NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
652301 |
6kh8   |
cing | 2-parsed | STAR | entry | full |
data_6kh8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kh8
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6kh8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kh8
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6kh8 "Master copy" parsed_6kh8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kh8
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6kh8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kh8 1
1 6kh8.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_6kh8 1
1 6kh8.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6kh8 1
1 6kh8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kh8 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6kh8
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER HORMONE 14-JUL-19 6KH8
*TITLE SOLUTION STRUCTURE OF ZN FREE BOVINE PANCREATIC INSULIN IN 20% ACETIC
*TITLE 2 ACID-D4 (PH 1.9)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: INSULIN A CHAIN;
*COMPND 3 CHAIN: A;
*COMPND 4 MOL_ID: 2;
*COMPND 5 MOLECULE: INSULIN B CHAIN;
*COMPND 6 CHAIN: B
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
*SOURCE 3 ORGANISM_COMMON: BOVINE;
*SOURCE 4 ORGANISM_TAXID: 9913;
*SOURCE 5 MOL_ID: 2;
*SOURCE 6 ORGANISM_SCIENTIFIC: BOS TAURUS;
*SOURCE 7 ORGANISM_COMMON: BOVINE;
*SOURCE 8 ORGANISM_TAXID: 9913
*KEYWDS INSULIN, FIBRILLATION, AMYLOID, HORMONE
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR A.BHUNIA,B.N.RATHA,R.K.KAR,J.R.BRENDER
*REVDAT 1 07-OCT-20 6KH8 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kh8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Restraints file 1: 0hrs.upl" 1 1 1 29 parsed_6kh8 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1 GLY A QA 19 TYR A QE 2 3.5" 2 1 2 76 parsed_6kh8 1
2 "2 ILE A H 3 VAL A H 2 3" 3 1 3 74 parsed_6kh8 1
3 "2 ILE A HA 4 GLU A H 2 4.4" 4 1 4 76 parsed_6kh8 1
4 "2 ILE A HA 3 VAL A H 2 3" 5 1 5 74 parsed_6kh8 1
5 "2 ILE A HB 2 ILE A H 2 3" 6 1 6 74 parsed_6kh8 1
6 "2 ILE A HB 19 TYR A QE 2 3.7" 7 1 7 76 parsed_6kh8 1
7 "2 ILE A MD 2 ILE A H 2 3" 8 1 8 74 parsed_6kh8 1
8 "2 ILE A MD 19 TYR A QE 2 4.5" 9 1 9 76 parsed_6kh8 1
9 "2 ILE A MD 19 TYR A QD 2 4.5" 10 1 10 76 parsed_6kh8 1
10 "2 ILE A QG 2 ILE A H 2 3.5" 11 1 11 76 parsed_6kh8 1
11 "2 ILE A QG 19 TYR A QE 2 4" 12 1 12 74 parsed_6kh8 1
12 "2 ILE A QG 19 TYR A QD 2 4.5" 13 1 13 76 parsed_6kh8 1
13 "2 ILE A QG 26 TYR B QE 2 5.5" 14 1 14 76 parsed_6kh8 1
14 "2 ILE A QG 3 VAL A H 2 3.5" 15 1 15 76 parsed_6kh8 1
15 "3 VAL A H 4 GLU A H 2 3" 16 1 16 74 parsed_6kh8 1
16 "3 VAL A HA 3 VAL A H 2 3" 17 1 17 74 parsed_6kh8 1
17 "3 VAL A HA 4 GLU A H 2 4" 18 1 18 74 parsed_6kh8 1
18 "3 VAL A HA 5 GLN A H 2 4.4" 19 1 19 76 parsed_6kh8 1
19 "3 VAL A HA 6 CYS A H 2 3.4" 20 1 20 76 parsed_6kh8 1
20 "3 VAL A HB 3 VAL A H 2 3" 21 1 21 74 parsed_6kh8 1
21 "3 VAL A HB 4 GLU A H 2 4" 22 1 22 74 parsed_6kh8 1
22 "4 GLU A HA 4 GLU A H 2 3.5" 23 1 23 76 parsed_6kh8 1
23 "4 GLU A HA 5 GLN A H 2 4.4" 24 1 24 76 parsed_6kh8 1
24 "4 GLU A HA 7 CYS A H 2 3.4" 25 1 25 76 parsed_6kh8 1
25 "4 GLU A QB 4 GLU A H 2 4.5" 26 1 26 76 parsed_6kh8 1
26 "4 GLU A QB 5 GLN A H 2 3.5" 27 1 27 76 parsed_6kh8 1
27 "4 GLU A QG 4 GLU A H 2 4" 28 1 28 74 parsed_6kh8 1
28 "4 GLU A QG 5 GLN A H 2 4" 29 1 29 74 parsed_6kh8 1
29 "5 GLN A H 4 GLU A H 2 4" 30 1 30 74 parsed_6kh8 1
30 "5 GLN A HA 5 GLN A H 2 3.5" 31 1 31 76 parsed_6kh8 1
31 "5 GLN A QB 5 GLN A H 2 4" 32 1 32 74 parsed_6kh8 1
32 "5 GLN A QB 6 CYS A H 2 4" 33 1 33 74 parsed_6kh8 1
33 "5 GLN A QG 5 GLN A H 2 3.5" 34 1 34 76 parsed_6kh8 1
