NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
623127 |
6ba6   |
30353 | cing | 2-parsed | STAR | distance | NOE | simple | 40 |
data_6ba6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ba6
_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_6ba6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ba6
_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 6ba6 "Master copy" parsed_6ba6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ba6
_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 6ba6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ba6 1
1 6ba6.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 302 parsed_6ba6 1
1 6ba6.mr . . XPLOR/CNS 3 distance NOE simple 2308 parsed_6ba6 1
1 6ba6.mr . . XPLOR/CNS 4 distance NOE simple 1114 parsed_6ba6 1
1 6ba6.mr . . XPLOR/CNS 5 distance NOE simple 36 parsed_6ba6 1
1 6ba6.mr . . XPLOR/CNS 6 distance NOE simple 40 parsed_6ba6 1
1 6ba6.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ba6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ba6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_Distance_constraint_list.Details "Generated by Wattos"
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 . . . parsed_6ba6 1
2 1 . . . parsed_6ba6 1
3 1 . . . parsed_6ba6 1
4 1 . . . parsed_6ba6 1
5 1 . . . parsed_6ba6 1
6 1 . . . parsed_6ba6 1
7 1 . . . parsed_6ba6 1
8 1 . . . parsed_6ba6 1
9 1 . . . parsed_6ba6 1
10 1 . . . parsed_6ba6 1
11 1 . . . parsed_6ba6 1
12 1 . . . parsed_6ba6 1
13 1 . . . parsed_6ba6 1
14 1 . . . parsed_6ba6 1
15 1 . . . parsed_6ba6 1
16 1 . . . parsed_6ba6 1
17 1 . . . parsed_6ba6 1
18 1 . . . parsed_6ba6 1
19 1 . . . parsed_6ba6 1
20 1 . . . parsed_6ba6 1
21 1 . . . parsed_6ba6 1
22 1 . . . parsed_6ba6 1
23 1 . . . parsed_6ba6 1
24 1 . . . parsed_6ba6 1
25 1 . . . parsed_6ba6 1
26 1 . . . parsed_6ba6 1
27 1 . . . parsed_6ba6 1
28 1 . . . parsed_6ba6 1
29 1 . . . parsed_6ba6 1
30 1 . . . parsed_6ba6 1
31 1 . . . parsed_6ba6 1
32 1 . . . parsed_6ba6 1
33 1 . . . parsed_6ba6 1
34 1 . . . parsed_6ba6 1
35 1 . . . parsed_6ba6 1
36 1 . . . parsed_6ba6 1
37 1 . . . parsed_6ba6 1
38 1 . . . parsed_6ba6 1
39 1 . . . parsed_6ba6 1
40 1 . . . parsed_6ba6 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.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_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 . . . . . . . . . 12 . HA parsed_6ba6 1
1 1 2 . . . . . . . . . 141 . HB1 parsed_6ba6 1
2 1 1 . . . . . . . . . 12 . HA parsed_6ba6 1
2 1 2 . . . . . . . . . 141 . HG1 parsed_6ba6 1
3 1 1 . . . . . . . . . 13 . HG1# parsed_6ba6 1
3 1 2 . . . . . . . . . 124 . HB parsed_6ba6 1
4 1 1 . . . . . . . . . 14 . HB parsed_6ba6 1
4 1 2 . . . . . . . . . 139 . HB1 parsed_6ba6 1
5 1 1 . . . . . . . . . 14 . HG1# parsed_6ba6 1
5 1 2 . . . . . . . . . 139 . HB1 parsed_6ba6 1
6 1 1 . . . . . . . . . 14 . HG2# parsed_6ba6 1
6 1 2 . . . . . . . . . 139 . HB1 parsed_6ba6 1
7 1 1 . . . . . . . . . 16 . HG2# parsed_6ba6 1
7 1 2 . . . . . . . . . 136 . HD1# parsed_6ba6 1
