NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
395497 |
1rws   |
6187 | cing | 4-filtered-FRED | STAR | entry | full | 478 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1rws
# This FRED archive file contains, for PDB entry <1rws>:
#
# - 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_1rws
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1rws
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4549.65
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 $hypothetical_protein_PF1061 A . 1 1
stop_
save_
save_hypothetical_protein_PF1061
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "hypothetical protein PF1061"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code AHHHHHHGSKMIKVKVIGRNIEKEIEWREGMKVRDILRAVGFNTESAIAKVNGKVVLEDDEVKDGDFVEVIPVVSGG
_Entity.Number_of_monomers 77
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 ALA . 1 1
2 HIS . 1 1
3 HIS . 1 1
4 HIS . 1 1
5 HIS . 1 1
6 HIS . 1 1
7 HIS . 1 1
8 GLY . 1 1
9 SER . 1 1
10 LYS . 1 1
11 MET . 1 1
12 ILE . 1 1
13 LYS . 1 1
14 VAL . 1 1
15 LYS . 1 1
16 VAL . 1 1
17 ILE . 1 1
18 GLY . 1 1
19 ARG . 1 1
20 ASN . 1 1
21 ILE . 1 1
22 GLU . 1 1
23 LYS . 1 1
24 GLU . 1 1
25 ILE . 1 1
26 GLU . 1 1
27 TRP . 1 1
28 ARG . 1 1
29 GLU . 1 1
30 GLY . 1 1
31 MET . 1 1
32 LYS . 1 1
33 VAL . 1 1
34 ARG . 1 1
35 ASP . 1 1
36 ILE . 1 1
37 LEU . 1 1
38 ARG . 1 1
39 ALA . 1 1
40 VAL . 1 1
41 GLY . 1 1
42 PHE . 1 1
43 ASN . 1 1
44 THR . 1 1
45 GLU . 1 1
46 SER . 1 1
47 ALA . 1 1
48 ILE . 1 1
49 ALA . 1 1
50 LYS . 1 1
51 VAL . 1 1
52 ASN . 1 1
53 GLY . 1 1
54 LYS . 1 1
55 VAL . 1 1
56 VAL . 1 1
57 LEU . 1 1
58 GLU . 1 1
59 ASP . 1 1
60 ASP . 1 1
61 GLU . 1 1
62 VAL . 1 1
63 LYS . 1 1
64 ASP . 1 1
65 GLY . 1 1
66 ASP . 1 1
67 PHE . 1 1
68 VAL . 1 1
69 GLU . 1 1
70 VAL . 1 1
71 ILE . 1 1
72 PRO . 1 1
73 VAL . 1 1
74 VAL . 1 1
75 SER . 1 1
76 GLY . 1 1
77 GLY . 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
ALA 1 1 1 1
HIS 2 2 1 1
HIS 3 3 1 1
HIS 4 4 1 1
HIS 5 5 1 1
HIS 6 6 1 1
HIS 7 7 1 1
GLY 8 8 1 1
SER 9 9 1 1
LYS 10 10 1 1
MET 11 11 1 1
ILE 12 12 1 1
LYS 13 13 1 1
VAL 14 14 1 1
LYS 15 15 1 1
VAL 16 16 1 1
ILE 17 17 1 1
GLY 18 18 1 1
ARG 19 19 1 1
ASN 20 20 1 1
ILE 21 21 1 1
GLU 22 22 1 1
LYS 23 23 1 1
GLU 24 24 1 1
ILE 25 25 1 1
GLU 26 26 1 1
TRP 27 27 1 1
ARG 28 28 1 1
GLU 29 29 1 1
GLY 30 30 1 1
MET 31 31 1 1
LYS 32 32 1 1
VAL 33 33 1 1
ARG 34 34 1 1
ASP 35 35 1 1
ILE 36 36 1 1
LEU 37 37 1 1
ARG 38 38 1 1
ALA 39 39 1 1
VAL 40 40 1 1
GLY 41 41 1 1
PHE 42 42 1 1
ASN 43 43 1 1
THR 44 44 1 1
GLU 45 45 1 1
SER 46 46 1 1
ALA 47 47 1 1
ILE 48 48 1 1
ALA 49 49 1 1
LYS 50 50 1 1
VAL 51 51 1 1
ASN 52 52 1 1
GLY 53 53 1 1
LYS 54 54 1 1
VAL 55 55 1 1
VAL 56 56 1 1
LEU 57 57 1 1
GLU 58 58 1 1
ASP 59 59 1 1
ASP 60 60 1 1
GLU 61 61 1 1
VAL 62 62 1 1
LYS 63 63 1 1
ASP 64 64 1 1
GLY 65 65 1 1
ASP 66 66 1 1
PHE 67 67 1 1
VAL 68 68 1 1
GLU 69 69 1 1
VAL 70 70 1 1
ILE 71 71 1 1
PRO 72 72 1 1
VAL 73 73 1 1
VAL 74 74 1 1
SER 75 75 1 1
GLY 76 76 1 1
GLY 77 77 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
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 10 LYS H . 2 . HN 1 1
1 1 2 1 1 11 MET H . 3 . HN 1 1
2 1 1 1 1 10 LYS HA . 2 . HA 1 1
2 1 2 1 1 11 MET H . 3 . HN 1 1
3 1 1 1 1 11 MET HA . 3 . HA 1 1
3 1 2 1 1 12 ILE H . 4 . HN 1 1
4 1 1 1 1 12 ILE H . 4 . HN 1 1
4 1 2 1 1 13 LYS H . 5 . HN 1 1
5 1 1 1 1 12 ILE HA . 4 . HA 1 1
5 1 2 1 1 13 LYS H . 5 . HN 1 1
6 1 1 1 1 13 LYS H . 5 . HN 1 1
6 1 2 1 1 14 VAL H . 6 . HN 1 1
7 1 1 1 1 13 LYS H . 5 . HN 1 1
7 1 2 1 1 66 ASP H . 58 . HN 1 1
8 1 1 1 1 13 LYS H . 5 . HN 1 1
8 1 2 1 1 67 PHE HA . 59 . HA 1 1
9 1 1 1 1 13 LYS HA . 5 . HA 1 1
9 1 2 1 1 14 VAL H . 6 . HN 1 1
10 1 1 1 1 14 VAL H . 6 . HN 1 1
10 1 2 1 1 15 LYS H . 7 . HN 1 1
11 1 1 1 1 15 LYS H . 7 . HN 1 1
11 1 2 1 1 70 VAL H . 62 . HN 1 1
12 1 1 1 1 18 GLY H . 10 . HN 1 1
12 1 2 1 1 19 ARG H . 11 . HN 1 1
13 1 1 1 1 18 GLY HA2 . 10 . HA1 1 1
13 1 2 1 1 19 ARG H . 11 . HN 1 1
14 1 1 1 1 18 GLY HA3 . 10 . HA2 1 1
14 1 2 1 1 19 ARG H . 11 . HN 1 1
15 1 1 1 1 19 ARG H . 11 . HN 1 1
15 1 2 1 1 20 ASN H . 12 . HN 1 1
16 1 1 1 1 20 ASN H . 12 . HN 1 1
16 1 2 1 1 21 ILE H . 13 . HN 1 1
17 1 1 1 1 20 ASN HA . 12 . HA 1 1
17 1 2 1 1 21 ILE H . 13 . HN 1 1
18 1 1 1 1 28 ARG H . 20 . HN 1 1
18 1 2 1 1 29 GLU H . 21 . HN 1 1
19 1 1 1 1 28 ARG HA . 20 . HA 1 1
19 1 2 1 1 29 GLU H . 21 . HN 1 1
20 1 1 1 1 29 GLU HA . 21 . HA 1 1
20 1 2 1 1 30 GLY H . 22 . HN 1 1
21 1 1 1 1 30 GLY H . 22 . HN 1 1
21 1 2 1 1 31 MET H . 23 . HN 1 1
22 1 1 1 1 30 GLY HA3 . 22 . HA2 1 1
22 1 2 1 1 31 MET H . 23 . HN 1 1
23 1 1 1 1 31 MET H . 23 . HN 1 1
23 1 2 1 1 32 LYS H . 24 . HN 1 1
24 1 1 1 1 31 MET HA . 23 . HA 1 1
24 1 2 1 1 32 LYS H . 24 . HN 1 1
25 1 1 1 1 32 LYS HA . 24 . HA 1 1
25 1 2 1 1 33 VAL H . 25 . HN 1 1
26 1 1 1 1 32 LYS HA . 24 . HA 1 1
26 1 2 1 1 35 ASP H . 27 . HN 1 1
27 1 1 1 1 32 LYS HA . 24 . HA 1 1
27 1 2 1 1 61 GLU H . 53 . HN 1 1
28 1 1 1 1 33 VAL H . 25 . HN 1 1
28 1 2 1 1 62 VAL H . 54 . HN 1 1
29 1 1 1 1 33 VAL HA . 25 . HA 1 1
29 1 2 1 1 34 ARG H . 26 . HN 1 1
30 1 1 1 1 34 ARG H . 26 . HN 1 1
30 1 2 1 1 35 ASP H . 27 . HN 1 1
31 1 1 1 1 34 ARG H . 26 . HN 1 1
31 1 2 1 1 59 ASP HA . 51 . HA 1 1
32 1 1 1 1 35 ASP HA . 27 . HA 1 1
32 1 2 1 1 36 ILE H . 28 . HN 1 1
33 1 1 1 1 35 ASP HA . 27 . HA 1 1
33 1 2 1 1 38 ARG H . 30 . HN 1 1
34 1 1 1 1 36 ILE H . 28 . HN 1 1
34 1 2 1 1 37 LEU H . 29 . HN 1 1
35 1 1 1 1 36 ILE HA . 28 . HA 1 1
35 1 2 1 1 39 ALA H . 31 . HN 1 1
36 1 1 1 1 37 LEU HA . 29 . HA 1 1
36 1 2 1 1 38 ARG H . 30 . HN 1 1
37 1 1 1 1 38 ARG HA . 30 . HA 1 1
37 1 2 1 1 41 GLY H . 33 . HN 1 1
38 1 1 1 1 39 ALA H . 31 . HN 1 1
38 1 2 1 1 40 VAL H . 32 . HN 1 1
39 1 1 1 1 39 ALA HA . 31 . HA 1 1
39 1 2 1 1 40 VAL H . 32 . HN 1 1
40 1 1 1 1 39 ALA HA . 31 . HA 1 1
40 1 2 1 1 42 PHE H . 34 . HN 1 1
41 1 1 1 1 40 VAL H . 32 . HN 1 1
41 1 2 1 1 42 PHE H . 34 . HN 1 1
42 1 1 1 1 40 VAL HA . 32 . HA 1 1
42 1 2 1 1 41 GLY H . 33 . HN 1 1
43 1 1 1 1 41 GLY H . 33 . HN 1 1
43 1 2 1 1 42 PHE H . 34 . HN 1 1
44 1 1 1 1 41 GLY HA2 . 33 . HA1 1 1
44 1 2 1 1 42 PHE H . 34 . HN 1 1
45 1 1 1 1 41 GLY HA3 . 33 . HA2 1 1
45 1 2 1 1 42 PHE H . 34 . HN 1 1
46 1 1 1 1 42 PHE H . 34 . HN 1 1
46 1 2 1 1 43 ASN H . 35 . HN 1 1
47 1 1 1 1 43 ASN H . 35 . HN 1 1
47 1 2 1 1 44 THR H . 36 . HN 1 1
48 1 1 1 1 43 ASN HA . 35 . HA 1 1
48 1 2 1 1 44 THR H . 36 . HN 1 1
49 1 1 1 1 45 GLU H . 37 . HN 1 1
49 1 2 1 1 46 SER H . 38 . HN 1 1
50 1 1 1 1 45 GLU HA . 37 . HA 1 1
50 1 2 1 1 46 SER H . 38 . HN 1 1
51 1 1 1 1 46 SER HA . 38 . HA 1 1
51 1 2 1 1 47 ALA H . 39 . HN 1 1
52 1 1 1 1 47 ALA HA . 39 . HA 1 1
52 1 2 1 1 48 ILE H . 40 . HN 1 1
53 1 1 1 1 48 ILE HA . 40 . HA 1 1
53 1 2 1 1 49 ALA H . 41 . HN 1 1
54 1 1 1 1 49 ALA H . 41 . HN 1 1
54 1 2 1 1 56 VAL H . 48 . HN 1 1
55 1 1 1 1 49 ALA HA . 41 . HA 1 1
55 1 2 1 1 50 LYS H . 42 . HN 1 1
56 1 1 1 1 50 LYS HA . 42 . HA 1 1
56 1 2 1 1 56 VAL H . 48 . HN 1 1
57 1 1 1 1 51 VAL H . 43 . HN 1 1
57 1 2 1 1 52 ASN H . 44 . HN 1 1
58 1 1 1 1 51 VAL H . 43 . HN 1 1
58 1 2 1 1 54 LYS H . 46 . HN 1 1
59 1 1 1 1 51 VAL H . 43 . HN 1 1
59 1 2 1 1 56 VAL H . 48 . HN 1 1
60 1 1 1 1 51 VAL HA . 43 . HA 1 1
60 1 2 1 1 52 ASN H . 44 . HN 1 1
61 1 1 1 1 52 ASN H . 44 . HN 1 1
61 1 2 1 1 53 GLY H . 45 . HN 1 1
62 1 1 1 1 52 ASN H . 44 . HN 1 1
62 1 2 1 1 54 LYS H . 46 . HN 1 1
63 1 1 1 1 52 ASN H . 44 . HN 1 1
63 1 2 1 1 67 PHE H . 59 . HN 1 1
64 1 1 1 1 52 ASN HA . 44 . HA 1 1
64 1 2 1 1 53 GLY H . 45 . HN 1 1
65 1 1 1 1 53 GLY H . 45 . HN 1 1
65 1 2 1 1 54 LYS H . 46 . HN 1 1
66 1 1 1 1 53 GLY HA2 . 45 . HA1 1 1
66 1 2 1 1 54 LYS H . 46 . HN 1 1
67 1 1 1 1 53 GLY HA3 . 45 . HA2 1 1
67 1 2 1 1 54 LYS H . 46 . HN 1 1
68 1 1 1 1 54 LYS H . 46 . HN 1 1
68 1 2 1 1 55 VAL H . 47 . HN 1 1
69 1 1 1 1 55 VAL HA . 47 . HA 1 1
69 1 2 1 1 56 VAL H . 48 . HN 1 1
70 1 1 1 1 58 GLU H . 50 . HN 1 1
70 1 2 1 1 59 ASP H . 51 . HN 1 1
71 1 1 1 1 58 GLU HA . 50 . HA 1 1
71 1 2 1 1 59 ASP H . 51 . HN 1 1
72 1 1 1 1 60 ASP H . 52 . HN 1 1
72 1 2 1 1 61 GLU H . 53 . HN 1 1
73 1 1 1 1 61 GLU H . 53 . HN 1 1
73 1 2 1 1 62 VAL H . 54 . HN 1 1
74 1 1 1 1 61 GLU HA . 53 . HA 1 1
74 1 2 1 1 62 VAL H . 54 . HN 1 1
75 1 1 1 1 62 VAL H . 54 . HN 1 1
75 1 2 1 1 63 LYS H . 55 . HN 1 1
76 1 1 1 1 63 LYS H . 55 . HN 1 1
76 1 2 1 1 64 ASP H . 56 . HN 1 1
77 1 1 1 1 63 LYS H . 55 . HN 1 1
77 1 2 1 1 66 ASP H . 58 . HN 1 1
78 1 1 1 1 64 ASP H . 56 . HN 1 1
78 1 2 1 1 65 GLY H . 57 . HN 1 1
79 1 1 1 1 64 ASP HA . 56 . HA 1 1
79 1 2 1 1 65 GLY H . 57 . HN 1 1
80 1 1 1 1 64 ASP HA . 56 . HA 1 1
80 1 2 1 1 66 ASP H . 58 . HN 1 1
81 1 1 1 1 65 GLY HA2 . 57 . HA1 1 1
81 1 2 1 1 66 ASP H . 58 . HN 1 1
82 1 1 1 1 65 GLY HA3 . 57 . HA2 1 1
82 1 2 1 1 66 ASP H . 58 . HN 1 1
83 1 1 1 1 66 ASP HA . 58 . HA 1 1
83 1 2 1 1 67 PHE H . 59 . HN 1 1
84 1 1 1 1 67 PHE HA . 59 . HA 1 1
84 1 2 1 1 68 VAL H . 60 . HN 1 1
85 1 1 1 1 69 GLU HA . 61 . HA 1 1
85 1 2 1 1 70 VAL H . 62 . HN 1 1
86 1 1 1 1 70 VAL HA . 62 . HA 1 1
86 1 2 1 1 71 ILE H . 63 . HN 1 1
87 1 1 1 1 73 VAL HA . 65 . HA 1 1
87 1 2 1 1 74 VAL H . 66 . HN 1 1
88 1 1 1 1 74 VAL HA . 66 . HA 1 1
88 1 2 1 1 75 SER H . 67 . HN 1 1
89 1 1 1 1 75 SER HA . 67 . HA 1 1