34 "6 CYS A HA 7 CYS A H 2 4" 35 1 35 74 parsed_6kh8 1
35 "6 CYS A HB2 6 CYS A H 2 3" 36 1 36 74 parsed_6kh8 1
36 "6 CYS A HB2 7 CYS A H 2 3.5" 37 1 37 76 parsed_6kh8 1
37
;
6 CYS A SG 11 CYS A SG 2 2.1
#6 CYS A CA 11 CYS A CA 2 4.8
#6 CYS A CB 11 CYS A CB 2 4.1
;
38 1 40 76 parsed_6kh8 1
38 "7 CYS A H 4 GLU A HA 2 3" 41 1 41 74 parsed_6kh8 1
39 "7 CYS A HB2 4 GLU A HA 2 3" 42 1 42 74 parsed_6kh8 1
40 "7 CYS A HB2 7 CYS A H 2 3.4" 43 1 43 76 parsed_6kh8 1
41 "7 CYS A HB3 7 CYS A H 2 3" 44 1 44 74 parsed_6kh8 1
42
;
7 CYS A SG 7 CYS B SG 2 2.1
#7 CYS A CA 7 CYS B CA 2 4.6
#7 CYS A CB 7 CYS B CB 2 3.9
;
45 1 47 76 parsed_6kh8 1
43 "8 ALA A HA 9 SER A H 2 3.2" 48 1 48 76 parsed_6kh8 1
44 "8 ALA A HA 8 ALA A H 2 3.2" 49 1 49 76 parsed_6kh8 1
45 "8 ALA A QB 8 ALA A H 2 2.8" 50 1 50 76 parsed_6kh8 1
46 "8 ALA A QB 5 GLN A H 2 4.2" 51 1 51 76 parsed_6kh8 1
47 "9 SER A HA 10 VAL A H 2 4" 52 1 52 74 parsed_6kh8 1
48 "9 SER A HB2 9 SER A H 2 4" 53 1 53 74 parsed_6kh8 1
49 "9 SER A HB2 10 VAL A H 2 3.5" 54 1 54 76 parsed_6kh8 1
50 "9 SER A HB3 9 SER A H 2 3.5" 55 1 55 76 parsed_6kh8 1
51 "9 SER A HB3 10 VAL A H 2 3.5" 56 1 56 76 parsed_6kh8 1
52 "10 VAL A H 10 VAL A H 2 4" 57 1 57 74 parsed_6kh8 1
53 "10 VAL A HA 10 VAL A H 2 3.5" 58 1 58 76 parsed_6kh8 1
54 "10 VAL A HB 10 VAL A H 2 3.2" 59 1 59 76 parsed_6kh8 1
55 "10 VAL A QG1 10 VAL A H 2 3.2" 60 1 60 76 parsed_6kh8 1
56 "10 VAL A QG2 5 HIS B HE 2 4.6" 61 1 61 76 parsed_6kh8 1
57 "10 VAL A QG2 10 VAL A H 2 3.8" 62 1 62 76 parsed_6kh8 1
58 "11 CYS A HA 12 SER A H 2 3.5" 63 1 63 76 parsed_6kh8 1
59 "12 SER A H 13 LEU A H 2 3.5" 64 1 64 76 parsed_6kh8 1
60 "12 SER A HA 13 LEU A H 2 3.5" 65 1 65 76 parsed_6kh8 1
61 "12 SER A HA 15 GLN A QE 2 5" 66 1 66 74 parsed_6kh8 1
62 "12 SER A HB2 12 SER A H 2 3.3" 67 1 67 76 parsed_6kh8 1
63 "12 SER A HB2 13 LEU A H 2 4.4" 68 1 68 76 parsed_6kh8 1
64 "12 SER A HB3 12 SER A H 2 3" 69 1 69 74 parsed_6kh8 1
65 "12 SER A HB3 13 LEU A H 2 4" 70 1 70 74 parsed_6kh8 1
66 "13 LEU A HG 1 PHE B QD 2 2.8" 71 1 71 76 parsed_6kh8 1
67 "13 LEU A HG 13 LEU A H 2 4.6" 72 1 72 76 parsed_6kh8 1
68 "13 LEU A QB 13 LEU A H 2 3.8" 73 1 73 76 parsed_6kh8 1
69 "13 LEU A QB 14 TYR A H 2 3.8" 74 1 74 76 parsed_6kh8 1
70 "13 LEU A QD1 1 PHE B QD 2 4" 75 1 75 74 parsed_6kh8 1
71 "13 LEU A QD1 13 LEU A H 2 3" 76 1 76 74 parsed_6kh8 1
72 "13 LEU A QD2 1 PHE B QD 2 4.4" 77 1 77 76 parsed_6kh8 1
73 "13 LEU A HA 15 GLN A H 2 4.4" 78 1 78 76 parsed_6kh8 1
74 "13 LEU A HA 16 LEU A H 2 3.4" 79 1 79 76 parsed_6kh8 1
75 "13 LEU A HA 17 GLU A H 2 4.2" 80 1 80 76 parsed_6kh8 1
76 "14 TYR A H 13 LEU A H 2 2.8" 81 1 81 76 parsed_6kh8 1
77 "14 TYR A H 14 TYR A QE 2 4.5" 82 1 82 76 parsed_6kh8 1
78 "14 TYR A HA 14 TYR A QD 2 2.5" 83 1 83 76 parsed_6kh8 1
79 "14 TYR A HA 15 GLN A H 2 3.8" 84 1 84 76 parsed_6kh8 1
80 "14 TYR A HA 18 ASN A H 2 4.2" 85 1 85 76 parsed_6kh8 1
81 "14 TYR A HB2 14 TYR A QD 2 2.6" 86 1 86 76 parsed_6kh8 1
82 "14 TYR A HB2 14 TYR A QE 2 3.8" 87 1 87 76 parsed_6kh8 1
83 "14 TYR A HB2 14 TYR A H 2 3" 88 1 88 74 parsed_6kh8 1
84 "14 TYR A HB3 14 TYR A H 2 3.6" 89 1 89 76 parsed_6kh8 1
85 "14 TYR A HB2 15 GLN A H 2 3" 90 1 90 74 parsed_6kh8 1
86 "14 TYR A HB3 14 TYR A QE 2 2.6" 91 1 91 76 parsed_6kh8 1
87 "14 TYR A HB3 14 TYR A QD 2 3.8" 92 1 92 76 parsed_6kh8 1
88 "14 TYR A HB3 14 TYR A H 2 3.2" 93 1 93 76 parsed_6kh8 1
89 "14 TYR A HB3 15 GLN A H 2 4" 94 1 94 74 parsed_6kh8 1
90 "15 GLN A H 16 LEU A H 2 2.8" 95 1 95 76 parsed_6kh8 1
91
;
15 GLN A HA 16 LEU A H 2 3.8
#15 GLN A HA 18 GLN A QG 2 4.5
;
96 1 97 76 parsed_6kh8 1
92 "15 GLN A QB 15 GLN A H 2 3.5" 98 1 98 76 parsed_6kh8 1
93 "15 GLN A QB 15 GLN A H 2 4" 99 1 99 74 parsed_6kh8 1
