NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
394352 |
1r7e   |
5978 | cing | 4-filtered-FRED | STAR | entry | full | 261 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1r7e
# This FRED archive file contains, for PDB entry <1r7e>:
#
# - 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_1r7e
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1r7e
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3766.39
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 $Genome_polyprotein A . 1 1
stop_
save_
save_Genome_polyprotein
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Genome polyprotein"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code SGSWLRDIWDWICEVLSDFKTWLKAKLMPQL
_Entity.Number_of_monomers 31
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 SER . 1 1
2 GLY . 1 1
3 SER . 1 1
4 TRP . 1 1
5 LEU . 1 1
6 ARG . 1 1
7 ASP . 1 1
8 ILE . 1 1
9 TRP . 1 1
10 ASP . 1 1
11 TRP . 1 1
12 ILE . 1 1
13 CYS . 1 1
14 GLU . 1 1
15 VAL . 1 1
16 LEU . 1 1
17 SER . 1 1
18 ASP . 1 1
19 PHE . 1 1
20 LYS . 1 1
21 THR . 1 1
22 TRP . 1 1
23 LEU . 1 1
24 LYS . 1 1
25 ALA . 1 1
26 LYS . 1 1
27 LEU . 1 1
28 MET . 1 1
29 PRO . 1 1
30 GLN . 1 1
31 LEU . 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
SER 1 1 1 1
GLY 2 2 1 1
SER 3 3 1 1
TRP 4 4 1 1
LEU 5 5 1 1
ARG 6 6 1 1
ASP 7 7 1 1
ILE 8 8 1 1
TRP 9 9 1 1
ASP 10 10 1 1
TRP 11 11 1 1
ILE 12 12 1 1
CYS 13 13 1 1
GLU 14 14 1 1
VAL 15 15 1 1
LEU 16 16 1 1
SER 17 17 1 1
ASP 18 18 1 1
PHE 19 19 1 1
LYS 20 20 1 1
THR 21 21 1 1
TRP 22 22 1 1
LEU 23 23 1 1
LYS 24 24 1 1
ALA 25 25 1 1
LYS 26 26 1 1
LEU 27 27 1 1
MET 28 28 1 1
PRO 29 29 1 1
GLN 30 30 1 1
LEU 31 31 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
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257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 3 SER H . 3 . HN 1 1
1 1 2 1 1 3 SER HA . 3 . HA 1 1
2 1 1 1 1 3 SER H . 3 . HN 1 1
2 1 2 1 1 3 SER HB2 . 3 . HB2 1 1
3 1 1 1 1 3 SER H . 3 . HN 1 1
3 1 2 1 1 3 SER HB3 . 3 . HB1 1 1
4 1 1 1 1 3 SER H . 3 . HN 1 1
4 1 2 1 1 4 TRP H . 4 . HN 1 1
5 1 1 1 1 3 SER HA . 3 . HA 1 1
5 1 2 1 1 3 SER HB2 . 3 . HB2 1 1
6 1 1 1 1 3 SER HA . 3 . HA 1 1
6 1 2 1 1 3 SER HB3 . 3 . HB1 1 1
7 1 1 1 1 3 SER HB2 . 3 . HB2 1 1
7 1 2 1 1 4 TRP H . 4 . HN 1 1
8 1 1 1 1 3 SER HB3 . 3 . HB1 1 1
8 1 2 1 1 4 TRP H . 4 . HN 1 1
9 1 1 1 1 4 TRP H . 4 . HN 1 1
9 1 2 1 1 4 TRP HA . 4 . HA 1 1
10 1 1 1 1 4 TRP H . 4 . HN 1 1
10 1 2 1 1 4 TRP HB2 . 4 . HB2 1 1
11 1 1 1 1 4 TRP H . 4 . HN 1 1
11 1 2 1 1 4 TRP HB3 . 4 . HB1 1 1
12 1 1 1 1 4 TRP H . 4 . HN 1 1
12 1 2 1 1 5 LEU H . 5 . HN 1 1
13 1 1 1 1 4 TRP HA . 4 . HA 1 1
13 1 2 1 1 4 TRP HB2 . 4 . HB2 1 1
14 1 1 1 1 4 TRP HA . 4 . HA 1 1
14 1 2 1 1 4 TRP HB3 . 4 . HB1 1 1
15 1 1 1 1 4 TRP HA . 4 . HA 1 1
15 1 2 1 1 5 LEU H . 5 . HN 1 1
16 1 1 1 1 4 TRP HA . 4 . HA 1 1
16 1 2 1 1 6 ARG H . 6 . HN 1 1
17 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
17 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
18 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
18 1 2 1 1 5 LEU H . 5 . HN 1 1
19 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
19 1 2 1 1 6 ARG H . 6 . HN 1 1
20 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
20 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
21 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
21 1 2 1 1 5 LEU H . 5 . HN 1 1
22 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
22 1 2 1 1 6 ARG H . 6 . HN 1 1
23 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
23 1 2 1 1 5 LEU HA . 5 . HA 1 1
24 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
24 1 2 1 1 5 LEU QB . 5 . HB# 1 1
25 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
25 1 2 1 1 8 ILE QG . 8 . HG11 1 1
26 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
26 1 2 1 1 8 ILE MG . 8 . HG2# 1 1
27 1 1 1 1 5 LEU H . 5 . HN 1 1
27 1 2 1 1 5 LEU HA . 5 . HA 1 1
28 1 1 1 1 5 LEU H . 5 . HN 1 1
28 1 2 1 1 5 LEU MD1 . 5 . HD1# 1 1
29 1 1 1 1 5 LEU H . 5 . HN 1 1
29 1 2 1 1 5 LEU MD2 . 5 . HD2# 1 1
30 1 1 1 1 5 LEU HA . 5 . HA 1 1
30 1 2 1 1 5 LEU MD2 . 5 . HD2# 1 1
31 1 1 1 1 5 LEU HA . 5 . HA 1 1
31 1 2 1 1 6 ARG H . 6 . HN 1 1
32 1 1 1 1 5 LEU HA . 5 . HA 1 1
32 1 2 1 1 8 ILE H . 8 . HN 1 1
33 1 1 1 1 5 LEU HA . 5 . HA 1 1
33 1 2 1 1 8 ILE HB . 8 . HB 1 1
34 1 1 1 1 5 LEU QB . 5 . HB# 1 1
34 1 2 1 1 6 ARG H . 6 . HN 1 1
35 1 1 1 1 5 LEU MD1 . 5 . HD1# 1 1
35 1 2 1 1 6 ARG H . 6 . HN 1 1
36 1 1 1 1 5 LEU MD2 . 5 . HD2# 1 1
36 1 2 1 1 6 ARG H . 6 . HN 1 1
37 1 1 1 1 6 ARG H . 6 . HN 1 1
37 1 2 1 1 6 ARG HB2 . 6 . HB2 1 1
38 1 1 1 1 6 ARG H . 6 . HN 1 1
38 1 2 1 1 6 ARG HB3 . 6 . HB1 1 1
39 1 1 1 1 6 ARG H . 6 . HN 1 1
39 1 2 1 1 6 ARG QG . 6 . HG# 1 1
40 1 1 1 1 6 ARG H . 6 . HN 1 1
40 1 2 1 1 7 ASP H . 7 . HN 1 1
41 1 1 1 1 6 ARG HA . 6 . HA 1 1
41 1 2 1 1 7 ASP H . 7 . HN 1 1
42 1 1 1 1 6 ARG HA . 6 . HA 1 1
42 1 2 1 1 9 TRP QB . 9 . HB# 1 1
43 1 1 1 1 6 ARG HA . 6 . HA 1 1
43 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1
44 1 1 1 1 6 ARG HB2 . 6 . HB2 1 1
44 1 2 1 1 7 ASP H . 7 . HN 1 1
45 1 1 1 1 6 ARG HB3 . 6 . HB1 1 1
45 1 2 1 1 7 ASP H . 7 . HN 1 1
46 1 1 1 1 7 ASP H . 7 . HN 1 1
46 1 2 1 1 7 ASP HA . 7 . HA 1 1
47 1 1 1 1 7 ASP H . 7 . HN 1 1
47 1 2 1 1 7 ASP HB2 . 7 . HB2 1 1
48 1 1 1 1 7 ASP H . 7 . HN 1 1
48 1 2 1 1 7 ASP HB3 . 7 . HB1 1 1
49 1 1 1 1 7 ASP HA . 7 . HA 1 1
49 1 2 1 1 7 ASP HB2 . 7 . HB2 1 1
50 1 1 1 1 7 ASP HA . 7 . HA 1 1
50 1 2 1 1 7 ASP HB3 . 7 . HB1 1 1
51 1 1 1 1 7 ASP HA . 7 . HA 1 1
51 1 2 1 1 9 TRP H . 9 . HN 1 1
52 1 1 1 1 7 ASP HA . 7 . HA 1 1
52 1 2 1 1 10 ASP H . 10 . HN 1 1
53 1 1 1 1 7 ASP HA . 7 . HA 1 1
53 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1
54 1 1 1 1 7 ASP HA . 7 . HA 1 1
54 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1
55 1 1 1 1 7 ASP HB3 . 7 . HB1 1 1
55 1 2 1 1 8 ILE H . 8 . HN 1 1
56 1 1 1 1 8 ILE H . 8 . HN 1 1
56 1 2 1 1 8 ILE HB . 8 . HB 1 1
57 1 1 1 1 8 ILE H . 8 . HN 1 1
57 1 2 1 1 8 ILE QG . 8 . HG11 1 1
58 1 1 1 1 8 ILE H . 8 . HN 1 1
58 1 2 1 1 9 TRP H . 9 . HN 1 1
59 1 1 1 1 8 ILE HA . 8 . HA 1 1
59 1 2 1 1 9 TRP H . 9 . HN 1 1
60 1 1 1 1 8 ILE HA . 8 . HA 1 1
60 1 2 1 1 10 ASP H . 10 . HN 1 1
61 1 1 1 1 8 ILE HA . 8 . HA 1 1
61 1 2 1 1 11 TRP H . 11 . HN 1 1
62 1 1 1 1 8 ILE HA . 8 . HA 1 1
62 1 2 1 1 11 TRP QB . 11 . HB1 1 1
63 1 1 1 1 8 ILE HB . 8 . HB 1 1
63 1 2 1 1 9 TRP H . 9 . HN 1 1
64 1 1 1 1 8 ILE QG . 8 . HG11 1 1
64 1 2 1 1 9 TRP HA . 9 . HA 1 1
65 1 1 1 1 8 ILE QG . 8 . HG12 1 1
65 1 2 1 1 11 TRP HD1 . 11 . HD1# 1 1
66 1 1 1 1 8 ILE MG . 8 . HG2# 1 1
66 1 2 1 1 9 TRP H . 9 . HN 1 1
67 1 1 1 1 8 ILE MG . 8 . HG2# 1 1
67 1 2 1 1 9 TRP HA . 9 . HA 1 1
68 1 1 1 1 9 TRP H . 9 . HN 1 1
68 1 2 1 1 9 TRP QB . 9 . HB# 1 1
69 1 1 1 1 9 TRP H . 9 . HN 1 1
69 1 2 1 1 10 ASP H . 10 . HN 1 1
70 1 1 1 1 9 TRP HA . 9 . HA 1 1
70 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1
71 1 1 1 1 9 TRP HA . 9 . HA 1 1
71 1 2 1 1 10 ASP H . 10 . HN 1 1
72 1 1 1 1 9 TRP HA . 9 . HA 1 1
72 1 2 1 1 12 ILE H . 12 . HN 1 1
73 1 1 1 1 9 TRP HA . 9 . HA 1 1
73 1 2 1 1 12 ILE HB . 12 . HB 1 1
74 1 1 1 1 9 TRP QB . 9 . HB# 1 1
74 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1
75 1 1 1 1 9 TRP QB . 9 . HB# 1 1
75 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1
76 1 1 1 1 9 TRP QB . 9 . HB# 1 1
76 1 2 1 1 10 ASP H . 10 . HN 1 1
77 1 1 1 1 9 TRP QB . 9 . HB# 1 1
77 1 2 1 1 12 ILE H . 12 . HN 1 1
78 1 1 1 1 10 ASP H . 10 . HN 1 1
78 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1
79 1 1 1 1 10 ASP H . 10 . HN 1 1
79 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1
80 1 1 1 1 10 ASP H . 10 . HN 1 1
80 1 2 1 1 11 TRP H . 11 . HN 1 1
81 1 1 1 1 10 ASP HA . 10 . HA 1 1
81 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1
82 1 1 1 1 10 ASP HA . 10 . HA 1 1
82 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1
83 1 1 1 1 10 ASP HA . 10 . HA 1 1
83 1 2 1 1 11 TRP H . 11 . HN 1 1
84 1 1 1 1 10 ASP HA . 10 . HA 1 1
84 1 2 1 1 13 CYS H . 13 . HN 1 1
85 1 1 1 1 10 ASP HA . 10 . HA 1 1
85 1 2 1 1 13 CYS QB . 13 . HB1 1 1
86 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1
86 1 2 1 1 11 TRP H . 11 . HN 1 1
87 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1
87 1 2 1 1 11 TRP H . 11 . HN 1 1
88 1 1 1 1 11 TRP H . 11 . HN 1 1
88 1 2 1 1 11 TRP QB . 11 . HB1 1 1
89 1 1 1 1 11 TRP H . 11 . HN 1 1
89 1 2 1 1 12 ILE H . 12 . HN 1 1
90 1 1 1 1 11 TRP HA . 11 . HA 1 1