8 1 1 . . . . . . . . . 16 . HG2# parsed_6ba6 1
8 1 2 . . . . . . . . . 136 . HG2# parsed_6ba6 1
9 1 1 . . . . . . . . . 16 . HB parsed_6ba6 1
9 1 2 . . . . . . . . . 136 . HD1# parsed_6ba6 1
10 1 1 . . . . . . . . . 16 . HG2# parsed_6ba6 1
10 1 2 . . . . . . . . . 136 . HG12 parsed_6ba6 1
11 1 1 . . . . . . . . . 16 . HG2# parsed_6ba6 1
11 1 2 . . . . . . . . . 137 . HB1 parsed_6ba6 1
12 1 1 . . . . . . . . . 16 . HG2# parsed_6ba6 1
12 1 2 . . . . . . . . . 167 . HB1 parsed_6ba6 1
13 1 1 . . . . . . . . . 17 . HA parsed_6ba6 1
13 1 2 . . . . . . . . . 136 . HD1# parsed_6ba6 1
14 1 1 . . . . . . . . . 18 . HB1 parsed_6ba6 1
14 1 2 . . . . . . . . . 136 . HD1# parsed_6ba6 1
15 1 1 . . . . . . . . . 18 . HG1 parsed_6ba6 1
15 1 2 . . . . . . . . . 136 . HD1# parsed_6ba6 1
16 1 1 . . . . . . . . . 36 . HA parsed_6ba6 1
16 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
17 1 1 . . . . . . . . . 36 . HD1# parsed_6ba6 1
17 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
18 1 1 . . . . . . . . . 36 . HD1# parsed_6ba6 1
18 1 2 . . . . . . . . . 127 . HG11 parsed_6ba6 1
19 1 1 . . . . . . . . . 36 . HD1# parsed_6ba6 1
19 1 2 . . . . . . . . . 127 . HB parsed_6ba6 1
20 1 1 . . . . . . . . . 36 . HA parsed_6ba6 1
20 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
21 1 1 . . . . . . . . . 36 . HD1# parsed_6ba6 1
21 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
22 1 1 . . . . . . . . . 36 . HD1# parsed_6ba6 1
22 1 2 . . . . . . . . . 133 . HA parsed_6ba6 1
23 1 1 . . . . . . . . . 37 . HB1 parsed_6ba6 1
23 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
24 1 1 . . . . . . . . . 37 . HB2 parsed_6ba6 1
24 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
25 1 1 . . . . . . . . . 37 . HD1 parsed_6ba6 1
25 1 2 . . . . . . . . . 127 . HG2# parsed_6ba6 1
26 1 1 . . . . . . . . . 37 . HG1 parsed_6ba6 1
26 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
27 1 1 . . . . . . . . . 37 . HG2 parsed_6ba6 1
27 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
28 1 1 . . . . . . . . . 37 . HA parsed_6ba6 1
28 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
29 1 1 . . . . . . . . . 37 . HB2 parsed_6ba6 1
29 1 2 . . . . . . . . . 127 . HG2# parsed_6ba6 1
30 1 1 . . . . . . . . . 37 . HG2 parsed_6ba6 1
30 1 2 . . . . . . . . . 127 . HG2# parsed_6ba6 1
31 1 1 . . . . . . . . . 37 . HD1 parsed_6ba6 1
31 1 2 . . . . . . . . . 129 . HA parsed_6ba6 1
32 1 1 . . . . . . . . . 37 . HG1 parsed_6ba6 1
32 1 2 . . . . . . . . . 129 . HG2# parsed_6ba6 1
33 1 1 . . . . . . . . . 37 . HG2 parsed_6ba6 1
33 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
34 1 1 . . . . . . . . . 37 . HA parsed_6ba6 1
34 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
35 1 1 . . . . . . . . . 37 . HB1 parsed_6ba6 1
35 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
36 1 1 . . . . . . . . . 37 . HD1 parsed_6ba6 1
36 1 2 . . . . . . . . . 129 . HG1# parsed_6ba6 1
37 1 1 . . . . . . . . . 38 . HA parsed_6ba6 1
37 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
