NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533759 |
2l4h   |
17329 | cing | 2-parsed | STAR | dipolar coupling | 57 |
data_2l4h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l4h
_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_2l4h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l4h
_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 2l4h "Master copy" parsed_2l4h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l4h
_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 2l4h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l4h 1
1 2l4h.mr . . XPLOR/CNS 2 distance NOE simple 425 parsed_2l4h 1
1 2l4h.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 128 parsed_2l4h 1
1 2l4h.mr . . XPLOR/CNS 4 distance "general distance" simple 14 parsed_2l4h 1
1 2l4h.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 57 parsed_2l4h 1
1 2l4h.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l4h 1
1 2l4h.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l4h 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l4h
_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 . . . . . . . . . . . . . . . . -22.8187 . . . . . 7 . C . 8 . N parsed_2l4h 1
2 . . . . . . . . . . . . . . . . -49.3960 . . . . . 11 . C . 12 . N parsed_2l4h 1
3 . . . . . . . . . . . . . . . . -26.5239 . . . . . 12 . C . 13 . N parsed_2l4h 1
4 . . . . . . . . . . . . . . . . -41.9276 . . . . . 15 . C . 16 . N parsed_2l4h 1
5 . . . . . . . . . . . . . . . . -36.8390 . . . . . 19 . C . 20 . N parsed_2l4h 1
6 . . . . . . . . . . . . . . . . 33.0759 . . . . . 21 . C . 22 . N parsed_2l4h 1
7 . . . . . . . . . . . . . . . . -26.7152 . . . . . 22 . C . 23 . N parsed_2l4h 1
8 . . . . . . . . . . . . . . . . 1.1965 . . . . . 24 . C . 25 . N parsed_2l4h 1
9 . . . . . . . . . . . . . . . . -26.2793 . . . . . 27 . C . 28 . N parsed_2l4h 1
10 . . . . . . . . . . . . . . . . 4.4080 . . . . . 28 . C . 29 . N parsed_2l4h 1
11 . . . . . . . . . . . . . . . . 61.6237 . . . . . 32 . C . 33 . N parsed_2l4h 1
12 . . . . . . . . . . . . . . . . -1.7703 . . . . . 34 . C . 35 . N parsed_2l4h 1
13 . . . . . . . . . . . . . . . . 30.5583 . . . . . 41 . C . 42 . N parsed_2l4h 1
14 . . . . . . . . . . . . . . . . -28.8814 . . . . . 42 . C . 43 . N parsed_2l4h 1
15 . . . . . . . . . . . . . . . . 31.8082 . . . . . 49 . C . 50 . N parsed_2l4h 1
16 . . . . . . . . . . . . . . . . -23.3080 . . . . . 50 . C . 51 . N parsed_2l4h 1
17 . . . . . . . . . . . . . . . . -22.8409 . . . . . 51 . C . 52 . N parsed_2l4h 1
18 . . . . . . . . . . . . . . . . 9.5189 . . . . . 54 . C . 55 . N parsed_2l4h 1
19 . . . . . . . . . . . . . . . . 5.3688 . . . . . 56 . C . 57 . N parsed_2l4h 1
20 . . . . . . . . . . . . . . . . 9.3098 . . . . . 57 . C . 58 . N parsed_2l4h 1
21 . . . . . . . . . . . . . . . . 6.8056 . . . . . 60 . C . 61 . N parsed_2l4h 1
22 . . . . . . . . . . . . . . . . 44.5431 . . . . . 69 . C . 70 . N parsed_2l4h 1
23 . . . . . . . . . . . . . . . . -38.1334 . . . . . 72 . C . 73 . N parsed_2l4h 1