90 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1
91 1 1 1 1 11 TRP HA . 11 . HA 1 1
91 1 2 1 1 12 ILE H . 12 . HN 1 1
92 1 1 1 1 11 TRP HA . 11 . HA 1 1
92 1 2 1 1 14 GLU H . 14 . HN 1 1
93 1 1 1 1 11 TRP HA . 11 . HA 1 1
93 1 2 1 1 14 GLU HB3 . 14 . HB1 1 1
94 1 1 1 1 11 TRP QB . 11 . HB1 1 1
94 1 2 1 1 12 ILE H . 12 . HN 1 1
95 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
95 1 2 1 1 12 ILE HA . 12 . HA 1 1
96 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
96 1 2 1 1 12 ILE HB . 12 . HB 1 1
97 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
97 1 2 1 1 12 ILE HG13 . 12 . HG11 1 1
98 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
98 1 2 1 1 12 ILE MG . 12 . HG2# 1 1
99 1 1 1 1 11 TRP HZ3 . 11 . HZ3 1 1
99 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
100 1 1 1 1 12 ILE H . 12 . HN 1 1
100 1 2 1 1 12 ILE HA . 12 . HA 1 1
101 1 1 1 1 12 ILE H . 12 . HN 1 1
101 1 2 1 1 12 ILE HB . 12 . HB 1 1
102 1 1 1 1 12 ILE H . 12 . HN 1 1
102 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
103 1 1 1 1 12 ILE H . 12 . HN 1 1
103 1 2 1 1 12 ILE QG . 12 . HG1# 1 1
104 1 1 1 1 12 ILE H . 12 . HN 1 1
104 1 2 1 1 12 ILE MG . 12 . HG2# 1 1
105 1 1 1 1 12 ILE H . 12 . HN 1 1
105 1 2 1 1 13 CYS H . 13 . HN 1 1
106 1 1 1 1 12 ILE HA . 12 . HA 1 1
106 1 2 1 1 12 ILE HB . 12 . HB 1 1
107 1 1 1 1 12 ILE HA . 12 . HA 1 1
107 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
108 1 1 1 1 12 ILE HA . 12 . HA 1 1
108 1 2 1 1 12 ILE QG . 12 . HG1# 1 1
109 1 1 1 1 12 ILE HA . 12 . HA 1 1
109 1 2 1 1 13 CYS H . 13 . HN 1 1
110 1 1 1 1 12 ILE HA . 12 . HA 1 1
110 1 2 1 1 15 VAL H . 15 . HN 1 1
111 1 1 1 1 12 ILE HA . 12 . HA 1 1
111 1 2 1 1 15 VAL HB . 15 . HB 1 1
112 1 1 1 1 12 ILE HA . 12 . HA 1 1
112 1 2 1 1 15 VAL MG1 . 15 . HG1# 1 1
113 1 1 1 1 12 ILE HA . 12 . HA 1 1
113 1 2 1 1 15 VAL MG2 . 15 . HG2# 1 1
114 1 1 1 1 12 ILE HA . 12 . HA 1 1
114 1 2 1 1 16 LEU H . 16 . HN 1 1
115 1 1 1 1 12 ILE HB . 12 . HB 1 1
115 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
116 1 1 1 1 12 ILE HB . 12 . HB 1 1
116 1 2 1 1 13 CYS H . 13 . HN 1 1
117 1 1 1 1 12 ILE MD . 12 . HD# 1 1
117 1 2 1 1 13 CYS HA . 13 . HA 1 1
118 1 1 1 1 13 CYS H . 13 . HN 1 1
118 1 2 1 1 13 CYS HA . 13 . HA 1 1
119 1 1 1 1 13 CYS H . 13 . HN 1 1
119 1 2 1 1 13 CYS QB . 13 . HB1 1 1
120 1 1 1 1 13 CYS H . 13 . HN 1 1
120 1 2 1 1 14 GLU H . 14 . HN 1 1
121 1 1 1 1 13 CYS HA . 13 . HA 1 1
121 1 2 1 1 14 GLU H . 14 . HN 1 1
122 1 1 1 1 13 CYS HA . 13 . HA 1 1
122 1 2 1 1 16 LEU H . 16 . HN 1 1
123 1 1 1 1 13 CYS HA . 13 . HA 1 1
123 1 2 1 1 16 LEU HB2 . 16 . HB2 1 1
124 1 1 1 1 13 CYS HA . 13 . HA 1 1
124 1 2 1 1 16 LEU HB3 . 16 . HB1 1 1
125 1 1 1 1 13 CYS QB . 13 . HB1 1 1
125 1 2 1 1 14 GLU H . 14 . HN 1 1
126 1 1 1 1 14 GLU H . 14 . HN 1 1
126 1 2 1 1 14 GLU HB2 . 14 . HB2 1 1
127 1 1 1 1 14 GLU H . 14 . HN 1 1
127 1 2 1 1 14 GLU HB3 . 14 . HB1 1 1
128 1 1 1 1 14 GLU H . 14 . HN 1 1
128 1 2 1 1 15 VAL H . 15 . HN 1 1
129 1 1 1 1 14 GLU HA . 14 . HA 1 1
129 1 2 1 1 15 VAL H . 15 . HN 1 1
130 1 1 1 1 14 GLU HA . 14 . HA 1 1
130 1 2 1 1 16 LEU H . 16 . HN 1 1
131 1 1 1 1 14 GLU HA . 14 . HA 1 1
131 1 2 1 1 17 SER H . 17 . HN 1 1
132 1 1 1 1 14 GLU HB2 . 14 . HB2 1 1
132 1 2 1 1 15 VAL H . 15 . HN 1 1
133 1 1 1 1 14 GLU HB3 . 14 . HB1 1 1
133 1 2 1 1 15 VAL H . 15 . HN 1 1
134 1 1 1 1 14 GLU QG . 14 . HG# 1 1
134 1 2 1 1 15 VAL H . 15 . HN 1 1
135 1 1 1 1 15 VAL H . 15 . HN 1 1
135 1 2 1 1 15 VAL HB . 15 . HB 1 1
136 1 1 1 1 15 VAL H . 15 . HN 1 1
136 1 2 1 1 15 VAL MG1 . 15 . HG1# 1 1
137 1 1 1 1 15 VAL H . 15 . HN 1 1
137 1 2 1 1 15 VAL MG2 . 15 . HG2# 1 1
138 1 1 1 1 15 VAL H . 15 . HN 1 1
138 1 2 1 1 16 LEU H . 16 . HN 1 1
139 1 1 1 1 15 VAL HA . 15 . HA 1 1
139 1 2 1 1 16 LEU H . 16 . HN 1 1
140 1 1 1 1 15 VAL HA . 15 . HA 1 1
140 1 2 1 1 18 ASP QB . 18 . HB# 1 1
141 1 1 1 1 15 VAL MG1 . 15 . HG1# 1 1
141 1 2 1 1 16 LEU H . 16 . HN 1 1
142 1 1 1 1 15 VAL MG2 . 15 . HG2# 1 1
142 1 2 1 1 16 LEU H . 16 . HN 1 1
143 1 1 1 1 16 LEU H . 16 . HN 1 1
143 1 2 1 1 16 LEU MD1 . 16 . HD1# 1 1
144 1 1 1 1 16 LEU H . 16 . HN 1 1
144 1 2 1 1 16 LEU MD2 . 16 . HD2# 1 1
145 1 1 1 1 16 LEU H . 16 . HN 1 1
145 1 2 1 1 17 SER H . 17 . HN 1 1
146 1 1 1 1 16 LEU HA . 16 . HA 1 1
146 1 2 1 1 16 LEU MD1 . 16 . HD1# 1 1
147 1 1 1 1 16 LEU HA . 16 . HA 1 1
147 1 2 1 1 16 LEU MD2 . 16 . HD2# 1 1
148 1 1 1 1 16 LEU HA . 16 . HA 1 1
148 1 2 1 1 19 PHE HB2 . 19 . HB2 1 1
149 1 1 1 1 16 LEU HA . 16 . HA 1 1
149 1 2 1 1 19 PHE HB3 . 19 . HB1 1 1
150 1 1 1 1 17 SER H . 17 . HN 1 1
150 1 2 1 1 17 SER HA . 17 . HA 1 1
151 1 1 1 1 17 SER H . 17 . HN 1 1
151 1 2 1 1 17 SER QB . 17 . HB# 1 1
152 1 1 1 1 17 SER HA . 17 . HA 1 1
152 1 2 1 1 20 LYS H . 20 . HN 1 1
153 1 1 1 1 17 SER HA . 17 . HA 1 1
153 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1
154 1 1 1 1 18 ASP HA . 18 . HA 1 1
154 1 2 1 1 21 THR H . 21 . HN 1 1
155 1 1 1 1 18 ASP HA . 18 . HA 1 1
155 1 2 1 1 21 THR HB . 21 . HB 1 1
156 1 1 1 1 18 ASP HA . 18 . HA 1 1
156 1 2 1 1 21 THR HG1 . 21 . HG# 1 1
156 1 2 1 1 21 THR MG . 21 . HG# 1 1
157 1 1 1 1 19 PHE H . 19 . HN 1 1
157 1 2 1 1 20 LYS H . 20 . HN 1 1
158 1 1 1 1 19 PHE HA . 19 . HA 1 1
158 1 2 1 1 19 PHE QD . 19 . HD# 1 1
159 1 1 1 1 19 PHE HA . 19 . HA 1 1
159 1 2 1 1 20 LYS H . 20 . HN 1 1
160 1 1 1 1 19 PHE HA . 19 . HA 1 1
160 1 2 1 1 22 TRP QB . 22 . HB# 1 1
161 1 1 1 1 19 PHE QB . 19 . HB# 1 1
161 1 2 1 1 19 PHE QD . 19 . HD# 1 1
162 1 1 1 1 19 PHE QB . 19 . HB# 1 1
162 1 2 1 1 20 LYS H . 20 . HN 1 1
163 1 1 1 1 20 LYS H . 20 . HN 1 1
163 1 2 1 1 20 LYS HA . 20 . HA 1 1
164 1 1 1 1 20 LYS H . 20 . HN 1 1
164 1 2 1 1 20 LYS HB2 . 20 . HB2 1 1
165 1 1 1 1 20 LYS H . 20 . HN 1 1
165 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1
166 1 1 1 1 20 LYS H . 20 . HN 1 1
166 1 2 1 1 20 LYS QD . 20 . HD# 1 1
167 1 1 1 1 20 LYS H . 20 . HN 1 1
167 1 2 1 1 20 LYS QG . 20 . HG# 1 1
168 1 1 1 1 20 LYS H . 20 . HN 1 1
168 1 2 1 1 21 THR H . 21 . HN 1 1
169 1 1 1 1 20 LYS H . 20 . HN 1 1
169 1 2 1 1 22 TRP H . 22 . HN 1 1
170 1 1 1 1 20 LYS HA . 20 . HA 1 1
170 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1
171 1 1 1 1 20 LYS HA . 20 . HA 1 1
171 1 2 1 1 22 TRP H . 22 . HN 1 1
172 1 1 1 1 20 LYS HA . 20 . HA 1 1
172 1 2 1 1 23 LEU H . 23 . HN 1 1
173 1 1 1 1 20 LYS HA . 20 . HA 1 1
173 1 2 1 1 23 LEU QB . 23 . HB# 1 1
174 1 1 1 1 20 LYS HA . 20 . HA 1 1
174 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
175 1 1 1 1 20 LYS HA . 20 . HA 1 1
175 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
176 1 1 1 1 20 LYS HB3 . 20 . HB1 1 1
176 1 2 1 1 21 THR H . 21 . HN 1 1
177 1 1 1 1 21 THR H . 21 . HN 1 1
177 1 2 1 1 21 THR HB . 21 . HB 1 1
178 1 1 1 1 21 THR H . 21 . HN 1 1
178 1 2 1 1 21 THR MG . 21 . HG2# 1 1
179 1 1 1 1 21 THR H . 21 . HN 1 1
179 1 2 1 1 22 TRP H . 22 . HN 1 1
180 1 1 1 1 21 THR HA . 21 . HA 1 1
180 1 2 1 1 21 THR HB . 21 . HB 1 1
181 1 1 1 1 21 THR HA . 21 . HA 1 1
181 1 2 1 1 21 THR MG . 21 . HG2# 1 1
182 1 1 1 1 21 THR HA . 21 . HA 1 1
182 1 2 1 1 22 TRP H . 22 . HN 1 1
183 1 1 1 1 21 THR HA . 21 . HA 1 1
183 1 2 1 1 24 LYS HB2 . 24 . HB2 1 1
184 1 1 1 1 21 THR HA . 21 . HA 1 1
184 1 2 1 1 24 LYS HB3 . 24 . HB1 1 1
185 1 1 1 1 21 THR MG . 21 . HG2# 1 1
185 1 2 1 1 22 TRP H . 22 . HN 1 1
186 1 1 1 1 22 TRP H . 22 . HN 1 1
186 1 2 1 1 22 TRP HB2 . 22 . HB2 1 1
187 1 1 1 1 22 TRP H . 22 . HN 1 1
187 1 2 1 1 22 TRP HB3 . 22 . HB1 1 1
188 1 1 1 1 22 TRP HA . 22 . HA 1 1
188 1 2 1 1 22 TRP HB2 . 22 . HB2 1 1
189 1 1 1 1 22 TRP HA . 22 . HA 1 1
189 1 2 1 1 22 TRP HB3 . 22 . HB1 1 1
190 1 1 1 1 22 TRP HA . 22 . HA 1 1
190 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
191 1 1 1 1 22 TRP HA . 22 . HA 1 1
191 1 2 1 1 23 LEU H . 23 . HN 1 1
192 1 1 1 1 22 TRP HA . 22 . HA 1 1
192 1 2 1 1 25 ALA H . 25 . HN 1 1
193 1 1 1 1 22 TRP HA . 22 . HA 1 1
193 1 2 1 1 25 ALA MB . 25 . HB# 1 1
194 1 1 1 1 22 TRP HB2 . 22 . HB2 1 1
194 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
195 1 1 1 1 22 TRP HB3 . 22 . HB1 1 1
195 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
196 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
196 1 2 1 1 23 LEU HA . 23 . HA 1 1
197 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
197 1 2 1 1 23 LEU QB . 23 . HB# 1 1
198 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
198 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