94 "15 GLN A QB 15 GLN A QG 2 3.8" 100 1 100 76 parsed_6kh8 1
95 "15 GLN A QB 15 GLN A QG 2 3.8" 101 1 101 76 parsed_6kh8 1
96 "15 GLN A QB 16 LEU A H 2 4" 102 1 102 74 parsed_6kh8 1
97 "15 GLN A QG 15 GLN A H 2 4" 103 1 103 74 parsed_6kh8 1
98 "15 GLN A QG 16 LEU A H 2 4.2" 104 1 104 76 parsed_6kh8 1
99 "16 LEU A HA 17 GLU A H 2 3.8" 105 1 105 76 parsed_6kh8 1
100 "16 LEU A HB2 16 LEU A H 2 3" 106 1 106 74 parsed_6kh8 1
101 "16 LEU A HB3 13 LEU A HA 2 3.5" 107 1 107 76 parsed_6kh8 1
102 "16 LEU A HB3 16 LEU A H 2 3" 108 1 108 74 parsed_6kh8 1
103 "16 LEU A HG 16 LEU A H 2 4" 109 1 109 74 parsed_6kh8 1
104 "16 LEU A QD1 16 LEU A H 2 4" 110 1 110 74 parsed_6kh8 1
105 "16 LEU A QD1 15 LEU B H 2 4.2" 111 1 111 76 parsed_6kh8 1
106 "16 LEU A QD2 16 LEU A H 2 3.2" 112 1 112 76 parsed_6kh8 1
107 "17 GLU A H 18 ASN A H 2 3.8" 113 1 113 76 parsed_6kh8 1
108 "17 GLU A H 19 TYR A H 2 4.4" 114 1 114 76 parsed_6kh8 1
109 "17 GLU A QG 17 GLU A H 2 3" 115 1 115 74 parsed_6kh8 1
110 "17 GLU A QG 17 GLU A H 2 3" 116 1 116 74 parsed_6kh8 1
111 "17 GLU A QG 18 ASN A H 2 4" 117 1 117 74 parsed_6kh8 1
112 "17 GLU A QG 18 ASN A H 2 4" 118 1 118 74 parsed_6kh8 1
113 "17 GLU A QB 14 TYR A HA 2 4" 119 1 119 74 parsed_6kh8 1
114 "17 GLU A QB 17 GLU A H 2 3.5" 120 1 120 76 parsed_6kh8 1
115 "17 GLU A QB 18 ASN A H 2 4" 121 1 121 74 parsed_6kh8 1
116 "18 ASN A H 19 TYR A H 2 3.8" 122 1 122 76 parsed_6kh8 1
117 "18 ASN A HA 18 ASN A QD2 2 3" 123 1 123 74 parsed_6kh8 1
118 "18 ASN A HA 19 TYR A H 2 4" 124 1 124 74 parsed_6kh8 1
119 "18 ASN A HB2 18 ASN A H 2 4" 125 1 125 74 parsed_6kh8 1
120 "18 ASN A HB3 18 ASN A H 2 4" 126 1 126 74 parsed_6kh8 1
121 "18 ASN A HB2 18 ASN A QD2 2 3.6" 127 1 127 76 parsed_6kh8 1
122 "18 ASN A HB2 19 TYR A QE 2 5.2" 128 1 128 76 parsed_6kh8 1
123 "18 ASN A HB2 19 TYR A QD 2 5.2" 129 1 129 76 parsed_6kh8 1
124 "18 ASN A HB3 18 ASN A H 2 3.3" 130 1 130 76 parsed_6kh8 1
125 "18 ASN A HB3 18 ASN A H 2 4.4" 131 1 131 76 parsed_6kh8 1
126 "18 ASN A HB3 18 ASN A QD2 2 4.2" 132 1 132 76 parsed_6kh8 1
127 "18 ASN A HB3 18 ASN A QD2 2 3.5" 133 1 133 76 parsed_6kh8 1
128 "18 ASN A HB3 19 TYR A H 2 3.8" 134 1 134 76 parsed_6kh8 1
129 "18 ASN A HB3 19 TYR A H 2 3.8" 135 1 135 76 parsed_6kh8 1
130 "19 TYR A H 19 TYR A QE 2 4.5" 136 1 136 76 parsed_6kh8 1
131 "19 TYR A H 19 TYR A QD 2 4.2" 137 1 137 76 parsed_6kh8 1
132 "19 TYR A HA 19 TYR A QE 2 3.5" 138 1 138 76 parsed_6kh8 1
133 "19 TYR A HA 19 TYR A QD 2 3.5" 139 1 139 76 parsed_6kh8 1
134 "19 TYR A HA 20 CYS A H 2 3.5" 140 1 140 76 parsed_6kh8 1
135 "19 TYR A HB2 19 TYR A QE 2 3" 141 1 141 74 parsed_6kh8 1
136 "19 TYR A HB2 19 TYR A QD 2 3.2" 142 1 142 76 parsed_6kh8 1
137 "19 TYR A HB2 19 TYR A H 2 3.2" 143 1 143 76 parsed_6kh8 1
138 "19 TYR A HB2 20 CYS A H 2 4.5" 144 1 144 76 parsed_6kh8 1
139 "19 TYR A HB3 20 CYS A H 2 4.2" 145 1 145 76 parsed_6kh8 1
140 "19 TYR A HB3 19 TYR A QE 2 3.8" 146 1 146 76 parsed_6kh8 1
141 "19 TYR A HB3 19 TYR A H 2 4" 147 1 147 74 parsed_6kh8 1
142 "20 CYS A H 19 TYR A H 2 3.8" 148 1 148 76 parsed_6kh8 1
143 "20 CYS A HB2 20 CYS A H 2 3.6" 149 1 149 76 parsed_6kh8 1
144 "20 CYS A HB3 20 CYS A H 2 3.6" 150 1 150 76 parsed_6kh8 1
145 "20 CYS A HA 25 PHE B H 2 5.2" 151 1 151 76 parsed_6kh8 1
146
;
20 CYS A SG 19 CYS B SG 2 2.1
#20 CYS A CA 19 CYS B CA 2 5.5
#20 CYS A CB 19 CYS B CB 2 3.8
;
152 1 154 76 parsed_6kh8 1
147 "21 ASN A HB2 21 ASN A H 2 3.5" 155 1 155 76 parsed_6kh8 1
148 "21 ASN A HB3 21 ASN A H 2 3.8" 156 1 156 76 parsed_6kh8 1
149 "1 PHE B HA 1 PHE B QE 2 3.2" 157 1 157 76 parsed_6kh8 1
150 "1 PHE B HA 1 PHE B QD 2 3.2" 158 1 158 76 parsed_6kh8 1
151 "1 PHE B QB 1 PHE B QE 2 3" 159 1 159 74 parsed_6kh8 1