89 1 2 1 1 76 GLY H . 68 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.7 1.8 3.1 1 1
2 1 . . . . . 2.7 1.8 2.9 1 1
3 1 . . . . . 2.7 1.8 2.9 1 1
4 1 . . . . . 5.0 1.8 5.4 1 1
5 1 . . . . . 2.7 1.8 2.9 1 1
6 1 . . . . . 5.0 1.8 5.4 1 1
7 1 . . . . . 5.0 1.8 5.4 1 1
8 1 . . . . . 3.3 1.8 3.5 1 1
9 1 . . . . . 2.7 1.8 2.9 1 1
10 1 . . . . . 5.0 1.8 5.4 1 1
11 1 . . . . . 3.3 1.8 3.7 1 1
12 1 . . . . . 2.7 1.8 3.1 1 1
13 1 . . . . . 3.3 1.8 3.5 1 1
14 1 . . . . . 3.3 1.8 3.5 1 1
15 1 . . . . . 2.7 1.8 3.1 1 1
16 1 . . . . . 3.3 1.8 3.7 1 1
17 1 . . . . . 2.7 1.8 2.9 1 1
18 1 . . . . . 5.0 1.8 5.4 1 1
19 1 . . . . . 3.3 1.8 3.5 1 1
20 1 . . . . . 2.7 1.8 2.9 1 1
21 1 . . . . . 2.7 1.8 3.1 1 1
22 1 . . . . . 3.3 1.8 3.5 1 1
23 1 . . . . . 5.0 1.8 5.4 1 1
24 1 . . . . . 2.7 1.8 2.9 1 1
25 1 . . . . . 2.7 1.8 2.9 1 1
26 1 . . . . . 5.0 1.8 5.2 1 1
27 1 . . . . . 5.0 1.8 5.2 1 1
28 1 . . . . . 5.0 1.8 5.4 1 1
29 1 . . . . . 3.3 1.8 3.5 1 1
30 1 . . . . . 2.7 1.8 3.1 1 1
31 1 . . . . . 3.3 1.8 3.5 1 1
32 1 . . . . . 5.0 1.8 5.2 1 1
33 1 . . . . . 3.3 1.8 3.5 1 1
34 1 . . . . . 2.7 1.8 3.1 1 1
35 1 . . . . . 3.3 1.8 3.5 1 1
36 1 . . . . . 3.3 1.8 3.5 1 1
37 1 . . . . . 3.3 1.8 3.5 1 1
38 1 . . . . . 2.7 1.8 3.1 1 1
39 1 . . . . . 3.3 1.8 3.5 1 1
40 1 . . . . . 5.0 1.8 5.2 1 1
41 1 . . . . . 3.3 1.8 3.7 1 1
42 1 . . . . . 3.3 1.8 3.5 1 1
43 1 . . . . . 2.7 1.8 3.1 1 1
44 1 . . . . . 3.3 1.8 3.5 1 1
45 1 . . . . . 3.3 1.8 3.5 1 1
46 1 . . . . . 3.3 1.8 3.7 1 1
47 1 . . . . . 3.3 1.8 3.7 1 1
48 1 . . . . . 2.7 1.8 2.9 1 1
49 1 . . . . . 2.7 1.8 3.1 1 1
50 1 . . . . . 2.7 1.8 2.9 1 1
51 1 . . . . . 2.7 1.8 2.9 1 1
52 1 . . . . . 3.3 1.8 3.5 1 1
53 1 . . . . . 2.7 1.8 2.9 1 1
54 1 . . . . . 5.0 1.8 5.4 1 1
55 1 . . . . . 2.7 1.8 2.9 1 1
56 1 . . . . . 3.3 1.8 3.5 1 1
57 1 . . . . . 5.0 1.8 5.4 1 1
58 1 . . . . . 3.3 1.8 3.7 1 1
59 1 . . . . . 5.0 1.8 5.4 1 1
60 1 . . . . . 2.7 1.8 2.9 1 1
61 1 . . . . . 3.3 1.8 3.7 1 1
62 1 . . . . . 5.0 1.8 5.4 1 1
63 1 . . . . . 5.0 1.8 5.4 1 1
64 1 . . . . . 2.7 1.8 2.9 1 1
65 1 . . . . . 3.3 1.8 3.7 1 1
66 1 . . . . . 2.7 1.8 2.9 1 1
67 1 . . . . . 3.3 1.8 3.5 1 1
68 1 . . . . . 5.0 1.8 5.4 1 1
69 1 . . . . . 2.7 1.8 2.9 1 1
70 1 . . . . . 3.3 1.8 3.7 1 1
71 1 . . . . . 3.3 1.8 3.5 1 1
72 1 . . . . . 5.0 1.8 5.4 1 1
73 1 . . . . . 5.0 1.8 5.4 1 1
74 1 . . . . . 2.7 1.8 2.9 1 1
75 1 . . . . . 5.0 1.8 5.4 1 1
76 1 . . . . . 5.0 1.8 5.4 1 1
77 1 . . . . . 5.0 1.8 5.4 1 1
78 1 . . . . . 5.0 1.8 5.4 1 1
79 1 . . . . . 2.7 1.8 2.9 1 1
80 1 . . . . . 5.0 1.8 5.2 1 1
81 1 . . . . . 3.3 1.8 3.5 1 1
82 1 . . . . . 3.3 1.8 3.5 1 1
83 1 . . . . . 2.7 1.8 2.9 1 1
84 1 . . . . . 2.7 1.8 2.9 1 1
85 1 . . . . . 2.7 1.8 2.9 1 1
86 1 . . . . . 2.7 1.8 2.9 1 1
87 1 . . . . . 2.7 1.8 2.9 1 1
88 1 . . . . . 2.7 1.8 2.9 1 1
89 1 . . . . . 3.3 1.8 3.5 1 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 18 GLY C 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C -150.0 -89.99999 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
2 . 1 1 20 ASN C 1 1 21 ILE N 1 1 21 ILE CA 1 1 21 ILE C -150.0 -89.99999 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
3 . 1 1 24 GLU C 1 1 25 ILE N 1 1 25 ILE CA 1 1 25 ILE C -150.0 -89.99999 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
4 . 1 1 37 LEU C 1 1 38 ARG N 1 1 38 ARG CA 1 1 38 ARG C -60.0 -30.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1
5 . 1 1 39 ALA C 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL C -150.0 -89.99999 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1
6 . 1 1 41 GLY C 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE C -150.0 -89.99999 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1
7 . 1 1 11 MET C 1 1 12 ILE N 1 1 12 ILE CA 1 1 12 ILE C -150.0 -89.99999 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
8 . 1 1 47 ALA C 1 1 48 ILE N 1 1 48 ILE CA 1 1 48 ILE C -150.0 -89.99999 . 39 . C . 40 . N . 40 . CA . 40 . C 1 1
9 . 1 1 49 ALA C 1 1 50 LYS N 1 1 50 LYS CA 1 1 50 LYS C -150.0 -89.99999 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1
10 . 1 1 53 GLY C 1 1 54 LYS N 1 1 54 LYS CA 1 1 54 LYS C -150.0 -89.99999 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1
11 . 1 1 55 VAL C 1 1 56 VAL N 1 1 56 VAL CA 1 1 56 VAL C -150.0 -89.99999 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1
12 . 1 1 57 LEU C 1 1 58 GLU N 1 1 58 GLU CA 1 1 58 GLU C -60.0 -30.0 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1
13 . 1 1 61 GLU C 1 1 62 VAL N 1 1 62 VAL CA 1 1 62 VAL C -150.0 -89.99999 . 53 . C . 54 . N . 54 . CA . 54 . C 1 1
14 . 1 1 13 LYS C 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C -150.0 -89.99999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
15 . 1 1 67 PHE C 1 1 68 VAL N 1 1 68 VAL CA 1 1 68 VAL C -150.0 -89.99999 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1
16 . 1 1 69 GLU C 1 1 70 VAL N 1 1 70 VAL CA 1 1 70 VAL C -150.0 -89.99999 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1
17 . 1 1 15 LYS C 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C -150.0 -89.99999 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
18 . 1 1 44 THR C 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C -100.0 -40.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1
19 . 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C 1 1 46 SER N -60.0 0.0 . 37 . N . 37 . CA . 37 . C . 38 . N 1 1
20 . 1 1 62 VAL C 1 1 63 LYS N 1 1 63 LYS CA 1 1 63 LYS C -160.0 -100.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1
21 . 1 1 63 LYS N 1 1 63 LYS CA 1 1 63 LYS C 1 1 64 ASP N -210.0 -150.0 . 55 . N . 55 . CA . 55 . C . 56 . N 1 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID 1
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID .
_RDC_constraint_list.Block_ID .
loop_
_RDC_constraint.ID
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 1 1 49 ALA N 1 1 49 ALA H -4.232 . . . . 41 . N . 41 . HN 1 1
2 1 1 69 GLU N 1 1 69 GLU H -5.393 . . . . 61 . N . 61 . HN 1 1
3 1 1 10 LYS N 1 1 10 LYS H -6.104 . . . . 2 . N . 2 . HN 1 1
4 1 1 32 LYS N 1 1 32 LYS H -13.404 . . . . 24 . N . 24 . HN 1 1
5 1 1 12 ILE N 1 1 12 ILE H -12.635 . . . . 4 . N . 4 . HN 1 1
6 1 1 63 LYS N 1 1 63 LYS H -2.933 . . . . 55 . N . 55 . HN 1 1
7 1 1 71 ILE N 1 1 71 ILE H -4.315 . . . . 63 . N . 63 . HN 1 1
8 1 1 68 VAL N 1 1 68 VAL H -1.18 . . . . 60 . N . 60 . HN 1 1
9 1 1 17 ILE N 1 1 17 ILE H -3.786 . . . . 9 . N . 9 . HN 1 1
10 1 1 53 GLY N 1 1 53 GLY H -10.005 . . . . 45 . N . 45 . HN 1 1
11 1 1 52 ASN N 1 1 52 ASN H -7.566 . . . . 44 . N . 44 . HN 1 1
12 1 1 70 VAL N 1 1 70 VAL H -0.608 . . . . 62 . N . 62 . HN 1 1
13 1 1 14 VAL N 1 1 14 VAL H -3.539 . . . . 6 . N . 6 . HN 1 1
14 1 1 25 ILE N 1 1 25 ILE H -12.934 . . . . 17 . N . 17 . HN 1 1
15 1 1 23 LYS N 1 1 23 LYS H -3.727 . . . . 15 . N . 15 . HN 1 1
16 1 1 33 VAL N 1 1 33 VAL H -7.0 . . . . 25 . N . 25 . HN 1 1
17 1 1 55 VAL N 1 1 55 VAL H -8.074 . . . . 47 . N . 47 . HN 1 1
18 1 1 16 VAL N 1 1 16 VAL H -1.236 . . . . 8 . N . 8 . HN 1 1
19 1 1 27 TRP N 1 1 27 TRP H 5.604 . . . . 19 . N . 19 . HN 1 1
20 1 1 26 GLU N 1 1 26 GLU H -9.353 . . . . 18 . N . 18 . HN 1 1
21 1 1 15 LYS N 1 1 15 LYS H -4.353 . . . . 7 . N . 7 . HN 1 1
22 1 1 22 GLU N 1 1 22 GLU H -6.594 . . . . 14 . N . 14 . HN 1 1
23 1 1 51 VAL N 1 1 51 VAL H -3.678 . . . . 43 . N . 43 . HN 1 1
24 1 1 13 LYS N 1 1 13 LYS H -8.995 . . . . 5 . N . 5 . HN 1 1
25 1 1 74 VAL N 1 1 74 VAL H -6.633 . . . . 66 . N . 66 . HN 1 1
26 1 1 47 ALA N 1 1 47 ALA H -4.65 . . . . 39 . N . 39 . HN 1 1
27 1 1 73 VAL N 1 1 73 VAL H -7.076 . . . . 65 . N . 65 . HN 1 1
28 1 1 56 VAL N 1 1 56 VAL H -3.137 . . . . 48 . N . 48 . HN 1 1
29 1 1 67 PHE N 1 1 67 PHE H -9.715 . . . . 59 . N . 59 . HN 1 1
30 1 1 24 GLU N 1 1 24 GLU H -5.521 . . . . 16 . N . 16 . HN 1 1
31 1 1 57 LEU N 1 1 57 LEU H 6.296 . . . . 49 . N . 49 . HN 1 1
32 1 1 75 SER N 1 1 75 SER H -3.259 . . . . 67 . N . 67 . HN 1 1
33 1 1 61 GLU N 1 1 61 GLU H -7.066 . . . . 53 . N . 53 . HN 1 1
34 1 1 11 MET N 1 1 11 MET H -7.25 . . . . 3 . N . 3 . HN 1 1
35 1 1 42 PHE N 1 1 42 PHE H 14.948 . . . . 34 . N . 34 . HN 1 1
36 1 1 45 GLU N 1 1 45 GLU H -4.789 . . . . 37 . N . 37 . HN 1 1
37 1 1 20 ASN N 1 1 20 ASN H -5.459 . . . . 12 . N . 12 . HN 1 1
38 1 1 50 LYS N 1 1 50 LYS H -4.216 . . . . 42 . N . 42 . HN 1 1
39 1 1 48 ILE N 1 1 48 ILE H -5.035 . . . . 40 . N . 40 . HN 1 1
40 1 1 37 LEU N 1 1 37 LEU H -6.419 . . . . 29 . N . 29 . HN 1 1
41 1 1 34 ARG N 1 1 34 ARG H -4.465 . . . . 26 . N . 26 . HN 1 1
42 1 1 18 GLY N 1 1 18 GLY H 3.218 . . . . 10 . N . 10 . HN 1 1
43 1 1 30 GLY N 1 1 30 GLY H -9.083 . . . . 22 . N . 22 . HN 1 1
44 1 1 58 GLU N 1 1 58 GLU H 17.042 . . . . 50 . N . 50 . HN 1 1
45 1 1 76 GLY N 1 1 76 GLY H -2.389 . . . . 68 . N . 68 . HN 1 1
46 1 1 44 THR N 1 1 44 THR H -5.295 . . . . 36 . N . 36 . HN 1 1
47 1 1 43 ASN N 1 1 43 ASN H 3.914 . . . . 35 . N . 35 . HN 1 1
48 1 1 77 GLY N 1 1 77 GLY H 0.004 . . . . 69 . N . 69 . HN 1 1
49 1 1 65 GLY N 1 1 65 GLY H -9.775 . . . . 57 . N . 57 . HN 1 1
50 1 1 46 SER N 1 1 46 SER H 6.158 . . . . 38 . N . 38 . HN 1 1
51 1 1 59 ASP N 1 1 59 ASP H 4.691 . . . . 51 . N . 51 . HN 1 1
52 1 1 62 VAL N 1 1 62 VAL H -7.431 . . . . 54 . N . 54 . HN 1 1