199 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
199 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
200 1 1 1 1 22 TRP HH2 . 22 . HH2 1 1
200 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
201 1 1 1 1 22 TRP HH2 . 22 . HH2 1 1
201 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
202 1 1 1 1 22 TRP HZ3 . 22 . HZ3 1 1
202 1 2 1 1 23 LEU HA . 23 . HA 1 1
203 1 1 1 1 22 TRP HZ3 . 22 . HZ3 1 1
203 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
204 1 1 1 1 22 TRP HZ3 . 22 . HZ3 1 1
204 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
205 1 1 1 1 23 LEU H . 23 . HN 1 1
205 1 2 1 1 23 LEU HA . 23 . HA 1 1
206 1 1 1 1 23 LEU H . 23 . HN 1 1
206 1 2 1 1 23 LEU QB . 23 . HB# 1 1
207 1 1 1 1 23 LEU H . 23 . HN 1 1
207 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
208 1 1 1 1 23 LEU H . 23 . HN 1 1
208 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
209 1 1 1 1 23 LEU H . 23 . HN 1 1
209 1 2 1 1 24 LYS H . 24 . HN 1 1
210 1 1 1 1 23 LEU HA . 23 . HA 1 1
210 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
211 1 1 1 1 23 LEU HA . 23 . HA 1 1
211 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
212 1 1 1 1 23 LEU HA . 23 . HA 1 1
212 1 2 1 1 24 LYS H . 24 . HN 1 1
213 1 1 1 1 23 LEU HA . 23 . HA 1 1
213 1 2 1 1 25 ALA H . 25 . HN 1 1
214 1 1 1 1 23 LEU HA . 23 . HA 1 1
214 1 2 1 1 26 LYS H . 26 . HN 1 1
215 1 1 1 1 23 LEU HA . 23 . HA 1 1
215 1 2 1 1 26 LYS QB . 26 . HB1 1 1
216 1 1 1 1 23 LEU HA . 23 . HA 1 1
216 1 2 1 1 27 LEU H . 27 . HN 1 1
217 1 1 1 1 24 LYS H . 24 . HN 1 1
217 1 2 1 1 24 LYS HA . 24 . HA 1 1
218 1 1 1 1 24 LYS H . 24 . HN 1 1
218 1 2 1 1 24 LYS HB2 . 24 . HB2 1 1
219 1 1 1 1 24 LYS H . 24 . HN 1 1
219 1 2 1 1 24 LYS HB3 . 24 . HB1 1 1
220 1 1 1 1 24 LYS H . 24 . HN 1 1
220 1 2 1 1 24 LYS QD . 24 . HD# 1 1
221 1 1 1 1 24 LYS H . 24 . HN 1 1
221 1 2 1 1 25 ALA H . 25 . HN 1 1
222 1 1 1 1 24 LYS HA . 24 . HA 1 1
222 1 2 1 1 24 LYS HB2 . 24 . HB2 1 1
223 1 1 1 1 24 LYS HA . 24 . HA 1 1
223 1 2 1 1 24 LYS HB3 . 24 . HB1 1 1
224 1 1 1 1 24 LYS HA . 24 . HA 1 1
224 1 2 1 1 24 LYS QD . 24 . HD# 1 1
225 1 1 1 1 24 LYS HA . 24 . HA 1 1
225 1 2 1 1 25 ALA H . 25 . HN 1 1
226 1 1 1 1 24 LYS HA . 24 . HA 1 1
226 1 2 1 1 26 LYS H . 26 . HN 1 1
227 1 1 1 1 24 LYS HA . 24 . HA 1 1
227 1 2 1 1 27 LEU H . 27 . HN 1 1
228 1 1 1 1 24 LYS HA . 24 . HA 1 1
228 1 2 1 1 27 LEU QD . 27 . HD# 1 1
229 1 1 1 1 24 LYS HA . 24 . HA 1 1
229 1 2 1 1 28 MET H . 28 . HN 1 1
230 1 1 1 1 24 LYS HB3 . 24 . HB1 1 1
230 1 2 1 1 25 ALA H . 25 . HN 1 1
231 1 1 1 1 25 ALA H . 25 . HN 1 1
231 1 2 1 1 25 ALA HA . 25 . HA 1 1
232 1 1 1 1 25 ALA H . 25 . HN 1 1
232 1 2 1 1 25 ALA MB . 25 . HB# 1 1
233 1 1 1 1 26 LYS H . 26 . HN 1 1
233 1 2 1 1 26 LYS HA . 26 . HA 1 1
234 1 1 1 1 26 LYS H . 26 . HN 1 1
234 1 2 1 1 26 LYS QD . 26 . HD# 1 1
235 1 1 1 1 26 LYS H . 26 . HN 1 1
235 1 2 1 1 26 LYS QG . 26 . HG# 1 1
236 1 1 1 1 26 LYS H . 26 . HN 1 1
236 1 2 1 1 27 LEU H . 27 . HN 1 1
237 1 1 1 1 26 LYS HA . 26 . HA 1 1
237 1 2 1 1 27 LEU H . 27 . HN 1 1
238 1 1 1 1 26 LYS QB . 26 . HB1 1 1
238 1 2 1 1 27 LEU H . 27 . HN 1 1
239 1 1 1 1 27 LEU H . 27 . HN 1 1
239 1 2 1 1 27 LEU HA . 27 . HA 1 1
240 1 1 1 1 27 LEU H . 27 . HN 1 1
240 1 2 1 1 27 LEU MD1 . 27 . HD1# 1 1
241 1 1 1 1 27 LEU H . 27 . HN 1 1
241 1 2 1 1 27 LEU HG . 27 . HG# 1 1
242 1 1 1 1 27 LEU HA . 27 . HA 1 1
242 1 2 1 1 27 LEU MD1 . 27 . HD1# 1 1
243 1 1 1 1 27 LEU HA . 27 . HA 1 1
243 1 2 1 1 27 LEU HG . 27 . HG# 1 1
244 1 1 1 1 27 LEU HA . 27 . HA 1 1
244 1 2 1 1 28 MET H . 28 . HN 1 1
245 1 1 1 1 27 LEU QB . 27 . HB# 1 1
245 1 2 1 1 28 MET H . 28 . HN 1 1
246 1 1 1 1 27 LEU HG . 27 . HG# 1 1
246 1 2 1 1 28 MET H . 28 . HN 1 1
247 1 1 1 1 28 MET H . 28 . HN 1 1
247 1 2 1 1 28 MET HA . 28 . HA 1 1
248 1 1 1 1 28 MET H . 28 . HN 1 1
248 1 2 1 1 28 MET QB . 28 . HB# 1 1
249 1 1 1 1 28 MET H . 28 . HN 1 1
249 1 2 1 1 28 MET QG . 28 . HG# 1 1
250 1 1 1 1 28 MET H . 28 . HN 1 1
250 1 2 1 1 29 PRO QD . 29 . HD# 1 1
251 1 1 1 1 28 MET HA . 28 . HA 1 1
251 1 2 1 1 29 PRO QD . 29 . HD# 1 1
252 1 1 1 1 28 MET HA . 28 . HA 1 1
252 1 2 1 1 31 LEU QB . 31 . HB# 1 1
253 1 1 1 1 29 PRO HA . 29 . HA 1 1
253 1 2 1 1 29 PRO HB3 . 29 . HB1 1 1
254 1 1 1 1 29 PRO HA . 29 . HA 1 1
254 1 2 1 1 29 PRO QD . 29 . HD# 1 1
255 1 1 1 1 29 PRO HA . 29 . HA 1 1
255 1 2 1 1 30 GLN H . 30 . HN 1 1
256 1 1 1 1 30 GLN H . 30 . HN 1 1
256 1 2 1 1 30 GLN HA . 30 . HA 1 1
257 1 1 1 1 30 GLN H . 30 . HN 1 1
257 1 2 1 1 30 GLN HB2 . 30 . HB1 1 1
258 1 1 1 1 30 GLN H . 30 . HN 1 1
258 1 2 1 1 30 GLN HB3 . 30 . HB2 1 1
259 1 1 1 1 30 GLN HA . 30 . HA 1 1
259 1 2 1 1 31 LEU H . 31 . HN 1 1
260 1 1 1 1 31 LEU H . 31 . HN 1 1
260 1 2 1 1 31 LEU HA . 31 . HA 1 1
261 1 1 1 1 31 LEU H . 31 . HN 1 1
261 1 2 1 1 31 LEU QB . 31 . HB# 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 3.08 1 1
2 1 . . . . . 3.9 1.8 4.29 1 1
3 1 . . . . . 3.9 1.8 4.29 1 1
4 1 . . . . . 2.8 1.8 3.08 1 1
5 1 . . . . . 2.8 1.8 3.08 1 1
6 1 . . . . . 2.8 1.8 3.08 1 1
7 1 . . . . . 3.9 1.8 4.29 1 1
8 1 . . . . . 3.9 1.8 4.29 1 1
9 1 . . . . . 2.8 1.8 3.08 1 1
10 1 . . . . . 3.9 1.8 4.29 1 1
11 1 . . . . . 3.9 1.8 4.29 1 1
12 1 . . . . . 3.9 1.8 4.29 1 1
13 1 . . . . . 2.8 1.8 3.08 1 1
14 1 . . . . . 2.8 1.8 3.08 1 1
15 1 . . . . . 2.8 1.8 3.08 1 1
16 1 . . . . . 3.9 1.8 4.29 1 1
17 1 . . . . . 3.9 1.8 4.29 1 1
18 1 . . . . . 3.9 1.8 4.29 1 1
19 1 . . . . . 5.0 1.8 5.5 1 1
20 1 . . . . . 3.9 1.8 4.29 1 1
21 1 . . . . . 3.9 1.8 4.29 1 1
22 1 . . . . . 5.0 1.8 5.5 1 1
23 1 . . . . . 3.9 1.8 4.29 1 1
24 1 . . . . . 5.0 1.8 6.5 1 1
25 1 . . . . . 5.0 1.8 5.5 1 1
26 1 . . . . . 3.9 1.8 5.29 1 1
27 1 . . . . . 2.8 1.8 3.08 1 1
28 1 . . . . . 3.9 1.8 5.29 1 1
29 1 . . . . . 3.9 1.8 5.29 1 1
30 1 . . . . . 3.9 2.9 5.29 1 1
31 1 . . . . . 3.9 1.8 4.29 1 1
32 1 . . . . . 2.8 1.8 3.08 1 1
33 1 . . . . . 2.8 1.8 3.08 1 1
34 1 . . . . . 3.9 1.8 5.29 1 1
35 1 . . . . . 5.0 1.8 6.5 1 1
36 1 . . . . . 5.0 1.8 6.5 1 1
37 1 . . . . . 3.9 1.8 4.29 1 1
38 1 . . . . . 3.9 1.8 4.29 1 1
39 1 . . . . . 5.0 2.9 6.5 1 1
40 1 . . . . . 3.9 1.8 4.29 1 1
41 1 . . . . . 3.9 1.8 4.29 1 1
42 1 . . . . . 3.9 1.8 5.29 1 1
43 1 . . . . . 5.0 1.8 5.5 1 1
44 1 . . . . . 3.9 1.8 4.29 1 1
45 1 . . . . . 3.9 1.8 4.29 1 1
46 1 . . . . . 2.8 1.8 3.08 1 1
47 1 . . . . . 3.9 1.8 4.29 1 1
48 1 . . . . . 3.9 1.8 4.29 1 1
49 1 . . . . . 2.8 1.8 3.08 1 1
50 1 . . . . . 2.8 1.8 3.08 1 1
51 1 . . . . . 3.9 1.8 4.29 1 1
52 1 . . . . . 3.9 1.8 4.29 1 1
53 1 . . . . . 3.9 1.8 4.29 1 1
54 1 . . . . . 3.9 1.8 4.29 1 1
55 1 . . . . . 3.9 1.8 4.29 1 1
56 1 . . . . . 3.9 1.8 4.29 1 1
57 1 . . . . . 3.9 1.8 4.29 1 1
58 1 . . . . . 2.8 1.8 3.08 1 1
59 1 . . . . . 3.9 1.8 4.29 1 1
60 1 . . . . . 5.0 1.8 5.5 1 1
61 1 . . . . . 3.9 1.8 4.29 1 1
62 1 . . . . . 3.9 1.8 4.29 1 1
63 1 . . . . . 3.9 1.8 4.29 1 1
64 1 . . . . . 5.0 1.8 5.5 1 1
65 1 . . . . . 5.0 1.8 6.5 1 1
66 1 . . . . . 5.0 1.8 6.5 1 1
67 1 . . . . . 3.9 1.8 5.29 1 1
68 1 . . . . . 3.9 2.9 5.29 1 1
69 1 . . . . . 2.8 1.8 3.08 1 1
70 1 . . . . . 5.0 1.8 5.5 1 1
71 1 . . . . . 3.9 0.7 4.29 1 1
72 1 . . . . . 3.9 1.8 4.29 1 1
73 1 . . . . . 2.8 0.7 3.08 1 1
74 1 . . . . . 2.8 1.8 4.08 1 1
75 1 . . . . . 2.8 1.8 4.08 1 1
76 1 . . . . . 3.9 2.9 5.29 1 1
77 1 . . . . . 3.9 2.9 5.29 1 1
78 1 . . . . . 3.9 1.8 4.29 1 1
79 1 . . . . . 3.9 1.8 4.29 1 1
80 1 . . . . . 2.8 1.8 3.08 1 1
81 1 . . . . . 2.8 1.8 3.08 1 1
82 1 . . . . . 2.8 1.8 3.08 1 1
83 1 . . . . . 3.9 1.8 4.29 1 1
84 1 . . . . . 3.9 1.8 4.29 1 1
85 1 . . . . . 3.9 1.8 4.29 1 1
86 1 . . . . . 3.9 1.8 4.29 1 1
87 1 . . . . . 3.9 1.8 4.29 1 1
88 1 . . . . . 2.8 1.8 3.08 1 1
89 1 . . . . . 2.8 1.8 3.08 1 1
90 1 . . . . . 5.0 1.8 5.5 1 1
91 1 . . . . . 5.0 1.8 5.5 1 1
92 1 . . . . . 3.9 1.8 4.29 1 1
93 1 . . . . . 3.9 1.8 4.29 1 1
94 1 . . . . . 3.9 1.8 4.29 1 1
95 1 . . . . . 5.0 1.8 5.5 1 1
96 1 . . . . . 5.0 1.8 5.5 1 1
97 1 . . . . . 5.0 1.8 5.5 1 1
98 1 . . . . . 5.0 1.8 6.5 1 1
99 1 . . . . . 3.9 1.8 5.29 1 1
100 1 . . . . . 2.8 1.8 3.08 1 1
101 1 . . . . . 2.8 1.8 3.08 1 1
102 1 . . . . . 5.0 1.8 6.5 1 1
103 1 . . . . . 3.9 1.8 5.29 1 1
104 1 . . . . . 3.9 1.8 5.29 1 1
105 1 . . . . . 2.8 1.8 3.08 1 1
106 1 . . . . . 2.8 1.8 3.08 1 1
107 1 . . . . . 3.9 1.8 5.29 1 1
108 1 . . . . . 3.9 2.9 5.29 1 1
109 1 . . . . . 3.9 1.8 4.29 1 1
110 1 . . . . . 3.9 1.8 4.29 1 1
111 1 . . . . . 3.9 1.8 4.29 1 1
112 1 . . . . . 5.0 1.8 6.5 1 1