152 "1 PHE B QB 1 PHE B QD 2 4" 160 1 160 74 parsed_6kh8 1
153 "1 PHE B QB 2 VAL B H 2 4" 161 1 161 74 parsed_6kh8 1
154 "1 PHE B QB 12 SER A H 2 5.5" 162 1 162 76 parsed_6kh8 1
155 "2 VAL B HA 3 ASN B H 2 4" 163 1 163 74 parsed_6kh8 1
156 "2 VAL B HB 1 PHE B QD 2 4.5" 164 1 164 76 parsed_6kh8 1
157 "2 VAL B HB 2 VAL B H 2 3.2" 165 1 165 76 parsed_6kh8 1
158 "2 VAL B HB 3 ASN B H 2 3.6" 166 1 166 76 parsed_6kh8 1
159 "2 VAL B QQG 2 VAL B H 2 4" 167 1 167 74 parsed_6kh8 1
160 "2 VAL B QQG 3 ASN B H 2 3.5" 168 1 168 76 parsed_6kh8 1
161 "2 VAL B QQG 4 GLN B QE2 2 4" 169 1 169 74 parsed_6kh8 1
162 "3 ASN B H 2 VAL B H 2 4" 170 1 170 74 parsed_6kh8 1
163 "3 ASN B H 3 ASN B HD21 2 3.5" 171 1 171 76 parsed_6kh8 1
164 "3 ASN B H 3 ASN B HD22 2 3.5" 172 1 172 76 parsed_6kh8 1
165 "3 ASN B HA 3 ASN B HD21 2 4" 173 1 173 74 parsed_6kh8 1
166 "3 ASN B HA 4 GLN B H 2 4" 174 1 174 74 parsed_6kh8 1
167 "3 ASN B QB 3 ASN B H 2 4" 175 1 175 74 parsed_6kh8 1
168 "3 ASN B QB 3 ASN B HD21 2 3" 176 1 176 74 parsed_6kh8 1
169 "3 ASN B QB 3 ASN B HD22 2 3" 177 1 177 74 parsed_6kh8 1
170 "3 ASN B QB 4 GLN B H 2 3.5" 178 1 178 76 parsed_6kh8 1
171 "4 GLN B H 5 HIS B H 2 4" 179 1 179 74 parsed_6kh8 1
172 "4 GLN B HA 5 HIS B H 2 4" 180 1 180 74 parsed_6kh8 1
173 "4 GLN B HB2 5 HIS B H 2 4" 181 1 181 74 parsed_6kh8 1
174 "4 GLN B HB3 4 GLN B H 2 4.5" 182 1 182 76 parsed_6kh8 1
175 "4 GLN B HB3 5 HIS B H 2 3.8" 183 1 183 76 parsed_6kh8 1
176 "4 GLN B QG 5 HIS B H 2 4" 184 1 184 74 parsed_6kh8 1
177 "5 HIS B H 5 HIS B HE 2 5" 185 1 185 74 parsed_6kh8 1
178 "5 HIS B H 6 LEU B H 2 4" 186 1 186 74 parsed_6kh8 1
179 "5 HIS B HA 5 HIS B HE 2 3" 187 1 187 74 parsed_6kh8 1
180 "5 HIS B HA 6 LEU B H 2 3.8" 188 1 188 76 parsed_6kh8 1
181 "5 HIS B HB2 5 HIS B HE 2 3.8" 189 1 189 76 parsed_6kh8 1
182 "5 HIS B HB2 5 HIS B H 2 3.4" 190 1 190 76 parsed_6kh8 1
183 "5 HIS B HB2 6 LEU B H 2 3.4" 191 1 191 76 parsed_6kh8 1
184 "5 HIS B HB3 5 HIS B HE 2 3.4" 192 1 192 76 parsed_6kh8 1
185 "5 HIS B HB3 5 HIS B H 2 4.7" 193 1 193 76 parsed_6kh8 1
186 "6 LEU B HA 6 LEU B H 2 3.6" 194 1 194 76 parsed_6kh8 1
187 "6 LEU B HA 7 CYS B H 2 4" 195 1 195 74 parsed_6kh8 1
188 "6 LEU B QD2 7 CYS B H 2 5.2" 196 1 196 76 parsed_6kh8 1
189 "6 LEU B QB 6 LEU B H 2 3" 197 1 197 74 parsed_6kh8 1
190 "6 LEU B QB 7 CYS B H 2 4.5" 198 1 198 76 parsed_6kh8 1
191 "6 LEU B QD1 7 CYS B H 2 5" 199 1 199 74 parsed_6kh8 1
192 "7 CYS B HA 7 CYS B H 2 3" 200 1 200 74 parsed_6kh8 1
193 "7 CYS B HB2 7 CYS B H 2 3.5" 201 1 201 76 parsed_6kh8 1
194 "7 CYS B HB3 7 CYS B H 2 3.5" 202 1 202 76 parsed_6kh8 1
195 "8 GLY B HA2 8 GLY B H 2 3" 203 1 203 74 parsed_6kh8 1
196 "8 GLY B HA2 9 SER B H 2 4" 204 1 204 74 parsed_6kh8 1
197 "8 GLY B HA3 9 SER B H 2 4" 205 1 205 74 parsed_6kh8 1
198 "9 SER B H 10 HIS B H 2 4" 206 1 206 74 parsed_6kh8 1
199 "9 SER B HA 10 HIS B H 2 3.6" 207 1 207 76 parsed_6kh8 1
200 "9 SER B HA 12 VAL B H 2 3.6" 208 1 208 76 parsed_6kh8 1
201 "9 SER B QB 9 SER B H 2 3.5" 209 1 209 76 parsed_6kh8 1
202 "9 SER B QB 10 HIS B H 2 4.2" 210 1 210 76 parsed_6kh8 1
203 "10 HIS B H 10 HIS B HD 2 3.5" 211 1 211 76 parsed_6kh8 1
204 "10 HIS B HA 10 HIS B HD 2 4.5" 212 1 212 76 parsed_6kh8 1
205 "10 HIS B H 11 LEU B H 2 3" 213 1 213 74 parsed_6kh8 1
206 "10 HIS B HA 11 LEU B H 2 3.8" 214 1 214 76 parsed_6kh8 1
207 "10 HIS B HA 13 GLU B H 2 3.4" 215 1 215 76 parsed_6kh8 1
208 "10 HIS B HA 13 GLU B HB 2 4.2" 216 1 216 76 parsed_6kh8 1
209 "10 HIS B HA 14 ALA B H 2 4.2" 217 1 217 76 parsed_6kh8 1
210 "10 HIS B HB2 10 HIS B H 2 3.5" 218 1 218 76 parsed_6kh8 1
211 "10 HIS B HB3 10 HIS B H 2 3.5" 219 1 219 76 parsed_6kh8 1