53 1 1 28 ARG N 1 1 28 ARG H 9.419 . . . . 20 . N . 20 . HN 1 1
54 1 1 36 ILE N 1 1 36 ILE H -3.32 . . . . 28 . N . 28 . HN 1 1
55 1 1 31 MET N 1 1 31 MET H 12.624 . . . . 23 . N . 23 . HN 1 1
56 1 1 39 ALA N 1 1 39 ALA H -9.935 . . . . 31 . N . 31 . HN 1 1
57 1 1 54 LYS N 1 1 54 LYS H 7.886 . . . . 46 . N . 46 . HN 1 1
58 1 1 66 ASP N 1 1 66 ASP H -8.685 . . . . 58 . N . 58 . HN 1 1
59 1 1 29 GLU N 1 1 29 GLU H 10.407 . . . . 21 . N . 21 . HN 1 1
60 1 1 60 ASP N 1 1 60 ASP H 4.955 . . . . 52 . N . 52 . HN 1 1
61 1 1 35 ASP N 1 1 35 ASP H -3.004 . . . . 27 . N . 27 . HN 1 1
62 1 1 38 ARG N 1 1 38 ARG H -0.721 . . . . 30 . N . 30 . HN 1 1
63 1 1 64 ASP N 1 1 64 ASP H 0.887 . . . . 56 . N . 56 . HN 1 1
64 1 1 19 ARG N 1 1 19 ARG H 0.936 . . . . 11 . N . 11 . HN 1 1
65 1 1 21 ILE N 1 1 21 ILE H -1.727 . . . . 13 . N . 13 . HN 1 1
66 1 1 40 VAL N 1 1 40 VAL H -5.655 . . . . 32 . N . 32 . HN 1 1
67 1 1 41 GLY N 1 1 41 GLY H 3.466 . . . . 33 . N . 33 . HN 1 1
68 1 1 49 ALA HA 1 1 49 ALA CA 4.625 . . . . 41 . HA . 41 . CA 1 1
69 1 1 69 GLU HA 1 1 69 GLU CA 3.0955 . . . . 61 . HA . 61 . CA 1 1
70 1 1 10 LYS HA 1 1 10 LYS CA 6.7865 . . . . 2 . HA . 2 . CA 1 1
71 1 1 32 LYS HA 1 1 32 LYS CA 8.434 . . . . 24 . HA . 24 . CA 1 1
72 1 1 12 ILE HA 1 1 12 ILE CA 9.837 . . . . 4 . HA . 4 . CA 1 1
73 1 1 63 LYS HA 1 1 63 LYS CA 6.3445 . . . . 55 . HA . 55 . CA 1 1
74 1 1 71 ILE HA 1 1 71 ILE CA 2.4135 . . . . 63 . HA . 63 . CA 1 1
75 1 1 68 VAL HA 1 1 68 VAL CA 5.5565 . . . . 60 . HA . 60 . CA 1 1
76 1 1 17 ILE HA 1 1 17 ILE CA -4.291 . . . . 9 . HA . 9 . CA 1 1
77 1 1 52 ASN HA 1 1 52 ASN CA 0.1165 . . . . 44 . HA . 44 . CA 1 1
78 1 1 70 VAL HA 1 1 70 VAL CA 1.293 . . . . 62 . HA . 62 . CA 1 1
79 1 1 14 VAL HA 1 1 14 VAL CA 5.1855 . . . . 6 . HA . 6 . CA 1 1
80 1 1 25 ILE HA 1 1 25 ILE CA 9.862 . . . . 17 . HA . 17 . CA 1 1
81 1 1 23 LYS HA 1 1 23 LYS CA 1.2035 . . . . 15 . HA . 15 . CA 1 1
82 1 1 33 VAL HA 1 1 33 VAL CA -0.2985 . . . . 25 . HA . 25 . CA 1 1
83 1 1 55 VAL HA 1 1 55 VAL CA 6.1345 . . . . 47 . HA . 47 . CA 1 1
84 1 1 16 VAL HA 1 1 16 VAL CA 5.283 . . . . 8 . HA . 8 . CA 1 1
85 1 1 26 GLU HA 1 1 26 GLU CA 1.816 . . . . 18 . HA . 18 . CA 1 1
86 1 1 15 LYS HA 1 1 15 LYS CA 6.5205 . . . . 7 . HA . 7 . CA 1 1
87 1 1 22 GLU HA 1 1 22 GLU CA 4.663 . . . . 14 . HA . 14 . CA 1 1
88 1 1 51 VAL HA 1 1 51 VAL CA 5.115 . . . . 43 . HA . 43 . CA 1 1
89 1 1 13 LYS HA 1 1 13 LYS CA 7.167 . . . . 5 . HA . 5 . CA 1 1
90 1 1 74 VAL HA 1 1 74 VAL CA 3.5175 . . . . 66 . HA . 66 . CA 1 1
91 1 1 47 ALA HA 1 1 47 ALA CA 0.971 . . . . 39 . HA . 39 . CA 1 1
92 1 1 56 VAL HA 1 1 56 VAL CA 6.7405 . . . . 48 . HA . 48 . CA 1 1
93 1 1 67 PHE HA 1 1 67 PHE CA -10.5925 . . . . 59 . HA . 59 . CA 1 1
94 1 1 24 GLU HA 1 1 24 GLU CA 4.1135 . . . . 16 . HA . 16 . CA 1 1
95 1 1 57 LEU HA 1 1 57 LEU CA -9.385 . . . . 49 . HA . 49 . CA 1 1
96 1 1 75 SER HA 1 1 75 SER CA 1.3465 . . . . 67 . HA . 67 . CA 1 1
97 1 1 61 GLU HA 1 1 61 GLU CA 11.4045 . . . . 53 . HA . 53 . CA 1 1
98 1 1 11 MET HA 1 1 11 MET CA 7.3445 . . . . 3 . HA . 3 . CA 1 1
99 1 1 42 PHE HA 1 1 42 PHE CA -10.5 . . . . 34 . HA . 34 . CA 1 1
100 1 1 45 GLU HA 1 1 45 GLU CA 3.5775 . . . . 37 . HA . 37 . CA 1 1
101 1 1 20 ASN HA 1 1 20 ASN CA 8.764 . . . . 12 . HA . 12 . CA 1 1
102 1 1 50 LYS HA 1 1 50 LYS CA 3.643 . . . . 42 . HA . 42 . CA 1 1
103 1 1 48 ILE HA 1 1 48 ILE CA 4.5855 . . . . 40 . HA . 40 . CA 1 1
104 1 1 37 LEU HA 1 1 37 LEU CA 5.346 . . . . 29 . HA . 29 . CA 1 1
105 1 1 34 ARG HA 1 1 34 ARG CA -8.422 . . . . 26 . HA . 26 . CA 1 1
106 1 1 58 GLU HA 1 1 58 GLU CA 0.7695 . . . . 50 . HA . 50 . CA 1 1
107 1 1 44 THR HA 1 1 44 THR CA 2.258 . . . . 36 . HA . 36 . CA 1 1
108 1 1 43 ASN HA 1 1 43 ASN CA -13.697 . . . . 35 . HA . 35 . CA 1 1
109 1 1 46 SER HA 1 1 46 SER CA -16.122 . . . . 38 . HA . 38 . CA 1 1
110 1 1 59 ASP HA 1 1 59 ASP CA 6.8215 . . . . 51 . HA . 51 . CA 1 1
111 1 1 62 VAL HA 1 1 62 VAL CA 9.794 . . . . 54 . HA . 54 . CA 1 1
112 1 1 28 ARG HA 1 1 28 ARG CA -15.3065 . . . . 20 . HA . 20 . CA 1 1
113 1 1 36 ILE HA 1 1 36 ILE CA -0.3355 . . . . 28 . HA . 28 . CA 1 1
114 1 1 31 MET HA 1 1 31 MET CA 4.4555 . . . . 23 . HA . 23 . CA 1 1
115 1 1 39 ALA HA 1 1 39 ALA CA 12.2565 . . . . 31 . HA . 31 . CA 1 1
116 1 1 54 LYS HA 1 1 54 LYS CA -0.1735 . . . . 46 . HA . 46 . CA 1 1
117 1 1 66 ASP HA 1 1 66 ASP CA 10.794 . . . . 58 . HA . 58 . CA 1 1
118 1 1 29 GLU HA 1 1 29 GLU CA 9.0355 . . . . 21 . HA . 21 . CA 1 1
119 1 1 60 ASP HA 1 1 60 ASP CA 2.681 . . . . 52 . HA . 52 . CA 1 1
120 1 1 35 ASP HA 1 1 35 ASP CA 4.8745 . . . . 27 . HA . 27 . CA 1 1
121 1 1 38 ARG HA 1 1 38 ARG CA -13.69 . . . . 30 . HA . 30 . CA 1 1
122 1 1 19 ARG HA 1 1 19 ARG CA -6.2735 . . . . 11 . HA . 11 . CA 1 1
123 1 1 21 ILE HA 1 1 21 ILE CA 1.161 . . . . 13 . HA . 13 . CA 1 1
124 1 1 40 VAL HA 1 1 40 VAL CA 1.658 . . . . 32 . HA . 32 . CA 1 1
125 1 1 48 ILE C 1 1 49 ALA N -5.00335 . . . . 40 . C . 41 . N 1 1
126 1 1 68 VAL C 1 1 69 GLU N 18.57442 . . . . 60 . C . 61 . N 1 1
127 1 1 31 MET C 1 1 32 LYS N 22.20495 . . . . 23 . C . 24 . N 1 1
128 1 1 11 MET C 1 1 12 ILE N 7.92266 . . . . 3 . C . 4 . N 1 1
129 1 1 62 VAL C 1 1 63 LYS N 9.50223 . . . . 54 . C . 55 . N 1 1
130 1 1 70 VAL C 1 1 71 ILE N 11.95015 . . . . 62 . C . 63 . N 1 1
131 1 1 67 PHE C 1 1 68 VAL N 9.68417 . . . . 59 . C . 60 . N 1 1
132 1 1 16 VAL C 1 1 17 ILE N -5.16875 . . . . 8 . C . 9 . N 1 1
133 1 1 52 ASN C 1 1 53 GLY N 3.82074 . . . . 44 . C . 45 . N 1 1
134 1 1 51 VAL C 1 1 52 ASN N -7.71591 . . . . 43 . C . 44 . N 1 1
135 1 1 69 GLU C 1 1 70 VAL N -6.10326 . . . . 61 . C . 62 . N 1 1
136 1 1 13 LYS C 1 1 14 VAL N -7.7738 . . . . 5 . C . 6 . N 1 1
137 1 1 24 GLU C 1 1 25 ILE N 1.97653 . . . . 16 . C . 17 . N 1 1
138 1 1 22 GLU C 1 1 23 LYS N -3.7215 . . . . 14 . C . 15 . N 1 1
139 1 1 32 LYS C 1 1 33 VAL N -3.20049 . . . . 24 . C . 25 . N 1 1
140 1 1 54 LYS C 1 1 55 VAL N 12.41327 . . . . 46 . C . 47 . N 1 1
141 1 1 15 LYS C 1 1 16 VAL N 4.99508 . . . . 7 . C . 8 . N 1 1
142 1 1 26 GLU C 1 1 27 TRP N -8.46021 . . . . 18 . C . 19 . N 1 1
143 1 1 25 ILE C 1 1 26 GLU N 2.49754 . . . . 17 . C . 18 . N 1 1
144 1 1 14 VAL C 1 1 15 LYS N 0.43831 . . . . 6 . C . 7 . N 1 1
145 1 1 21 ILE C 1 1 22 GLU N 9.50223 . . . . 13 . C . 14 . N 1 1
146 1 1 50 LYS C 1 1 51 VAL N 13.84398 . . . . 42 . C . 43 . N 1 1
147 1 1 12 ILE C 1 1 13 LYS N -9.25413 . . . . 4 . C . 5 . N 1 1
148 1 1 73 VAL C 1 1 74 VAL N -3.07644 . . . . 65 . C . 66 . N 1 1
149 1 1 46 SER C 1 1 47 ALA N -5.73938 . . . . 38 . C . 39 . N 1 1
150 1 1 72 PRO C 1 1 73 VAL N 1.71189 . . . . 64 . C . 65 . N 1 1
151 1 1 55 VAL C 1 1 56 VAL N -5.56571 . . . . 47 . C . 48 . N 1 1
152 1 1 66 ASP C 1 1 67 PHE N -3.2253 . . . . 58 . C . 59 . N 1 1
153 1 1 23 LYS C 1 1 24 GLU N 10.86678 . . . . 15 . C . 16 . N 1 1
154 1 1 56 VAL C 1 1 57 LEU N -20.69154 . . . . 48 . C . 49 . N 1 1
155 1 1 74 VAL C 1 1 75 SER N -0.70295 . . . . 66 . C . 67 . N 1 1
156 1 1 60 ASP C 1 1 61 GLU N 15.10102 . . . . 52 . C . 53 . N 1 1
157 1 1 10 LYS C 1 1 11 MET N -11.75994 . . . . 2 . C . 3 . N 1 1
158 1 1 41 GLY C 1 1 42 PHE N -1.83594 . . . . 33 . C . 34 . N 1 1
159 1 1 44 THR C 1 1 45 GLU N -5.0447 . . . . 36 . C . 37 . N 1 1
160 1 1 19 ARG C 1 1 20 ASN N 4.86276 . . . . 11 . C . 12 . N 1 1
161 1 1 49 ALA C 1 1 50 LYS N 16.64751 . . . . 41 . C . 42 . N 1 1
162 1 1 47 ALA C 1 1 48 ILE N -9.0143 . . . . 39 . C . 40 . N 1 1
163 1 1 36 ILE C 1 1 37 LEU N 6.0371 . . . . 28 . C . 29 . N 1 1
164 1 1 33 VAL C 1 1 34 ARG N 3.45686 . . . . 25 . C . 26 . N 1 1
165 1 1 17 ILE C 1 1 18 GLY N 0.9924 . . . . 9 . C . 10 . N 1 1
166 1 1 29 GLU C 1 1 30 GLY N -1.83594 . . . . 21 . C . 22 . N 1 1
167 1 1 57 LEU C 1 1 58 GLU N 1.02548 . . . . 49 . C . 50 . N 1 1
168 1 1 75 SER C 1 1 76 GLY N -3.77939 . . . . 67 . C . 68 . N 1 1
169 1 1 43 ASN C 1 1 44 THR N -2.62159 . . . . 35 . C . 36 . N 1 1
170 1 1 42 PHE C 1 1 43 ASN N -2.36522 . . . . 34 . C . 35 . N 1 1
171 1 1 76 GLY C 1 1 77 GLY N 1.67054 . . . . 68 . C . 69 . N 1 1
172 1 1 64 ASP C 1 1 65 GLY N -1.13299 . . . . 56 . C . 57 . N 1 1
173 1 1 45 GLU C 1 1 46 SER N 6.16942 . . . . 37 . C . 38 . N 1 1
174 1 1 58 GLU C 1 1 59 ASP N -6.24385 . . . . 50 . C . 51 . N 1 1
175 1 1 61 GLU C 1 1 62 VAL N 2.68775 . . . . 53 . C . 54 . N 1 1
176 1 1 27 TRP C 1 1 28 ARG N -24.93405 . . . . 19 . C . 20 . N 1 1
177 1 1 35 ASP C 1 1 36 ILE N -10.73446 . . . . 27 . C . 28 . N 1 1
178 1 1 30 GLY C 1 1 31 MET N 8.79928 . . . . 22 . C . 23 . N 1 1
179 1 1 38 ARG C 1 1 39 ALA N 8.7662 . . . . 30 . C . 31 . N 1 1
180 1 1 53 GLY C 1 1 54 LYS N -4.04403 . . . . 45 . C . 46 . N 1 1
181 1 1 65 GLY C 1 1 66 ASP N 3.01855 . . . . 57 . C . 58 . N 1 1
182 1 1 28 ARG C 1 1 29 GLU N 0.75257 . . . . 20 . C . 21 . N 1 1
183 1 1 59 ASP C 1 1 60 ASP N -8.46021 . . . . 51 . C . 52 . N 1 1
184 1 1 34 ARG C 1 1 35 ASP N 17.33392 . . . . 26 . C . 27 . N 1 1
185 1 1 37 LEU C 1 1 38 ARG N -2.90277 . . . . 29 . C . 30 . N 1 1
186 1 1 63 LYS C 1 1 64 ASP N 17.20987 . . . . 55 . C . 56 . N 1 1
187 1 1 18 GLY C 1 1 19 ARG N -9.74206 . . . . 10 . C . 11 . N 1 1
188 1 1 20 ASN C 1 1 21 ILE N -4.26732 . . . . 12 . C . 13 . N 1 1
189 1 1 39 ALA C 1 1 40 VAL N -11.45395 . . . . 31 . C . 32 . N 1 1