113 1 . . . . . 3.9 2.9 5.29 1 1
114 1 . . . . . 3.9 1.8 4.29 1 1
115 1 . . . . . 2.8 1.8 4.08 1 1
116 1 . . . . . 3.9 1.8 4.29 1 1
117 1 . . . . . 5.0 1.8 6.5 1 1
118 1 . . . . . 2.8 1.8 3.08 1 1
119 1 . . . . . 2.8 1.8 3.08 1 1
120 1 . . . . . 2.8 1.8 3.08 1 1
121 1 . . . . . 3.9 1.8 4.29 1 1
122 1 . . . . . 3.9 1.8 4.29 1 1
123 1 . . . . . 3.9 1.8 4.29 1 1
124 1 . . . . . 3.9 1.8 4.29 1 1
125 1 . . . . . 3.9 1.8 4.29 1 1
126 1 . . . . . 3.9 1.8 4.29 1 1
127 1 . . . . . 3.9 1.8 4.29 1 1
128 1 . . . . . 2.8 1.8 3.08 1 1
129 1 . . . . . 3.9 1.8 4.29 1 1
130 1 . . . . . 3.9 1.8 4.29 1 1
131 1 . . . . . 3.9 1.8 4.29 1 1
132 1 . . . . . 5.0 1.8 5.5 1 1
133 1 . . . . . 5.0 1.8 5.5 1 1
134 1 . . . . . 5.0 1.8 6.5 1 1
135 1 . . . . . 3.9 1.8 4.29 1 1
136 1 . . . . . 3.9 1.8 5.29 1 1
137 1 . . . . . 3.9 1.8 5.29 1 1
138 1 . . . . . 3.9 1.8 4.29 1 1
139 1 . . . . . 5.0 1.8 5.5 1 1
140 1 . . . . . 3.9 1.8 5.29 1 1
141 1 . . . . . 3.9 1.8 5.29 1 1
142 1 . . . . . 3.9 1.8 5.29 1 1
143 1 . . . . . 3.9 2.9 5.29 1 1
144 1 . . . . . 3.9 2.9 5.29 1 1
145 1 . . . . . 3.9 1.8 4.29 1 1
146 1 . . . . . 3.9 2.9 5.29 1 1
147 1 . . . . . 3.9 2.9 5.29 1 1
148 1 . . . . . 2.8 0.7 3.08 1 1
149 1 . . . . . 2.8 0.7 3.08 1 1
150 1 . . . . . 2.8 1.8 3.08 1 1
151 1 . . . . . 2.8 1.8 4.08 1 1
152 1 . . . . . 2.8 0.7 3.08 1 1
153 1 . . . . . 2.8 0.7 3.08 1 1
154 1 . . . . . 3.9 1.8 4.29 1 1
155 1 . . . . . 2.8 1.8 3.08 1 1
156 1 . . . . . 5.0 1.8 6.5 1 1
157 1 . . . . . 3.9 1.8 4.29 1 1
158 1 . . . . . 3.9 1.8 5.29 1 1
159 1 . . . . . 3.9 1.8 4.29 1 1
160 1 . . . . . 3.9 1.8 5.29 1 1
161 1 . . . . . 2.8 1.8 5.08 1 1
162 1 . . . . . 3.9 1.8 5.29 1 1
163 1 . . . . . 2.8 1.8 3.08 1 1
164 1 . . . . . 3.9 1.8 4.29 1 1
165 1 . . . . . 3.9 1.8 4.29 1 1
166 1 . . . . . 5.0 1.8 6.5 1 1
167 1 . . . . . 5.0 2.9 6.5 1 1
168 1 . . . . . 2.8 1.8 3.08 1 1
169 1 . . . . . 3.9 1.8 4.29 1 1
170 1 . . . . . 2.8 1.8 3.08 1 1
171 1 . . . . . 5.0 1.8 5.5 1 1
172 1 . . . . . 3.9 1.8 4.29 1 1
173 1 . . . . . 4.3 2.2 5.73 1 1
174 1 . . . . . 5.0 1.8 6.5 1 1
175 1 . . . . . 5.0 1.8 6.5 1 1
176 1 . . . . . 3.9 1.8 4.29 1 1
177 1 . . . . . 2.8 1.8 3.08 1 1
178 1 . . . . . 3.9 1.8 5.29 1 1
179 1 . . . . . 2.8 1.8 3.08 1 1
180 1 . . . . . 2.8 1.8 3.08 1 1
181 1 . . . . . 2.8 1.8 4.08 1 1
182 1 . . . . . 3.9 1.8 4.29 1 1
183 1 . . . . . 3.9 1.8 4.29 1 1
184 1 . . . . . 3.9 1.8 4.29 1 1
185 1 . . . . . 5.0 1.8 6.5 1 1
186 1 . . . . . 2.8 1.8 3.08 1 1
187 1 . . . . . 2.8 1.8 3.08 1 1
188 1 . . . . . 2.8 1.8 3.08 1 1
189 1 . . . . . 2.8 1.8 3.08 1 1
190 1 . . . . . 5.0 1.8 5.5 1 1
191 1 . . . . . 3.9 1.8 4.29 1 1
192 1 . . . . . 3.9 1.8 4.29 1 1
193 1 . . . . . 2.8 1.8 4.08 1 1
194 1 . . . . . 3.9 1.8 4.29 1 1
195 1 . . . . . 3.9 1.8 4.29 1 1
196 1 . . . . . 2.8 1.8 3.08 1 1
197 1 . . . . . 3.9 1.8 5.29 1 1
198 1 . . . . . 3.9 1.8 5.29 1 1
199 1 . . . . . 3.9 1.8 5.29 1 1
200 1 . . . . . 3.9 1.8 5.29 1 1
201 1 . . . . . 3.9 1.8 5.29 1 1
202 1 . . . . . 3.9 1.8 4.29 1 1
203 1 . . . . . 3.9 1.8 5.29 1 1
204 1 . . . . . 3.9 1.8 5.29 1 1
205 1 . . . . . 2.8 1.8 3.08 1 1
206 1 . . . . . 2.8 1.8 4.08 1 1
207 1 . . . . . 5.0 1.8 6.5 1 1
208 1 . . . . . 5.0 1.8 6.5 1 1
209 1 . . . . . 2.8 1.8 3.08 1 1
210 1 . . . . . 2.8 1.8 4.08 1 1
211 1 . . . . . 2.8 1.8 4.08 1 1
212 1 . . . . . 3.9 1.8 4.29 1 1
213 1 . . . . . 5.0 1.8 5.5 1 1
214 1 . . . . . 3.9 1.8 4.29 1 1
215 1 . . . . . 3.9 1.8 4.29 1 1
216 1 . . . . . 3.9 1.8 4.29 1 1
217 1 . . . . . 2.8 1.8 3.08 1 1
218 1 . . . . . 3.9 1.8 4.29 1 1
219 1 . . . . . 3.9 1.8 4.29 1 1
220 1 . . . . . 3.9 1.8 5.29 1 1
221 1 . . . . . 2.8 1.8 3.08 1 1
222 1 . . . . . 2.8 1.8 3.08 1 1
223 1 . . . . . 2.8 1.8 3.08 1 1
224 1 . . . . . 3.9 1.8 5.29 1 1
225 1 . . . . . 3.9 1.8 4.29 1 1
226 1 . . . . . 5.0 1.8 5.5 1 1
227 1 . . . . . 3.9 1.8 4.29 1 1
228 1 . . . . . 3.9 1.8 5.29 1 1
229 1 . . . . . 3.9 1.8 4.29 1 1
230 1 . . . . . 2.8 1.8 3.08 1 1
231 1 . . . . . 2.8 1.8 3.08 1 1
232 1 . . . . . 2.8 1.8 4.08 1 1
233 1 . . . . . 2.8 1.8 3.08 1 1
234 1 . . . . . 3.9 1.8 5.29 1 1
235 1 . . . . . 3.9 1.8 5.29 1 1
236 1 . . . . . 3.9 1.8 4.29 1 1
237 1 . . . . . 3.9 1.8 4.29 1 1
238 1 . . . . . 3.9 1.8 4.29 1 1
239 1 . . . . . 2.8 1.8 3.08 1 1
240 1 . . . . . 3.9 1.8 5.29 1 1
241 1 . . . . . 3.9 1.8 5.29 1 1
242 1 . . . . . 2.8 1.8 4.08 1 1
243 1 . . . . . 2.8 1.8 4.08 1 1
244 1 . . . . . 3.9 1.8 4.29 1 1
245 1 . . . . . 3.9 1.8 5.29 1 1
246 1 . . . . . 5.0 1.8 6.5 1 1
247 1 . . . . . 2.8 1.8 3.08 1 1
248 1 . . . . . 2.8 1.8 4.08 1 1
249 1 . . . . . 3.9 1.8 5.29 1 1
250 1 . . . . . 3.9 1.8 5.29 1 1
251 1 . . . . . 2.8 1.8 4.08 1 1
252 1 . . . . . 5.0 1.8 6.5 1 1
253 1 . . . . . 2.8 1.8 3.08 1 1
254 1 . . . . . 3.9 1.8 5.29 1 1
255 1 . . . . . 2.8 1.8 3.08 1 1
256 1 . . . . . 2.8 1.8 3.08 1 1
257 1 . . . . . 2.8 1.8 3.08 1 1
258 1 . . . . . 3.9 1.8 4.29 1 1
259 1 . . . . . 2.8 1.8 3.08 1 1
260 1 . . . . . 2.8 1.8 3.08 1 1
261 1 . . . . . 2.8 1.8 4.08 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 SER C C -24.340 -2.514 -3.808 1.00 . A A . 1 SER C 1 1
1 2 1 1 1 SER CA C -25.251 -2.085 -4.964 1.00 . A A . 1 SER CA 1 1
1 3 1 1 1 SER CB C -25.034 -0.606 -5.289 1.00 . A A . 1 SER CB 1 1
1 4 1 1 1 SER H1 H -26.901 -3.177 -4.305 1.00 . A A . 1 SER H1 1 1
1 5 1 1 1 SER H2 H -27.292 -1.904 -5.361 1.00 . A A . 1 SER H2 1 1
1 6 1 1 1 SER H3 H -26.869 -1.576 -3.748 1.00 . A A . 1 SER H3 1 1
1 7 1 1 1 SER HA H -25.057 -2.686 -5.839 1.00 . A A . 1 SER HA 1 1
1 8 1 1 1 SER HB2 H -25.265 -0.006 -4.424 1.00 . A A . 1 SER HB2 1 1
1 9 1 1 1 SER HB3 H -24.000 -0.447 -5.567 1.00 . A A . 1 SER HB3 1 1
1 10 1 1 1 SER HG H -25.489 0.519 -6.811 1.00 . A A . 1 SER HG 1 1
1 11 1 1 1 SER N N -26.687 -2.193 -4.564 1.00 . A A . 1 SER N 1 1
1 12 1 1 1 SER O O -24.756 -2.565 -2.666 1.00 . A A . 1 SER O 1 1
1 13 1 1 1 SER OG O -25.888 -0.230 -6.360 1.00 . A A . 1 SER OG 1 1
1 14 1 1 2 GLY C C -21.782 -2.022 -2.170 1.00 . A A . 2 GLY C 1 1
1 15 1 1 2 GLY CA C -22.153 -3.238 -3.022 1.00 . A A . 2 GLY CA 1 1
1 16 1 1 2 GLY H H -22.786 -2.765 -5.027 1.00 . A A . 2 GLY H 1 1
1 17 1 1 2 GLY HA2 H -22.625 -3.986 -2.400 1.00 . A A . 2 GLY HA2 1 1
1 18 1 1 2 GLY HA3 H -21.260 -3.649 -3.466 1.00 . A A . 2 GLY HA3 1 1
1 19 1 1 2 GLY N N -23.098 -2.818 -4.099 1.00 . A A . 2 GLY N 1 1
1 20 1 1 2 GLY O O -22.057 -1.980 -0.986 1.00 . A A . 2 GLY O 1 1
1 21 1 1 3 SER C C -19.913 -0.142 -0.779 1.00 . A A . 3 SER C 1 1
1 22 1 1 3 SER CA C -20.755 0.206 -2.021 1.00 . A A . 3 SER CA 1 1
1 23 1 1 3 SER CB C -22.072 0.876 -1.614 1.00 . A A . 3 SER CB 1 1
1 24 1 1 3 SER H H -20.954 -1.101 -3.728 1.00 . A A . 3 SER H 1 1
1 25 1 1 3 SER HA H -20.201 0.865 -2.669 1.00 . A A . 3 SER HA 1 1
1 26 1 1 3 SER HB2 H -22.650 0.202 -1.003 1.00 . A A . 3 SER HB2 1 1
1 27 1 1 3 SER HB3 H -21.857 1.774 -1.049 1.00 . A A . 3 SER HB3 1 1
1 28 1 1 3 SER HG H -23.381 1.949 -2.574 1.00 . A A . 3 SER HG 1 1
1 29 1 1 3 SER N N -21.158 -1.032 -2.772 1.00 . A A . 3 SER N 1 1
1 30 1 1 3 SER O O -19.894 0.594 0.191 1.00 . A A . 3 SER O 1 1
1 31 1 1 3 SER OG O -22.815 1.202 -2.782 1.00 . A A . 3 SER OG 1 1
1 32 1 1 4 TRP C C -16.915 -1.858 -0.068 1.00 . A A . 4 TRP C 1 1
1 33 1 1 4 TRP CA C -18.369 -1.641 0.370 1.00 . A A . 4 TRP CA 1 1
1 34 1 1 4 TRP CB C -18.979 -2.949 0.883 1.00 . A A . 4 TRP CB 1 1
1 35 1 1 4 TRP CD1 C -20.457 -2.691 2.916 1.00 . A A . 4 TRP CD1 1 1
1 36 1 1 4 TRP CD2 C -18.277 -2.852 3.447 1.00 . A A . 4 TRP CD2 1 1
1 37 1 1 4 TRP CE2 C -18.983 -2.713 4.665 1.00 . A A . 4 TRP CE2 1 1
1 38 1 1 4 TRP CE3 C -16.877 -2.973 3.502 1.00 . A A . 4 TRP CE3 1 1
1 39 1 1 4 TRP CG C -19.237 -2.835 2.351 1.00 . A A . 4 TRP CG 1 1
1 40 1 1 4 TRP CH2 C -16.932 -2.817 5.931 1.00 . A A . 4 TRP CH2 1 1
1 41 1 1 4 TRP CZ2 C -18.323 -2.696 5.895 1.00 . A A . 4 TRP CZ2 1 1
1 42 1 1 4 TRP CZ3 C -16.210 -2.956 4.738 1.00 . A A . 4 TRP CZ3 1 1
1 43 1 1 4 TRP H H -19.236 -1.826 -1.596 1.00 . A A . 4 TRP H 1 1
1 44 1 1 4 TRP HA H -18.420 -0.885 1.137 1.00 . A A . 4 TRP HA 1 1
1 45 1 1 4 TRP HB2 H -19.908 -3.140 0.368 1.00 . A A . 4 TRP HB2 1 1
1 46 1 1 4 TRP HB3 H -18.292 -3.762 0.701 1.00 . A A . 4 TRP HB3 1 1
1 47 1 1 4 TRP HD1 H -21.395 -2.640 2.382 1.00 . A A . 4 TRP HD1 1 1
1 48 1 1 4 TRP HE1 H -21.040 -2.513 4.932 1.00 . A A . 4 TRP HE1 1 1
1 49 1 1 4 TRP HE3 H -16.312 -3.080 2.589 1.00 . A A . 4 TRP HE3 1 1
1 50 1 1 4 TRP HH2 H -16.413 -2.805 6.878 1.00 . A A . 4 TRP HH2 1 1