212 "10 HIS B HB2 10 HIS B H 2 3.5" 220 1 220 76 parsed_6kh8 1
213 "10 HIS B HB3 10 HIS B H 2 3.5" 221 1 221 76 parsed_6kh8 1
214 "10 HIS B HB2 11 LEU B H 2 4" 222 1 222 74 parsed_6kh8 1
215 "10 HIS B HB3 11 LEU B H 2 4" 223 1 223 74 parsed_6kh8 1
216 "10 HIS B HB3 14 ALA B H 2 5" 224 1 224 74 parsed_6kh8 1
217 "11 LEU B HA 11 LEU B H 2 3.5" 225 1 225 76 parsed_6kh8 1
218 "11 LEU B HA 12 VAL B H 2 3.8" 226 1 226 76 parsed_6kh8 1
219 "11 LEU B HA 13 GLU B H 2 4.4" 227 1 227 76 parsed_6kh8 1
220 "11 LEU B HA 14 ALA B H 2 3.4" 228 1 228 76 parsed_6kh8 1
221 "11 LEU B HA 15 LEU B H 2 4.2" 229 1 229 76 parsed_6kh8 1
222 "11 LEU B QB 11 LEU B H 2 4.2" 230 1 230 76 parsed_6kh8 1
223 "11 LEU B QD1 11 LEU B H 2 3.5" 231 1 231 76 parsed_6kh8 1
224 "11 LEU B QD2 11 LEU B H 2 3.5" 232 1 232 76 parsed_6kh8 1
225 "12 VAL B H 10 HIS B H 2 4.2" 233 1 233 76 parsed_6kh8 1
226 "12 VAL B HA 13 GLU B H 2 3.8" 234 1 234 76 parsed_6kh8 1
227 "12 VAL B HA 15 LEU B H 2 4.4" 235 1 235 76 parsed_6kh8 1
228 "12 VAL B HA 16 TYR B H 2 4.2" 236 1 236 76 parsed_6kh8 1
229 "12 VAL B HB 9 SER B HA 2 5" 237 1 237 74 parsed_6kh8 1
230 "12 VAL B HB 12 VAL B H 2 3" 238 1 238 74 parsed_6kh8 1
231 "12 VAL B HB 12 VAL B H 2 4.2" 239 1 239 76 parsed_6kh8 1
232 "12 VAL B HB 13 GLU B H 2 4" 240 1 240 74 parsed_6kh8 1
233 "12 VAL B HB 16 TYR B H 2 4.6" 241 1 241 76 parsed_6kh8 1
234 "12 VAL B QG2 12 VAL B H 2 3.5" 242 1 242 76 parsed_6kh8 1
235 "12 VAL B QG1 12 VAL B H 2 3.2" 243 1 243 76 parsed_6kh8 1
236 "12 VAL B QG1 13 GLU B H 2 3" 244 1 244 74 parsed_6kh8 1
237 "12 VAL B QG1 16 TYR B QE 2 3.2" 245 1 245 76 parsed_6kh8 1
238 "12 VAL B QG2 12 VAL B H 2 3.4" 246 1 246 76 parsed_6kh8 1
239 "12 VAL B QG2 24 PHE B QE 2 4.1" 247 1 247 76 parsed_6kh8 1
240 "12 VAL B HA 24 PHE B QE 2 3.7" 248 1 248 76 parsed_6kh8 1
241 "12 VAL B QG2 26 TYR B QE 2 3.4" 249 1 249 76 parsed_6kh8 1
242 "13 GLU B HA 14 ALA B H 2 4" 250 1 250 74 parsed_6kh8 1
243 "13 GLU B QB 13 GLU B H 2 3" 251 1 251 74 parsed_6kh8 1
244 "13 GLU B QB 14 ALA B H 2 3.5" 252 1 252 76 parsed_6kh8 1
245 "13 GLU B QG 13 GLU B H 2 3.5" 253 1 253 76 parsed_6kh8 1
246 "14 ALA B QB 11 LEU B HA 2 4" 254 1 254 74 parsed_6kh8 1
247 "14 ALA B QB 14 ALA B H 2 3" 255 1 255 74 parsed_6kh8 1
248 "14 ALA B QB 15 LEU B H 2 3" 256 1 256 74 parsed_6kh8 1
249 "14 ALA B HA 15 LEU B H 2 4" 257 1 257 74 parsed_6kh8 1
250 "14 ALA B HA 17 LEU B H 2 3.4" 258 1 258 76 parsed_6kh8 1
251 "14 ALA B HB 17 LEU B H 2 4.5" 259 1 259 76 parsed_6kh8 1
252 "15 LEU B H 14 ALA B H 2 3.5" 260 1 260 76 parsed_6kh8 1
253 "15 LEU B HA 16 TYR B H 2 3.5" 261 1 261 76 parsed_6kh8 1
254 "15 LEU B QB 12 VAL B HA 2 4" 262 1 262 74 parsed_6kh8 1
255
;
15 LEU B QB 15 LEU B H 2 4
#15 LEU B QB 19 TYR A QD 2 4
;
263 1 264 74 parsed_6kh8 1
256 "15 LEU B QD1 15 LEU B H 2 4" 265 1 265 74 parsed_6kh8 1
257 "15 LEU B QD1 16 TYR B H 2 3.2" 266 1 266 76 parsed_6kh8 1
258 "15 LEU B QD1 24 PHE B QE 2 5" 267 1 267 74 parsed_6kh8 1
259 "15 LEU B QD1 24 PHE B QD 2 3.7" 268 1 268 76 parsed_6kh8 1
260 "15 LEU B QD2 15 LEU B H 2 4" 269 1 269 74 parsed_6kh8 1
261 "15 LEU B QD2 19 TYR A QD 2 3.3" 270 1 270 76 parsed_6kh8 1
262 "15 LEU B QD2 24 PHE B QD 2 4" 271 1 271 74 parsed_6kh8 1
263 "16 TYR B H 16 TYR B QE 2 3" 272 1 272 74 parsed_6kh8 1
264 "16 TYR B HA 16 TYR B QE 2 3.2" 273 1 273 76 parsed_6kh8 1
265 "16 TYR B HA 16 TYR B QD 2 3" 274 1 274 74 parsed_6kh8 1
266 "16 TYR B HA 17 LEU B H 2 3.5" 275 1 275 76 parsed_6kh8 1
267 "16 TYR B HB3 16 TYR B QD 2 3" 276 1 276 74 parsed_6kh8 1
268 "16 TYR B HB2 16 TYR B QD 2 3.5" 277 1 277 76 parsed_6kh8 1
269 "16 TYR B HB3 16 TYR B QE 2 3.5" 278 1 278 76 parsed_6kh8 1