190 1 1 40 VAL C 1 1 41 GLY N -13.47183 . . . . 32 . C . 33 . N 1 1
191 1 1 48 ILE C 1 1 49 ALA H 0.8984 . . . . 40 . C . 41 . HN 1 1
192 1 1 68 VAL C 1 1 69 GLU H -2.7272 . . . . 60 . C . 61 . HN 1 1
193 1 1 31 MET C 1 1 32 LYS H -1.9988 . . . . 23 . C . 24 . HN 1 1
194 1 1 11 MET C 1 1 12 ILE H 0.8696 . . . . 3 . C . 4 . HN 1 1
195 1 1 62 VAL C 1 1 63 LYS H -2.0852 . . . . 54 . C . 55 . HN 1 1
196 1 1 70 VAL C 1 1 71 ILE H -1.816 . . . . 62 . C . 63 . HN 1 1
197 1 1 67 PHE C 1 1 68 VAL H -2.3292 . . . . 59 . C . 60 . HN 1 1
198 1 1 16 VAL C 1 1 17 ILE H -1.0308 . . . . 8 . C . 9 . HN 1 1
199 1 1 52 ASN C 1 1 53 GLY H 0.0412 . . . . 44 . C . 45 . HN 1 1
200 1 1 51 VAL C 1 1 52 ASN H -0.9092 . . . . 43 . C . 44 . HN 1 1
201 1 1 69 GLU C 1 1 70 VAL H 1.2212 . . . . 61 . C . 62 . HN 1 1
202 1 1 13 LYS C 1 1 14 VAL H -0.1468 . . . . 5 . C . 6 . HN 1 1
203 1 1 24 GLU C 1 1 25 ILE H -3.576 . . . . 16 . C . 17 . HN 1 1
204 1 1 22 GLU C 1 1 23 LYS H -0.9484 . . . . 14 . C . 15 . HN 1 1
205 1 1 32 LYS C 1 1 33 VAL H 2.082 . . . . 24 . C . 25 . HN 1 1
206 1 1 54 LYS C 1 1 55 VAL H -0.5548 . . . . 46 . C . 47 . HN 1 1
207 1 1 15 LYS C 1 1 16 VAL H 0.2732 . . . . 7 . C . 8 . HN 1 1
208 1 1 26 GLU C 1 1 27 TRP H 0.2192 . . . . 18 . C . 19 . HN 1 1
209 1 1 25 ILE C 1 1 26 GLU H 1.2832 . . . . 17 . C . 18 . HN 1 1
210 1 1 14 VAL C 1 1 15 LYS H -2.3232 . . . . 6 . C . 7 . HN 1 1
211 1 1 21 ILE C 1 1 22 GLU H 0.5704 . . . . 13 . C . 14 . HN 1 1
212 1 1 50 LYS C 1 1 51 VAL H 0.2308 . . . . 42 . C . 43 . HN 1 1
213 1 1 12 ILE C 1 1 13 LYS H -0.1268 . . . . 4 . C . 5 . HN 1 1
214 1 1 73 VAL C 1 1 74 VAL H 0.4228 . . . . 65 . C . 66 . HN 1 1
215 1 1 46 SER C 1 1 47 ALA H -0.2352 . . . . 38 . C . 39 . HN 1 1
216 1 1 72 PRO C 1 1 73 VAL H 0.4344 . . . . 64 . C . 65 . HN 1 1
217 1 1 55 VAL C 1 1 56 VAL H 0.138 . . . . 47 . C . 48 . HN 1 1
218 1 1 66 ASP C 1 1 67 PHE H 0.386 . . . . 58 . C . 59 . HN 1 1
219 1 1 23 LYS C 1 1 24 GLU H -1.9592 . . . . 15 . C . 16 . HN 1 1
220 1 1 56 VAL C 1 1 57 LEU H -0.37 . . . . 48 . C . 49 . HN 1 1
221 1 1 74 VAL C 1 1 75 SER H 0.048 . . . . 66 . C . 67 . HN 1 1
222 1 1 60 ASP C 1 1 61 GLU H -0.6668 . . . . 52 . C . 53 . HN 1 1
223 1 1 10 LYS C 1 1 11 MET H 2.7416 . . . . 2 . C . 3 . HN 1 1
224 1 1 41 GLY C 1 1 42 PHE H 1.5568 . . . . 33 . C . 34 . HN 1 1
225 1 1 44 THR C 1 1 45 GLU H 0.5996 . . . . 36 . C . 37 . HN 1 1
226 1 1 19 ARG C 1 1 20 ASN H 1.4732 . . . . 11 . C . 12 . HN 1 1
227 1 1 49 ALA C 1 1 50 LYS H 0.3528 . . . . 41 . C . 42 . HN 1 1
228 1 1 47 ALA C 1 1 48 ILE H 1.8772 . . . . 39 . C . 40 . HN 1 1
229 1 1 36 ILE C 1 1 37 LEU H 0.384 . . . . 28 . C . 29 . HN 1 1
230 1 1 33 VAL C 1 1 34 ARG H -0.5824 . . . . 25 . C . 26 . HN 1 1
231 1 1 17 ILE C 1 1 18 GLY H -0.2312 . . . . 9 . C . 10 . HN 1 1
232 1 1 29 GLU C 1 1 30 GLY H 0.798 . . . . 21 . C . 22 . HN 1 1
233 1 1 57 LEU C 1 1 58 GLU H -0.2604 . . . . 49 . C . 50 . HN 1 1
234 1 1 75 SER C 1 1 76 GLY H 0.1484 . . . . 67 . C . 68 . HN 1 1
235 1 1 43 ASN C 1 1 44 THR H -0.114 . . . . 35 . C . 36 . HN 1 1
236 1 1 42 PHE C 1 1 43 ASN H -1.9364 . . . . 34 . C . 35 . HN 1 1
237 1 1 76 GLY C 1 1 77 GLY H -0.0708 . . . . 68 . C . 69 . HN 1 1
238 1 1 64 ASP C 1 1 65 GLY H -1.006 . . . . 56 . C . 57 . HN 1 1
239 1 1 45 GLU C 1 1 46 SER H -0.992 . . . . 37 . C . 38 . HN 1 1
240 1 1 58 GLU C 1 1 59 ASP H 0.844 . . . . 50 . C . 51 . HN 1 1
241 1 1 61 GLU C 1 1 62 VAL H 0.5328 . . . . 53 . C . 54 . HN 1 1
242 1 1 27 TRP C 1 1 28 ARG H -0.928 . . . . 19 . C . 20 . HN 1 1
243 1 1 35 ASP C 1 1 36 ILE H 0.046 . . . . 27 . C . 28 . HN 1 1
244 1 1 30 GLY C 1 1 31 MET H -0.3292 . . . . 22 . C . 23 . HN 1 1
245 1 1 38 ARG C 1 1 39 ALA H 0.106 . . . . 30 . C . 31 . HN 1 1
246 1 1 53 GLY C 1 1 54 LYS H 0.264 . . . . 45 . C . 46 . HN 1 1
247 1 1 65 GLY C 1 1 66 ASP H -0.02 . . . . 57 . C . 58 . HN 1 1
248 1 1 28 ARG C 1 1 29 GLU H -1.1812 . . . . 20 . C . 21 . HN 1 1
249 1 1 59 ASP C 1 1 60 ASP H 0.3956 . . . . 51 . C . 52 . HN 1 1
250 1 1 34 ARG C 1 1 35 ASP H -1.1992 . . . . 26 . C . 27 . HN 1 1
251 1 1 37 LEU C 1 1 38 ARG H 0.1276 . . . . 29 . C . 30 . HN 1 1
252 1 1 63 LYS C 1 1 64 ASP H -1.7712 . . . . 55 . C . 56 . HN 1 1
253 1 1 18 GLY C 1 1 19 ARG H -1.1212 . . . . 10 . C . 11 . HN 1 1
254 1 1 20 ASN C 1 1 21 ILE H 2.9356 . . . . 12 . C . 13 . HN 1 1
255 1 1 39 ALA C 1 1 40 VAL H -1.1148 . . . . 31 . C . 32 . HN 1 1
256 1 1 40 VAL C 1 1 41 GLY H 1.0516 . . . . 32 . C . 33 . HN 1 1
257 1 1 49 ALA HA 1 1 49 ALA H -0.0242 -0.3242 0.2758 . . 41 . HA . 41 . HN 1 1
258 1 1 69 GLU HA 1 1 69 GLU H -0.1232 -0.4232 0.1768 . . 61 . HA . 61 . HN 1 1
259 1 1 10 LYS HA 1 1 10 LYS H 0.310605 -0.289395 0.910605 . . 2 . HA . 2 . HN 1 1
260 1 1 32 LYS HA 1 1 32 LYS H 0.4715 -0.1285 1.0715 . . 24 . HA . 24 . HN 1 1
261 1 1 12 ILE HA 1 1 12 ILE H 0.2865 -0.0135 0.5865 . . 4 . HA . 4 . HN 1 1
262 1 1 63 LYS HA 1 1 63 LYS H -0.3801 -0.6801 -0.0801 . . 55 . HA . 55 . HN 1 1
263 1 1 71 ILE HA 1 1 71 ILE H 0.1104 -0.1896 0.4104 . . 63 . HA . 63 . HN 1 1
264 1 1 68 VAL HA 1 1 68 VAL H -0.0821 -0.3821 0.2179 . . 60 . HA . 60 . HN 1 1
265 1 1 17 ILE HA 1 1 17 ILE H 0.122649 -0.477351 0.722649 . . 9 . HA . 9 . HN 1 1
266 1 1 52 ASN HA 1 1 52 ASN H 0.8053 0.5053 1.1053 . . 44 . HA . 44 . HN 1 1
267 1 1 70 VAL HA 1 1 70 VAL H -0.2719 -0.5719 0.0281 . . 62 . HA . 62 . HN 1 1
268 1 1 14 VAL HA 1 1 14 VAL H -0.3306 -0.6306 -0.0306 . . 6 . HA . 6 . HN 1 1
269 1 1 25 ILE HA 1 1 25 ILE H 0.2375 -0.3625 0.8375 . . 17 . HA . 17 . HN 1 1
270 1 1 23 LYS HA 1 1 23 LYS H -0.0022 -0.6022 0.5978 . . 15 . HA . 15 . HN 1 1
271 1 1 33 VAL HA 1 1 33 VAL H 0.0558 -0.2442 0.3558 . . 25 . HA . 25 . HN 1 1
272 1 1 55 VAL HA 1 1 55 VAL H 0.2457 -0.0543 0.5457 . . 47 . HA . 47 . HN 1 1
273 1 1 16 VAL HA 1 1 16 VAL H -0.4324 -0.7324 -0.1324 . . 8 . HA . 8 . HN 1 1
274 1 1 26 GLU HA 1 1 26 GLU H -0.0544 -0.6544 0.5456 . . 18 . HA . 18 . HN 1 1
275 1 1 15 LYS HA 1 1 15 LYS H 0.1326 -0.1674 0.4326 . . 7 . HA . 7 . HN 1 1
276 1 1 22 GLU HA 1 1 22 GLU H -0.2883 -0.5883 0.0117 . . 14 . HA . 14 . HN 1 1
277 1 1 51 VAL HA 1 1 51 VAL H -0.2105 -0.5105 0.0895 . . 43 . HA . 43 . HN 1 1
278 1 1 13 LYS HA 1 1 13 LYS H 0.1933 -0.1067 0.4933 . . 5 . HA . 5 . HN 1 1
279 1 1 74 VAL HA 1 1 74 VAL H 0.1157 -0.1843 0.4157 . . 66 . HA . 66 . HN 1 1
280 1 1 47 ALA HA 1 1 47 ALA H 0.2536 -0.0464 0.5536 . . 39 . HA . 39 . HN 1 1
281 1 1 56 VAL HA 1 1 56 VAL H 0.0394 -0.2606 0.3394 . . 48 . HA . 48 . HN 1 1
282 1 1 67 PHE HA 1 1 67 PHE H -0.14057 -0.44057 0.15943 . . 59 . HA . 59 . HN 1 1
283 1 1 24 GLU HA 1 1 24 GLU H 0.1431 -0.1569 0.4431 . . 16 . HA . 16 . HN 1 1
284 1 1 57 LEU HA 1 1 57 LEU H -0.2718 -0.5718 0.0282 . . 49 . HA . 49 . HN 1 1
285 1 1 75 SER HA 1 1 75 SER H 0.0659 -0.2341 0.3659 . . 67 . HA . 67 . HN 1 1
286 1 1 61 GLU HA 1 1 61 GLU H 0.352 0.052 0.652 . . 53 . HA . 53 . HN 1 1
287 1 1 11 MET HA 1 1 11 MET H 0.0702 -0.2298 0.3702 . . 3 . HA . 3 . HN 1 1
288 1 1 42 PHE HA 1 1 42 PHE H -0.4946 -0.7946 -0.1946 . . 34 . HA . 34 . HN 1 1
289 1 1 45 GLU HA 1 1 45 GLU H -0.1082 -0.4082 0.1918 . . 37 . HA . 37 . HN 1 1
290 1 1 20 ASN HA 1 1 20 ASN H -0.7971 -1.0971 -0.4971 . . 12 . HA . 12 . HN 1 1
291 1 1 50 LYS HA 1 1 50 LYS H 0.3038 0.0038 0.6038 . . 42 . HA . 42 . HN 1 1
292 1 1 48 ILE HA 1 1 48 ILE H 0.0283 -0.2717 0.3283 . . 40 . HA . 40 . HN 1 1
293 1 1 37 LEU HA 1 1 37 LEU H -0.0696 -0.3696 0.2304 . . 29 . HA . 29 . HN 1 1
294 1 1 34 ARG HA 1 1 34 ARG H -0.1571 -0.4571 0.1429 . . 26 . HA . 26 . HN 1 1
295 1 1 58 GLU HA 1 1 58 GLU H 0.0995 -0.2005 0.3995 . . 50 . HA . 50 . HN 1 1
296 1 1 44 THR HA 1 1 44 THR H 0.324 0.024 0.624 . . 36 . HA . 36 . HN 1 1
297 1 1 43 ASN HA 1 1 43 ASN H 0.0224 -0.2776 0.3224 . . 35 . HA . 35 . HN 1 1
298 1 1 46 SER HA 1 1 46 SER H -0.1887 -0.4887 0.1113 . . 38 . HA . 38 . HN 1 1
299 1 1 59 ASP HA 1 1 59 ASP H -0.245 -0.545 0.055 . . 51 . HA . 51 . HN 1 1
300 1 1 62 VAL HA 1 1 62 VAL H 0.5453 0.2453 0.8453 . . 54 . HA . 54 . HN 1 1
301 1 1 28 ARG HA 1 1 28 ARG H -0.1999 -0.4999 0.1001 . . 20 . HA . 20 . HN 1 1
302 1 1 36 ILE HA 1 1 36 ILE H 0.1587 -0.1413 0.4587 . . 28 . HA . 28 . HN 1 1
303 1 1 31 MET HA 1 1 31 MET H -0.2317 -0.5317 0.0683 . . 23 . HA . 23 . HN 1 1
304 1 1 39 ALA HA 1 1 39 ALA H 0.1224 -0.1776 0.4224 . . 31 . HA . 31 . HN 1 1
305 1 1 54 LYS HA 1 1 54 LYS H -0.1724 -0.4724 0.1276 . . 46 . HA . 46 . HN 1 1
306 1 1 66 ASP HA 1 1 66 ASP H 0.2017 -0.0983 0.5017 . . 58 . HA . 58 . HN 1 1
307 1 1 29 GLU HA 1 1 29 GLU H 0.1865 -0.1135 0.4865 . . 21 . HA . 21 . HN 1 1
308 1 1 60 ASP HA 1 1 60 ASP H -0.1148 -0.4148 0.1852 . . 52 . HA . 52 . HN 1 1
309 1 1 35 ASP HA 1 1 35 ASP H 0.2032 -0.0968 0.5032 . . 27 . HA . 27 . HN 1 1
310 1 1 38 ARG HA 1 1 38 ARG H 0.2119 -0.0881 0.5119 . . 30 . HA . 30 . HN 1 1
311 1 1 19 ARG HA 1 1 19 ARG H 0.1115 -0.1885 0.4115 . . 11 . HA . 11 . HN 1 1
312 1 1 21 ILE HA 1 1 21 ILE H 0.0117 -0.2883 0.3117 . . 13 . HA . 13 . HN 1 1
313 1 1 40 VAL HA 1 1 40 VAL H 0.1994 -0.1006 0.4994 . . 32 . HA . 32 . HN 1 1
314 1 1 48 ILE HA 1 1 49 ALA H -0.7975 -1.0975 -0.4975 . . 40 . HA . 41 . HN 1 1
315 1 1 68 VAL HA 1 1 69 GLU H -0.4725 -0.7725 -0.1725 . . 60 . HA . 61 . HN 1 1
316 1 1 31 MET HA 1 1 32 LYS H 0.4387 -0.1613 1.0387 . . 23 . HA . 24 . HN 1 1