1 51 1 1 4 TRP HZ2 H -18.884 -2.589 6.811 1.00 . A A . 4 TRP HZ2 1 1
1 52 1 1 4 TRP HZ3 H -15.135 -3.050 4.768 1.00 . A A . 4 TRP HZ3 1 1
1 53 1 1 4 TRP N N -19.211 -1.251 -0.804 1.00 . A A . 4 TRP N 1 1
1 54 1 1 4 TRP NE1 N -20.308 -2.618 4.289 1.00 . A A . 4 TRP NE1 1 1
1 55 1 1 4 TRP O O -15.991 -1.381 0.567 1.00 . A A . 4 TRP O 1 1
1 56 1 1 5 LEU C C -14.598 -1.485 -1.898 1.00 . A A . 5 LEU C 1 1
1 57 1 1 5 LEU CA C -15.315 -2.818 -1.646 1.00 . A A . 5 LEU CA 1 1
1 58 1 1 5 LEU CB C -15.481 -3.594 -2.957 1.00 . A A . 5 LEU CB 1 1
1 59 1 1 5 LEU CD1 C -16.921 -5.604 -2.579 1.00 . A A . 5 LEU CD1 1 1
1 60 1 1 5 LEU CD2 C -14.754 -5.834 -3.800 1.00 . A A . 5 LEU CD2 1 1
1 61 1 1 5 LEU CG C -15.480 -5.098 -2.670 1.00 . A A . 5 LEU CG 1 1
1 62 1 1 5 LEU H H -17.472 -2.940 -1.644 1.00 . A A . 5 LEU H 1 1
1 63 1 1 5 LEU HA H -14.764 -3.411 -0.934 1.00 . A A . 5 LEU HA 1 1
1 64 1 1 5 LEU HB2 H -16.414 -3.315 -3.425 1.00 . A A . 5 LEU HB2 1 1
1 65 1 1 5 LEU HB3 H -14.663 -3.356 -3.620 1.00 . A A . 5 LEU HB3 1 1
1 66 1 1 5 LEU HD11 H -16.922 -6.684 -2.541 1.00 . A A . 5 LEU HD11 1 1
1 67 1 1 5 LEU HD12 H -17.474 -5.275 -3.446 1.00 . A A . 5 LEU HD12 1 1
1 68 1 1 5 LEU HD13 H -17.385 -5.213 -1.686 1.00 . A A . 5 LEU HD13 1 1
1 69 1 1 5 LEU HD21 H -14.945 -6.894 -3.721 1.00 . A A . 5 LEU HD21 1 1
1 70 1 1 5 LEU HD22 H -13.692 -5.653 -3.723 1.00 . A A . 5 LEU HD22 1 1
1 71 1 1 5 LEU HD23 H -15.112 -5.474 -4.753 1.00 . A A . 5 LEU HD23 1 1
1 72 1 1 5 LEU HG H -14.974 -5.286 -1.734 1.00 . A A . 5 LEU HG 1 1
1 73 1 1 5 LEU N N -16.708 -2.571 -1.152 1.00 . A A . 5 LEU N 1 1
1 74 1 1 5 LEU O O -13.423 -1.346 -1.619 1.00 . A A . 5 LEU O 1 1
1 75 1 1 6 ARG C C -14.106 1.400 -1.365 1.00 . A A . 6 ARG C 1 1
1 76 1 1 6 ARG CA C -14.673 0.832 -2.670 1.00 . A A . 6 ARG CA 1 1
1 77 1 1 6 ARG CB C -15.802 1.723 -3.197 1.00 . A A . 6 ARG CB 1 1
1 78 1 1 6 ARG CD C -17.808 1.006 -4.508 1.00 . A A . 6 ARG CD 1 1
1 79 1 1 6 ARG CG C -16.288 1.196 -4.551 1.00 . A A . 6 ARG CG 1 1
1 80 1 1 6 ARG CZ C -18.275 2.258 -6.537 1.00 . A A . 6 ARG CZ 1 1
1 81 1 1 6 ARG H H -16.252 -0.642 -2.618 1.00 . A A . 6 ARG H 1 1
1 82 1 1 6 ARG HA H -13.895 0.744 -3.411 1.00 . A A . 6 ARG HA 1 1
1 83 1 1 6 ARG HB2 H -16.621 1.719 -2.492 1.00 . A A . 6 ARG HB2 1 1
1 84 1 1 6 ARG HB3 H -15.436 2.732 -3.317 1.00 . A A . 6 ARG HB3 1 1
1 85 1 1 6 ARG HD2 H -18.051 0.035 -4.099 1.00 . A A . 6 ARG HD2 1 1
1 86 1 1 6 ARG HD3 H -18.268 1.787 -3.923 1.00 . A A . 6 ARG HD3 1 1
1 87 1 1 6 ARG HE H -18.535 0.292 -6.407 1.00 . A A . 6 ARG HE 1 1
1 88 1 1 6 ARG HG2 H -16.033 1.906 -5.325 1.00 . A A . 6 ARG HG2 1 1
1 89 1 1 6 ARG HG3 H -15.815 0.249 -4.762 1.00 . A A . 6 ARG HG3 1 1
1 90 1 1 6 ARG HH11 H -19.637 3.057 -5.301 1.00 . A A . 6 ARG HH11 1 1
1 91 1 1 6 ARG HH12 H -19.072 4.099 -6.565 1.00 . A A . 6 ARG HH12 1 1
1 92 1 1 6 ARG HH21 H -16.914 1.727 -7.910 1.00 . A A . 6 ARG HH21 1 1
1 93 1 1 6 ARG HH22 H -17.525 3.342 -8.049 1.00 . A A . 6 ARG HH22 1 1
1 94 1 1 6 ARG N N -15.304 -0.503 -2.412 1.00 . A A . 6 ARG N 1 1
1 95 1 1 6 ARG NE N -18.255 1.100 -5.929 1.00 . A A . 6 ARG NE 1 1
1 96 1 1 6 ARG NH1 N -19.056 3.212 -6.101 1.00 . A A . 6 ARG NH1 1 1
1 97 1 1 6 ARG NH2 N -17.512 2.458 -7.580 1.00 . A A . 6 ARG NH2 1 1
1 98 1 1 6 ARG O O -13.014 1.938 -1.335 1.00 . A A . 6 ARG O 1 1
1 99 1 1 7 ASP C C -13.129 0.952 1.479 1.00 . A A . 7 ASP C 1 1
1 100 1 1 7 ASP CA C -14.343 1.776 1.034 1.00 . A A . 7 ASP CA 1 1
1 101 1 1 7 ASP CB C -15.510 1.588 2.009 1.00 . A A . 7 ASP CB 1 1
1 102 1 1 7 ASP CG C -15.735 2.883 2.793 1.00 . A A . 7 ASP CG 1 1
1 103 1 1 7 ASP H H -15.708 0.817 -0.336 1.00 . A A . 7 ASP H 1 1
1 104 1 1 7 ASP HA H -14.084 2.820 0.960 1.00 . A A . 7 ASP HA 1 1
1 105 1 1 7 ASP HB2 H -16.406 1.341 1.458 1.00 . A A . 7 ASP HB2 1 1
1 106 1 1 7 ASP HB3 H -15.279 0.790 2.698 1.00 . A A . 7 ASP HB3 1 1
1 107 1 1 7 ASP N N -14.838 1.266 -0.283 1.00 . A A . 7 ASP N 1 1
1 108 1 1 7 ASP O O -12.184 1.476 2.036 1.00 . A A . 7 ASP O 1 1
1 109 1 1 7 ASP OD1 O -16.491 3.714 2.319 1.00 . A A . 7 ASP OD1 1 1
1 110 1 1 7 ASP OD2 O -15.149 3.019 3.855 1.00 . A A . 7 ASP OD2 1 1
1 111 1 1 8 ILE C C -10.732 -0.744 0.844 1.00 . A A . 8 ILE C 1 1
1 112 1 1 8 ILE CA C -11.984 -1.198 1.608 1.00 . A A . 8 ILE CA 1 1
1 113 1 1 8 ILE CB C -12.385 -2.627 1.211 1.00 . A A . 8 ILE CB 1 1
1 114 1 1 8 ILE CD1 C -14.118 -4.394 1.603 1.00 . A A . 8 ILE CD1 1 1
1 115 1 1 8 ILE CG1 C -13.445 -3.150 2.189 1.00 . A A . 8 ILE CG1 1 1
1 116 1 1 8 ILE CG2 C -11.157 -3.544 1.261 1.00 . A A . 8 ILE CG2 1 1
1 117 1 1 8 ILE H H -13.914 -0.731 0.759 1.00 . A A . 8 ILE H 1 1
1 118 1 1 8 ILE HA H -11.817 -1.143 2.672 1.00 . A A . 8 ILE HA 1 1
1 119 1 1 8 ILE HB H -12.788 -2.622 0.209 1.00 . A A . 8 ILE HB 1 1
1 120 1 1 8 ILE HD11 H -14.869 -4.094 0.888 1.00 . A A . 8 ILE HD11 1 1
1 121 1 1 8 ILE HD12 H -14.583 -4.959 2.398 1.00 . A A . 8 ILE HD12 1 1
1 122 1 1 8 ILE HD13 H -13.377 -5.008 1.112 1.00 . A A . 8 ILE HD13 1 1
1 123 1 1 8 ILE HG12 H -12.975 -3.403 3.128 1.00 . A A . 8 ILE HG12 1 1
1 124 1 1 8 ILE HG13 H -14.190 -2.386 2.354 1.00 . A A . 8 ILE HG13 1 1
1 125 1 1 8 ILE HG21 H -11.478 -4.575 1.276 1.00 . A A . 8 ILE HG21 1 1
1 126 1 1 8 ILE HG22 H -10.584 -3.332 2.151 1.00 . A A . 8 ILE HG22 1 1
1 127 1 1 8 ILE HG23 H -10.544 -3.371 0.389 1.00 . A A . 8 ILE HG23 1 1
1 128 1 1 8 ILE N N -13.144 -0.336 1.220 1.00 . A A . 8 ILE N 1 1
1 129 1 1 8 ILE O O -9.669 -0.603 1.414 1.00 . A A . 8 ILE O 1 1
1 130 1 1 9 TRP C C -9.188 1.328 -0.709 1.00 . A A . 9 TRP C 1 1
1 131 1 1 9 TRP CA C -9.676 -0.030 -1.237 1.00 . A A . 9 TRP CA 1 1
1 132 1 1 9 TRP CB C -10.179 0.119 -2.680 1.00 . A A . 9 TRP CB 1 1
1 133 1 1 9 TRP CD1 C -10.196 -2.415 -2.853 1.00 . A A . 9 TRP CD1 1 1
1 134 1 1 9 TRP CD2 C -11.725 -1.440 -4.185 1.00 . A A . 9 TRP CD2 1 1
1 135 1 1 9 TRP CE2 C -11.847 -2.836 -4.380 1.00 . A A . 9 TRP CE2 1 1
1 136 1 1 9 TRP CE3 C -12.578 -0.592 -4.912 1.00 . A A . 9 TRP CE3 1 1
1 137 1 1 9 TRP CG C -10.671 -1.197 -3.208 1.00 . A A . 9 TRP CG 1 1
1 138 1 1 9 TRP CH2 C -13.625 -2.513 -5.980 1.00 . A A . 9 TRP CH2 1 1
1 139 1 1 9 TRP CZ2 C -12.784 -3.370 -5.266 1.00 . A A . 9 TRP CZ2 1 1
1 140 1 1 9 TRP CZ3 C -13.522 -1.126 -5.804 1.00 . A A . 9 TRP CZ3 1 1
1 141 1 1 9 TRP H H -11.730 -0.602 -0.873 1.00 . A A . 9 TRP H 1 1
1 142 1 1 9 TRP HA H -8.881 -0.758 -1.195 1.00 . A A . 9 TRP HA 1 1
1 143 1 1 9 TRP HB2 H -10.987 0.835 -2.702 1.00 . A A . 9 TRP HB2 1 1
1 144 1 1 9 TRP HB3 H -9.372 0.475 -3.303 1.00 . A A . 9 TRP HB3 1 1
1 145 1 1 9 TRP HD1 H -9.404 -2.598 -2.142 1.00 . A A . 9 TRP HD1 1 1
1 146 1 1 9 TRP HE1 H -10.748 -4.352 -3.468 1.00 . A A . 9 TRP HE1 1 1
1 147 1 1 9 TRP HE3 H -12.507 0.478 -4.784 1.00 . A A . 9 TRP HE3 1 1
1 148 1 1 9 TRP HH2 H -14.353 -2.917 -6.668 1.00 . A A . 9 TRP HH2 1 1
1 149 1 1 9 TRP HZ2 H -12.859 -4.440 -5.398 1.00 . A A . 9 TRP HZ2 1 1
1 150 1 1 9 TRP HZ3 H -14.173 -0.465 -6.357 1.00 . A A . 9 TRP HZ3 1 1
1 151 1 1 9 TRP N N -10.857 -0.495 -0.438 1.00 . A A . 9 TRP N 1 1
1 152 1 1 9 TRP NE1 N -10.896 -3.387 -3.546 1.00 . A A . 9 TRP NE1 1 1
1 153 1 1 9 TRP O O -8.015 1.644 -0.776 1.00 . A A . 9 TRP O 1 1
1 154 1 1 10 ASP C C -8.667 3.335 1.474 1.00 . A A . 10 ASP C 1 1
1 155 1 1 10 ASP CA C -9.703 3.471 0.348 1.00 . A A . 10 ASP CA 1 1
1 156 1 1 10 ASP CB C -11.007 4.071 0.885 1.00 . A A . 10 ASP CB 1 1
1 157 1 1 10 ASP CG C -10.806 5.557 1.181 1.00 . A A . 10 ASP CG 1 1
1 158 1 1 10 ASP H H -11.028 1.846 -0.151 1.00 . A A . 10 ASP H 1 1
1 159 1 1 10 ASP HA H -9.316 4.092 -0.444 1.00 . A A . 10 ASP HA 1 1
1 160 1 1 10 ASP HB2 H -11.788 3.952 0.148 1.00 . A A . 10 ASP HB2 1 1
1 161 1 1 10 ASP HB3 H -11.290 3.561 1.794 1.00 . A A . 10 ASP HB3 1 1
1 162 1 1 10 ASP N N -10.090 2.129 -0.187 1.00 . A A . 10 ASP N 1 1
1 163 1 1 10 ASP O O -7.668 4.028 1.486 1.00 . A A . 10 ASP O 1 1
1 164 1 1 10 ASP OD1 O -10.992 6.352 0.274 1.00 . A A . 10 ASP OD1 1 1
1 165 1 1 10 ASP OD2 O -10.469 5.876 2.309 1.00 . A A . 10 ASP OD2 1 1
1 166 1 1 11 TRP C C -6.863 1.220 3.199 1.00 . A A . 11 TRP C 1 1
1 167 1 1 11 TRP CA C -7.915 2.292 3.539 1.00 . A A . 11 TRP CA 1 1
1 168 1 1 11 TRP CB C -8.757 1.907 4.771 1.00 . A A . 11 TRP CB 1 1
1 169 1 1 11 TRP CD1 C -10.067 -0.199 4.259 1.00 . A A . 11 TRP CD1 1 1
1 170 1 1 11 TRP CD2 C -8.203 -0.608 5.448 1.00 . A A . 11 TRP CD2 1 1
1 171 1 1 11 TRP CE2 C -8.829 -1.858 5.234 1.00 . A A . 11 TRP CE2 1 1
1 172 1 1 11 TRP CE3 C -7.001 -0.585 6.178 1.00 . A A . 11 TRP CE3 1 1
