NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
35165 |
1l3g   |
4254 | cing | recoord | 2-parsed | STAR | dipolar coupling | 85 |
data_1l3g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1l3g
_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_1l3g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1l3g
_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 1l3g "Master copy" parsed_1l3g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1l3g
_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 1l3g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1l3g 1
1 1l3g.mr . . XPLOR/CNS 2 distance NOE simple 894 parsed_1l3g 1
1 1l3g.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 72 parsed_1l3g 1
1 1l3g.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 212 parsed_1l3g 1
1 1l3g.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 85 parsed_1l3g 1
1 1l3g.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1l3g 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1l3g
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_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 . . . . . . . . . . . . . . . . 1.85 . . . . MBP1 4 . hn MBP1 4 . n parsed_1l3g 1
2 . . . . . . . . . . . . . . . . 7.09 . . . . MBP1 5 . hn MBP1 5 . n parsed_1l3g 1
3 . . . . . . . . . . . . . . . . 9.51 . . . . MBP1 7 . hn MBP1 7 . n parsed_1l3g 1
4 . . . . . . . . . . . . . . . . 1.61 . . . . MBP1 8 . hn MBP1 8 . n parsed_1l3g 1
5 . . . . . . . . . . . . . . . . -0.687 . . . . MBP1 9 . hn MBP1 9 . n parsed_1l3g 1
6 . . . . . . . . . . . . . . . . -1.47 . . . . MBP1 12 . hn MBP1 12 . n parsed_1l3g 1
7 . . . . . . . . . . . . . . . . 1.86 . . . . MBP1 13 . hn MBP1 13 . n parsed_1l3g 1
8 . . . . . . . . . . . . . . . . -1.86 . . . . MBP1 14 . hn MBP1 14 . n parsed_1l3g 1
9 . . . . . . . . . . . . . . . . 3.39 . . . . MBP1 15 . hn MBP1 15 . n parsed_1l3g 1
10 . . . . . . . . . . . . . . . . 12.53 . . . . MBP1 16 . hn MBP1 16 . n parsed_1l3g 1
11 . . . . . . . . . . . . . . . . 6.94 . . . . MBP1 18 . hn MBP1 18 . n parsed_1l3g 1
12 . . . . . . . . . . . . . . . . 9.50 . . . . MBP1 19 . hn MBP1 19 . n parsed_1l3g 1
13 . . . . . . . . . . . . . . . . -4.01 . . . . MBP1 20 . hn MBP1 20 . n parsed_1l3g 1
14 . . . . . . . . . . . . . . . . -5.52 . . . . MBP1 21 . hn MBP1 21 . n parsed_1l3g 1
15 . . . . . . . . . . . . . . . . -1.14 . . . . MBP1 22 . hn MBP1 22 . n parsed_1l3g 1
16 . . . . . . . . . . . . . . . . -2.84 . . . . MBP1 24 . hn MBP1 24 . n parsed_1l3g 1
17 . . . . . . . . . . . . . . . . 5.49 . . . . MBP1 25 . hn MBP1 25 . n parsed_1l3g 1
18 . . . . . . . . . . . . . . . . 12.78 . . . . MBP1 26 . hn MBP1 26 . n parsed_1l3g 1
19 . . . . . . . . . . . . . . . . 10.43 . . . . MBP1 27 . hn MBP1 27 . n parsed_1l3g 1
20 . . . . . . . . . . . . . . . . 11.14 . . . . MBP1 28 . hn MBP1 28 . n parsed_1l3g 1
21 . . . . . . . . . . . . . . . . -3.22 . . . . MBP1 29 . hn MBP1 29 . n parsed_1l3g 1