317 1 1 11 MET HA 1 1 12 ILE H -0.7174 -1.0174 -0.4174 . . 3 . HA . 4 . HN 1 1
318 1 1 62 VAL HA 1 1 63 LYS H -0.7253 -1.0253 -0.4253 . . 54 . HA . 55 . HN 1 1
319 1 1 70 VAL HA 1 1 71 ILE H -1.1169 -1.4169 -0.8169 . . 62 . HA . 63 . HN 1 1
320 1 1 67 PHE HA 1 1 68 VAL H -0.7739 -1.0739 -0.4739 . . 59 . HA . 60 . HN 1 1
321 1 1 16 VAL HA 1 1 17 ILE H -0.363574 -0.963574 0.236426 . . 8 . HA . 9 . HN 1 1
322 1 1 52 ASN HA 1 1 53 GLY H -0.4475 -0.7475 -0.1475 . . 44 . HA . 45 . HN 1 1
323 1 1 51 VAL HA 1 1 52 ASN H -0.3112 -0.6112 -0.0112 . . 43 . HA . 44 . HN 1 1
324 1 1 69 GLU HA 1 1 70 VAL H -0.3896 -0.6896 -0.0896 . . 61 . HA . 62 . HN 1 1
325 1 1 13 LYS HA 1 1 14 VAL H -1.367 -1.667 -1.067 . . 5 . HA . 6 . HN 1 1
326 1 1 24 GLU HA 1 1 25 ILE H 0.15 -0.45 0.75 . . 16 . HA . 17 . HN 1 1
327 1 1 22 GLU HA 1 1 23 LYS H -0.2725 -0.8725 0.3275 . . 14 . HA . 15 . HN 1 1
328 1 1 32 LYS HA 1 1 33 VAL H -0.0954 -0.3954 0.2046 . . 24 . HA . 25 . HN 1 1
329 1 1 54 LYS HA 1 1 55 VAL H -0.3173 -0.6173 -0.0173 . . 46 . HA . 47 . HN 1 1
330 1 1 15 LYS HA 1 1 16 VAL H -0.8575 -1.1575 -0.5575 . . 7 . HA . 8 . HN 1 1
331 1 1 25 ILE HA 1 1 26 GLU H -0.1986 -0.7986 0.4014 . . 17 . HA . 18 . HN 1 1
332 1 1 14 VAL HA 1 1 15 LYS H -0.2153 -0.5153 0.0847 . . 6 . HA . 7 . HN 1 1
333 1 1 21 ILE HA 1 1 22 GLU H -0.8523 -1.1523 -0.5523 . . 13 . HA . 14 . HN 1 1
334 1 1 50 LYS HA 1 1 51 VAL H -1.0389 -1.3389 -0.7389 . . 42 . HA . 43 . HN 1 1
335 1 1 12 ILE HA 1 1 13 LYS H -0.225 -0.525 0.075 . . 4 . HA . 5 . HN 1 1
336 1 1 73 VAL HA 1 1 74 VAL H -0.4986 -0.7986 -0.1986 . . 65 . HA . 66 . HN 1 1
337 1 1 46 SER HA 1 1 47 ALA H 0.3327 0.0327 0.6327 . . 38 . HA . 39 . HN 1 1
338 1 1 55 VAL HA 1 1 56 VAL H 0.766 0.466 1.066 . . 47 . HA . 48 . HN 1 1
339 1 1 66 ASP HA 1 1 67 PHE H -0.5501 -0.8501 -0.2501 . . 58 . HA . 59 . HN 1 1
340 1 1 23 LYS HA 1 1 24 GLU H -0.2517 -0.5517 0.0483 . . 15 . HA . 16 . HN 1 1
341 1 1 56 VAL HA 1 1 57 LEU H 0.3826 0.0826 0.6826 . . 48 . HA . 49 . HN 1 1
342 1 1 74 VAL HA 1 1 75 SER H -0.2466 -0.5466 0.0534 . . 66 . HA . 67 . HN 1 1
343 1 1 60 ASP HA 1 1 61 GLU H -0.7971 -1.0971 -0.4971 . . 52 . HA . 53 . HN 1 1
344 1 1 10 LYS HA 1 1 11 MET H -0.2512 -0.5512 0.0488 . . 2 . HA . 3 . HN 1 1
345 1 1 44 THR HA 1 1 45 GLU H -0.1793 -0.4793 0.1207 . . 36 . HA . 37 . HN 1 1
346 1 1 49 ALA HA 1 1 50 LYS H -0.0932 -0.3932 0.2068 . . 41 . HA . 42 . HN 1 1
347 1 1 47 ALA HA 1 1 48 ILE H 0.1051 -0.1949 0.4051 . . 39 . HA . 40 . HN 1 1
348 1 1 36 ILE HA 1 1 37 LEU H -0.4423 -0.7423 -0.1423 . . 28 . HA . 29 . HN 1 1
349 1 1 33 VAL HA 1 1 34 ARG H 0.0394 -0.2606 0.3394 . . 25 . HA . 26 . HN 1 1
350 1 1 17 ILE HA 1 1 18 GLY H 0.0552 -0.2448 0.3552 . . 9 . HA . 10 . HN 1 1
351 1 1 29 GLU HA 1 1 30 GLY H -0.8527 -1.1527 -0.5527 . . 21 . HA . 22 . HN 1 1
352 1 1 57 LEU HA 1 1 58 GLU H 0.6215 0.3215 0.9215 . . 49 . HA . 50 . HN 1 1
353 1 1 75 SER HA 1 1 76 GLY H -0.3387 -0.6387 -0.0387 . . 67 . HA . 68 . HN 1 1
354 1 1 43 ASN HA 1 1 44 THR H 0.0261 -0.2739 0.3261 . . 35 . HA . 36 . HN 1 1
355 1 1 42 PHE HA 1 1 43 ASN H 0.2042 -0.0958 0.5042 . . 34 . HA . 35 . HN 1 1
356 1 1 64 ASP HA 1 1 65 GLY H 0.2861 -0.0139 0.5861 . . 56 . HA . 57 . HN 1 1
357 1 1 58 GLU HA 1 1 59 ASP H 0.0345 -0.2655 0.3345 . . 50 . HA . 51 . HN 1 1
358 1 1 61 GLU HA 1 1 62 VAL H -0.1556 -0.4556 0.1444 . . 53 . HA . 54 . HN 1 1
359 1 1 27 TRP HA 1 1 28 ARG H 0.0148 -0.2852 0.3148 . . 19 . HA . 20 . HN 1 1
360 1 1 35 ASP HA 1 1 36 ILE H 0.0772 -0.2228 0.3772 . . 27 . HA . 28 . HN 1 1
361 1 1 38 ARG HA 1 1 39 ALA H -0.1765 -0.4765 0.1235 . . 30 . HA . 31 . HN 1 1
362 1 1 28 ARG HA 1 1 29 GLU H 0.3463 0.0463 0.6463 . . 20 . HA . 21 . HN 1 1
363 1 1 59 ASP HA 1 1 60 ASP H 0.0362 -0.2638 0.3362 . . 51 . HA . 52 . HN 1 1
364 1 1 34 ARG HA 1 1 35 ASP H 0.1749 -0.1251 0.4749 . . 26 . HA . 27 . HN 1 1
365 1 1 37 LEU HA 1 1 38 ARG H 0.1996 -0.1004 0.4996 . . 29 . HA . 30 . HN 1 1
366 1 1 20 ASN HA 1 1 21 ILE H 0.459 0.159 0.759 . . 12 . HA . 13 . HN 1 1
367 1 1 39 ALA HA 1 1 40 VAL H -0.3701 -0.6701 -0.0701 . . 31 . HA . 32 . HN 1 1
368 1 1 40 VAL HA 1 1 41 GLY H -0.0083 -0.3083 0.2917 . . 32 . HA . 33 . HN 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 10 LYS C C -0.609 -1.737 -1.229 1.00 . A A . 2 LYS C 1 1
1 2 1 1 10 LYS CA C -0.004 -2.717 -0.233 1.00 . A A . 2 LYS CA 1 1
1 3 1 1 10 LYS CB C 0.306 -4.000 -1.011 1.00 . A A . 2 LYS CB 1 1
1 4 1 1 10 LYS H H -0.461 -3.223 1.734 1.00 . A A . 2 LYS H 1 1
1 5 1 1 10 LYS HA H 0.903 -2.269 0.175 1.00 . A A . 2 LYS HA 1 1
1 6 1 1 10 LYS N N -0.977 -2.995 0.861 1.00 . A A . 2 LYS N 1 1
1 7 1 1 10 LYS O O -1.626 -1.978 -1.850 1.00 . A A . 2 LYS O 1 1
1 8 1 1 11 MET C C 0.577 0.633 -3.380 1.00 . A A . 3 MET C 1 1
1 9 1 1 11 MET CA C -0.446 0.451 -2.260 1.00 . A A . 3 MET CA 1 1
1 10 1 1 11 MET CB C -0.587 1.760 -1.481 1.00 . A A . 3 MET CB 1 1
1 11 1 1 11 MET H H 0.903 -0.527 -0.930 1.00 . A A . 3 MET H 1 1
1 12 1 1 11 MET HA H -1.405 0.172 -2.671 1.00 . A A . 3 MET HA 1 1
1 13 1 1 11 MET N N 0.032 -0.617 -1.346 1.00 . A A . 3 MET N 1 1
1 14 1 1 11 MET O O 1.707 0.198 -3.291 1.00 . A A . 3 MET O 1 1
1 15 1 1 12 ILE C C 1.333 2.753 -5.986 1.00 . A A . 4 ILE C 1 1
1 16 1 1 12 ILE CA C 1.022 1.290 -5.669 1.00 . A A . 4 ILE CA 1 1
1 17 1 1 12 ILE CB C 0.294 0.678 -6.868 1.00 . A A . 4 ILE CB 1 1
1 18 1 1 12 ILE H H -0.816 1.398 -4.532 1.00 . A A . 4 ILE H 1 1
1 19 1 1 12 ILE HA H 1.959 0.768 -5.534 1.00 . A A . 4 ILE HA 1 1
1 20 1 1 12 ILE N N 0.138 1.178 -4.474 1.00 . A A . 4 ILE N 1 1
1 21 1 1 12 ILE O O 0.686 3.670 -5.520 1.00 . A A . 4 ILE O 1 1
1 22 1 1 13 LYS C C 3.036 4.197 -8.734 1.00 . A A . 5 LYS C 1 1
1 23 1 1 13 LYS CA C 2.762 4.311 -7.251 1.00 . A A . 5 LYS CA 1 1
1 24 1 1 13 LYS CB C 4.058 4.683 -6.526 1.00 . A A . 5 LYS CB 1 1
1 25 1 1 13 LYS H H 2.949 2.215 -6.998 1.00 . A A . 5 LYS H 1 1
1 26 1 1 13 LYS HA H 2.030 5.098 -7.098 1.00 . A A . 5 LYS HA 1 1
1 27 1 1 13 LYS N N 2.331 2.951 -6.811 1.00 . A A . 5 LYS N 1 1
1 28 1 1 13 LYS O O 3.424 3.164 -9.228 1.00 . A A . 5 LYS O 1 1
1 29 1 1 14 VAL C C 3.491 6.400 -11.492 1.00 . A A . 6 VAL C 1 1
1 30 1 1 14 VAL CA C 2.775 5.160 -10.942 1.00 . A A . 6 VAL CA 1 1
1 31 1 1 14 VAL CB C 1.368 5.074 -11.535 1.00 . A A . 6 VAL CB 1 1
1 32 1 1 14 VAL H H 2.204 5.941 -9.061 1.00 . A A . 6 VAL H 1 1
1 33 1 1 14 VAL HA H 3.328 4.287 -11.204 1.00 . A A . 6 VAL HA 1 1
1 34 1 1 14 VAL N N 2.688 5.215 -9.454 1.00 . A A . 6 VAL N 1 1
1 35 1 1 14 VAL O O 3.226 7.513 -11.086 1.00 . A A . 6 VAL O 1 1
1 36 1 1 15 LYS C C 5.251 7.114 -14.568 1.00 . A A . 7 LYS C 1 1
1 37 1 1 15 LYS CA C 5.074 7.375 -13.072 1.00 . A A . 7 LYS CA 1 1
1 38 1 1 15 LYS CB C 6.461 7.536 -12.444 1.00 . A A . 7 LYS CB 1 1
1 39 1 1 15 LYS H H 4.612 5.303 -12.698 1.00 . A A . 7 LYS H 1 1
1 40 1 1 15 LYS HA H 4.471 8.263 -12.949 1.00 . A A . 7 LYS HA 1 1
1 41 1 1 15 LYS N N 4.369 6.216 -12.449 1.00 . A A . 7 LYS N 1 1
1 42 1 1 15 LYS O O 5.160 5.995 -15.025 1.00 . A A . 7 LYS O 1 1
1 43 1 1 16 VAL C C 6.930 7.805 -17.242 1.00 . A A . 8 VAL C 1 1
1 44 1 1 16 VAL CA C 5.488 7.982 -16.836 1.00 . A A . 8 VAL CA 1 1
1 45 1 1 16 VAL CB C 4.816 9.131 -17.589 1.00 . A A . 8 VAL CB 1 1
1 46 1 1 16 VAL H H 5.286 9.022 -14.993 1.00 . A A . 8 VAL H 1 1
1 47 1 1 16 VAL HA H 5.013 7.062 -17.025 1.00 . A A . 8 VAL HA 1 1
1 48 1 1 16 VAL N N 5.385 8.146 -15.361 1.00 . A A . 8 VAL N 1 1
1 49 1 1 16 VAL O O 7.812 8.285 -16.560 1.00 . A A . 8 VAL O 1 1
1 50 1 1 17 ILE C C 9.462 7.347 -17.514 1.00 . A A . 9 ILE C 1 1
1 51 1 1 17 ILE CA C 8.538 6.232 -18.028 1.00 . A A . 9 ILE CA 1 1
1 52 1 1 17 ILE CB C 8.945 5.808 -19.437 1.00 . A A . 9 ILE CB 1 1
1 53 1 1 17 ILE H H 6.356 6.352 -18.520 1.00 . A A . 9 ILE H 1 1
1 54 1 1 17 ILE HA H 8.650 5.411 -17.332 1.00 . A A . 9 ILE HA 1 1
1 55 1 1 17 ILE N N 7.135 6.775 -18.020 1.00 . A A . 9 ILE N 1 1
1 56 1 1 17 ILE O O 9.417 8.444 -18.035 1.00 . A A . 9 ILE O 1 1
1 57 1 1 18 GLY C C 10.561 9.531 -16.236 1.00 . A A . 10 GLY C 1 1
1 58 1 1 18 GLY CA C 11.310 8.199 -16.230 1.00 . A A . 10 GLY CA 1 1
1 59 1 1 18 GLY H H 10.400 6.272 -16.034 1.00 . A A . 10 GLY H 1 1
1 60 1 1 18 GLY HA2 H 11.715 8.017 -15.245 1.00 . A A . 10 GLY HA2 1 1
1 61 1 1 18 GLY HA3 H 12.114 8.241 -16.946 1.00 . A A . 10 GLY HA3 1 1
1 62 1 1 18 GLY N N 10.377 7.094 -16.595 1.00 . A A . 10 GLY N 1 1
1 63 1 1 18 GLY O O 10.978 10.497 -16.844 1.00 . A A . 10 GLY O 1 1
1 64 1 1 19 ARG C C 8.925 11.532 -14.090 1.00 . A A . 11 ARG C 1 1
1 65 1 1 19 ARG CA C 8.684 10.849 -15.435 1.00 . A A . 11 ARG CA 1 1
1 66 1 1 19 ARG CB C 7.195 10.527 -15.571 1.00 . A A . 11 ARG CB 1 1
1 67 1 1 19 ARG H H 9.215 8.799 -15.007 1.00 . A A . 11 ARG H 1 1
1 68 1 1 19 ARG HA H 8.974 11.518 -16.229 1.00 . A A . 11 ARG HA 1 1
1 69 1 1 19 ARG N N 9.472 9.587 -15.529 1.00 . A A . 11 ARG N 1 1
1 70 1 1 19 ARG O O 8.636 12.701 -13.926 1.00 . A A . 11 ARG O 1 1
1 71 1 1 20 ASN C C 8.723 11.334 -10.837 1.00 . A A . 12 ASN C 1 1
1 72 1 1 20 ASN CA C 9.865 11.453 -11.837 1.00 . A A . 12 ASN CA 1 1
1 73 1 1 20 ASN CB C 10.193 12.933 -12.042 1.00 . A A . 12 ASN CB 1 1
1 74 1 1 20 ASN H H 9.896 9.972 -13.316 1.00 . A A . 12 ASN H 1 1
1 75 1 1 20 ASN HA H 10.765 10.932 -11.566 1.00 . A A . 12 ASN HA 1 1