1 173 1 1 11 TRP CG C -9.006 0.429 4.815 1.00 . A A . 11 TRP CG 1 1
1 174 1 1 11 TRP CH2 C -7.089 -3.003 6.452 1.00 . A A . 11 TRP CH2 1 1
1 175 1 1 11 TRP CZ2 C -8.284 -3.043 5.728 1.00 . A A . 11 TRP CZ2 1 1
1 176 1 1 11 TRP CZ3 C -6.449 -1.776 6.677 1.00 . A A . 11 TRP CZ3 1 1
1 177 1 1 11 TRP H H -9.707 1.906 2.393 1.00 . A A . 11 TRP H 1 1
1 178 1 1 11 TRP HA H -7.421 3.234 3.726 1.00 . A A . 11 TRP HA 1 1
1 179 1 1 11 TRP HB2 H -8.230 2.202 5.666 1.00 . A A . 11 TRP HB2 1 1
1 180 1 1 11 TRP HB3 H -9.704 2.427 4.731 1.00 . A A . 11 TRP HB3 1 1
1 181 1 1 11 TRP HD1 H -10.864 0.281 3.709 1.00 . A A . 11 TRP HD1 1 1
1 182 1 1 11 TRP HE1 H -10.601 -2.236 4.205 1.00 . A A . 11 TRP HE1 1 1
1 183 1 1 11 TRP HE3 H -6.501 0.355 6.357 1.00 . A A . 11 TRP HE3 1 1
1 184 1 1 11 TRP HH2 H -6.660 -3.916 6.838 1.00 . A A . 11 TRP HH2 1 1
1 185 1 1 11 TRP HZ2 H -8.781 -3.985 5.551 1.00 . A A . 11 TRP HZ2 1 1
1 186 1 1 11 TRP HZ3 H -5.526 -1.747 7.237 1.00 . A A . 11 TRP HZ3 1 1
1 187 1 1 11 TRP N N -8.895 2.455 2.419 1.00 . A A . 11 TRP N 1 1
1 188 1 1 11 TRP NE1 N -9.961 -1.556 4.503 1.00 . A A . 11 TRP NE1 1 1
1 189 1 1 11 TRP O O -5.752 1.266 3.688 1.00 . A A . 11 TRP O 1 1
1 190 1 1 12 ILE C C -5.060 -0.167 1.179 1.00 . A A . 12 ILE C 1 1
1 191 1 1 12 ILE CA C -6.200 -0.793 1.992 1.00 . A A . 12 ILE CA 1 1
1 192 1 1 12 ILE CB C -6.979 -1.820 1.151 1.00 . A A . 12 ILE CB 1 1
1 193 1 1 12 ILE CD1 C -6.795 -3.600 2.919 1.00 . A A . 12 ILE CD1 1 1
1 194 1 1 12 ILE CG1 C -7.763 -2.756 2.081 1.00 . A A . 12 ILE CG1 1 1
1 195 1 1 12 ILE CG2 C -6.013 -2.647 0.293 1.00 . A A . 12 ILE CG2 1 1
1 196 1 1 12 ILE H H -8.097 0.246 1.968 1.00 . A A . 12 ILE H 1 1
1 197 1 1 12 ILE HA H -5.810 -1.264 2.881 1.00 . A A . 12 ILE HA 1 1
1 198 1 1 12 ILE HB H -7.670 -1.298 0.504 1.00 . A A . 12 ILE HB 1 1
1 199 1 1 12 ILE HD11 H -6.098 -4.104 2.266 1.00 . A A . 12 ILE HD11 1 1
1 200 1 1 12 ILE HD12 H -7.353 -4.331 3.484 1.00 . A A . 12 ILE HD12 1 1
1 201 1 1 12 ILE HD13 H -6.253 -2.958 3.598 1.00 . A A . 12 ILE HD13 1 1
1 202 1 1 12 ILE HG12 H -8.387 -2.168 2.738 1.00 . A A . 12 ILE HG12 1 1
1 203 1 1 12 ILE HG13 H -8.385 -3.410 1.489 1.00 . A A . 12 ILE HG13 1 1
1 204 1 1 12 ILE HG21 H -5.149 -2.917 0.882 1.00 . A A . 12 ILE HG21 1 1
1 205 1 1 12 ILE HG22 H -5.700 -2.065 -0.561 1.00 . A A . 12 ILE HG22 1 1
1 206 1 1 12 ILE HG23 H -6.511 -3.544 -0.047 1.00 . A A . 12 ILE HG23 1 1
1 207 1 1 12 ILE N N -7.197 0.264 2.360 1.00 . A A . 12 ILE N 1 1
1 208 1 1 12 ILE O O -3.899 -0.337 1.497 1.00 . A A . 12 ILE O 1 1
1 209 1 1 13 CYS C C -3.548 2.240 0.149 1.00 . A A . 13 CYS C 1 1
1 210 1 1 13 CYS CA C -4.323 1.214 -0.690 1.00 . A A . 13 CYS CA 1 1
1 211 1 1 13 CYS CB C -5.069 1.908 -1.833 1.00 . A A . 13 CYS CB 1 1
1 212 1 1 13 CYS H H -6.332 0.693 -0.089 1.00 . A A . 13 CYS H 1 1
1 213 1 1 13 CYS HA H -3.651 0.470 -1.088 1.00 . A A . 13 CYS HA 1 1
1 214 1 1 13 CYS HB2 H -5.771 1.218 -2.277 1.00 . A A . 13 CYS HB2 1 1
1 215 1 1 13 CYS HB3 H -5.603 2.765 -1.447 1.00 . A A . 13 CYS HB3 1 1
1 216 1 1 13 CYS HG H -3.496 1.670 -3.490 1.00 . A A . 13 CYS HG 1 1
1 217 1 1 13 CYS N N -5.386 0.565 0.140 1.00 . A A . 13 CYS N 1 1
1 218 1 1 13 CYS O O -2.345 2.369 0.023 1.00 . A A . 13 CYS O 1 1
1 219 1 1 13 CYS SG S -3.884 2.452 -3.089 1.00 . A A . 13 CYS SG 1 1
1 220 1 1 14 GLU C C -2.520 3.282 2.783 1.00 . A A . 14 GLU C 1 1
1 221 1 1 14 GLU CA C -3.535 3.976 1.864 1.00 . A A . 14 GLU CA 1 1
1 222 1 1 14 GLU CB C -4.649 4.635 2.685 1.00 . A A . 14 GLU CB 1 1
1 223 1 1 14 GLU CD C -5.293 6.716 3.914 1.00 . A A . 14 GLU CD 1 1
1 224 1 1 14 GLU CG C -4.119 5.910 3.350 1.00 . A A . 14 GLU CG 1 1
1 225 1 1 14 GLU H H -5.199 2.835 1.093 1.00 . A A . 14 GLU H 1 1
1 226 1 1 14 GLU HA H -3.044 4.714 1.250 1.00 . A A . 14 GLU HA 1 1
1 227 1 1 14 GLU HB2 H -5.474 4.886 2.034 1.00 . A A . 14 GLU HB2 1 1
1 228 1 1 14 GLU HB3 H -4.988 3.950 3.447 1.00 . A A . 14 GLU HB3 1 1
1 229 1 1 14 GLU HG2 H -3.445 5.644 4.151 1.00 . A A . 14 GLU HG2 1 1
1 230 1 1 14 GLU HG3 H -3.593 6.506 2.619 1.00 . A A . 14 GLU HG3 1 1
1 231 1 1 14 GLU N N -4.229 2.963 1.008 1.00 . A A . 14 GLU N 1 1
1 232 1 1 14 GLU O O -1.358 3.642 2.818 1.00 . A A . 14 GLU O 1 1
1 233 1 1 14 GLU OE1 O -5.950 6.220 4.816 1.00 . A A . 14 GLU OE1 1 1
1 234 1 1 14 GLU OE2 O -5.517 7.815 3.433 1.00 . A A . 14 GLU OE2 1 1
1 235 1 1 15 VAL C C -0.932 0.836 3.600 1.00 . A A . 15 VAL C 1 1
1 236 1 1 15 VAL CA C -2.011 1.552 4.427 1.00 . A A . 15 VAL CA 1 1
1 237 1 1 15 VAL CB C -2.887 0.543 5.183 1.00 . A A . 15 VAL CB 1 1
1 238 1 1 15 VAL CG1 C -2.005 -0.436 5.964 1.00 . A A . 15 VAL CG1 1 1
1 239 1 1 15 VAL CG2 C -3.796 1.292 6.162 1.00 . A A . 15 VAL CG2 1 1
1 240 1 1 15 VAL H H -3.891 2.006 3.462 1.00 . A A . 15 VAL H 1 1
1 241 1 1 15 VAL HA H -1.555 2.238 5.123 1.00 . A A . 15 VAL HA 1 1
1 242 1 1 15 VAL HB H -3.494 -0.006 4.477 1.00 . A A . 15 VAL HB 1 1
1 243 1 1 15 VAL HG11 H -2.624 -1.047 6.604 1.00 . A A . 15 VAL HG11 1 1
1 244 1 1 15 VAL HG12 H -1.300 0.117 6.568 1.00 . A A . 15 VAL HG12 1 1
1 245 1 1 15 VAL HG13 H -1.468 -1.069 5.273 1.00 . A A . 15 VAL HG13 1 1
1 246 1 1 15 VAL HG21 H -4.094 2.235 5.728 1.00 . A A . 15 VAL HG21 1 1
1 247 1 1 15 VAL HG22 H -3.261 1.474 7.083 1.00 . A A . 15 VAL HG22 1 1
1 248 1 1 15 VAL HG23 H -4.672 0.697 6.367 1.00 . A A . 15 VAL HG23 1 1
1 249 1 1 15 VAL N N -2.950 2.281 3.517 1.00 . A A . 15 VAL N 1 1
1 250 1 1 15 VAL O O 0.225 0.803 3.975 1.00 . A A . 15 VAL O 1 1
1 251 1 1 16 LEU C C 0.712 0.569 1.052 1.00 . A A . 16 LEU C 1 1
1 252 1 1 16 LEU CA C -0.306 -0.434 1.613 1.00 . A A . 16 LEU CA 1 1
1 253 1 1 16 LEU CB C -1.124 -1.065 0.481 1.00 . A A . 16 LEU CB 1 1
1 254 1 1 16 LEU CD1 C -1.099 -3.320 -0.603 1.00 . A A . 16 LEU CD1 1 1
1 255 1 1 16 LEU CD2 C 0.246 -1.454 -1.579 1.00 . A A . 16 LEU CD2 1 1
1 256 1 1 16 LEU CG C -0.262 -2.081 -0.277 1.00 . A A . 16 LEU CG 1 1
1 257 1 1 16 LEU H H -2.245 0.318 2.194 1.00 . A A . 16 LEU H 1 1
1 258 1 1 16 LEU HA H 0.198 -1.204 2.177 1.00 . A A . 16 LEU HA 1 1
1 259 1 1 16 LEU HB2 H -1.987 -1.565 0.897 1.00 . A A . 16 LEU HB2 1 1
1 260 1 1 16 LEU HB3 H -1.449 -0.293 -0.201 1.00 . A A . 16 LEU HB3 1 1
1 261 1 1 16 LEU HD11 H -1.922 -3.040 -1.244 1.00 . A A . 16 LEU HD11 1 1
1 262 1 1 16 LEU HD12 H -1.484 -3.745 0.312 1.00 . A A . 16 LEU HD12 1 1
1 263 1 1 16 LEU HD13 H -0.482 -4.048 -1.108 1.00 . A A . 16 LEU HD13 1 1
1 264 1 1 16 LEU HD21 H 0.484 -0.414 -1.409 1.00 . A A . 16 LEU HD21 1 1
1 265 1 1 16 LEU HD22 H -0.519 -1.529 -2.337 1.00 . A A . 16 LEU HD22 1 1
1 266 1 1 16 LEU HD23 H 1.131 -1.977 -1.908 1.00 . A A . 16 LEU HD23 1 1
1 267 1 1 16 LEU HG H 0.580 -2.369 0.338 1.00 . A A . 16 LEU HG 1 1
1 268 1 1 16 LEU N N -1.305 0.271 2.475 1.00 . A A . 16 LEU N 1 1
1 269 1 1 16 LEU O O 1.893 0.288 0.983 1.00 . A A . 16 LEU O 1 1
1 270 1 1 17 SER C C 2.218 3.186 1.167 1.00 . A A . 17 SER C 1 1
1 271 1 1 17 SER CA C 1.198 2.768 0.102 1.00 . A A . 17 SER CA 1 1
1 272 1 1 17 SER CB C 0.315 3.956 -0.286 1.00 . A A . 17 SER CB 1 1
1 273 1 1 17 SER H H -0.699 1.939 0.725 1.00 . A A . 17 SER H 1 1
1 274 1 1 17 SER HA H 1.702 2.385 -0.770 1.00 . A A . 17 SER HA 1 1
1 275 1 1 17 SER HB2 H -0.558 3.981 0.343 1.00 . A A . 17 SER HB2 1 1
1 276 1 1 17 SER HB3 H 0.873 4.875 -0.159 1.00 . A A . 17 SER HB3 1 1
1 277 1 1 17 SER HG H -1.032 3.987 -1.691 1.00 . A A . 17 SER HG 1 1
1 278 1 1 17 SER N N 0.260 1.739 0.656 1.00 . A A . 17 SER N 1 1
1 279 1 1 17 SER O O 3.397 3.308 0.889 1.00 . A A . 17 SER O 1 1
1 280 1 1 17 SER OG O -0.087 3.817 -1.642 1.00 . A A . 17 SER OG 1 1
1 281 1 1 18 ASP C C 3.788 2.709 3.653 1.00 . A A . 18 ASP C 1 1
1 282 1 1 18 ASP CA C 2.722 3.796 3.469 1.00 . A A . 18 ASP CA 1 1
1 283 1 1 18 ASP CB C 1.860 3.929 4.728 1.00 . A A . 18 ASP CB 1 1
1 284 1 1 18 ASP CG C 2.730 4.396 5.898 1.00 . A A . 18 ASP CG 1 1
1 285 1 1 18 ASP H H 0.820 3.286 2.583 1.00 . A A . 18 ASP H 1 1
1 286 1 1 18 ASP HA H 3.185 4.743 3.237 1.00 . A A . 18 ASP HA 1 1
1 287 1 1 18 ASP HB2 H 1.075 4.650 4.552 1.00 . A A . 18 ASP HB2 1 1
1 288 1 1 18 ASP HB3 H 1.422 2.971 4.968 1.00 . A A . 18 ASP HB3 1 1
1 289 1 1 18 ASP N N 1.775 3.398 2.383 1.00 . A A . 18 ASP N 1 1
1 290 1 1 18 ASP O O 4.965 2.995 3.765 1.00 . A A . 18 ASP O 1 1
1 291 1 1 18 ASP OD1 O 3.081 5.565 5.921 1.00 . A A . 18 ASP OD1 1 1
1 292 1 1 18 ASP OD2 O 3.030 3.578 6.751 1.00 . A A . 18 ASP OD2 1 1
