NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52034 |
2kct   |
16096 | cing | 2-parsed | STAR | dipolar coupling | 49 |
data_2kct_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kct
_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_2kct 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kct
_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 2kct "Master copy" parsed_2kct
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kct
_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 2kct.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kct 1
1 2kct.mr . . XPLOR/CNS 2 distance NOE simple 1437 parsed_2kct 1
1 2kct.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 79 parsed_2kct 1
1 2kct.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 49 parsed_2kct 1
1 2kct.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kct 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kct
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 6.7700 . . . . . 53 . N . 53 . HN parsed_2kct 1
2 . . . . . . . . . . . . . . . . 14.7560 . . . . . 55 . N . 55 . HN parsed_2kct 1
3 . . . . . . . . . . . . . . . . 11.6120 . . . . . 56 . N . 56 . HN parsed_2kct 1
4 . . . . . . . . . . . . . . . . 13.1800 . . . . . 57 . N . 57 . HN parsed_2kct 1
5 . . . . . . . . . . . . . . . . 10.1980 . . . . . 58 . N . 58 . HN parsed_2kct 1
6 . . . . . . . . . . . . . . . . -5.9960 . . . . . 59 . N . 59 . HN parsed_2kct 1
7 . . . . . . . . . . . . . . . . -25.2640 . . . . . 60 . N . 60 . HN parsed_2kct 1
8 . . . . . . . . . . . . . . . . 5.2940 . . . . . 61 . N . 61 . HN parsed_2kct 1
9 . . . . . . . . . . . . . . . . 6.3100 . . . . . 62 . N . 62 . HN parsed_2kct 1
10 . . . . . . . . . . . . . . . . -0.8980 . . . . . 63 . N . 63 . HN parsed_2kct 1
11 . . . . . . . . . . . . . . . . -0.8040 . . . . . 65 . N . 65 . HN parsed_2kct 1
12 . . . . . . . . . . . . . . . . 0.2440 . . . . . 66 . N . 66 . HN parsed_2kct 1
13 . . . . . . . . . . . . . . . . 6.1280 . . . . . 67 . N . 67 . HN parsed_2kct 1
14 . . . . . . . . . . . . . . . . -0.2000 . . . . . 68 . N . 68 . HN parsed_2kct 1
15 . . . . . . . . . . . . . . . . -12.1940 . . . . . 72 . N . 72 . HN parsed_2kct 1
16 . . . . . . . . . . . . . . . . -4.3220 . . . . . 73 . N . 73 . HN parsed_2kct 1
17 . . . . . . . . . . . . . . . . -9.7500 . . . . . 75 . N . 75 . HN parsed_2kct 1
18 . . . . . . . . . . . . . . . . -15.8440 . . . . . 76 . N . 76 . HN parsed_2kct 1
19 . . . . . . . . . . . . . . . . -25.8400 . . . . . 77 . N . 77 . HN parsed_2kct 1
20 . . . . . . . . . . . . . . . . -5.0340 . . . . . 78 . N . 78 . HN parsed_2kct 1
21 . . . . . . . . . . . . . . . . 2.9020 . . . . . 84 . N . 84 . HN parsed_2kct 1
22 . . . . . . . . . . . . . . . . -7.6480 . . . . . 85 . N . 85 . HN parsed_2kct 1
23 . . . . . . . . . . . . . . . . -17.5260 . . . . . 88 . N . 88 . HN parsed_2kct 1
24 . . . . . . . . . . . . . . . . -5.7380 . . . . . 90 . N . 90 . HN parsed_2kct 1
25 . . . . . . . . . . . . . . . . -0.3340 . . . . . 91 . N . 91 . HN parsed_2kct 1
26 . . . . . . . . . . . . . . . . -1.3740 . . . . . 92 . N . 92 . HN parsed_2kct 1
27 . . . . . . . . . . . . . . . . 9.1320 . . . . . 93 . N . 93 . HN parsed_2kct 1
28 . . . . . . . . . . . . . . . . 10.5600 . . . . . 94 . N . 94 . HN parsed_2kct 1
29 . . . . . . . . . . . . . . . . 19.7380 . . . . . 97 . N . 97 . HN parsed_2kct 1
30 . . . . . . . . . . . . . . . . 4.5600 . . . . . 98 . N . 98 . HN parsed_2kct 1
31 . . . . . . . . . . . . . . . . 13.9720 . . . . . 99 . N . 99 . HN parsed_2kct 1
32 . . . . . . . . . . . . . . . . 6.5260 . . . . . 100 . N . 100 . HN parsed_2kct 1
33 . . . . . . . . . . . . . . . . -23.9640 . . . . . 102 . N . 102 . HN parsed_2kct 1
34 . . . . . . . . . . . . . . . . -0.1540 . . . . . 103 . N . 103 . HN parsed_2kct 1
35 . . . . . . . . . . . . . . . . 15.9420 . . . . . 105 . N . 105 . HN parsed_2kct 1
36 . . . . . . . . . . . . . . . . 12.8800 . . . . . 106 . N . 106 . HN parsed_2kct 1
37 . . . . . . . . . . . . . . . . 10.6000 . . . . . 108 . N . 108 . HN parsed_2kct 1
38 . . . . . . . . . . . . . . . . 10.2780 . . . . . 109 . N . 109 . HN parsed_2kct 1
39 . . . . . . . . . . . . . . . . 6.1580 . . . . . 110 . N . 110 . HN parsed_2kct 1
40 . . . . . . . . . . . . . . . . 5.8500 . . . . . 111 . N . 111 . HN parsed_2kct 1
41 . . . . . . . . . . . . . . . . -1.9000 . . . . . 112 . N . 112 . HN parsed_2kct 1
42 . . . . . . . . . . . . . . . . 11.2020 . . . . . 115 . N . 115 . HN parsed_2kct 1
43 . . . . . . . . . . . . . . . . 2.7000 . . . . . 116 . N . 116 . HN parsed_2kct 1
44 . . . . . . . . . . . . . . . . -18.3760 . . . . . 117 . N . 117 . HN parsed_2kct 1
45 . . . . . . . . . . . . . . . . -12.5360 . . . . . 118 . N . 118 . HN parsed_2kct 1
46 . . . . . . . . . . . . . . . . -8.6200 . . . . . 119 . N . 119 . HN parsed_2kct 1
47 . . . . . . . . . . . . . . . . 5.6560 . . . . . 120 . N . 120 . HN parsed_2kct 1
48 . . . . . . . . . . . . . . . . 16.2940 . . . . . 122 . N . 122 . HN parsed_2kct 1
49 . . . . . . . . . . . . . . . . 16.4920 . . . . . 126 . N . 126 . HN parsed_2kct 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 "NH-Residual dipolar couplings (ordered residues only)" 1 1 3 2 parsed_2kct 1
stop_
save_
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