1 76 1 1 20 ASN N N 9.515 10.850 -13.144 1.00 . A A . 12 ASN N 1 1
1 77 1 1 20 ASN O O 8.252 12.332 -10.330 1.00 . A A . 12 ASN O 1 1
1 78 1 1 21 ILE C C 7.211 9.170 -8.520 1.00 . A A . 13 ILE C 1 1
1 79 1 1 21 ILE CA C 7.019 10.112 -9.704 1.00 . A A . 13 ILE CA 1 1
1 80 1 1 21 ILE CB C 5.735 9.772 -10.463 1.00 . A A . 13 ILE CB 1 1
1 81 1 1 21 ILE H H 8.581 9.363 -11.027 1.00 . A A . 13 ILE H 1 1
1 82 1 1 21 ILE HA H 6.911 11.098 -9.285 1.00 . A A . 13 ILE HA 1 1
1 83 1 1 21 ILE N N 8.205 10.164 -10.607 1.00 . A A . 13 ILE N 1 1
1 84 1 1 21 ILE O O 6.869 8.004 -8.526 1.00 . A A . 13 ILE O 1 1
1 85 1 1 22 GLU C C 6.766 9.355 -5.204 1.00 . A A . 14 GLU C 1 1
1 86 1 1 22 GLU CA C 7.949 9.142 -6.139 1.00 . A A . 14 GLU CA 1 1
1 87 1 1 22 GLU CB C 9.166 9.830 -5.518 1.00 . A A . 14 GLU CB 1 1
1 88 1 1 22 GLU H H 8.021 10.677 -7.595 1.00 . A A . 14 GLU H 1 1
1 89 1 1 22 GLU HA H 8.155 8.094 -6.187 1.00 . A A . 14 GLU HA 1 1
1 90 1 1 22 GLU N N 7.706 9.767 -7.478 1.00 . A A . 14 GLU N 1 1
1 91 1 1 22 GLU O O 6.262 10.451 -5.061 1.00 . A A . 14 GLU O 1 1
1 92 1 1 23 LYS C C 5.396 7.244 -2.582 1.00 . A A . 15 LYS C 1 1
1 93 1 1 23 LYS CA C 5.280 8.460 -3.506 1.00 . A A . 15 LYS CA 1 1
1 94 1 1 23 LYS CB C 3.935 8.399 -4.232 1.00 . A A . 15 LYS CB 1 1
1 95 1 1 23 LYS H H 6.757 7.443 -4.657 1.00 . A A . 15 LYS H 1 1
1 96 1 1 23 LYS HA H 5.395 9.441 -3.063 1.00 . A A . 15 LYS HA 1 1
1 97 1 1 23 LYS N N 6.369 8.323 -4.504 1.00 . A A . 15 LYS N 1 1
1 98 1 1 23 LYS O O 5.011 6.169 -2.995 1.00 . A A . 15 LYS O 1 1
1 99 1 1 24 GLU C C 5.096 5.124 -0.819 1.00 . A A . 16 GLU C 1 1
1 100 1 1 24 GLU CA C 6.347 6.005 -0.755 1.00 . A A . 16 GLU CA 1 1
1 101 1 1 24 GLU CB C 6.723 6.282 0.702 1.00 . A A . 16 GLU CB 1 1
1 102 1 1 24 GLU H H 6.603 8.110 -1.257 1.00 . A A . 16 GLU H 1 1
1 103 1 1 24 GLU HA H 7.145 5.463 -1.249 1.00 . A A . 16 GLU HA 1 1
1 104 1 1 24 GLU N N 6.094 7.296 -1.479 1.00 . A A . 16 GLU N 1 1
1 105 1 1 24 GLU O O 4.072 5.529 -1.331 1.00 . A A . 16 GLU O 1 1
1 106 1 1 25 ILE C C 4.049 1.678 0.107 1.00 . A A . 17 ILE C 1 1
1 107 1 1 25 ILE CA C 4.039 2.951 -0.770 1.00 . A A . 17 ILE CA 1 1
1 108 1 1 25 ILE CB C 4.178 2.512 -2.229 1.00 . A A . 17 ILE CB 1 1
1 109 1 1 25 ILE H H 6.111 3.534 -0.250 1.00 . A A . 17 ILE H 1 1
1 110 1 1 25 ILE HA H 3.102 3.513 -0.676 1.00 . A A . 17 ILE HA 1 1
1 111 1 1 25 ILE N N 5.200 3.862 -0.449 1.00 . A A . 17 ILE N 1 1
1 112 1 1 25 ILE O O 5.028 0.963 0.036 1.00 . A A . 17 ILE O 1 1
1 113 1 1 26 GLU C C 3.530 -1.098 1.009 1.00 . A A . 18 GLU C 1 1
1 114 1 1 26 GLU CA C 3.291 0.149 1.876 1.00 . A A . 18 GLU CA 1 1
1 115 1 1 26 GLU CB C 2.031 -0.046 2.721 1.00 . A A . 18 GLU CB 1 1
1 116 1 1 26 GLU H H 2.329 1.885 1.105 1.00 . A A . 18 GLU H 1 1
1 117 1 1 26 GLU HA H 4.147 0.294 2.527 1.00 . A A . 18 GLU HA 1 1
1 118 1 1 26 GLU N N 3.124 1.353 0.992 1.00 . A A . 18 GLU N 1 1
1 119 1 1 26 GLU O O 4.273 -1.074 0.048 1.00 . A A . 18 GLU O 1 1
1 120 1 1 27 TRP C C 2.150 -4.479 1.311 1.00 . A A . 19 TRP C 1 1
1 121 1 1 27 TRP CA C 3.050 -3.467 0.589 1.00 . A A . 19 TRP CA 1 1
1 122 1 1 27 TRP CB C 4.506 -3.936 0.630 1.00 . A A . 19 TRP CB 1 1
1 123 1 1 27 TRP H H 2.299 -2.165 2.127 1.00 . A A . 19 TRP H 1 1
1 124 1 1 27 TRP HA H 2.731 -3.320 -0.440 1.00 . A A . 19 TRP HA 1 1
1 125 1 1 27 TRP N N 2.899 -2.188 1.351 1.00 . A A . 19 TRP N 1 1
1 126 1 1 27 TRP O O 1.255 -4.051 2.013 1.00 . A A . 19 TRP O 1 1
1 127 1 1 28 ARG C C 1.219 -8.073 1.699 1.00 . A A . 20 ARG C 1 1
1 128 1 1 28 ARG CA C 1.013 -6.542 1.603 1.00 . A A . 20 ARG CA 1 1
1 129 1 1 28 ARG CB C -0.293 -6.222 0.874 1.00 . A A . 20 ARG CB 1 1
1 130 1 1 28 ARG H H 2.602 -6.070 0.215 1.00 . A A . 20 ARG H 1 1
1 131 1 1 28 ARG HA H 0.937 -6.275 2.642 1.00 . A A . 20 ARG HA 1 1
1 132 1 1 28 ARG N N 2.163 -5.766 1.036 1.00 . A A . 20 ARG N 1 1
1 133 1 1 28 ARG O O 2.099 -8.496 2.424 1.00 . A A . 20 ARG O 1 1
1 134 1 1 29 GLU C C -0.297 -11.251 0.472 1.00 . A A . 21 GLU C 1 1
1 135 1 1 29 GLU CA C 0.670 -10.410 1.326 1.00 . A A . 21 GLU CA 1 1
1 136 1 1 29 GLU CB C 0.464 -10.728 2.808 1.00 . A A . 21 GLU CB 1 1
1 137 1 1 29 GLU H H -0.024 -8.718 0.246 1.00 . A A . 21 GLU H 1 1
1 138 1 1 29 GLU HA H 1.669 -10.692 1.025 1.00 . A A . 21 GLU HA 1 1
1 139 1 1 29 GLU N N 0.432 -8.948 1.080 1.00 . A A . 21 GLU N 1 1
1 140 1 1 29 GLU O O -1.498 -11.205 0.649 1.00 . A A . 21 GLU O 1 1
1 141 1 1 30 GLY C C -0.744 -12.106 -2.779 1.00 . A A . 22 GLY C 1 1
1 142 1 1 30 GLY CA C -0.665 -12.776 -1.396 1.00 . A A . 22 GLY CA 1 1
1 143 1 1 30 GLY H H 1.159 -11.864 -0.762 1.00 . A A . 22 GLY H 1 1
1 144 1 1 30 GLY HA2 H -0.264 -13.774 -1.504 1.00 . A A . 22 GLY HA2 1 1
1 145 1 1 30 GLY HA3 H -1.655 -12.832 -0.969 1.00 . A A . 22 GLY HA3 1 1
1 146 1 1 30 GLY N N 0.224 -11.979 -0.490 1.00 . A A . 22 GLY N 1 1
1 147 1 1 30 GLY O O -0.997 -12.734 -3.789 1.00 . A A . 22 GLY O 1 1
1 148 1 1 31 MET C C 0.695 -10.296 -4.784 1.00 . A A . 23 MET C 1 1
1 149 1 1 31 MET CA C -0.639 -10.044 -4.087 1.00 . A A . 23 MET CA 1 1
1 150 1 1 31 MET CB C -0.675 -8.559 -3.718 1.00 . A A . 23 MET CB 1 1
1 151 1 1 31 MET H H -0.339 -10.421 -1.903 1.00 . A A . 23 MET H 1 1
1 152 1 1 31 MET HA H -1.598 -10.265 -4.685 1.00 . A A . 23 MET HA 1 1
1 153 1 1 31 MET N N -0.554 -10.821 -2.793 1.00 . A A . 23 MET N 1 1
1 154 1 1 31 MET O O 1.308 -11.343 -4.713 1.00 . A A . 23 MET O 1 1
1 155 1 1 32 LYS C C 2.083 -8.301 -7.495 1.00 . A A . 24 LYS C 1 1
1 156 1 1 32 LYS CA C 1.628 -9.678 -6.967 1.00 . A A . 24 LYS CA 1 1
1 157 1 1 32 LYS CB C 0.796 -10.346 -8.064 1.00 . A A . 24 LYS CB 1 1
1 158 1 1 32 LYS H H -0.075 -9.081 -5.818 1.00 . A A . 24 LYS H 1 1
1 159 1 1 32 LYS HA H 2.460 -10.305 -6.763 1.00 . A A . 24 LYS HA 1 1
1 160 1 1 32 LYS N N 0.759 -9.516 -5.779 1.00 . A A . 24 LYS N 1 1
1 161 1 1 32 LYS O O 1.316 -7.361 -7.436 1.00 . A A . 24 LYS O 1 1
1 162 1 1 33 VAL C C 2.078 -6.615 -9.857 1.00 . A A . 25 VAL C 1 1
1 163 1 1 33 VAL CA C 3.360 -7.002 -9.128 1.00 . A A . 25 VAL CA 1 1
1 164 1 1 33 VAL CB C 4.360 -7.321 -10.240 1.00 . A A . 25 VAL CB 1 1
1 165 1 1 33 VAL H H 3.727 -8.998 -8.435 1.00 . A A . 25 VAL H 1 1
1 166 1 1 33 VAL HA H 3.723 -6.152 -8.571 1.00 . A A . 25 VAL HA 1 1
1 167 1 1 33 VAL N N 3.141 -8.223 -8.284 1.00 . A A . 25 VAL N 1 1
1 168 1 1 33 VAL O O 1.633 -5.486 -9.794 1.00 . A A . 25 VAL O 1 1
1 169 1 1 34 ARG C C -0.530 -6.277 -10.837 1.00 . A A . 26 ARG C 1 1
1 170 1 1 34 ARG CA C 0.479 -7.129 -11.602 1.00 . A A . 26 ARG CA 1 1
1 171 1 1 34 ARG CB C -0.217 -8.417 -12.046 1.00 . A A . 26 ARG CB 1 1
1 172 1 1 34 ARG H H 1.964 -8.388 -10.765 1.00 . A A . 26 ARG H 1 1
1 173 1 1 34 ARG HA H 0.859 -6.621 -12.487 1.00 . A A . 26 ARG HA 1 1
1 174 1 1 34 ARG N N 1.594 -7.489 -10.696 1.00 . A A . 26 ARG N 1 1
1 175 1 1 34 ARG O O -0.730 -5.115 -11.129 1.00 . A A . 26 ARG O 1 1
1 176 1 1 35 ASP C C -1.527 -4.594 -8.765 1.00 . A A . 27 ASP C 1 1
1 177 1 1 35 ASP CA C -2.088 -5.997 -9.014 1.00 . A A . 27 ASP CA 1 1
1 178 1 1 35 ASP CB C -2.375 -6.682 -7.677 1.00 . A A . 27 ASP CB 1 1
1 179 1 1 35 ASP H H -1.034 -7.829 -9.657 1.00 . A A . 27 ASP H 1 1
1 180 1 1 35 ASP HA H -3.021 -5.842 -9.552 1.00 . A A . 27 ASP HA 1 1
1 181 1 1 35 ASP N N -1.131 -6.837 -9.821 1.00 . A A . 27 ASP N 1 1
1 182 1 1 35 ASP O O -2.136 -3.624 -9.169 1.00 . A A . 27 ASP O 1 1
1 183 1 1 36 ILE C C -0.200 -2.191 -8.984 1.00 . A A . 28 ILE C 1 1
1 184 1 1 36 ILE CA C -0.056 -3.026 -7.707 1.00 . A A . 28 ILE CA 1 1
1 185 1 1 36 ILE CB C 1.363 -2.959 -7.138 1.00 . A A . 28 ILE CB 1 1
1 186 1 1 36 ILE H H -0.010 -5.201 -7.627 1.00 . A A . 28 ILE H 1 1
1 187 1 1 36 ILE HA H -0.774 -2.623 -7.030 1.00 . A A . 28 ILE HA 1 1
1 188 1 1 36 ILE N N -0.468 -4.428 -8.019 1.00 . A A . 28 ILE N 1 1
1 189 1 1 36 ILE O O -0.681 -1.075 -8.981 1.00 . A A . 28 ILE O 1 1
1 190 1 1 37 LEU C C -1.502 -2.008 -11.721 1.00 . A A . 29 LEU C 1 1
1 191 1 1 37 LEU CA C -0.007 -2.137 -11.408 1.00 . A A . 29 LEU CA 1 1
1 192 1 1 37 LEU CB C 0.690 -2.989 -12.469 1.00 . A A . 29 LEU CB 1 1
1 193 1 1 37 LEU H H 0.542 -3.672 -10.000 1.00 . A A . 29 LEU H 1 1
1 194 1 1 37 LEU HA H 0.430 -1.153 -11.392 1.00 . A A . 29 LEU HA 1 1
1 195 1 1 37 LEU N N 0.151 -2.788 -10.072 1.00 . A A . 29 LEU N 1 1
1 196 1 1 37 LEU O O -1.971 -0.980 -12.167 1.00 . A A . 29 LEU O 1 1
1 197 1 1 38 ARG C C -4.228 -1.630 -10.618 1.00 . A A . 30 ARG C 1 1
1 198 1 1 38 ARG CA C -3.752 -2.872 -11.375 1.00 . A A . 30 ARG CA 1 1
1 199 1 1 38 ARG CB C -4.397 -4.107 -10.747 1.00 . A A . 30 ARG CB 1 1
1 200 1 1 38 ARG H H -1.854 -3.734 -10.844 1.00 . A A . 30 ARG H 1 1
1 201 1 1 38 ARG HA H -4.065 -2.810 -12.399 1.00 . A A . 30 ARG HA 1 1
1 202 1 1 38 ARG N N -2.263 -2.981 -11.309 1.00 . A A . 30 ARG N 1 1
1 203 1 1 38 ARG O O -5.195 -1.004 -11.004 1.00 . A A . 30 ARG O 1 1
1 204 1 1 39 ALA C C -3.881 1.172 -9.828 1.00 . A A . 31 ALA C 1 1
1 205 1 1 39 ALA CA C -4.028 0.006 -8.848 1.00 . A A . 31 ALA CA 1 1
1 206 1 1 39 ALA CB C -3.276 0.251 -7.538 1.00 . A A . 31 ALA CB 1 1
1 207 1 1 39 ALA H H -2.688 -1.674 -9.367 1.00 . A A . 31 ALA H 1 1
1 208 1 1 39 ALA HA H -5.085 -0.042 -8.708 1.00 . A A . 31 ALA HA 1 1
1 209 1 1 39 ALA N N -3.559 -1.239 -9.562 1.00 . A A . 31 ALA N 1 1
1 210 1 1 39 ALA O O -4.515 2.202 -9.720 1.00 . A A . 31 ALA O 1 1