24 . . . . . . . . . . . . . . . . 26.1503 . . . . . 75 . C . 76 . N parsed_2l4h 1
25 . . . . . . . . . . . . . . . . 0.7206 . . . . . 79 . C . 80 . N parsed_2l4h 1
26 . . . . . . . . . . . . . . . . -42.1055 . . . . . 82 . C . 83 . N parsed_2l4h 1
27 . . . . . . . . . . . . . . . . -26.6129 . . . . . 84 . C . 85 . N parsed_2l4h 1
28 . . . . . . . . . . . . . . . . -54.1732 . . . . . 85 . C . 86 . N parsed_2l4h 1
29 . . . . . . . . . . . . . . . . -27.2134 . . . . . 98 . C . 99 . N parsed_2l4h 1
30 . . . . . . . . . . . . . . . . 44.0405 . . . . . 100 . C . 101 . N parsed_2l4h 1
31 . . . . . . . . . . . . . . . . -47.6568 . . . . . 101 . C . 102 . N parsed_2l4h 1
32 . . . . . . . . . . . . . . . . -13.8068 . . . . . 106 . C . 107 . N parsed_2l4h 1
33 . . . . . . . . . . . . . . . . 8.5448 . . . . . 107 . C . 108 . N parsed_2l4h 1
34 . . . . . . . . . . . . . . . . 1.8682 . . . . . 108 . C . 109 . N parsed_2l4h 1
35 . . . . . . . . . . . . . . . . 4.3057 . . . . . 111 . C . 112 . N parsed_2l4h 1
36 . . . . . . . . . . . . . . . . -75.6708 . . . . . 113 . C . 114 . N parsed_2l4h 1
37 . . . . . . . . . . . . . . . . -3.8520 . . . . . 117 . C . 118 . N parsed_2l4h 1
38 . . . . . . . . . . . . . . . . -47.6834 . . . . . 118 . C . 119 . N parsed_2l4h 1
39 . . . . . . . . . . . . . . . . 21.7734 . . . . . 122 . C . 123 . N parsed_2l4h 1
40 . . . . . . . . . . . . . . . . -3.9321 . . . . . 126 . C . 127 . N parsed_2l4h 1
41 . . . . . . . . . . . . . . . . -24.1842 . . . . . 135 . C . 136 . N parsed_2l4h 1
42 . . . . . . . . . . . . . . . . 4.9863 . . . . . 143 . C . 144 . N parsed_2l4h 1
43 . . . . . . . . . . . . . . . . 29.0148 . . . . . 148 . C . 149 . N parsed_2l4h 1
44 . . . . . . . . . . . . . . . . -45.9887 . . . . . 149 . C . 150 . N parsed_2l4h 1
45 . . . . . . . . . . . . . . . . -16.9250 . . . . . 154 . C . 155 . N parsed_2l4h 1
46 . . . . . . . . . . . . . . . . -42.7327 . . . . . 156 . C . 157 . N parsed_2l4h 1
47 . . . . . . . . . . . . . . . . -16.5068 . . . . . 158 . C . 159 . N parsed_2l4h 1
48 . . . . . . . . . . . . . . . . -26.1280 . . . . . 161 . C . 162 . N parsed_2l4h 1
49 . . . . . . . . . . . . . . . . -6.4809 . . . . . 165 . C . 166 . N parsed_2l4h 1
50 . . . . . . . . . . . . . . . . -21.6355 . . . . . 166 . C . 167 . N parsed_2l4h 1
51 . . . . . . . . . . . . . . . . -17.8724 . . . . . 167 . C . 168 . N parsed_2l4h 1
52 . . . . . . . . . . . . . . . . -35.3889 . . . . . 171 . C . 172 . N parsed_2l4h 1
53 . . . . . . . . . . . . . . . . -14.5408 . . . . . 172 . C . 173 . N parsed_2l4h 1
54 . . . . . . . . . . . . . . . . 29.3573 . . . . . 177 . C . 178 . N parsed_2l4h 1
55 . . . . . . . . . . . . . . . . -10.6976 . . . . . 178 . C . 179 . N parsed_2l4h 1
56 . . . . . . . . . . . . . . . . 41.7942 . . . . . 179 . C . 180 . N parsed_2l4h 1
57 . . . . . . . . . . . . . . . . -83.1347 . . . . . 182 . C . 183 . N parsed_2l4h 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 RDC-C'N 1 1 1 7 parsed_2l4h 1
stop_
save_
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