38 1 1 . . . . . . . . . 39 . HB# parsed_6ba6 1
38 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
39 1 1 . . . . . . . . . 40 . HD1# parsed_6ba6 1
39 1 2 . . . . . . . . . 127 . HD1# parsed_6ba6 1
40 1 1 . . . . . . . . . 40 . HD2# parsed_6ba6 1
40 1 2 . . . . . . . . . 129 . HG2# parsed_6ba6 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 . . . . . 4.0 1.8 5.0 parsed_6ba6 1
2 1 . . . . . 3.0 1.8 3.3 parsed_6ba6 1
3 1 . . . . . 2.5 1.8 3.8 parsed_6ba6 1
4 1 . . . . . 3.0 1.8 3.3 parsed_6ba6 1
5 1 . . . . . 4.0 1.8 6.5 parsed_6ba6 1
6 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
7 1 . . . . . 2.5 1.8 3.7 parsed_6ba6 1
8 1 . . . . . 3.0 1.8 4.3 parsed_6ba6 1
9 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
10 1 . . . . . 3.0 1.8 4.1 parsed_6ba6 1
11 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
12 1 . . . . . 4.0 1.8 6.8 parsed_6ba6 1
13 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
14 1 . . . . . 4.0 1.8 5.5 parsed_6ba6 1
15 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
16 1 . . . . . 4.0 1.8 5.5 parsed_6ba6 1
17 1 . . . . . 2.5 1.8 3.7 parsed_6ba6 1
18 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
19 1 . . . . . 3.0 1.8 4.2 parsed_6ba6 1
20 1 . . . . . 4.0 1.8 5.5 parsed_6ba6 1
21 1 . . . . . 3.0 1.8 4.4 parsed_6ba6 1
22 1 . . . . . 2.5 1.8 3.8 parsed_6ba6 1
23 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
24 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
25 1 . . . . . 4.0 1.8 6.5 parsed_6ba6 1
26 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
27 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
28 1 . . . . . 2.5 1.8 4.0 parsed_6ba6 1
29 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
30 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
31 1 . . . . . 4.0 1.8 5.0 parsed_6ba6 1
32 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
33 1 . . . . . 3.0 1.8 3.8 parsed_6ba6 1
34 1 . . . . . 2.5 1.8 3.9 parsed_6ba6 1
35 1 . . . . . 2.5 1.8 3.9 parsed_6ba6 1
36 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
37 1 . . . . . 2.5 1.8 3.2 parsed_6ba6 1
38 1 . . . . . 4.0 1.8 5.1 parsed_6ba6 1
39 1 . . . . . 4.0 1.8 7.0 parsed_6ba6 1
40 1 . . . . . 3.0 1.8 4.9 parsed_6ba6 1
stop_
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
;
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long InterM
A complexf.03.xtb 23 0 0 0 23 0
B nc-noesy.new 18 0 0 0 18 0
Total 41 0 0 0 41 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
M1
V2
A3
L4
S5
L6
K7
I8
S9
I10
G11
N12
;
2 1 33 6 parsed_6ba6 1
2 "A.1 at -1.53e+06" 34 75 34 96 parsed_6ba6 1
3
;
A.2 at -2.46e+06
V13
;
35 75 37 6 parsed_6ba6 1
4
;
B.3 at -3.07e+06
V14
;
38 75 40 6 parsed_6ba6 1
5 "A.3 at -3.92e+06" 41 75 41 96 parsed_6ba6 1
6 "A.4 at -7.85e+06" 42 75 42 96 parsed_6ba6 1
7
;
A.5 at -3.56e+06
K15
T16
;
43 75 47 6 parsed_6ba6 1
8 "A.6 at -7.71e+06" 48 75 48 96 parsed_6ba6 1
9 "A.7 at -4.65e+06" 49 75 49 96 parsed_6ba6 1
10 "B.7 at -1.82e+06" 50 75 50 96 parsed_6ba6 1
11 "B.9 at -3.47e+06" 51 75 51 96 parsed_6ba6 1
12
;
A.8 at -2.11e+06