1 211 1 1 40 VAL C C -4.210 1.608 -12.929 1.00 . A A . 32 VAL C 1 1
1 212 1 1 40 VAL CA C -3.075 1.913 -11.952 1.00 . A A . 32 VAL CA 1 1
1 213 1 1 40 VAL CB C -1.729 1.798 -12.669 1.00 . A A . 32 VAL CB 1 1
1 214 1 1 40 VAL H H -2.876 -0.015 -11.014 1.00 . A A . 32 VAL H 1 1
1 215 1 1 40 VAL HA H -3.196 2.917 -11.558 1.00 . A A . 32 VAL HA 1 1
1 216 1 1 40 VAL N N -3.150 0.909 -10.862 1.00 . A A . 32 VAL N 1 1
1 217 1 1 40 VAL O O -4.420 2.328 -13.885 1.00 . A A . 32 VAL O 1 1
1 218 1 1 41 GLY C C -4.974 -0.395 -15.009 1.00 . A A . 33 GLY C 1 1
1 219 1 1 41 GLY CA C -5.822 0.051 -13.827 1.00 . A A . 33 GLY CA 1 1
1 220 1 1 41 GLY H H -4.510 -0.200 -12.155 1.00 . A A . 33 GLY H 1 1
1 221 1 1 41 GLY HA2 H -6.424 -0.769 -13.463 1.00 . A A . 33 GLY HA2 1 1
1 222 1 1 41 GLY HA3 H -6.448 0.883 -14.110 1.00 . A A . 33 GLY HA3 1 1
1 223 1 1 41 GLY N N -4.839 0.468 -12.794 1.00 . A A . 33 GLY N 1 1
1 224 1 1 41 GLY O O -5.294 -0.161 -16.158 1.00 . A A . 33 GLY O 1 1
1 225 1 1 42 PHE C C -1.887 -2.318 -15.204 1.00 . A A . 34 PHE C 1 1
1 226 1 1 42 PHE CA C -2.761 -1.168 -15.738 1.00 . A A . 34 PHE CA 1 1
1 227 1 1 42 PHE CB C -1.878 0.071 -15.900 1.00 . A A . 34 PHE CB 1 1
1 228 1 1 42 PHE H H -3.551 -0.950 -13.746 1.00 . A A . 34 PHE H 1 1
1 229 1 1 42 PHE HA H -3.210 -1.394 -16.713 1.00 . A A . 34 PHE HA 1 1
1 230 1 1 42 PHE N N -3.792 -0.871 -14.697 1.00 . A A . 34 PHE N 1 1
1 231 1 1 42 PHE O O -0.865 -2.059 -14.603 1.00 . A A . 34 PHE O 1 1
1 232 1 1 43 ASN C C 0.235 -4.083 -16.225 1.00 . A A . 35 ASN C 1 1
1 233 1 1 43 ASN CA C -1.014 -4.557 -15.471 1.00 . A A . 35 ASN CA 1 1
1 234 1 1 43 ASN CB C -1.484 -5.892 -16.052 1.00 . A A . 35 ASN CB 1 1
1 235 1 1 43 ASN H H -2.734 -3.667 -16.359 1.00 . A A . 35 ASN H 1 1
1 236 1 1 43 ASN HA H -0.729 -4.692 -14.441 1.00 . A A . 35 ASN HA 1 1
1 237 1 1 43 ASN N N -2.091 -3.530 -15.645 1.00 . A A . 35 ASN N 1 1
1 238 1 1 43 ASN O O 0.744 -4.749 -17.105 1.00 . A A . 35 ASN O 1 1
1 239 1 1 44 THR C C 1.253 -2.460 -18.369 1.00 . A A . 36 THR C 1 1
1 240 1 1 44 THR CA C 1.625 -2.225 -16.903 1.00 . A A . 36 THR CA 1 1
1 241 1 1 44 THR CB C 2.940 -2.961 -16.637 1.00 . A A . 36 THR CB 1 1
1 242 1 1 44 THR H H -0.115 -2.279 -15.596 1.00 . A A . 36 THR H 1 1
1 243 1 1 44 THR HA H 1.762 -1.193 -16.615 1.00 . A A . 36 THR HA 1 1
1 244 1 1 44 THR N N 0.572 -2.839 -16.023 1.00 . A A . 36 THR N 1 1
1 245 1 1 44 THR O O 1.745 -3.423 -18.924 1.00 . A A . 36 THR O 1 1
1 246 1 1 45 GLU C C 1.319 -1.104 -21.336 1.00 . A A . 37 GLU C 1 1
1 247 1 1 45 GLU CA C 0.373 -1.986 -20.540 1.00 . A A . 37 GLU CA 1 1
1 248 1 1 45 GLU CB C -1.065 -1.710 -20.985 1.00 . A A . 37 GLU CB 1 1
1 249 1 1 45 GLU H H 0.109 -0.793 -18.813 1.00 . A A . 37 GLU H 1 1
1 250 1 1 45 GLU HA H 0.613 -2.995 -20.741 1.00 . A A . 37 GLU HA 1 1
1 251 1 1 45 GLU N N 0.513 -1.648 -19.097 1.00 . A A . 37 GLU N 1 1
1 252 1 1 45 GLU O O 2.044 -1.493 -22.230 1.00 . A A . 37 GLU O 1 1
1 253 1 1 46 SER C C 3.496 1.297 -21.005 1.00 . A A . 38 SER C 1 1
1 254 1 1 46 SER CA C 2.052 1.234 -21.509 1.00 . A A . 38 SER CA 1 1
1 255 1 1 46 SER CB C 1.361 2.552 -21.158 1.00 . A A . 38 SER CB 1 1
1 256 1 1 46 SER H H 0.655 0.232 -20.160 1.00 . A A . 38 SER H 1 1
1 257 1 1 46 SER HA H 2.104 1.154 -22.580 1.00 . A A . 38 SER HA 1 1
1 258 1 1 46 SER N N 1.244 0.107 -20.929 1.00 . A A . 38 SER N 1 1
1 259 1 1 46 SER O O 3.882 2.249 -20.357 1.00 . A A . 38 SER O 1 1
1 260 1 1 47 ALA C C 6.486 -0.877 -20.716 1.00 . A A . 39 ALA C 1 1
1 261 1 1 47 ALA CA C 5.696 0.436 -20.755 1.00 . A A . 39 ALA CA 1 1
1 262 1 1 47 ALA CB C 5.600 0.920 -19.305 1.00 . A A . 39 ALA CB 1 1
1 263 1 1 47 ALA H H 3.893 -0.533 -21.630 1.00 . A A . 39 ALA H 1 1
1 264 1 1 47 ALA HA H 6.243 1.195 -21.301 1.00 . A A . 39 ALA HA 1 1
1 265 1 1 47 ALA N N 4.301 0.314 -21.304 1.00 . A A . 39 ALA N 1 1
1 266 1 1 47 ALA O O 5.980 -1.956 -20.954 1.00 . A A . 39 ALA O 1 1
1 267 1 1 48 ILE C C 8.685 -1.706 -18.157 1.00 . A A . 40 ILE C 1 1
1 268 1 1 48 ILE CA C 8.451 -1.926 -19.659 1.00 . A A . 40 ILE CA 1 1
1 269 1 1 48 ILE CB C 9.802 -1.874 -20.376 1.00 . A A . 40 ILE CB 1 1
1 270 1 1 48 ILE H H 7.939 0.153 -19.871 1.00 . A A . 40 ILE H 1 1
1 271 1 1 48 ILE HA H 7.967 -2.868 -19.895 1.00 . A A . 40 ILE HA 1 1
1 272 1 1 48 ILE N N 7.632 -0.756 -20.102 1.00 . A A . 40 ILE N 1 1
1 273 1 1 48 ILE O O 8.803 -0.565 -17.758 1.00 . A A . 40 ILE O 1 1
1 274 1 1 49 ALA C C 10.140 -2.668 -15.265 1.00 . A A . 41 ALA C 1 1
1 275 1 1 49 ALA CA C 8.778 -2.278 -15.851 1.00 . A A . 41 ALA CA 1 1
1 276 1 1 49 ALA CB C 7.680 -2.986 -15.055 1.00 . A A . 41 ALA CB 1 1
1 277 1 1 49 ALA H H 8.468 -3.625 -17.495 1.00 . A A . 41 ALA H 1 1
1 278 1 1 49 ALA HA H 8.619 -1.207 -15.787 1.00 . A A . 41 ALA HA 1 1
1 279 1 1 49 ALA N N 8.672 -2.687 -17.284 1.00 . A A . 41 ALA N 1 1
1 280 1 1 49 ALA O O 10.725 -3.662 -15.647 1.00 . A A . 41 ALA O 1 1
1 281 1 1 50 LYS C C 12.091 -1.824 -12.326 1.00 . A A . 42 LYS C 1 1
1 282 1 1 50 LYS CA C 12.003 -2.233 -13.810 1.00 . A A . 42 LYS CA 1 1
1 283 1 1 50 LYS CB C 13.067 -1.455 -14.588 1.00 . A A . 42 LYS CB 1 1
1 284 1 1 50 LYS H H 10.295 -0.990 -14.201 1.00 . A A . 42 LYS H 1 1
1 285 1 1 50 LYS HA H 12.158 -3.284 -13.979 1.00 . A A . 42 LYS HA 1 1
1 286 1 1 50 LYS N N 10.665 -1.884 -14.364 1.00 . A A . 42 LYS N 1 1
1 287 1 1 50 LYS O O 12.126 -0.643 -12.046 1.00 . A A . 42 LYS O 1 1
1 288 1 1 51 VAL C C 13.514 -2.323 -9.330 1.00 . A A . 43 VAL C 1 1
1 289 1 1 51 VAL CA C 12.103 -2.286 -9.914 1.00 . A A . 43 VAL CA 1 1
1 290 1 1 51 VAL CB C 11.187 -3.199 -9.097 1.00 . A A . 43 VAL CB 1 1
1 291 1 1 51 VAL H H 11.985 -3.655 -11.545 1.00 . A A . 43 VAL H 1 1
1 292 1 1 51 VAL HA H 11.748 -1.277 -9.853 1.00 . A A . 43 VAL HA 1 1
1 293 1 1 51 VAL N N 12.082 -2.709 -11.349 1.00 . A A . 43 VAL N 1 1
1 294 1 1 51 VAL O O 14.331 -3.151 -9.683 1.00 . A A . 43 VAL O 1 1
1 295 1 1 52 ASN C C 16.194 -1.239 -9.266 1.00 . A A . 44 ASN C 1 1
1 296 1 1 52 ASN CA C 15.229 -1.179 -8.078 1.00 . A A . 44 ASN CA 1 1
1 297 1 1 52 ASN CB C 15.557 -2.292 -7.081 1.00 . A A . 44 ASN CB 1 1
1 298 1 1 52 ASN H H 13.151 -0.663 -8.307 1.00 . A A . 44 ASN H 1 1
1 299 1 1 52 ASN HA H 15.305 -0.222 -7.597 1.00 . A A . 44 ASN HA 1 1
1 300 1 1 52 ASN N N 13.838 -1.324 -8.555 1.00 . A A . 44 ASN N 1 1
1 301 1 1 52 ASN O O 17.365 -1.518 -9.102 1.00 . A A . 44 ASN O 1 1
1 302 1 1 53 GLY C C 16.851 -2.108 -12.264 1.00 . A A . 45 GLY C 1 1
1 303 1 1 53 GLY CA C 16.763 -0.784 -11.522 1.00 . A A . 45 GLY CA 1 1
1 304 1 1 53 GLY H H 14.825 -0.542 -10.582 1.00 . A A . 45 GLY H 1 1
1 305 1 1 53 GLY HA2 H 16.524 0.016 -12.207 1.00 . A A . 45 GLY HA2 1 1
1 306 1 1 53 GLY HA3 H 17.715 -0.612 -11.066 1.00 . A A . 45 GLY HA3 1 1
1 307 1 1 53 GLY N N 15.751 -0.858 -10.432 1.00 . A A . 45 GLY N 1 1
1 308 1 1 53 GLY O O 17.581 -2.269 -13.222 1.00 . A A . 45 GLY O 1 1
1 309 1 1 54 LYS C C 14.828 -4.510 -13.297 1.00 . A A . 46 LYS C 1 1
1 310 1 1 54 LYS CA C 16.074 -4.404 -12.429 1.00 . A A . 46 LYS CA 1 1
1 311 1 1 54 LYS CB C 16.099 -5.505 -11.367 1.00 . A A . 46 LYS CB 1 1
1 312 1 1 54 LYS H H 15.578 -2.869 -11.001 1.00 . A A . 46 LYS H 1 1
1 313 1 1 54 LYS HA H 16.882 -4.523 -13.129 1.00 . A A . 46 LYS HA 1 1
1 314 1 1 54 LYS N N 16.095 -3.052 -11.805 1.00 . A A . 46 LYS N 1 1
1 315 1 1 54 LYS O O 13.809 -3.909 -13.035 1.00 . A A . 46 LYS O 1 1
1 316 1 1 55 VAL C C 12.920 -6.441 -15.023 1.00 . A A . 47 VAL C 1 1
1 317 1 1 55 VAL CA C 13.868 -5.298 -15.381 1.00 . A A . 47 VAL CA 1 1
1 318 1 1 55 VAL CB C 14.480 -5.590 -16.753 1.00 . A A . 47 VAL CB 1 1
1 319 1 1 55 VAL H H 15.812 -5.713 -14.557 1.00 . A A . 47 VAL H 1 1
1 320 1 1 55 VAL HA H 13.312 -4.370 -15.445 1.00 . A A . 47 VAL HA 1 1
1 321 1 1 55 VAL N N 14.973 -5.211 -14.381 1.00 . A A . 47 VAL N 1 1
1 322 1 1 55 VAL O O 13.247 -7.336 -14.269 1.00 . A A . 47 VAL O 1 1
1 323 1 1 56 VAL C C 9.699 -7.696 -16.211 1.00 . A A . 48 VAL C 1 1
1 324 1 1 56 VAL CA C 10.804 -7.475 -15.153 1.00 . A A . 48 VAL CA 1 1
1 325 1 1 56 VAL CB C 10.155 -7.136 -13.810 1.00 . A A . 48 VAL CB 1 1
1 326 1 1 56 VAL H H 11.424 -5.526 -15.943 1.00 . A A . 48 VAL H 1 1
1 327 1 1 56 VAL HA H 11.449 -8.338 -15.031 1.00 . A A . 48 VAL HA 1 1
1 328 1 1 56 VAL N N 11.735 -6.375 -15.542 1.00 . A A . 48 VAL N 1 1
1 329 1 1 56 VAL O O 9.597 -6.923 -17.143 1.00 . A A . 48 VAL O 1 1
1 330 1 1 57 LEU C C 6.330 -8.195 -16.043 1.00 . A A . 49 LEU C 1 1
1 331 1 1 57 LEU CA C 7.543 -8.637 -16.875 1.00 . A A . 49 LEU CA 1 1
1 332 1 1 57 LEU CB C 7.325 -10.087 -17.314 1.00 . A A . 49 LEU CB 1 1
1 333 1 1 57 LEU H H 8.817 -9.262 -15.273 1.00 . A A . 49 LEU H 1 1
1 334 1 1 57 LEU HA H 7.660 -8.023 -17.763 1.00 . A A . 49 LEU HA 1 1
1 335 1 1 57 LEU N N 8.749 -8.587 -15.997 1.00 . A A . 49 LEU N 1 1
1 336 1 1 57 LEU O O 6.467 -7.836 -14.890 1.00 . A A . 49 LEU O 1 1
1 337 1 1 58 GLU C C 3.550 -8.823 -14.786 1.00 . A A . 50 GLU C 1 1
1 338 1 1 58 GLU CA C 3.817 -7.862 -15.948 1.00 . A A . 50 GLU CA 1 1
1 339 1 1 58 GLU CB C 2.695 -8.011 -16.979 1.00 . A A . 50 GLU CB 1 1
1 340 1 1 58 GLU H H 5.083 -8.476 -17.517 1.00 . A A . 50 GLU H 1 1
1 341 1 1 58 GLU HA H 3.773 -6.855 -15.522 1.00 . A A . 50 GLU HA 1 1
1 342 1 1 58 GLU N N 5.129 -8.232 -16.601 1.00 . A A . 50 GLU N 1 1
