NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533494 |
2kyw   |
16988 | cing | 2-parsed | STAR | dipolar coupling | 61 |
data_2kyw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kyw
_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_2kyw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kyw
_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 2kyw "Master copy" parsed_2kyw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kyw
_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 2kyw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kyw 1
1 2kyw.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 92 parsed_2kyw 1
1 2kyw.mr . . XPLOR/CNS 3 distance NOE simple 905 parsed_2kyw 1
1 2kyw.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_2kyw 1
1 2kyw.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kyw 1
1 2kyw.mr . . DYANA/DIANA 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kyw 1
1 2kyw.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kyw 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kyw
_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 . . . . . . . . . . . . . . . . -6.2200 . . . . . 2 . N . 2 . HN parsed_2kyw 1
2 . . . . . . . . . . . . . . . . -16.1500 . . . . . 3 . N . 3 . HN parsed_2kyw 1
3 . . . . . . . . . . . . . . . . -9.2200 . . . . . 4 . N . 4 . HN parsed_2kyw 1
4 . . . . . . . . . . . . . . . . -13.5400 . . . . . 5 . N . 5 . HN parsed_2kyw 1
5 . . . . . . . . . . . . . . . . -14.1600 . . . . . 6 . N . 6 . HN parsed_2kyw 1
6 . . . . . . . . . . . . . . . . -17.9500 . . . . . 7 . N . 7 . HN parsed_2kyw 1
7 . . . . . . . . . . . . . . . . -14.7200 . . . . . 8 . N . 8 . HN parsed_2kyw 1
8 . . . . . . . . . . . . . . . . -17.6900 . . . . . 9 . N . 9 . HN parsed_2kyw 1
9 . . . . . . . . . . . . . . . . -17.4800 . . . . . 10 . N . 10 . HN parsed_2kyw 1
10 . . . . . . . . . . . . . . . . -15.1300 . . . . . 11 . N . 11 . HN parsed_2kyw 1
11 . . . . . . . . . . . . . . . . -18.9800 . . . . . 12 . N . 12 . HN parsed_2kyw 1
12 . . . . . . . . . . . . . . . . -16.8200 . . . . . 13 . N . 13 . HN parsed_2kyw 1
13 . . . . . . . . . . . . . . . . 11.9600 . . . . . 14 . N . 14 . HN parsed_2kyw 1
14 . . . . . . . . . . . . . . . . 1.9900 . . . . . 15 . N . 15 . HN parsed_2kyw 1
15 . . . . . . . . . . . . . . . . 15.9600 . . . . . 16 . N . 16 . HN parsed_2kyw 1
16 . . . . . . . . . . . . . . . . -11.8800 . . . . . 18 . N . 18 . HN parsed_2kyw 1
17 . . . . . . . . . . . . . . . . 5.8800 . . . . . 19 . N . 19 . HN parsed_2kyw 1
18 . . . . . . . . . . . . . . . . 12.6600 . . . . . 20 . N . 20 . HN parsed_2kyw 1
19 . . . . . . . . . . . . . . . . -11.6200 . . . . . 21 . N . 21 . HN parsed_2kyw 1
20 . . . . . . . . . . . . . . . . -16.1000 . . . . . 23 . N . 23 . HN parsed_2kyw 1
21 . . . . . . . . . . . . . . . . -16.5300 . . . . . 25 . N . 25 . HN parsed_2kyw 1
22 . . . . . . . . . . . . . . . . -10.8800 . . . . . 26 . N . 26 . HN parsed_2kyw 1
23 . . . . . . . . . . . . . . . . -13.2100 . . . . . 27 . N . 27 . HN parsed_2kyw 1
24 . . . . . . . . . . . . . . . . 0.2300 . . . . . 29 . N . 29 . HN parsed_2kyw 1
25 . . . . . . . . . . . . . . . . -10.8200 . . . . . 32 . N . 32 . HN parsed_2kyw 1
26 . . . . . . . . . . . . . . . . -15.1200 . . . . . 33 . N . 33 . HN parsed_2kyw 1
