.002 1.00 . A A . 23 PHE CG 1 1
1 320 1 1 23 PHE CZ C -7.350 5.342 3.428 1.00 . A A . 23 PHE CZ 1 1
1 321 1 1 23 PHE H H -6.464 6.497 -0.272 1.00 . A A . 23 PHE H 1 1
1 322 1 1 23 PHE HA H -8.400 7.484 -2.243 1.00 . A A . 23 PHE HA 1 1
1 323 1 1 23 PHE HB2 H -9.936 7.185 -0.139 1.00 . A A . 23 PHE HB2 1 1
1 324 1 1 23 PHE HB3 H -9.354 5.714 -0.892 1.00 . A A . 23 PHE HB3 1 1
1 325 1 1 23 PHE HD1 H -9.015 7.933 2.009 1.00 . A A . 23 PHE HD1 1 1
1 326 1 1 23 PHE HD2 H -7.760 4.290 0.230 1.00 . A A . 23 PHE HD2 1 1
1 327 1 1 23 PHE HE1 H -8.030 7.203 4.200 1.00 . A A . 23 PHE HE1 1 1
1 328 1 1 23 PHE HE2 H -6.775 3.560 2.420 1.00 . A A . 23 PHE HE2 1 1
1 329 1 1 23 PHE HZ H -6.922 5.024 4.379 1.00 . A A . 23 PHE HZ 1 1
1 330 1 1 23 PHE N N -6.802 6.737 -1.183 1.00 . A A . 23 PHE N 1 1
1 331 1 1 23 PHE O O -7.790 9.796 -1.353 1.00 . A A . 23 PHE O 1 1
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