NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
610362 |
5t1n   |
30158 | cing | 2-parsed | STAR | dipolar coupling | 57 |
data_5t1n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5t1n
_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_5t1n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5t1n
_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 5t1n "Master copy" parsed_5t1n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5t1n
_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 5t1n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5t1n 1
1 5t1n.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 75 parsed_5t1n 1
1 5t1n.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_5t1n 1
1 5t1n.mr . . unknown 4 "pseudocontact shift" "Not applicable" "Not applicable" 0 parsed_5t1n 1
1 5t1n.mr . . XPLOR/CNS 5 distance NOE simple 692 parsed_5t1n 1
1 5t1n.mr . . unknown 6 "pseudocontact shift" "Not applicable" "Not applicable" 0 parsed_5t1n 1
1 5t1n.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 57 parsed_5t1n 1
1 5t1n.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_5t1n 1
1 5t1n.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5t1n 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5t1n
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . -2.6365 . . . . . 3 . N . 3 . HN parsed_5t1n 1
2 . . . . . . . . . . . . . . . . -3.3129 . . . . . 4 . N . 4 . HN parsed_5t1n 1
3 . . . . . . . . . . . . . . . . 2.4660 . . . . . 5 . N . 5 . HN parsed_5t1n 1
4 . . . . . . . . . . . . . . . . 0.6217 . . . . . 6 . N . 6 . HN parsed_5t1n 1
5 . . . . . . . . . . . . . . . . 9.1804 . . . . . 7 . N . 7 . HN parsed_5t1n 1
6 . . . . . . . . . . . . . . . . 11.2205 . . . . . 8 . N . 8 . HN parsed_5t1n 1
7 . . . . . . . . . . . . . . . . 10.8179 . . . . . 9 . N . 9 . HN parsed_5t1n 1
8 . . . . . . . . . . . . . . . . 12.9951 . . . . . 10 . N . 10 . HN parsed_5t1n 1
9 . . . . . . . . . . . . . . . . 1.1073 . . . . . 13 . N . 13 . HN parsed_5t1n 1
10 . . . . . . . . . . . . . . . . -2.9207 . . . . . 20 . N . 20 . HN parsed_5t1n 1
11 . . . . . . . . . . . . . . . . -8.6068 . . . . . 21 . N . 21 . HN parsed_5t1n 1
12 . . . . . . . . . . . . . . . . 1.7619 . . . . . 23 . N . 23 . HN parsed_5t1n 1
13 . . . . . . . . . . . . . . . . -10.6821 . . . . . 24 . N . 24 . HN parsed_5t1n 1
14 . . . . . . . . . . . . . . . . -10.2650 . . . . . 25 . N . 25 . HN parsed_5t1n 1
15 . . . . . . . . . . . . . . . . 2.9307 . . . . . 26 . N . 26 . HN parsed_5t1n 1
16 . . . . . . . . . . . . . . . . -2.2728 . . . . . 27 . N . 27 . HN parsed_5t1n 1
17 . . . . . . . . . . . . . . . . -20.1626 . . . . . 28 . N . 28 . HN parsed_5t1n 1
18 . . . . . . . . . . . . . . . . 11.6818 . . . . . 31 . N . 31 . HN parsed_5t1n 1
19 . . . . . . . . . . . . . . . . -16.0850 . . . . . 33 . N . 33 . HN parsed_5t1n 1
20 . . . . . . . . . . . . . . . . -1.2562 . . . . . 34 . N . 34 . HN parsed_5t1n 1
21 . . . . . . . . . . . . . . . . 6.0677 . . . . . 36 . N . 36 . HN parsed_5t1n 1
22 . . . . . . . . . . . . . . . . 8.1330 . . . . . 37 . N . 37 . HN parsed_5t1n 1