assign (resid 16 and name HG2#) (resid 166 and name HB#) 4.0 2.2 2.5 ! B.12 at -3.66e+06 removed
;
52 75 53 106 parsed_6ba6 1
13
;
B.13 at -6.30e+06 !! relaxed
M17
;
54 75 56 6 parsed_6ba6 1
14
;
A.9 at -2.10e+06
Q18
;
57 75 59 6 parsed_6ba6 1
15 "A.10 at -1.33e+06" 60 75 60 96 parsed_6ba6 1
16
;
A.11 at -5.41e+06
F19
E20
P21
S22
T23
M24
V25
Y26
D27
A28
C29
R30
M31
I32
R33
E34
R35
I36
;
61 75 97 6 parsed_6ba6 1
17 "A.12 at -1.65e+06" 98 75 98 96 parsed_6ba6 1
18 "A.14 at -5.00e+06" 99 75 99 96 parsed_6ba6 1
19 "A.15 at -2.21e+06" 100 75 100 96 parsed_6ba6 1
20 "B.19 at -1.45e+06" 101 75 101 96 parsed_6ba6 1
21 "A.13 at -1.65e+06" 102 75 102 96 parsed_6ba6 1
22 "B.22 at -3.40e+06" 103 75 103 96 parsed_6ba6 1
23
;
B.23 at -1.55e+06
P37
;
104 75 106 6 parsed_6ba6 1
24 "A.16 at -3.88e+06" 107 75 107 96 parsed_6ba6 1
25 "A.17 at -6.29e+06" 108 75 108 96 parsed_6ba6 1
26 "A.18 at -1.19e+06" 109 75 109 96 parsed_6ba6 1
27 "A.20 at -3.05e+06" 110 75 110 96 parsed_6ba6 1
28 "A.21 at -3.62e+06" 111 75 111 96 parsed_6ba6 1
29 "B.24 at -2.97e+06" 112 75 112 96 parsed_6ba6 1
30 "B.28 at -6.15e+06" 113 75 113 96 parsed_6ba6 1
31 "B.35 at -3.62e+06" 114 75 114 96 parsed_6ba6 1
32 "A.19 at -1.62e+06" 115 75 115 96 parsed_6ba6 1
33 "A.23 at -3.05e+06" 116 75 116 96 parsed_6ba6 1
34 "A.22 at -3.62e+06" 117 75 117 96 parsed_6ba6 1
35 "B.25 at -2.97e+06" 118 75 118 96 parsed_6ba6 1
36 "B.29 at -3.88e+06" 119 75 119 96 parsed_6ba6 1
37
;
B.32 at -1.19e+06
E38
;
120 75 122 6 parsed_6ba6 1
38
;
B.38 at -2.26e+06
A39
;
123 75 125 6 parsed_6ba6 1
39
;
B.39 at -5.62e+06
L40
;
126 75 128 6 parsed_6ba6 1
40 "B.40 at -1.33e+07" 129 75 129 96 parsed_6ba6 1
41
;
B.41 at -3.48e+06
A41
G42
P43
P44
N45
D46
F47
G48
L49
F50
L51
S52
D53
D54
D55
P56
K57
K58
G59
I60
W61
L62
E63
A64
G65
K66
A67
L68
D69
Y70
Y71
M72
L73
R74
N75
G76
D77
T78
M79
E80
Y81
R82
K83
K84
Q85
R86
G87
G88
G89
G90
G91
G92
G93
G94
G95
G96
G97
G98
G99
G100
M101
R102
E103
Y104
K105
L106
V107
V108
L109
G110
S111
V112
G113
V114
G115
K116
S117
A118
L119
T120
V121
Q122
F123
V124
Q125
G126
I127
F128
V129
E130
K131
Y132
D133
P134
T135
I136
E137
D138
S139
Y140
R141
K142
Q143
V144
E145
V146
D147
A148
Q149
Q150
C151
M152
L153
E154
I155
L156
D157
T158
A159
G160
T161
E162
Q163
F164
T165
A166
M167
R168
D169
L170
Y171
M172
K173
N174
G175
Q176
G177
F178
A179
L180
V181
Y182
S183
I184
T185
A186
Q187
S188
T189
F190
N191
D192
L193
Q194
D195
L196
R197
E198
Q199
I200
L201
R202
V203
K204
D205
T206
D207
D208
V209
P210
M211
I212
L213
V214
G215
N216
K217
C218
D219
L220
E221
D222
E223
R224
V225
V226
G227
K228
E229
Q230
G231
Q232
N233
L234
A235
R236
Q237
W238
N239
N240
C241
A242
F243
L244
E245
S246
S247
A248
K249
S250
K251
I252
N253
V254
N255
E256
I257
F258
Y259
D260
L261
V262
R263
Q264
I265
N266
R267
@ END_XPLR_NOE_FILE
;
130 75 586 21 parsed_6ba6 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 "# Restraints file 5: talin-rap1-inter-noes-2.xtb" 1 1 1 48 parsed_6ba6 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 1, 2024 2:02:55 AM GMT (wattos1)