NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
33332 |
1i42   |
5155 | cing | recoord | 2-parsed | STAR | dipolar coupling | 56 |
data_1i42_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i42
_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_1i42 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i42
_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 1i42 "Master copy" parsed_1i42
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i42
_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 1i42.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i42 1
1 1i42.mr . . XPLOR/CNS 2 distance NOE ambi 1049 parsed_1i42 1
1 1i42.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 56 parsed_1i42 1
1 1i42.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1i42 1
1 1i42.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1i42 1
1 1i42.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i42 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1i42
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -0.9122 . . . . P47 10 . N P47 10 . HN parsed_1i42 1
2 . . . . . . . . . . . . . . . . 12.1626 . . . . P47 11 . N P47 11 . HN parsed_1i42 1
3 . . . . . . . . . . . . . . . . -6.2334 . . . . P47 12 . N P47 12 . HN parsed_1i42 1
4 . . . . . . . . . . . . . . . . 7.9058 . . . . P47 14 . N P47 14 . HN parsed_1i42 1
5 . . . . . . . . . . . . . . . . 9.7302 . . . . P47 15 . N P47 15 . HN parsed_1i42 1
6 . . . . . . . . . . . . . . . . 3.3954 . . . . P47 16 . N P47 16 . HN parsed_1i42 1
7 . . . . . . . . . . . . . . . . 6.0813 . . . . P47 17 . N P47 17 . HN parsed_1i42 1
8 . . . . . . . . . . . . . . . . 2.7873 . . . . P47 18 . N P47 18 . HN parsed_1i42 1
9 . . . . . . . . . . . . . . . . -3.3447 . . . . P47 19 . N P47 19 . HN parsed_1i42 1
10 . . . . . . . . . . . . . . . . -5.2705 . . . . P47 20 . N P47 20 . HN parsed_1i42 1
11 . . . . . . . . . . . . . . . . -5.8279 . . . . P47 21 . N P47 21 . HN parsed_1i42 1
12 . . . . . . . . . . . . . . . . 16.4192 . . . . P47 22 . N P47 22 . HN parsed_1i42 1
13 . . . . . . . . . . . . . . . . -4.7638 . . . . P47 24 . N P47 24 . HN parsed_1i42 1
14 . . . . . . . . . . . . . . . . 6.1827 . . . . P47 26 . N P47 26 . HN parsed_1i42 1
15 . . . . . . . . . . . . . . . . -2.4832 . . . . P47 27 . N P47 27 . HN parsed_1i42 1
16 . . . . . . . . . . . . . . . . 1.723 . . . . P47 29 . N P47 29 . HN parsed_1i42 1
17 . . . . . . . . . . . . . . . . -0.4054 . . . . P47 30 . N P47 30 . HN parsed_1i42 1
18 . . . . . . . . . . . . . . . . 6.4361 . . . . P47 31 . N P47 31 . HN parsed_1i42 1
19 . . . . . . . . . . . . . . . . 6.4361 . . . . P47 74 . N P47 74 . HN parsed_1i42 1
20 . . . . . . . . . . . . . . . . 5.5746 . . . . P47 35 . N P47 35 . HN parsed_1i42 1
21 . . . . . . . . . . . . . . . . -3.2434 . . . . P47 36 . N P47 36 . HN parsed_1i42 1
22 . . . . . . . . . . . . . . . . -5.8787 . . . . P47 37 . N P47 37 . HN parsed_1i42 1
23 . . . . . . . . . . . . . . . . -6.6895 . . . . P47 38 . N P47 38 . HN parsed_1i42 1
24 . . . . . . . . . . . . . . . . -8.3112 . . . . P47 40 . N P47 40 . HN parsed_1i42 1
25 . . . . . . . . . . . . . . . . -10.2369 . . . . P47 44 . N P47 44 . HN parsed_1i42 1
26 . . . . . . . . . . . . . . . . 5.0681 . . . . P47 50 . N P47 50 . HN parsed_1i42 1
27 . . . . . . . . . . . . . . . . 5.0681 . . . . P47 64 . N P47 64 . HN parsed_1i42 1
28 . . . . . . . . . . . . . . . . 5.0681 . . . . P47 81 . N P47 81 . HN parsed_1i42 1
29 . . . . . . . . . . . . . . . . -2.5339 . . . . P47 51 . N P47 51 . HN parsed_1i42 1
30 . . . . . . . . . . . . . . . . -1.0135 . . . . P47 52 . N P47 52 . HN parsed_1i42 1
31 . . . . . . . . . . . . . . . . 4.4597 . . . . P47 53 . N P47 53 . HN parsed_1i42 1
32 . . . . . . . . . . . . . . . . -3.5475 . . . . P47 54 . N P47 54 . HN parsed_1i42 1
33 . . . . . . . . . . . . . . . . 5.4228 . . . . P47 56 . N P47 56 . HN parsed_1i42 1