27 . . . . . . . . . . . . . . . . -12.6800 . . . . . 34 . N . 34 . HN parsed_2kyw 1
28 . . . . . . . . . . . . . . . . -18.6000 . . . . . 35 . N . 35 . HN parsed_2kyw 1
29 . . . . . . . . . . . . . . . . -12.7500 . . . . . 36 . N . 36 . HN parsed_2kyw 1
30 . . . . . . . . . . . . . . . . -17.4900 . . . . . 37 . N . 37 . HN parsed_2kyw 1
31 . . . . . . . . . . . . . . . . -5.5800 . . . . . 38 . N . 38 . HN parsed_2kyw 1
32 . . . . . . . . . . . . . . . . -15.7100 . . . . . 39 . N . 39 . HN parsed_2kyw 1
33 . . . . . . . . . . . . . . . . -9.4600 . . . . . 41 . N . 41 . HN parsed_2kyw 1
34 . . . . . . . . . . . . . . . . -15.4000 . . . . . 42 . N . 42 . HN parsed_2kyw 1
35 . . . . . . . . . . . . . . . . -8.2600 . . . . . 43 . N . 43 . HN parsed_2kyw 1
36 . . . . . . . . . . . . . . . . -18.5500 . . . . . 44 . N . 44 . HN parsed_2kyw 1
37 . . . . . . . . . . . . . . . . -11.9200 . . . . . 45 . N . 45 . HN parsed_2kyw 1
38 . . . . . . . . . . . . . . . . -5.0200 . . . . . 46 . N . 46 . HN parsed_2kyw 1
39 . . . . . . . . . . . . . . . . -17.8900 . . . . . 47 . N . 47 . HN parsed_2kyw 1
40 . . . . . . . . . . . . . . . . -17.4500 . . . . . 48 . N . 48 . HN parsed_2kyw 1
41 . . . . . . . . . . . . . . . . -14.0900 . . . . . 49 . N . 49 . HN parsed_2kyw 1
42 . . . . . . . . . . . . . . . . 13.6800 . . . . . 51 . N . 51 . HN parsed_2kyw 1
43 . . . . . . . . . . . . . . . . -17.9800 . . . . . 53 . N . 53 . HN parsed_2kyw 1
44 . . . . . . . . . . . . . . . . -16.2300 . . . . . 54 . N . 54 . HN parsed_2kyw 1
45 . . . . . . . . . . . . . . . . 13.8900 . . . . . 56 . N . 56 . HN parsed_2kyw 1
46 . . . . . . . . . . . . . . . . -12.0400 . . . . . 59 . N . 59 . HN parsed_2kyw 1
47 . . . . . . . . . . . . . . . . -17.4500 . . . . . 60 . N . 60 . HN parsed_2kyw 1
48 . . . . . . . . . . . . . . . . -15.0800 . . . . . 61 . N . 61 . HN parsed_2kyw 1
49 . . . . . . . . . . . . . . . . -19.1200 . . . . . 62 . N . 62 . HN parsed_2kyw 1
50 . . . . . . . . . . . . . . . . -8.6900 . . . . . 63 . N . 63 . HN parsed_2kyw 1
51 . . . . . . . . . . . . . . . . -15.6600 . . . . . 67 . N . 67 . HN parsed_2kyw 1
52 . . . . . . . . . . . . . . . . -4.8000 . . . . . 70 . N . 70 . HN parsed_2kyw 1
53 . . . . . . . . . . . . . . . . -2.9900 . . . . . 71 . N . 71 . HN parsed_2kyw 1
54 . . . . . . . . . . . . . . . . -18.2900 . . . . . 72 . N . 72 . HN parsed_2kyw 1
55 . . . . . . . . . . . . . . . . -15.7400 . . . . . 73 . N . 73 . HN parsed_2kyw 1
56 . . . . . . . . . . . . . . . . -18.0700 . . . . . 74 . N . 74 . HN parsed_2kyw 1
57 . . . . . . . . . . . . . . . . -12.7100 . . . . . 75 . N . 75 . HN parsed_2kyw 1
58 . . . . . . . . . . . . . . . . -15.3800 . . . . . 76 . N . 76 . HN parsed_2kyw 1
59 . . . . . . . . . . . . . . . . -17.2200 . . . . . 78 . N . 78 . HN parsed_2kyw 1
60 . . . . . . . . . . . . . . . . -13.0700 . . . . . 79 . N . 79 . HN parsed_2kyw 1
61 . . . . . . . . . . . . . . . . -6.1000 . . . . . 80 . N . 80 . HN parsed_2kyw 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 "RDC data for ptr41o" 1 1 1 22 parsed_2kyw 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
;
class=rdc1
potential=harmonic
coefficient 0.0 15.4300 6.000000E-02
;
2 1 4 36 parsed_2kyw 1
stop_
save_
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