22 . . . . . . . . . . . . . . . . -2.51 . . . . MBP1 30 . hn MBP1 30 . n parsed_1l3g 1
23 . . . . . . . . . . . . . . . . 1.87 . . . . MBP1 32 . hn MBP1 32 . n parsed_1l3g 1
24 . . . . . . . . . . . . . . . . -4.41 . . . . MBP1 33 . hn MBP1 33 . n parsed_1l3g 1
25 . . . . . . . . . . . . . . . . 7.80 . . . . MBP1 34 . hn MBP1 34 . n parsed_1l3g 1
26 . . . . . . . . . . . . . . . . 8.66 . . . . MBP1 35 . hn MBP1 35 . n parsed_1l3g 1
27 . . . . . . . . . . . . . . . . -13.691 . . . . MBP1 36 . hn MBP1 36 . n parsed_1l3g 1
28 . . . . . . . . . . . . . . . . -4.04 . . . . MBP1 37 . hn MBP1 37 . n parsed_1l3g 1
29 . . . . . . . . . . . . . . . . -5.87 . . . . MBP1 38 . hn MBP1 38 . n parsed_1l3g 1
30 . . . . . . . . . . . . . . . . -5.3 . . . . MBP1 40 . hn MBP1 40 . n parsed_1l3g 1
31 . . . . . . . . . . . . . . . . -3.07 . . . . MBP1 41 . hn MBP1 41 . n parsed_1l3g 1
32 . . . . . . . . . . . . . . . . -8.62 . . . . MBP1 42 . hn MBP1 42 . n parsed_1l3g 1
33 . . . . . . . . . . . . . . . . -14.15 . . . . MBP1 43 . hn MBP1 43 . n parsed_1l3g 1
34 . . . . . . . . . . . . . . . . 7.38 . . . . MBP1 44 . hn MBP1 44 . n parsed_1l3g 1
35 . . . . . . . . . . . . . . . . 6.23 . . . . MBP1 45 . hn MBP1 45 . n parsed_1l3g 1
36 . . . . . . . . . . . . . . . . 1.24 . . . . MBP1 46 . hn MBP1 46 . n parsed_1l3g 1
37 . . . . . . . . . . . . . . . . -9.88 . . . . MBP1 49 . hn MBP1 49 . n parsed_1l3g 1
38 . . . . . . . . . . . . . . . . -8.75 . . . . MBP1 50 . hn MBP1 50 . n parsed_1l3g 1
39 . . . . . . . . . . . . . . . . -3.03 . . . . MBP1 51 . hn MBP1 51 . n parsed_1l3g 1
40 . . . . . . . . . . . . . . . . -3.65 . . . . MBP1 53 . hn MBP1 53 . n parsed_1l3g 1
41 . . . . . . . . . . . . . . . . -2.00 . . . . MBP1 54 . hn MBP1 54 . n parsed_1l3g 1
42 . . . . . . . . . . . . . . . . -3.81 . . . . MBP1 55 . hn MBP1 55 . n parsed_1l3g 1
43 . . . . . . . . . . . . . . . . -7.50 . . . . MBP1 56 . hn MBP1 56 . n parsed_1l3g 1
44 . . . . . . . . . . . . . . . . -5.32 . . . . MBP1 57 . hn MBP1 57 . n parsed_1l3g 1
45 . . . . . . . . . . . . . . . . -1.08 . . . . MBP1 58 . hn MBP1 58 . n parsed_1l3g 1
46 . . . . . . . . . . . . . . . . -5.12 . . . . MBP1 59 . hn MBP1 59 . n parsed_1l3g 1
47 . . . . . . . . . . . . . . . . -3.18 . . . . MBP1 61 . hn MBP1 61 . n parsed_1l3g 1
48 . . . . . . . . . . . . . . . . -3.88 . . . . MBP1 62 . hn MBP1 62 . n parsed_1l3g 1
49 . . . . . . . . . . . . . . . . -6.89 . . . . MBP1 64 . hn MBP1 64 . n parsed_1l3g 1
50 . . . . . . . . . . . . . . . . -10.32 . . . . MBP1 65 . hn MBP1 65 . n parsed_1l3g 1
51 . . . . . . . . . . . . . . . . -10.79 . . . . MBP1 66 . hn MBP1 66 . n parsed_1l3g 1
52 . . . . . . . . . . . . . . . . -1.54 . . . . MBP1 68 . hn MBP1 68 . n parsed_1l3g 1
53 . . . . . . . . . . . . . . . . 6.79 . . . . MBP1 70 . hn MBP1 70 . n parsed_1l3g 1
54 . . . . . . . . . . . . . . . . -11.89 . . . . MBP1 76 . hn MBP1 76 . n parsed_1l3g 1