34 . . . . . . . . . . . . . . . . 2.3312 . . . . P47 58 . N P47 58 . HN parsed_1i42 1
35 . . . . . . . . . . . . . . . . 3.1927 . . . . P47 60 . N P47 60 . HN parsed_1i42 1
36 . . . . . . . . . . . . . . . . -1.0136 . . . . P47 62 . N P47 62 . HN parsed_1i42 1
37 . . . . . . . . . . . . . . . . -1.0136 . . . . P47 65 . N P47 65 . HN parsed_1i42 1
38 . . . . . . . . . . . . . . . . -3.9022 . . . . P47 66 . N P47 66 . HN parsed_1i42 1
39 . . . . . . . . . . . . . . . . -8.3618 . . . . P47 67 . N P47 67 . HN parsed_1i42 1
40 . . . . . . . . . . . . . . . . 1.2163 . . . . P47 68 . N P47 68 . HN parsed_1i42 1
41 . . . . . . . . . . . . . . . . 5.7773 . . . . P47 69 . N P47 69 . HN parsed_1i42 1
42 . . . . . . . . . . . . . . . . 5.4225 . . . . P47 6 . N P47 6 . HN parsed_1i42 1
43 . . . . . . . . . . . . . . . . 2.1285 . . . . P47 70 . N P47 70 . HN parsed_1i42 1
44 . . . . . . . . . . . . . . . . -3.142 . . . . P47 71 . N P47 71 . HN parsed_1i42 1
45 . . . . . . . . . . . . . . . . 9.8319 . . . . P47 79 . N P47 79 . HN parsed_1i42 1
46 . . . . . . . . . . . . . . . . -5.1692 . . . . P47 7 . N P47 7 . HN parsed_1i42 1
47 . . . . . . . . . . . . . . . . -3.5981 . . . . P47 80 . N P47 80 . HN parsed_1i42 1
48 . . . . . . . . . . . . . . . . 11.0985 . . . . P47 82 . N P47 82 . HN parsed_1i42 1
49 . . . . . . . . . . . . . . . . -4.6117 . . . . P47 84 . N P47 84 . HN parsed_1i42 1
50 . . . . . . . . . . . . . . . . -5.6759 . . . . P47 85 . N P47 85 . HN parsed_1i42 1
51 . . . . . . . . . . . . . . . . 1.0642 . . . . P47 86 . N P47 86 . HN parsed_1i42 1
52 . . . . . . . . . . . . . . . . 5.828 . . . . P47 87 . N P47 87 . HN parsed_1i42 1
53 . . . . . . . . . . . . . . . . 10.7434 . . . . P47 88 . N P47 88 . HN parsed_1i42 1
54 . . . . . . . . . . . . . . . . 2.4833 . . . . P47 89 . N P47 89 . HN parsed_1i42 1
55 . . . . . . . . . . . . . . . . -3.6488 . . . . P47 8 . N P47 8 . HN parsed_1i42 1
56 . . . . . . . . . . . . . . . . -3.5982 . . . . P47 9 . N P47 9 . HN parsed_1i42 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 10 4 1 4 8 parsed_1i42 1
2 11 8 1 8 8 parsed_1i42 1
3 12 12 1 12 8 parsed_1i42 1
4 14 16 1 16 8 parsed_1i42 1
5 15 20 1 20 8 parsed_1i42 1
6 16 24 1 24 8 parsed_1i42 1
7 17 28 1 28 8 parsed_1i42 1
8 18 32 1 32 8 parsed_1i42 1
9 19 36 1 36 8 parsed_1i42 1
10 20 40 1 40 8 parsed_1i42 1
11 21 44 1 44 8 parsed_1i42 1
12 22 48 1 48 8 parsed_1i42 1
13 24 52 1 52 8 parsed_1i42 1
14 26 56 1 56 8 parsed_1i42 1
15 27 60 1 60 8 parsed_1i42 1
16 29 64 1 64 8 parsed_1i42 1
17 30 68 1 68 8 parsed_1i42 1
18 31 72 1 72 8 parsed_1i42 1
19 74 76 1 76 8 parsed_1i42 1
20 35 80 1 80 8 parsed_1i42 1
21 36 84 1 84 8 parsed_1i42 1
22 37 88 1 88 8 parsed_1i42 1
23 38 92 1 92 8 parsed_1i42 1
24 40 96 1 96 8 parsed_1i42 1
25 44 100 1 100 8 parsed_1i42 1
26 50 104 1 104 8 parsed_1i42 1
27 64 108 1 108 8 parsed_1i42 1
28 81 112 1 112 8 parsed_1i42 1
29 51 116 1 116 8 parsed_1i42 1
30 52 120 1 120 8 parsed_1i42 1
31 53 124 1 124 8 parsed_1i42 1
32 54 128 1 128 8 parsed_1i42 1
33 56 132 1 132 8 parsed_1i42 1
34 58 136 1 136 8 parsed_1i42 1
35 60 140 1 140 8 parsed_1i42 1
36 62 144 1 144 8 parsed_1i42 1
37 65 148 1 148 8 parsed_1i42 1
38 66 152 1 152 8 parsed_1i42 1
39 67 156 1 156 8 parsed_1i42 1
40 68 160 1 160 8 parsed_1i42 1
41 69 164 1 164 8 parsed_1i42 1
42 6 168 1 168 7 parsed_1i42 1
43 70 172 1 172 8 parsed_1i42 1
44 71 176 1 176 8 parsed_1i42 1
45 79 180 1 180 8 parsed_1i42 1
46 7 184 1 184 7 parsed_1i42 1
47 80 188 1 188 8 parsed_1i42 1
48 82 192 1 192 8 parsed_1i42 1
49 84 196 1 196 8 parsed_1i42 1
50 85 200 1 200 8 parsed_1i42 1
51 86 204 1 204 8 parsed_1i42 1
52 87 208 1 208 8 parsed_1i42 1
53 88 212 1 212 8 parsed_1i42 1
54 89 216 1 216 8 parsed_1i42 1
55 8 220 1 220 7 parsed_1i42 1
56 9 224 1 224 7 parsed_1i42 1
stop_
save_
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