270 "16 TYR B HB2 16 TYR B QE 2 3.5" 279 1 279 76 parsed_6kh8 1
271 "16 TYR B HB3 16 TYR B H 2 3.5" 280 1 280 76 parsed_6kh8 1
272 "16 TYR B HB2 16 TYR B H 2 3.5" 281 1 281 76 parsed_6kh8 1
273 "16 TYR B HB3 17 LEU B H 2 3.5" 282 1 282 76 parsed_6kh8 1
274 "17 LEU B H 16 TYR B H 2 2.8" 283 1 283 76 parsed_6kh8 1
275 "17 LEU B H 18 VAL B H 2 4.2" 284 1 284 76 parsed_6kh8 1
276 "17 LEU B HA 18 VAL B H 2 3.5" 285 1 285 76 parsed_6kh8 1
277 "17 LEU B HB2 14 ALA B HA 2 3.5" 286 1 286 76 parsed_6kh8 1
278 "17 LEU B HB2 17 LEU B H 2 3.5" 287 1 287 76 parsed_6kh8 1
279 "17 LEU B HB3 17 LEU B H 2 3.8" 288 1 288 76 parsed_6kh8 1
280 "17 LEU B HG 17 LEU B H 2 4" 289 1 289 74 parsed_6kh8 1
281 "17 LEU B QQD 17 LEU B H 2 3.8" 290 1 290 76 parsed_6kh8 1
282 "18 VAL B H 19 CYS B H 2 3.6" 291 1 291 76 parsed_6kh8 1
283 "18 VAL B HA 19 CYS B H 2 3.6" 292 1 292 76 parsed_6kh8 1
284 "18 VAL B HB 18 VAL B H 2 3" 293 1 293 74 parsed_6kh8 1
285 "18 VAL B HB 19 CYS B H 2 4" 294 1 294 74 parsed_6kh8 1
286 "18 VAL B QG1 18 VAL B H 2 4" 295 1 295 74 parsed_6kh8 1
287 "18 VAL B QG1 19 CYS B H 2 4" 296 1 296 74 parsed_6kh8 1
288 "18 VAL B QG2 18 VAL B H 2 4" 297 1 297 74 parsed_6kh8 1
289 "18 VAL B QG2 19 CYS B H 2 4" 298 1 298 74 parsed_6kh8 1
290 "19 CYS B H 20 GLY B H 2 3.8" 299 1 299 76 parsed_6kh8 1
291 "19 CYS B HB3 19 CYS B H 2 3" 300 1 300 74 parsed_6kh8 1
292 "19 CYS B HB3 20 GLY B H 2 4" 301 1 301 74 parsed_6kh8 1
293 "19 CYS B HA 22 ARG B H 2 4.1" 302 1 302 76 parsed_6kh8 1
294 "19 CYS B HB3 24 PHE B QD 2 4" 303 1 303 74 parsed_6kh8 1
295 "19 CYS B HB2 19 CYS B H 2 3.5" 304 1 304 76 parsed_6kh8 1
296 "20 GLY B QA 21 GLU B H 2 3" 305 1 305 74 parsed_6kh8 1
297 "21 GLU B HA 22 ARG B H 2 3.5" 306 1 306 76 parsed_6kh8 1
298 "21 GLU B HB2 21 GLU B H 2 3.5" 307 1 307 76 parsed_6kh8 1
299 "21 GLU B HB2 22 ARG B H 2 3.5" 308 1 308 76 parsed_6kh8 1
300 "21 GLU B HB3 21 GLU B H 2 4" 309 1 309 74 parsed_6kh8 1
301 "21 GLU B HB3 22 ARG B H 2 4" 310 1 310 74 parsed_6kh8 1
302 "21 GLU B QG 21 GLU B H 2 3.5" 311 1 311 76 parsed_6kh8 1
303 "21 GLU B QG 22 ARG B H 2 3.5" 312 1 312 76 parsed_6kh8 1
304 "22 ARG B HA 23 GLY B H 2 3.5" 313 1 313 76 parsed_6kh8 1
305 "22 ARG B QB 22 ARG B H 2 3" 314 1 314 74 parsed_6kh8 1
306 "22 ARG B QB 24 PHE B QE 2 3.8" 315 1 315 76 parsed_6kh8 1
307 "22 ARG B QD 22 ARG B H 2 4" 316 1 316 74 parsed_6kh8 1
308 "22 ARG B QG 22 ARG B H 2 4" 317 1 317 74 parsed_6kh8 1
309 "23 GLY B H 24 PHE B H 2 4" 318 1 318 74 parsed_6kh8 1
310 "23 GLY B HA2 24 PHE B QD 2 4.2" 319 1 319 76 parsed_6kh8 1
311 "23 GLY B HA3 24 PHE B QD 2 4.2" 320 1 320 76 parsed_6kh8 1
312 "23 GLY B HA2 24 PHE B H 2 3" 321 1 321 74 parsed_6kh8 1
313 "24 PHE B H 24 PHE B QE 2 4" 322 1 322 74 parsed_6kh8 1
314 "24 PHE B H 24 PHE B QD 2 4" 323 1 323 74 parsed_6kh8 1
315 "24 PHE B HA 24 PHE B QE 2 4" 324 1 324 74 parsed_6kh8 1
316 "24 PHE B HA 24 PHE B QD 2 4" 325 1 325 74 parsed_6kh8 1
317 "24 PHE B HA 24 PHE B QD 2 4" 326 1 326 74 parsed_6kh8 1
318 "24 PHE B HA 25 PHE B H 2 3" 327 1 327 74 parsed_6kh8 1
319 "24 PHE B HB3 24 PHE B QE 2 4" 328 1 328 74 parsed_6kh8 1
320 "24 PHE B HB3 24 PHE B QD 2 4" 329 1 329 74 parsed_6kh8 1
321 "24 PHE B QB 16 TYR B QE 2 4" 330 1 330 74 parsed_6kh8 1
322 "24 PHE B QB 24 PHE B QD 2 4" 331 1 331 74 parsed_6kh8 1
323 "24 PHE B QB 24 PHE B H 2 3.5" 332 1 332 76 parsed_6kh8 1
324 "25 PHE B H 25 PHE B QD 2 4" 333 1 333 74 parsed_6kh8 1
325 "25 PHE B HA 25 PHE B H 2 4" 334 1 334 74 parsed_6kh8 1
326 "25 PHE B HA 25 PHE B QE 2 4" 335 1 335 74 parsed_6kh8 1
327 "25 PHE B HA 25 PHE B QD 2 4" 336 1 336 74 parsed_6kh8 1
328 "25 PHE B HA 26 TYR B H 2 3.5" 337 1 337 76 parsed_6kh8 1
329 "25 PHE B H 26 TYR B H 2 4.2" 338 1 338 76 parsed_6kh8 1