23 . . . . . . . . . . . . . . . . 6.0340 . . . . . 38 . N . 38 . HN parsed_5t1n 1
24 . . . . . . . . . . . . . . . . -18.2562 . . . . . 39 . N . 39 . HN parsed_5t1n 1
25 . . . . . . . . . . . . . . . . 2.4417 . . . . . 41 . N . 41 . HN parsed_5t1n 1
26 . . . . . . . . . . . . . . . . 3.9279 . . . . . 43 . N . 43 . HN parsed_5t1n 1
27 . . . . . . . . . . . . . . . . 6.4356 . . . . . 44 . N . 44 . HN parsed_5t1n 1
28 . . . . . . . . . . . . . . . . 6.5924 . . . . . 45 . N . 45 . HN parsed_5t1n 1
29 . . . . . . . . . . . . . . . . -11.3842 . . . . . 46 . N . 46 . HN parsed_5t1n 1
30 . . . . . . . . . . . . . . . . -3.9279 . . . . . 50 . N . 50 . HN parsed_5t1n 1
31 . . . . . . . . . . . . . . . . 6.7037 . . . . . 51 . N . 51 . HN parsed_5t1n 1
32 . . . . . . . . . . . . . . . . -1.8584 . . . . . 53 . N . 53 . HN parsed_5t1n 1
33 . . . . . . . . . . . . . . . . -4.0676 . . . . . 57 . N . 57 . HN parsed_5t1n 1
34 . . . . . . . . . . . . . . . . 12.0132 . . . . . 60 . N . 60 . HN parsed_5t1n 1
35 . . . . . . . . . . . . . . . . 3.7943 . . . . . 61 . N . 61 . HN parsed_5t1n 1
36 . . . . . . . . . . . . . . . . 11.5184 . . . . . 62 . N . 62 . HN parsed_5t1n 1
37 . . . . . . . . . . . . . . . . 9.0882 . . . . . 63 . N . 63 . HN parsed_5t1n 1
38 . . . . . . . . . . . . . . . . 10.4381 . . . . . 64 . N . 64 . HN parsed_5t1n 1
39 . . . . . . . . . . . . . . . . 5.2245 . . . . . 65 . N . 65 . HN parsed_5t1n 1
40 . . . . . . . . . . . . . . . . -0.3734 . . . . . 66 . N . 66 . HN parsed_5t1n 1
41 . . . . . . . . . . . . . . . . -1.1290 . . . . . 67 . N . 67 . HN parsed_5t1n 1
42 . . . . . . . . . . . . . . . . -6.8994 . . . . . 68 . N . 68 . HN parsed_5t1n 1
43 . . . . . . . . . . . . . . . . 0.0962 . . . . . 69 . N . 69 . HN parsed_5t1n 1
44 . . . . . . . . . . . . . . . . 7.7046 . . . . . 71 . N . 71 . HN parsed_5t1n 1
45 . . . . . . . . . . . . . . . . -17.9747 . . . . . 72 . N . 72 . HN parsed_5t1n 1
46 . . . . . . . . . . . . . . . . -4.0134 . . . . . 73 . N . 73 . HN parsed_5t1n 1
47 . . . . . . . . . . . . . . . . -7.3711 . . . . . 74 . N . 74 . HN parsed_5t1n 1
48 . . . . . . . . . . . . . . . . -20.2579 . . . . . 75 . N . 75 . HN parsed_5t1n 1
49 . . . . . . . . . . . . . . . . -18.4546 . . . . . 76 . N . 76 . HN parsed_5t1n 1
50 . . . . . . . . . . . . . . . . -9.2106 . . . . . 77 . N . 77 . HN parsed_5t1n 1
51 . . . . . . . . . . . . . . . . -12.5515 . . . . . 78 . N . 78 . HN parsed_5t1n 1
52 . . . . . . . . . . . . . . . . -23.7503 . . . . . 79 . N . 79 . HN parsed_5t1n 1
53 . . . . . . . . . . . . . . . . -13.8603 . . . . . 80 . N . 80 . HN parsed_5t1n 1
54 . . . . . . . . . . . . . . . . -6.1055 . . . . . 81 . N . 81 . HN parsed_5t1n 1
55 . . . . . . . . . . . . . . . . -15.4365 . . . . . 82 . N . 82 . HN parsed_5t1n 1
56 . . . . . . . . . . . . . . . . -19.5543 . . . . . 83 . N . 83 . HN parsed_5t1n 1
57 . . . . . . . . . . . . . . . . 1.9643 . . . . . 84 . N . 84 . HN parsed_5t1n 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 "# Restraints file 6: RDC_HN.tbl" 1 1 1 31 parsed_5t1n 1
stop_
save_
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