1 293 1 1 19 PHE C C 5.277 0.271 2.594 1.00 . A A . 19 PHE C 1 1
1 294 1 1 19 PHE CA C 4.364 0.347 3.826 1.00 . A A . 19 PHE CA 1 1
1 295 1 1 19 PHE CB C 3.519 -0.924 3.954 1.00 . A A . 19 PHE CB 1 1
1 296 1 1 19 PHE CD1 C 4.250 -2.036 6.096 1.00 . A A . 19 PHE CD1 1 1
1 297 1 1 19 PHE CD2 C 5.090 -2.896 3.990 1.00 . A A . 19 PHE CD2 1 1
1 298 1 1 19 PHE CE1 C 4.980 -3.011 6.786 1.00 . A A . 19 PHE CE1 1 1
1 299 1 1 19 PHE CE2 C 5.819 -3.871 4.680 1.00 . A A . 19 PHE CE2 1 1
1 300 1 1 19 PHE CG C 4.304 -1.978 4.698 1.00 . A A . 19 PHE CG 1 1
1 301 1 1 19 PHE CZ C 5.764 -3.929 6.077 1.00 . A A . 19 PHE CZ 1 1
1 302 1 1 19 PHE H H 2.425 1.260 3.562 1.00 . A A . 19 PHE H 1 1
1 303 1 1 19 PHE HA H 4.951 0.490 4.720 1.00 . A A . 19 PHE HA 1 1
1 304 1 1 19 PHE HB2 H 2.611 -0.700 4.497 1.00 . A A . 19 PHE HB2 1 1
1 305 1 1 19 PHE HB3 H 3.268 -1.290 2.970 1.00 . A A . 19 PHE HB3 1 1
1 306 1 1 19 PHE HD1 H 3.644 -1.328 6.643 1.00 . A A . 19 PHE HD1 1 1
1 307 1 1 19 PHE HD2 H 5.132 -2.851 2.912 1.00 . A A . 19 PHE HD2 1 1
1 308 1 1 19 PHE HE1 H 4.938 -3.055 7.864 1.00 . A A . 19 PHE HE1 1 1
1 309 1 1 19 PHE HE2 H 6.424 -4.579 4.133 1.00 . A A . 19 PHE HE2 1 1
1 310 1 1 19 PHE HZ H 6.328 -4.681 6.609 1.00 . A A . 19 PHE HZ 1 1
1 311 1 1 19 PHE N N 3.380 1.462 3.667 1.00 . A A . 19 PHE N 1 1
1 312 1 1 19 PHE O O 6.446 -0.050 2.702 1.00 . A A . 19 PHE O 1 1
1 313 1 1 20 LYS C C 6.761 1.522 0.331 1.00 . A A . 20 LYS C 1 1
1 314 1 1 20 LYS CA C 5.590 0.542 0.188 1.00 . A A . 20 LYS CA 1 1
1 315 1 1 20 LYS CB C 4.656 0.976 -0.948 1.00 . A A . 20 LYS CB 1 1
1 316 1 1 20 LYS CD C 3.636 0.172 -3.088 1.00 . A A . 20 LYS CD 1 1
1 317 1 1 20 LYS CE C 4.050 0.921 -4.361 1.00 . A A . 20 LYS CE 1 1
1 318 1 1 20 LYS CG C 4.840 0.043 -2.148 1.00 . A A . 20 LYS CG 1 1
1 319 1 1 20 LYS H H 3.809 0.842 1.372 1.00 . A A . 20 LYS H 1 1
1 320 1 1 20 LYS HA H 5.954 -0.457 0.009 1.00 . A A . 20 LYS HA 1 1
1 321 1 1 20 LYS HB2 H 3.631 0.931 -0.610 1.00 . A A . 20 LYS HB2 1 1
1 322 1 1 20 LYS HB3 H 4.893 1.988 -1.242 1.00 . A A . 20 LYS HB3 1 1
1 323 1 1 20 LYS HD2 H 3.279 -0.814 -3.350 1.00 . A A . 20 LYS HD2 1 1
1 324 1 1 20 LYS HD3 H 2.849 0.719 -2.592 1.00 . A A . 20 LYS HD3 1 1
1 325 1 1 20 LYS HE2 H 3.179 1.332 -4.852 1.00 . A A . 20 LYS HE2 1 1
1 326 1 1 20 LYS HE3 H 4.753 1.705 -4.123 1.00 . A A . 20 LYS HE3 1 1
1 327 1 1 20 LYS HG2 H 5.743 0.312 -2.678 1.00 . A A . 20 LYS HG2 1 1
1 328 1 1 20 LYS HG3 H 4.916 -0.977 -1.802 1.00 . A A . 20 LYS HG3 1 1
1 329 1 1 20 LYS HZ1 H 5.528 -0.502 -4.734 1.00 . A A . 20 LYS HZ1 1 1
1 330 1 1 20 LYS HZ2 H 5.008 0.338 -6.117 1.00 . A A . 20 LYS HZ2 1 1
1 331 1 1 20 LYS HZ3 H 4.025 -0.868 -5.433 1.00 . A A . 20 LYS HZ3 1 1
1 332 1 1 20 LYS N N 4.753 0.578 1.428 1.00 . A A . 20 LYS N 1 1
1 333 1 1 20 LYS NZ N 4.702 -0.105 -5.226 1.00 . A A . 20 LYS NZ 1 1
1 334 1 1 20 LYS O O 7.891 1.198 0.020 1.00 . A A . 20 LYS O 1 1
1 335 1 1 21 THR C C 8.588 3.183 2.053 1.00 . A A . 21 THR C 1 1
1 336 1 1 21 THR CA C 7.596 3.710 1.010 1.00 . A A . 21 THR CA 1 1
1 337 1 1 21 THR CB C 6.910 4.984 1.520 1.00 . A A . 21 THR CB 1 1
1 338 1 1 21 THR CG2 C 7.889 6.158 1.456 1.00 . A A . 21 THR CG2 1 1
1 339 1 1 21 THR H H 5.578 2.941 1.078 1.00 . A A . 21 THR H 1 1
1 340 1 1 21 THR HA H 8.096 3.905 0.075 1.00 . A A . 21 THR HA 1 1
1 341 1 1 21 THR HB H 6.597 4.840 2.543 1.00 . A A . 21 THR HB 1 1
1 342 1 1 21 THR HG1 H 4.997 5.258 1.277 1.00 . A A . 21 THR HG1 1 1
1 343 1 1 21 THR HG21 H 8.891 5.803 1.648 1.00 . A A . 21 THR HG21 1 1
1 344 1 1 21 THR HG22 H 7.619 6.893 2.200 1.00 . A A . 21 THR HG22 1 1
1 345 1 1 21 THR HG23 H 7.849 6.608 0.475 1.00 . A A . 21 THR HG23 1 1
1 346 1 1 21 THR N N 6.497 2.711 0.820 1.00 . A A . 21 THR N 1 1
1 347 1 1 21 THR O O 9.788 3.291 1.891 1.00 . A A . 21 THR O 1 1
1 348 1 1 21 THR OG1 O 5.775 5.272 0.713 1.00 . A A . 21 THR OG1 1 1
1 349 1 1 22 TRP C C 9.830 0.903 3.602 1.00 . A A . 22 TRP C 1 1
1 350 1 1 22 TRP CA C 8.983 2.047 4.178 1.00 . A A . 22 TRP CA 1 1
1 351 1 1 22 TRP CB C 8.031 1.530 5.264 1.00 . A A . 22 TRP CB 1 1
1 352 1 1 22 TRP CD1 C 9.415 1.349 7.373 1.00 . A A . 22 TRP CD1 1 1
1 353 1 1 22 TRP CD2 C 9.041 -0.650 6.411 1.00 . A A . 22 TRP CD2 1 1
1 354 1 1 22 TRP CE2 C 9.817 -0.895 7.568 1.00 . A A . 22 TRP CE2 1 1
1 355 1 1 22 TRP CE3 C 8.667 -1.751 5.619 1.00 . A A . 22 TRP CE3 1 1
1 356 1 1 22 TRP CG C 8.799 0.784 6.310 1.00 . A A . 22 TRP CG 1 1
1 357 1 1 22 TRP CH2 C 9.826 -3.267 7.129 1.00 . A A . 22 TRP CH2 1 1
1 358 1 1 22 TRP CZ2 C 10.207 -2.186 7.927 1.00 . A A . 22 TRP CZ2 1 1
1 359 1 1 22 TRP CZ3 C 9.058 -3.051 5.977 1.00 . A A . 22 TRP CZ3 1 1
1 360 1 1 22 TRP H H 7.113 2.522 3.214 1.00 . A A . 22 TRP H 1 1
1 361 1 1 22 TRP HA H 9.617 2.822 4.579 1.00 . A A . 22 TRP HA 1 1
1 362 1 1 22 TRP HB2 H 7.523 2.366 5.722 1.00 . A A . 22 TRP HB2 1 1
1 363 1 1 22 TRP HB3 H 7.301 0.871 4.816 1.00 . A A . 22 TRP HB3 1 1
1 364 1 1 22 TRP HD1 H 9.431 2.405 7.601 1.00 . A A . 22 TRP HD1 1 1
1 365 1 1 22 TRP HE1 H 10.531 0.499 8.942 1.00 . A A . 22 TRP HE1 1 1
1 366 1 1 22 TRP HE3 H 8.075 -1.595 4.729 1.00 . A A . 22 TRP HE3 1 1
1 367 1 1 22 TRP HH2 H 10.123 -4.270 7.399 1.00 . A A . 22 TRP HH2 1 1
1 368 1 1 22 TRP HZ2 H 10.799 -2.348 8.817 1.00 . A A . 22 TRP HZ2 1 1
1 369 1 1 22 TRP HZ3 H 8.764 -3.888 5.362 1.00 . A A . 22 TRP HZ3 1 1
1 370 1 1 22 TRP N N 8.086 2.602 3.117 1.00 . A A . 22 TRP N 1 1
1 371 1 1 22 TRP NE1 N 10.019 0.355 8.120 1.00 . A A . 22 TRP NE1 1 1
1 372 1 1 22 TRP O O 11.019 0.819 3.846 1.00 . A A . 22 TRP O 1 1
1 373 1 1 23 LEU C C 10.928 -0.611 1.144 1.00 . A A . 23 LEU C 1 1
1 374 1 1 23 LEU CA C 9.984 -1.115 2.243 1.00 . A A . 23 LEU CA 1 1
1 375 1 1 23 LEU CB C 8.922 -2.049 1.652 1.00 . A A . 23 LEU CB 1 1
1 376 1 1 23 LEU CD1 C 7.963 -4.350 1.833 1.00 . A A . 23 LEU CD1 1 1
1 377 1 1 23 LEU CD2 C 10.383 -4.047 1.292 1.00 . A A . 23 LEU CD2 1 1
1 378 1 1 23 LEU CG C 9.201 -3.489 2.090 1.00 . A A . 23 LEU CG 1 1
1 379 1 1 23 LEU H H 8.262 0.120 2.659 1.00 . A A . 23 LEU H 1 1
1 380 1 1 23 LEU HA H 10.542 -1.632 3.008 1.00 . A A . 23 LEU HA 1 1
1 381 1 1 23 LEU HB2 H 7.944 -1.750 2.001 1.00 . A A . 23 LEU HB2 1 1
1 382 1 1 23 LEU HB3 H 8.951 -1.991 0.574 1.00 . A A . 23 LEU HB3 1 1
1 383 1 1 23 LEU HD11 H 7.074 -3.782 2.065 1.00 . A A . 23 LEU HD11 1 1
1 384 1 1 23 LEU HD12 H 8.001 -5.230 2.458 1.00 . A A . 23 LEU HD12 1 1
1 385 1 1 23 LEU HD13 H 7.940 -4.647 0.795 1.00 . A A . 23 LEU HD13 1 1
1 386 1 1 23 LEU HD21 H 10.123 -4.087 0.244 1.00 . A A . 23 LEU HD21 1 1
1 387 1 1 23 LEU HD22 H 10.616 -5.042 1.642 1.00 . A A . 23 LEU HD22 1 1
1 388 1 1 23 LEU HD23 H 11.243 -3.408 1.426 1.00 . A A . 23 LEU HD23 1 1
1 389 1 1 23 LEU HG H 9.437 -3.505 3.145 1.00 . A A . 23 LEU HG 1 1
1 390 1 1 23 LEU N N 9.223 0.026 2.840 1.00 . A A . 23 LEU N 1 1
1 391 1 1 23 LEU O O 12.089 -0.967 1.109 1.00 . A A . 23 LEU O 1 1
1 392 1 1 24 LYS C C 12.459 1.590 -0.267 1.00 . A A . 24 LYS C 1 1
1 393 1 1 24 LYS CA C 11.313 0.748 -0.846 1.00 . A A . 24 LYS CA 1 1
1 394 1 1 24 LYS CB C 10.395 1.616 -1.712 1.00 . A A . 24 LYS CB 1 1
1 395 1 1 24 LYS CD C 11.200 3.354 -3.326 1.00 . A A . 24 LYS CD 1 1
1 396 1 1 24 LYS CE C 12.244 3.590 -4.423 1.00 . A A . 24 LYS CE 1 1
1 397 1 1 24 LYS CG C 11.045 1.850 -3.080 1.00 . A A . 24 LYS CG 1 1
1 398 1 1 24 LYS H H 9.499 0.493 0.304 1.00 . A A . 24 LYS H 1 1
1 399 1 1 24 LYS HA H 11.708 -0.066 -1.434 1.00 . A A . 24 LYS HA 1 1
1 400 1 1 24 LYS HB2 H 9.447 1.114 -1.845 1.00 . A A . 24 LYS HB2 1 1
1 401 1 1 24 LYS HB3 H 10.233 2.565 -1.224 1.00 . A A . 24 LYS HB3 1 1
1 402 1 1 24 LYS HD2 H 10.250 3.767 -3.635 1.00 . A A . 24 LYS HD2 1 1
1 403 1 1 24 LYS HD3 H 11.522 3.837 -2.415 1.00 . A A . 24 LYS HD3 1 1
1 404 1 1 24 LYS HE2 H 13.241 3.537 -4.007 1.00 . A A . 24 LYS HE2 1 1
1 405 1 1 24 LYS HE3 H 12.127 2.867 -5.215 1.00 . A A . 24 LYS HE3 1 1
1 406 1 1 24 LYS HG2 H 12.019 1.380 -3.101 1.00 . A A . 24 LYS HG2 1 1
1 407 1 1 24 LYS HG3 H 10.423 1.424 -3.852 1.00 . A A . 24 LYS HG3 1 1
1 408 1 1 24 LYS HZ1 H 11.025 4.986 -5.379 1.00 . A A . 24 LYS HZ1 1 1
1 409 1 1 24 LYS HZ2 H 12.686 5.215 -5.648 1.00 . A A . 24 LYS HZ2 1 1
1 410 1 1 24 LYS HZ3 H 11.999 5.644 -4.155 1.00 . A A . 24 LYS HZ3 1 1
1 411 1 1 24 LYS N N 10.440 0.218 0.251 1.00 . A A . 24 LYS N 1 1
1 412 1 1 24 LYS NZ N 11.967 4.962 -4.940 1.00 . A A . 24 LYS NZ 1 1
1 413 1 1 24 LYS O O 13.541 1.636 -0.821 1.00 . A A . 24 LYS O 1 1
1 414 1 1 25 ALA C C 14.495 2.223 1.889 1.00 . A A . 25 ALA C 1 1