330 "25 PHE B HB2 25 PHE B H 2 3" 339 1 339 74 parsed_6kh8 1
331 "25 PHE B HB2 26 TYR B H 2 4" 340 1 340 74 parsed_6kh8 1
332 "25 PHE B HB2 21 ASN A QD2 2 5" 341 1 341 74 parsed_6kh8 1
333 "25 PHE B HB3 25 PHE B H 2 4.5" 342 1 342 76 parsed_6kh8 1
334 "25 PHE B HB3 25 PHE B QE 2 4" 343 1 343 74 parsed_6kh8 1
335 "25 PHE B HB3 25 PHE B QD 2 4" 344 1 344 74 parsed_6kh8 1
336 "25 PHE B HB3 25 PHE B H 2 3.5" 345 1 345 76 parsed_6kh8 1
337 "25 PHE B HB3 26 TYR B H 2 4" 346 1 346 74 parsed_6kh8 1
338 "26 TYR B QE 26 TYR B QD 2 4" 347 1 347 74 parsed_6kh8 1
339 "26 TYR B H 26 TYR B QE 2 4" 348 1 348 74 parsed_6kh8 1
340 "26 TYR B HA 26 TYR B QE 2 4" 349 1 349 74 parsed_6kh8 1
341 "26 TYR B HA 26 TYR B QD 2 4" 350 1 350 74 parsed_6kh8 1
342 "26 TYR B HA 27 THR B H 2 3.5" 351 1 351 76 parsed_6kh8 1
343 "26 TYR B QB 25 PHE B QD 2 3.5" 352 1 352 76 parsed_6kh8 1
344 "26 TYR B QB 26 TYR B QE 2 4" 353 1 353 74 parsed_6kh8 1
345 "26 TYR B QB 26 TYR B QD 2 4" 354 1 354 74 parsed_6kh8 1
346 "26 TYR B QB 26 TYR B H 2 4" 355 1 355 74 parsed_6kh8 1
347 "26 TYR B QB 27 THR B H 2 4" 356 1 356 74 parsed_6kh8 1
348 "27 THR B H 26 TYR B QD 2 4" 357 1 357 74 parsed_6kh8 1
349 "27 THR B HB 27 THR B H 2 3.2" 358 1 358 76 parsed_6kh8 1
350 "27 THR B QG 19 TYR A QE 2 5" 359 1 359 74 parsed_6kh8 1
351 "27 THR B HA 19 TYR A QE 2 4.8" 360 1 360 76 parsed_6kh8 1
352 "27 THR B QG 25 PHE B QE 2 4" 361 1 361 74 parsed_6kh8 1
353 "27 THR B QG 25 PHE B QD 2 4" 362 1 362 74 parsed_6kh8 1
354 "27 THR B QG 27 THR B H 2 3.5" 363 1 363 76 parsed_6kh8 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6kh8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Restraints file 2: 0h_torsion1.aco" 1 1 1 36 parsed_6kh8 1
2 "Torsion angle constraintS" 2 1 2 56 parsed_6kh8 1
3 "generated from HA secondary chemical shifts" 3 1 3 72 parsed_6kh8 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "1 GLY A PSI -100 -140" 4 1 4 45 parsed_6kh8 1
2 "2 ILE A PHI -52.7 -92.7" 5 1 5 46 parsed_6kh8 1
3 "2 ILE A PSI -23.4 -63.4" 6 1 6 46 parsed_6kh8 1
4 "3 VAL A PHI -42.8 -82.8" 7 1 7 46 parsed_6kh8 1
5 "3 VAL A PSI -22.5 -62.5" 8 1 8 46 parsed_6kh8 1
6 "4 GLU A PHI -43.2 -83.2" 9 1 9 46 parsed_6kh8 1
7 "4 GLU A PSI -26.7 -66.7" 10 1 10 46 parsed_6kh8 1
8 "5 GLN A PHI -48.1 -88.1" 11 1 11 46 parsed_6kh8 1
9 "5 GLN A PSI -19.1 -59.1" 12 1 12 46 parsed_6kh8 1
10 "6 CYS A PHI -49.3 -89.3" 13 1 13 46 parsed_6kh8 1
11 "6 CYS A PSI -3.6 -43.6" 14 1 14 46 parsed_6kh8 1
12 "7 CYS A PHI -84.2 -120.2" 15 1 15 47 parsed_6kh8 1
13 "7 CYS A PSI -28.5 -68.5" 16 1 16 46 parsed_6kh8 1
14 "8 ALA A PHI -43 -83" 17 1 17 44 parsed_6kh8 1
15 "8 ALA A PSI -3.5 -43.5" 18 1 18 46 parsed_6kh8 1
16 "9 SER A PHI -81.1 -121.1" 19 1 19 47 parsed_6kh8 1
17 "9 SER A PSI -82.1 -122.1" 20 1 20 47 parsed_6kh8 1
18 "10 VAL A PHI -74.6 -114.6" 21 1 21 47 parsed_6kh8 1
19 "10 VAL A PSI 151.6 111.6" 22 1 22 46 parsed_6kh8 1
20 "11 CYS A PHI -43.2 -83.2" 23 1 23 46 parsed_6kh8 1
21 "11 CYS A PSI -17.8 -57.8" 24 1 24 46 parsed_6kh8 1
22 "12 SER A PHI -51.5 -91.5" 25 1 25 46 parsed_6kh8 1
23 "12 SER A PSI 21.9 -18.1" 26 1 26 46 parsed_6kh8 1
24 "13 LEU A PHI -40.8 -80.8" 27 1 27 46 parsed_6kh8 1
25 "13 LEU A PSI -20.7 -60.7" 28 1 28 46 parsed_6kh8 1
26 "14 TYR A PHI -46.4 -86.4" 29 1 29 46 parsed_6kh8 1
27 "14 TYR A PSI -21 -61" 30 1 30 44 parsed_6kh8 1
28 "15 GLN A PHI -46.6 -86.6" 31 1 31 46 parsed_6kh8 1
29 "15 GLN A PSI -19.9 -59.9" 32 1 32 46 parsed_6kh8 1
30 "16 LEU A PHI -45.5 -85.5" 33 1 33 46 parsed_6kh8 1
31 "16 LEU A PSI -25.2 -65.2" 34 1 34 46 parsed_6kh8 1
32 "17 GLU A PHI -41.2 -81.2" 35 1 35 46 parsed_6kh8 1
33 "17 GLU A PSI -17 -57" 36 1 36 44 parsed_6kh8 1