55 . . . . . . . . . . . . . . . . -2.92 . . . . MBP1 78 . hn MBP1 78 . n parsed_1l3g 1
56 . . . . . . . . . . . . . . . . 3.32 . . . . MBP1 80 . hn MBP1 80 . n parsed_1l3g 1
57 . . . . . . . . . . . . . . . . -9.32 . . . . MBP1 81 . hn MBP1 81 . n parsed_1l3g 1
58 . . . . . . . . . . . . . . . . -3.29 . . . . MBP1 82 . hn MBP1 82 . n parsed_1l3g 1
59 . . . . . . . . . . . . . . . . 2.24 . . . . MBP1 83 . hn MBP1 83 . n parsed_1l3g 1
60 . . . . . . . . . . . . . . . . 1.41 . . . . MBP1 84 . hn MBP1 84 . n parsed_1l3g 1
61 . . . . . . . . . . . . . . . . -11.05 . . . . MBP1 85 . hn MBP1 85 . n parsed_1l3g 1
62 . . . . . . . . . . . . . . . . 0.22 . . . . MBP1 86 . hn MBP1 86 . n parsed_1l3g 1
63 . . . . . . . . . . . . . . . . 0.30 . . . . MBP1 87 . hn MBP1 87 . n parsed_1l3g 1
64 . . . . . . . . . . . . . . . . -7.52 . . . . MBP1 88 . hn MBP1 88 . n parsed_1l3g 1
65 . . . . . . . . . . . . . . . . -9.44 . . . . MBP1 89 . hn MBP1 89 . n parsed_1l3g 1
66 . . . . . . . . . . . . . . . . -4.07 . . . . MBP1 91 . hn MBP1 91 . n parsed_1l3g 1
67 . . . . . . . . . . . . . . . . -7.86 . . . . MBP1 92 . hn MBP1 92 . n parsed_1l3g 1
68 . . . . . . . . . . . . . . . . 9.31 . . . . MBP1 93 . hn MBP1 93 . n parsed_1l3g 1
69 . . . . . . . . . . . . . . . . 11.76 . . . . MBP1 94 . hn MBP1 94 . n parsed_1l3g 1
70 . . . . . . . . . . . . . . . . 11.42 . . . . MBP1 96 . hn MBP1 96 . n parsed_1l3g 1
71 . . . . . . . . . . . . . . . . -1.24 . . . . MBP1 97 . hn MBP1 97 . n parsed_1l3g 1
72 . . . . . . . . . . . . . . . . -4.69 . . . . MBP1 100 . hn MBP1 100 . n parsed_1l3g 1
73 . . . . . . . . . . . . . . . . 7.72 . . . . MBP1 102 . hn MBP1 102 . n parsed_1l3g 1
74 . . . . . . . . . . . . . . . . -5.53 . . . . MBP1 103 . hn MBP1 103 . n parsed_1l3g 1
75 . . . . . . . . . . . . . . . . -3.38 . . . . MBP1 104 . hn MBP1 104 . n parsed_1l3g 1
76 . . . . . . . . . . . . . . . . 0.26 . . . . MBP1 106 . hn MBP1 106 . n parsed_1l3g 1
77 . . . . . . . . . . . . . . . . -2.90 . . . . MBP1 107 . hn MBP1 107 . n parsed_1l3g 1
78 . . . . . . . . . . . . . . . . -3.68 . . . . MBP1 110 . hn MBP1 110 . n parsed_1l3g 1
79 . . . . . . . . . . . . . . . . -2.08 . . . . MBP1 114 . hn MBP1 114 . n parsed_1l3g 1
80 . . . . . . . . . . . . . . . . -2.08 . . . . MBP1 116 . hn MBP1 116 . n parsed_1l3g 1
81 . . . . . . . . . . . . . . . . -3.42 . . . . MBP1 119 . hn MBP1 119 . n parsed_1l3g 1
82 . . . . . . . . . . . . . . . . -1.06 . . . . MBP1 121 . hn MBP1 121 . n parsed_1l3g 1
83 . . . . . . . . . . . . . . . . -3.14 . . . . MBP1 122 . hn MBP1 122 . n parsed_1l3g 1
84 . . . . . . . . . . . . . . . . -0.26 . . . . MBP1 123 . hn MBP1 123 . n parsed_1l3g 1
85 . . . . . . . . . . . . . . . . -7.99 . . . . MBP1 124 . hn MBP1 124 . n parsed_1l3g 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 4 1 1 1 4 parsed_1l3g 1
2 5 8 1 8 4 parsed_1l3g 1
3 7 15 1 15 4 parsed_1l3g 1
4 8 22 1 22 4 parsed_1l3g 1
5 9 29 1 29 4 parsed_1l3g 1
6
;
10
assign (segid AXIS and resid 101 and name c1)