1 415 1 1 25 ALA CA C 13.306 3.095 1.457 1.00 . A A . 25 ALA CA 1 1
1 416 1 1 25 ALA CB C 12.658 3.753 2.677 1.00 . A A . 25 ALA CB 1 1
1 417 1 1 25 ALA H H 11.347 2.204 1.270 1.00 . A A . 25 ALA H 1 1
1 418 1 1 25 ALA HA H 13.631 3.853 0.763 1.00 . A A . 25 ALA HA 1 1
1 419 1 1 25 ALA HB1 H 12.151 3.001 3.265 1.00 . A A . 25 ALA HB1 1 1
1 420 1 1 25 ALA HB2 H 11.944 4.495 2.350 1.00 . A A . 25 ALA HB2 1 1
1 421 1 1 25 ALA HB3 H 13.420 4.227 3.278 1.00 . A A . 25 ALA HB3 1 1
1 422 1 1 25 ALA N N 12.229 2.256 0.842 1.00 . A A . 25 ALA N 1 1
1 423 1 1 25 ALA O O 15.631 2.653 1.843 1.00 . A A . 25 ALA O 1 1
1 424 1 1 26 LYS C C 15.587 -1.037 1.750 1.00 . A A . 26 LYS C 1 1
1 425 1 1 26 LYS CA C 15.363 0.113 2.750 1.00 . A A . 26 LYS CA 1 1
1 426 1 1 26 LYS CB C 14.921 -0.430 4.117 1.00 . A A . 26 LYS CB 1 1
1 427 1 1 26 LYS CD C 12.942 -1.496 5.231 1.00 . A A . 26 LYS CD 1 1
1 428 1 1 26 LYS CE C 13.066 -2.894 5.850 1.00 . A A . 26 LYS CE 1 1
1 429 1 1 26 LYS CG C 13.767 -1.428 3.942 1.00 . A A . 26 LYS CG 1 1
1 430 1 1 26 LYS H H 13.318 0.682 2.343 1.00 . A A . 26 LYS H 1 1
1 431 1 1 26 LYS HA H 16.270 0.685 2.865 1.00 . A A . 26 LYS HA 1 1
1 432 1 1 26 LYS HB2 H 15.755 -0.927 4.590 1.00 . A A . 26 LYS HB2 1 1
1 433 1 1 26 LYS HB3 H 14.593 0.389 4.738 1.00 . A A . 26 LYS HB3 1 1
1 434 1 1 26 LYS HD2 H 13.305 -0.757 5.931 1.00 . A A . 26 LYS HD2 1 1
1 435 1 1 26 LYS HD3 H 11.906 -1.297 5.005 1.00 . A A . 26 LYS HD3 1 1
1 436 1 1 26 LYS HE2 H 12.135 -3.177 6.321 1.00 . A A . 26 LYS HE2 1 1
1 437 1 1 26 LYS HE3 H 13.341 -3.616 5.097 1.00 . A A . 26 LYS HE3 1 1
1 438 1 1 26 LYS HG2 H 13.134 -1.106 3.128 1.00 . A A . 26 LYS HG2 1 1
1 439 1 1 26 LYS HG3 H 14.167 -2.405 3.720 1.00 . A A . 26 LYS HG3 1 1
1 440 1 1 26 LYS HZ1 H 14.306 -3.706 7.315 1.00 . A A . 26 LYS HZ1 1 1
1 441 1 1 26 LYS HZ2 H 13.875 -2.086 7.594 1.00 . A A . 26 LYS HZ2 1 1
1 442 1 1 26 LYS HZ3 H 15.029 -2.470 6.407 1.00 . A A . 26 LYS HZ3 1 1
1 443 1 1 26 LYS N N 14.243 1.006 2.311 1.00 . A A . 26 LYS N 1 1
1 444 1 1 26 LYS NZ N 14.151 -2.780 6.868 1.00 . A A . 26 LYS NZ 1 1
1 445 1 1 26 LYS O O 16.252 -2.009 2.061 1.00 . A A . 26 LYS O 1 1
1 446 1 1 27 LEU C C 15.887 -1.489 -1.722 1.00 . A A . 27 LEU C 1 1
1 447 1 1 27 LEU CA C 15.234 -2.035 -0.444 1.00 . A A . 27 LEU CA 1 1
1 448 1 1 27 LEU CB C 13.821 -2.558 -0.729 1.00 . A A . 27 LEU CB 1 1
1 449 1 1 27 LEU CD1 C 14.195 -4.987 -0.253 1.00 . A A . 27 LEU CD1 1 1
1 450 1 1 27 LEU CD2 C 12.561 -4.294 -2.011 1.00 . A A . 27 LEU CD2 1 1
1 451 1 1 27 LEU CG C 13.899 -3.958 -1.347 1.00 . A A . 27 LEU CG 1 1
1 452 1 1 27 LEU H H 14.512 -0.152 0.322 1.00 . A A . 27 LEU H 1 1
1 453 1 1 27 LEU HA H 15.837 -2.825 -0.025 1.00 . A A . 27 LEU HA 1 1
1 454 1 1 27 LEU HB2 H 13.263 -2.605 0.194 1.00 . A A . 27 LEU HB2 1 1
1 455 1 1 27 LEU HB3 H 13.322 -1.891 -1.416 1.00 . A A . 27 LEU HB3 1 1
1 456 1 1 27 LEU HD11 H 13.551 -4.807 0.595 1.00 . A A . 27 LEU HD11 1 1
1 457 1 1 27 LEU HD12 H 15.227 -4.899 0.055 1.00 . A A . 27 LEU HD12 1 1
1 458 1 1 27 LEU HD13 H 14.018 -5.981 -0.636 1.00 . A A . 27 LEU HD13 1 1
1 459 1 1 27 LEU HD21 H 11.753 -3.893 -1.417 1.00 . A A . 27 LEU HD21 1 1
1 460 1 1 27 LEU HD22 H 12.455 -5.366 -2.086 1.00 . A A . 27 LEU HD22 1 1
1 461 1 1 27 LEU HD23 H 12.531 -3.860 -3.000 1.00 . A A . 27 LEU HD23 1 1
1 462 1 1 27 LEU HG H 14.686 -3.982 -2.086 1.00 . A A . 27 LEU HG 1 1
1 463 1 1 27 LEU N N 15.044 -0.941 0.558 1.00 . A A . 27 LEU N 1 1
1 464 1 1 27 LEU O O 15.488 -1.817 -2.824 1.00 . A A . 27 LEU O 1 1
1 465 1 1 28 MET C C 19.115 -0.191 -2.603 1.00 . A A . 28 MET C 1 1
1 466 1 1 28 MET CA C 17.590 -0.102 -2.784 1.00 . A A . 28 MET CA 1 1
1 467 1 1 28 MET CB C 17.137 1.362 -2.864 1.00 . A A . 28 MET CB 1 1
1 468 1 1 28 MET CE C 14.271 0.965 -5.547 1.00 . A A . 28 MET CE 1 1
1 469 1 1 28 MET CG C 15.657 1.428 -3.258 1.00 . A A . 28 MET CG 1 1
1 470 1 1 28 MET H H 17.208 -0.421 -0.684 1.00 . A A . 28 MET H 1 1
1 471 1 1 28 MET HA H 17.287 -0.631 -3.675 1.00 . A A . 28 MET HA 1 1
1 472 1 1 28 MET HB2 H 17.275 1.832 -1.902 1.00 . A A . 28 MET HB2 1 1
1 473 1 1 28 MET HB3 H 17.727 1.880 -3.605 1.00 . A A . 28 MET HB3 1 1
1 474 1 1 28 MET HE1 H 14.009 1.231 -6.562 1.00 . A A . 28 MET HE1 1 1
1 475 1 1 28 MET HE2 H 13.388 1.001 -4.929 1.00 . A A . 28 MET HE2 1 1
1 476 1 1 28 MET HE3 H 14.682 -0.035 -5.525 1.00 . A A . 28 MET HE3 1 1
1 477 1 1 28 MET HG2 H 15.236 0.434 -3.250 1.00 . A A . 28 MET HG2 1 1
1 478 1 1 28 MET HG3 H 15.126 2.049 -2.551 1.00 . A A . 28 MET HG3 1 1
1 479 1 1 28 MET N N 16.898 -0.665 -1.582 1.00 . A A . 28 MET N 1 1
1 480 1 1 28 MET O O 19.783 0.818 -2.469 1.00 . A A . 28 MET O 1 1
1 481 1 1 28 MET SD S 15.500 2.135 -4.917 1.00 . A A . 28 MET SD 1 1
1 482 1 1 29 PRO C C 21.849 -1.258 -3.705 1.00 . A A . 29 PRO C 1 1
1 483 1 1 29 PRO CA C 21.080 -1.630 -2.427 1.00 . A A . 29 PRO CA 1 1
1 484 1 1 29 PRO CB C 21.183 -3.127 -2.144 1.00 . A A . 29 PRO CB 1 1
1 485 1 1 29 PRO CD C 18.884 -2.673 -2.752 1.00 . A A . 29 PRO CD 1 1
1 486 1 1 29 PRO CG C 19.960 -3.730 -2.760 1.00 . A A . 29 PRO CG 1 1
1 487 1 1 29 PRO HA H 21.451 -1.071 -1.584 1.00 . A A . 29 PRO HA 1 1
1 488 1 1 29 PRO HB2 H 22.075 -3.533 -2.600 1.00 . A A . 29 PRO HB2 1 1
1 489 1 1 29 PRO HB3 H 21.187 -3.309 -1.081 1.00 . A A . 29 PRO HB3 1 1
1 490 1 1 29 PRO HD2 H 18.336 -2.687 -3.684 1.00 . A A . 29 PRO HD2 1 1
1 491 1 1 29 PRO HD3 H 18.217 -2.818 -1.916 1.00 . A A . 29 PRO HD3 1 1
1 492 1 1 29 PRO HG2 H 20.172 -4.034 -3.776 1.00 . A A . 29 PRO HG2 1 1
1 493 1 1 29 PRO HG3 H 19.636 -4.580 -2.180 1.00 . A A . 29 PRO HG3 1 1
1 494 1 1 29 PRO N N 19.618 -1.407 -2.599 1.00 . A A . 29 PRO N 1 1
1 495 1 1 29 PRO O O 22.873 -0.602 -3.649 1.00 . A A . 29 PRO O 1 1
1 496 1 1 30 GLN C C 21.055 -0.895 -7.187 1.00 . A A . 30 GLN C 1 1
1 497 1 1 30 GLN CA C 22.069 -1.352 -6.131 1.00 . A A . 30 GLN CA 1 1
1 498 1 1 30 GLN CB C 22.740 -2.662 -6.558 1.00 . A A . 30 GLN CB 1 1
1 499 1 1 30 GLN CD C 24.140 -3.710 -4.763 1.00 . A A . 30 GLN CD 1 1
1 500 1 1 30 GLN CG C 24.145 -2.744 -5.953 1.00 . A A . 30 GLN CG 1 1
1 501 1 1 30 GLN H H 20.543 -2.205 -4.870 1.00 . A A . 30 GLN H 1 1
1 502 1 1 30 GLN HA H 22.816 -0.590 -5.970 1.00 . A A . 30 GLN HA 1 1
1 503 1 1 30 GLN HB2 H 22.148 -3.498 -6.214 1.00 . A A . 30 GLN HB2 1 1
1 504 1 1 30 GLN HB3 H 22.812 -2.693 -7.635 1.00 . A A . 30 GLN HB3 1 1
1 505 1 1 30 GLN HE21 H 24.606 -2.306 -3.436 1.00 . A A . 30 GLN HE21 1 1
1 506 1 1 30 GLN HE22 H 24.409 -3.869 -2.802 1.00 . A A . 30 GLN HE22 1 1
1 507 1 1 30 GLN HG2 H 24.837 -3.101 -6.702 1.00 . A A . 30 GLN HG2 1 1
1 508 1 1 30 GLN HG3 H 24.451 -1.765 -5.618 1.00 . A A . 30 GLN HG3 1 1
1 509 1 1 30 GLN N N 21.367 -1.676 -4.851 1.00 . A A . 30 GLN N 1 1
1 510 1 1 30 GLN NE2 N 24.406 -3.257 -3.568 1.00 . A A . 30 GLN NE2 1 1
1 511 1 1 30 GLN O O 20.122 -1.606 -7.509 1.00 . A A . 30 GLN O 1 1
1 512 1 1 30 GLN OE1 O 23.892 -4.888 -4.923 1.00 . A A . 30 GLN OE1 1 1
1 513 1 1 31 LEU C C 21.042 1.567 -9.852 1.00 . A A . 31 LEU C 1 1
1 514 1 1 31 LEU CA C 20.283 0.798 -8.761 1.00 . A A . 31 LEU CA 1 1
1 515 1 1 31 LEU CB C 19.333 1.733 -8.004 1.00 . A A . 31 LEU CB 1 1
1 516 1 1 31 LEU CD1 C 17.491 0.317 -7.074 1.00 . A A . 31 LEU CD1 1 1
1 517 1 1 31 LEU CD2 C 16.958 2.486 -8.194 1.00 . A A . 31 LEU CD2 1 1
1 518 1 1 31 LEU CG C 17.888 1.270 -8.205 1.00 . A A . 31 LEU CG 1 1
1 519 1 1 31 LEU H H 21.994 0.840 -7.447 1.00 . A A . 31 LEU H 1 1
1 520 1 1 31 LEU HA H 19.727 -0.018 -9.196 1.00 . A A . 31 LEU HA 1 1
1 521 1 1 31 LEU HB2 H 19.575 1.716 -6.951 1.00 . A A . 31 LEU HB2 1 1
1 522 1 1 31 LEU HB3 H 19.442 2.739 -8.381 1.00 . A A . 31 LEU HB3 1 1
1 523 1 1 31 LEU HD11 H 16.428 0.133 -7.115 1.00 . A A . 31 LEU HD11 1 1
1 524 1 1 31 LEU HD12 H 17.744 0.762 -6.123 1.00 . A A . 31 LEU HD12 1 1
1 525 1 1 31 LEU HD13 H 18.023 -0.616 -7.188 1.00 . A A . 31 LEU HD13 1 1
1 526 1 1 31 LEU HD21 H 17.228 3.152 -9.000 1.00 . A A . 31 LEU HD21 1 1
1 527 1 1 31 LEU HD22 H 17.053 3.004 -7.252 1.00 . A A . 31 LEU HD22 1 1
1 528 1 1 31 LEU HD23 H 15.937 2.159 -8.324 1.00 . A A . 31 LEU HD23 1 1
1 529 1 1 31 LEU HG H 17.802 0.758 -9.152 1.00 . A A . 31 LEU HG 1 1
1 530 1 1 31 LEU N N 21.234 0.287 -7.725 1.00 . A A . 31 LEU N 1 1
1 531 1 1 31 LEU O O 20.778 1.314 -11.016 1.00 . A A . 31 LEU O 1 1
1 532 1 1 31 LEU OXT O 21.871 2.395 -9.506 1.00 . A A . 31 LEU OXT 1 1
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