34 "18 ASN A PHI -50.7 -90.7" 37 1 37 46 parsed_6kh8 1
35 "18 ASN A PSI -16.9 -56.9" 38 1 38 46 parsed_6kh8 1
36 "19 TYR A PHI -73.4 -113.4" 39 1 39 47 parsed_6kh8 1
37 "19 TYR A PSI 10.5 -29.5" 40 1 40 46 parsed_6kh8 1
38 "20 CYS A PHI -94.1 -134.1" 41 1 41 47 parsed_6kh8 1
39 "20 CYS A PSI -12.3 -52.3" 42 1 42 46 parsed_6kh8 1
40 "21 ASN A PHI -38.5 -78.5" 43 1 43 46 parsed_6kh8 1
41 "1 PHE B PSI -19.9 -59.9" 44 1 44 46 parsed_6kh8 1
42 "2 VAL B PHI -44.4 -84.4" 45 1 45 46 parsed_6kh8 1
43 "2 VAL B PSI -10.9 -50.9" 46 1 46 46 parsed_6kh8 1
44 "3 ASN B PHI -58.2 -98.2" 47 1 47 46 parsed_6kh8 1
45 "3 ASN B PSI -0.8 -40.8" 48 1 48 46 parsed_6kh8 1
46 "4 GLN B PHI -44.8 -84.8" 49 1 49 46 parsed_6kh8 1
47 "4 GLN B PSI 155.7 115.7" 50 1 50 46 parsed_6kh8 1
48 "5 HIS B PHI -51.8 -91.8" 51 1 51 46 parsed_6kh8 1
49 "5 HIS B PSI 154.6 114.6" 52 1 52 46 parsed_6kh8 1
50 "6 LEU B PHI -93.2 -133.2" 53 1 53 47 parsed_6kh8 1
51 "6 LEU B PSI 158.4 118.4" 54 1 54 46 parsed_6kh8 1
52 "7 CYS B PHI -59.4 -99.4" 55 1 55 46 parsed_6kh8 1
53 "7 CYS B PSI 9.3 -30.7" 56 1 56 46 parsed_6kh8 1
54 "8 GLY B PHI 73.67 33.67" 57 1 57 46 parsed_6kh8 1
55 "8 GLY B PSI -114.45 -154.45" 58 1 58 48 parsed_6kh8 1
56 "9 SER B PHI -44.5 -84.5" 59 1 59 46 parsed_6kh8 1
57 "9 SER B PSI -18.6 -58.6" 60 1 60 46 parsed_6kh8 1
58 "10 HIS B PHI -45.7 -85.7" 61 1 61 46 parsed_6kh8 1
59 "10 HIS B PSI -23.1 -63.1" 62 1 62 46 parsed_6kh8 1
60 "11 LEU B PHI -48.2 -88.2" 63 1 63 46 parsed_6kh8 1
61 "11 LEU B PSI -21.1 -61.1" 64 1 64 46 parsed_6kh8 1
62 "12 VAL B PHI -41.4 -81.4" 65 1 65 46 parsed_6kh8 1
63 "12 VAL B PSI -21.3 -61.3" 66 1 66 46 parsed_6kh8 1
64 "13 GLU B PHI -47.6 -87.6" 67 1 67 46 parsed_6kh8 1
65 "13 GLU B PSI -23.7 -63.7" 68 1 68 46 parsed_6kh8 1
66 "14 ALA B PHI -41.7 -81.7" 69 1 69 46 parsed_6kh8 1
67 "14 ALA B PSI -20.4 -60.4" 70 1 70 46 parsed_6kh8 1
68 "15 LEU B PHI -43.1 -83.1" 71 1 71 46 parsed_6kh8 1
69 "15 LEU B PSI -20.4 -60.4" 72 1 72 46 parsed_6kh8 1
70 "16 TYR B PHI -44.7 -84.7" 73 1 73 46 parsed_6kh8 1
71 "16 TYR B PSI -23 -63" 74 1 74 44 parsed_6kh8 1
72 "17 LEU B PHI -44.6 -84.6" 75 1 75 46 parsed_6kh8 1
73 "17 LEU B PSI -17 -57" 76 1 76 44 parsed_6kh8 1
74 "18 VAL B PHI -50.8 -90.8" 77 1 77 46 parsed_6kh8 1
75 "18 VAL B PSI -12.5 -52.5" 78 1 78 46 parsed_6kh8 1
76 "19 CYS B PHI -71.1 -111.1" 79 1 79 47 parsed_6kh8 1
77 "19 CYS B PSI 15.1 -24.9" 80 1 80 46 parsed_6kh8 1
78 "20 GLY B PHI 81.8 41.8" 81 1 81 45 parsed_6kh8 1
79 "20 GLY B PSI 39.7 -0.3" 82 1 82 45 parsed_6kh8 1
80 "21 GLU B PHI -39.8 -79.8" 83 1 83 46 parsed_6kh8 1
81 "21 GLU B PSI 157.8 117.8" 84 1 84 46 parsed_6kh8 1
82 "22 ARG B PHI -48.4 -88.4" 85 1 85 46 parsed_6kh8 1
83 "22 ARG B PSI -7.7 -47.7" 86 1 86 46 parsed_6kh8 1
84 "23 GLY B PHI -44.2 -84.2" 87 1 87 46 parsed_6kh8 1
85 "23 GLY B PSI -19.9 -59.9" 88 1 88 46 parsed_6kh8 1
86 "24 PHE B PHI -45.5 -85.5" 89 1 89 46 parsed_6kh8 1
87 "24 PHE B PSI 154.1 114.1" 90 1 90 46 parsed_6kh8 1
88 "25 PHE B PHI -75.9 -115.9" 91 1 91 47 parsed_6kh8 1
89 "25 PHE B PSI 20.2 -19.8" 92 1 92 46 parsed_6kh8 1
90 "26 TYR B PHI -66.6 -106.6" 93 1 93 47 parsed_6kh8 1
91 "26 TYR B PSI 158.7 118.7" 94 1 94 46 parsed_6kh8 1
92 "27 THR B PHI -57.1 -97.1" 95 1 95 46 parsed_6kh8 1
93 "27 THR B PSI 168 128" 96 1 96 44 parsed_6kh8 1
94 "28 PRO B PHI -56.19 -96.19" 97 1 97 47 parsed_6kh8 1
95 "28 PRO B PSI 2.42 -37.58" 98 1 98 47 parsed_6kh8 1
96 "29 LYS B PHI -73.4 -113.4" 99 1 99 47 parsed_6kh8 1
97 "29 LYS B PSI 44.77 4.77" 100 1 100 45 parsed_6kh8 1
98
;
30 ALA B PHI -100 -140
;
101 1 102 1 parsed_6kh8 1
stop_
save_
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