;
36 1 37 47 parsed_1l3g 1
7 12 43 1 43 5 parsed_1l3g 1
8 13 50 1 50 5 parsed_1l3g 1
9 14 57 1 57 5 parsed_1l3g 1
10 15 64 1 64 5 parsed_1l3g 1
11 16 71 1 71 5 parsed_1l3g 1
12 18 78 1 78 5 parsed_1l3g 1
13 19 85 1 85 5 parsed_1l3g 1
14 20 92 1 92 5 parsed_1l3g 1
15 21 99 1 99 5 parsed_1l3g 1
16 22 106 1 106 5 parsed_1l3g 1
17 24 113 1 113 5 parsed_1l3g 1
18 25 120 1 120 5 parsed_1l3g 1
19 26 127 1 127 5 parsed_1l3g 1
20 27 134 1 134 5 parsed_1l3g 1
21 28 141 1 141 5 parsed_1l3g 1
22 29 148 1 148 5 parsed_1l3g 1
23 30 155 1 155 5 parsed_1l3g 1
24 32 162 1 162 5 parsed_1l3g 1
25 33 169 1 169 5 parsed_1l3g 1
26 34 176 1 176 5 parsed_1l3g 1
27 35 183 1 183 5 parsed_1l3g 1
28 36 190 1 190 5 parsed_1l3g 1
29 37 197 1 197 5 parsed_1l3g 1
30 38 204 1 204 5 parsed_1l3g 1
31 40 211 1 211 5 parsed_1l3g 1
32 41 218 1 218 5 parsed_1l3g 1
33 42 225 1 225 5 parsed_1l3g 1
34 43 232 1 232 5 parsed_1l3g 1
35 44 239 1 239 5 parsed_1l3g 1
36 45 246 1 246 5 parsed_1l3g 1
37 46 253 1 253 5 parsed_1l3g 1
38 49 260 1 260 5 parsed_1l3g 1
39 50 267 1 267 5 parsed_1l3g 1
40 51 274 1 274 5 parsed_1l3g 1
41 53 281 1 281 5 parsed_1l3g 1
42 54 288 1 288 5 parsed_1l3g 1
43 55 295 1 295 5 parsed_1l3g 1
44 56 302 1 302 5 parsed_1l3g 1
45 57 309 1 309 5 parsed_1l3g 1
46 58 316 1 316 5 parsed_1l3g 1
47 59 323 1 323 5 parsed_1l3g 1
48 61 330 1 330 5 parsed_1l3g 1
49 62 337 1 337 5 parsed_1l3g 1
50 64 344 1 344 5 parsed_1l3g 1
51 65 351 1 351 5 parsed_1l3g 1
52 66 358 1 358 5 parsed_1l3g 1
53 68 365 1 365 5 parsed_1l3g 1
54 70 372 1 372 5 parsed_1l3g 1
55 76 379 1 379 5 parsed_1l3g 1
56 78 386 1 386 5 parsed_1l3g 1
57 80 393 1 393 5 parsed_1l3g 1
58 81 400 1 400 5 parsed_1l3g 1
59 82 407 1 407 5 parsed_1l3g 1
60 83 414 1 414 5 parsed_1l3g 1
61 84 421 1 421 5 parsed_1l3g 1
62 85 428 1 428 5 parsed_1l3g 1
63 86 435 1 435 5 parsed_1l3g 1
64 87 442 1 442 5 parsed_1l3g 1
65 88 449 1 449 5 parsed_1l3g 1
66 89 456 1 456 5 parsed_1l3g 1
67 91 463 1 463 5 parsed_1l3g 1
68 92 470 1 470 5 parsed_1l3g 1
69 93 477 1 477 5 parsed_1l3g 1
70 94 484 1 484 5 parsed_1l3g 1
71 96 491 1 491 5 parsed_1l3g 1
72 97 498 1 498 5 parsed_1l3g 1
73 100 505 1 505 6 parsed_1l3g 1
74 102 512 1 512 5 parsed_1l3g 1
75 103 519 1 519 5 parsed_1l3g 1
76 104 526 1 526 5 parsed_1l3g 1
77 106 533 1 533 5 parsed_1l3g 1
78 107 540 1 540 5 parsed_1l3g 1
79 110 547 1 547 5 parsed_1l3g 1
80 114 554 1 554 5 parsed_1l3g 1
81 116 561 1 561 5 parsed_1l3g 1
82 119 568 1 568 5 parsed_1l3g 1
83 121 575 1 575 5 parsed_1l3g 1
84 122 582 1 582 5 parsed_1l3g 1
85 123 589 1 589 5 parsed_1l3g 1
86 124 596 1 596 5 parsed_1l3g 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
(segid AXIS and resid 101 and name c2)
(segid AXIS and resid 101 and name c3)
(segid AXIS and resid 101 and name c4)
(segid MBP1 and resid 10 and name hn)
(segid MBP1 and resid 10 and name n) -3.2 0.2
;
38 9 42 60 parsed_1l3g 1
stop_
save_
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