1 343 1 1 58 GLU O O 2.912 -8.474 -13.813 1.00 . A A . 50 GLU O 1 1
1 344 1 1 59 ASP C C 4.940 -11.221 -12.925 1.00 . A A . 51 ASP C 1 1
1 345 1 1 59 ASP CA C 3.712 -11.035 -13.829 1.00 . A A . 51 ASP CA 1 1
1 346 1 1 59 ASP CB C 3.489 -12.379 -14.525 1.00 . A A . 51 ASP CB 1 1
1 347 1 1 59 ASP H H 4.566 -10.297 -15.656 1.00 . A A . 51 ASP H 1 1
1 348 1 1 59 ASP HA H 2.756 -10.764 -13.369 1.00 . A A . 51 ASP HA 1 1
1 349 1 1 59 ASP N N 3.991 -10.041 -14.904 1.00 . A A . 51 ASP N 1 1
1 350 1 1 59 ASP O O 4.869 -11.898 -11.918 1.00 . A A . 51 ASP O 1 1
1 351 1 1 60 ASP C C 7.237 -10.031 -11.248 1.00 . A A . 52 ASP C 1 1
1 352 1 1 60 ASP CA C 7.292 -10.958 -12.458 1.00 . A A . 52 ASP CA 1 1
1 353 1 1 60 ASP CB C 8.554 -10.658 -13.270 1.00 . A A . 52 ASP CB 1 1
1 354 1 1 60 ASP H H 6.145 -9.986 -13.990 1.00 . A A . 52 ASP H 1 1
1 355 1 1 60 ASP HA H 7.298 -11.994 -12.156 1.00 . A A . 52 ASP HA 1 1
1 356 1 1 60 ASP N N 6.090 -10.695 -13.299 1.00 . A A . 52 ASP N 1 1
1 357 1 1 60 ASP O O 7.350 -8.831 -11.402 1.00 . A A . 52 ASP O 1 1
1 358 1 1 61 GLU C C 7.241 -8.307 -9.023 1.00 . A A . 53 GLU C 1 1
1 359 1 1 61 GLU CA C 6.362 -9.560 -9.082 1.00 . A A . 53 GLU CA 1 1
1 360 1 1 61 GLU CB C 6.494 -10.277 -7.737 1.00 . A A . 53 GLU CB 1 1
1 361 1 1 61 GLU H H 6.349 -11.381 -10.088 1.00 . A A . 53 GLU H 1 1
1 362 1 1 61 GLU HA H 5.311 -9.339 -9.231 1.00 . A A . 53 GLU HA 1 1
1 363 1 1 61 GLU N N 6.769 -10.502 -10.127 1.00 . A A . 53 GLU N 1 1
1 364 1 1 61 GLU O O 8.437 -8.362 -9.231 1.00 . A A . 53 GLU O 1 1
1 365 1 1 62 VAL C C 7.596 -6.793 -6.218 1.00 . A A . 54 VAL C 1 1
1 366 1 1 62 VAL CA C 7.503 -6.301 -7.647 1.00 . A A . 54 VAL CA 1 1
1 367 1 1 62 VAL CB C 6.760 -4.968 -7.723 1.00 . A A . 54 VAL CB 1 1
1 368 1 1 62 VAL H H 5.857 -7.519 -7.900 1.00 . A A . 54 VAL H 1 1
1 369 1 1 62 VAL HA H 8.513 -6.212 -7.952 1.00 . A A . 54 VAL HA 1 1
1 370 1 1 62 VAL N N 6.724 -7.369 -8.286 1.00 . A A . 54 VAL N 1 1
1 371 1 1 62 VAL O O 7.182 -7.891 -5.904 1.00 . A A . 54 VAL O 1 1
1 372 1 1 63 LYS C C 8.214 -4.802 -3.232 1.00 . A A . 55 LYS C 1 1
1 373 1 1 63 LYS CA C 8.065 -6.185 -3.863 1.00 . A A . 55 LYS CA 1 1
1 374 1 1 63 LYS CB C 9.291 -7.034 -3.521 1.00 . A A . 55 LYS CB 1 1
1 375 1 1 63 LYS H H 8.156 -5.062 -5.599 1.00 . A A . 55 LYS H 1 1
1 376 1 1 63 LYS HA H 7.188 -6.644 -3.458 1.00 . A A . 55 LYS HA 1 1
1 377 1 1 63 LYS N N 8.019 -5.957 -5.324 1.00 . A A . 55 LYS N 1 1
1 378 1 1 63 LYS O O 9.087 -4.047 -3.610 1.00 . A A . 55 LYS O 1 1
1 379 1 1 64 ASP C C 7.410 -2.119 -1.518 1.00 . A A . 56 ASP C 1 1
1 380 1 1 64 ASP CA C 8.060 -3.477 -1.268 1.00 . A A . 56 ASP CA 1 1
1 381 1 1 64 ASP CB C 9.576 -3.317 -1.409 1.00 . A A . 56 ASP CB 1 1
1 382 1 1 64 ASP H H 7.139 -5.345 -1.621 1.00 . A A . 56 ASP H 1 1
1 383 1 1 64 ASP HA H 7.871 -3.756 -0.286 1.00 . A A . 56 ASP HA 1 1
1 384 1 1 64 ASP N N 7.602 -4.618 -2.109 1.00 . A A . 56 ASP N 1 1
1 385 1 1 64 ASP O O 7.963 -1.106 -1.138 1.00 . A A . 56 ASP O 1 1
1 386 1 1 65 GLY C C 6.800 -0.356 -4.028 1.00 . A A . 57 GLY C 1 1
1 387 1 1 65 GLY CA C 5.980 -0.685 -2.781 1.00 . A A . 57 GLY CA 1 1
1 388 1 1 65 GLY H H 5.790 -2.785 -2.461 1.00 . A A . 57 GLY H 1 1
1 389 1 1 65 GLY HA2 H 4.927 -0.685 -3.019 1.00 . A A . 57 GLY HA2 1 1
1 390 1 1 65 GLY HA3 H 6.184 0.040 -2.010 1.00 . A A . 57 GLY HA3 1 1
1 391 1 1 65 GLY N N 6.400 -2.038 -2.331 1.00 . A A . 57 GLY N 1 1
1 392 1 1 65 GLY O O 7.406 0.691 -4.140 1.00 . A A . 57 GLY O 1 1
1 393 1 1 66 ASP C C 6.506 0.224 -6.974 1.00 . A A . 58 ASP C 1 1
1 394 1 1 66 ASP CA C 7.324 -0.901 -6.344 1.00 . A A . 58 ASP CA 1 1
1 395 1 1 66 ASP CB C 7.281 -2.136 -7.240 1.00 . A A . 58 ASP CB 1 1
1 396 1 1 66 ASP H H 6.010 -1.894 -4.957 1.00 . A A . 58 ASP H 1 1
1 397 1 1 66 ASP HA H 8.348 -0.587 -6.205 1.00 . A A . 58 ASP HA 1 1
1 398 1 1 66 ASP N N 6.691 -1.199 -5.020 1.00 . A A . 58 ASP N 1 1
1 399 1 1 66 ASP O O 5.410 0.489 -6.520 1.00 . A A . 58 ASP O 1 1
1 400 1 1 67 PHE C C 5.222 1.567 -9.170 1.00 . A A . 59 PHE C 1 1
1 401 1 1 67 PHE CA C 6.179 2.206 -8.183 1.00 . A A . 59 PHE CA 1 1
1 402 1 1 67 PHE CB C 7.013 3.285 -8.878 1.00 . A A . 59 PHE CB 1 1
1 403 1 1 67 PHE H H 7.967 0.873 -8.208 1.00 . A A . 59 PHE H 1 1
1 404 1 1 67 PHE HA H 5.784 2.582 -7.220 1.00 . A A . 59 PHE HA 1 1
1 405 1 1 67 PHE N N 7.037 1.020 -7.866 1.00 . A A . 59 PHE N 1 1
1 406 1 1 67 PHE O O 5.045 0.366 -9.220 1.00 . A A . 59 PHE O 1 1
1 407 1 1 68 VAL C C 5.194 2.765 -12.608 1.00 . A A . 60 VAL C 1 1
1 408 1 1 68 VAL CA C 4.599 1.825 -11.525 1.00 . A A . 60 VAL CA 1 1
1 409 1 1 68 VAL CB C 3.070 1.821 -11.633 1.00 . A A . 60 VAL CB 1 1
1 410 1 1 68 VAL H H 5.303 3.234 -9.982 1.00 . A A . 60 VAL H 1 1
1 411 1 1 68 VAL HA H 4.951 0.805 -11.595 1.00 . A A . 60 VAL HA 1 1
1 412 1 1 68 VAL N N 5.056 2.326 -10.191 1.00 . A A . 60 VAL N 1 1
1 413 1 1 68 VAL O O 5.001 3.959 -12.497 1.00 . A A . 60 VAL O 1 1
1 414 1 1 69 GLU C C 5.306 2.971 -16.049 1.00 . A A . 61 GLU C 1 1
1 415 1 1 69 GLU CA C 6.177 3.268 -14.823 1.00 . A A . 61 GLU CA 1 1
1 416 1 1 69 GLU CB C 7.643 3.022 -15.185 1.00 . A A . 61 GLU CB 1 1
1 417 1 1 69 GLU H H 6.098 1.411 -13.790 1.00 . A A . 61 GLU H 1 1
1 418 1 1 69 GLU HA H 6.051 4.305 -14.558 1.00 . A A . 61 GLU HA 1 1
1 419 1 1 69 GLU N N 5.788 2.335 -13.713 1.00 . A A . 61 GLU N 1 1
1 420 1 1 69 GLU O O 5.269 1.858 -16.535 1.00 . A A . 61 GLU O 1 1
1 421 1 1 70 VAL C C 3.838 4.883 -18.765 1.00 . A A . 62 VAL C 1 1
1 422 1 1 70 VAL CA C 3.824 3.697 -17.804 1.00 . A A . 62 VAL CA 1 1
1 423 1 1 70 VAL CB C 2.385 3.356 -17.412 1.00 . A A . 62 VAL CB 1 1
1 424 1 1 70 VAL H H 4.691 4.855 -16.185 1.00 . A A . 62 VAL H 1 1
1 425 1 1 70 VAL HA H 4.277 2.858 -18.300 1.00 . A A . 62 VAL HA 1 1
1 426 1 1 70 VAL N N 4.637 3.961 -16.581 1.00 . A A . 62 VAL N 1 1
1 427 1 1 70 VAL O O 3.346 5.954 -18.470 1.00 . A A . 62 VAL O 1 1
1 428 1 1 71 ILE C C 5.710 5.550 -21.805 1.00 . A A . 63 ILE C 1 1
1 429 1 1 71 ILE CA C 4.505 5.798 -20.891 1.00 . A A . 63 ILE CA 1 1
1 430 1 1 71 ILE CB C 4.665 7.138 -20.170 1.00 . A A . 63 ILE CB 1 1
1 431 1 1 71 ILE H H 4.824 3.799 -20.120 1.00 . A A . 63 ILE H 1 1
1 432 1 1 71 ILE HA H 3.625 5.827 -21.516 1.00 . A A . 63 ILE HA 1 1
1 433 1 1 71 ILE N N 4.421 4.682 -19.911 1.00 . A A . 63 ILE N 1 1
1 434 1 1 71 ILE O O 6.647 4.870 -21.438 1.00 . A A . 63 ILE O 1 1
1 435 1 1 72 PRO C C 8.070 5.639 -23.547 1.00 . A A . 64 PRO C 1 1
1 436 1 1 72 PRO CA C 6.642 5.767 -24.083 1.00 . A A . 64 PRO CA 1 1
1 437 1 1 72 PRO CB C 6.508 7.011 -24.961 1.00 . A A . 64 PRO CB 1 1
1 438 1 1 72 PRO HA H 6.380 4.889 -24.654 1.00 . A A . 64 PRO HA 1 1
1 439 1 1 72 PRO N N 5.623 6.012 -23.025 1.00 . A A . 64 PRO N 1 1
1 440 1 1 72 PRO O O 8.891 6.518 -23.719 1.00 . A A . 64 PRO O 1 1
1 441 1 1 73 VAL C C 10.819 4.424 -23.315 1.00 . A A . 65 VAL C 1 1
1 442 1 1 73 VAL CA C 9.708 4.386 -22.255 1.00 . A A . 65 VAL CA 1 1
1 443 1 1 73 VAL CB C 9.745 3.018 -21.572 1.00 . A A . 65 VAL CB 1 1
1 444 1 1 73 VAL H H 7.667 3.900 -22.668 1.00 . A A . 65 VAL H 1 1
1 445 1 1 73 VAL HA H 9.874 5.141 -21.506 1.00 . A A . 65 VAL HA 1 1
1 446 1 1 73 VAL N N 8.358 4.569 -22.858 1.00 . A A . 65 VAL N 1 1
1 447 1 1 73 VAL O O 11.505 3.437 -23.497 1.00 . A A . 65 VAL O 1 1
1 448 1 1 74 VAL C C 13.347 6.227 -24.496 1.00 . A A . 66 VAL C 1 1
1 449 1 1 74 VAL CA C 12.124 5.493 -25.052 1.00 . A A . 66 VAL CA 1 1
1 450 1 1 74 VAL CB C 11.638 6.212 -26.312 1.00 . A A . 66 VAL CB 1 1
1 451 1 1 74 VAL H H 10.483 6.307 -23.950 1.00 . A A . 66 VAL H 1 1
1 452 1 1 74 VAL HA H 12.384 4.475 -25.301 1.00 . A A . 66 VAL HA 1 1
1 453 1 1 74 VAL N N 11.038 5.505 -24.032 1.00 . A A . 66 VAL N 1 1
1 454 1 1 74 VAL O O 13.535 7.403 -24.738 1.00 . A A . 66 VAL O 1 1
1 455 1 1 75 SER C C 16.371 6.491 -24.255 1.00 . A A . 67 SER C 1 1
1 456 1 1 75 SER CA C 15.355 6.243 -23.140 1.00 . A A . 67 SER CA 1 1
1 457 1 1 75 SER CB C 15.981 5.344 -22.071 1.00 . A A . 67 SER CB 1 1
1 458 1 1 75 SER H H 14.001 4.612 -23.530 1.00 . A A . 67 SER H 1 1
1 459 1 1 75 SER HA H 15.066 7.191 -22.693 1.00 . A A . 67 SER HA 1 1
1 460 1 1 75 SER N N 14.167 5.559 -23.730 1.00 . A A . 67 SER N 1 1
1 461 1 1 75 SER O O 16.951 5.572 -24.798 1.00 . A A . 67 SER O 1 1
1 462 1 1 76 GLY C C 17.701 9.560 -25.819 1.00 . A A . 68 GLY C 1 1
1 463 1 1 76 GLY CA C 17.565 8.043 -25.679 1.00 . A A . 68 GLY CA 1 1
1 464 1 1 76 GLY H H 16.086 8.449 -24.166 1.00 . A A . 68 GLY H 1 1
1 465 1 1 76 GLY HA2 H 18.526 7.616 -25.430 1.00 . A A . 68 GLY HA2 1 1
1 466 1 1 76 GLY HA3 H 17.216 7.626 -26.612 1.00 . A A . 68 GLY HA3 1 1
1 467 1 1 76 GLY N N 16.588 7.728 -24.599 1.00 . A A . 68 GLY N 1 1
1 468 1 1 76 GLY O O 18.521 10.053 -26.567 1.00 . A A . 68 GLY O 1 1
1 469 1 1 77 GLY C C 18.095 12.297 -24.273 1.00 . A A . 69 GLY C 1 1
1 470 1 1 77 GLY CA C 16.988 11.790 -25.199 1.00 . A A . 69 GLY CA 1 1
1 471 1 1 77 GLY H H 16.246 9.891 -24.506 1.00 . A A . 69 GLY H 1 1
1 472 1 1 77 GLY HA2 H 17.211 12.073 -26.217 1.00 . A A . 69 GLY HA2 1 1
1 473 1 1 77 GLY HA3 H 16.045 12.225 -24.902 1.00 . A A . 69 GLY HA3 1 1
1 474 1 1 77 GLY N N 16.902 10.305 -25.104 1.00 . A A . 69 GLY N 1 1
1 475 1 1 77 GLY O O 18.032 13.451 -23.884 1.00 . A A . 69 GLY O 1 1
stop_
save_
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