NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
600535 |
2naa   |
25933 | cing | 2-parsed | STAR | dipolar coupling | 23 |
data_2naa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2naa
_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_2naa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2naa
_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 2naa "Master copy" parsed_2naa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2naa
_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 2naa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 2 distance NOE ambi 1332 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 23 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2naa 1
1 2naa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2naa 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2naa
_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 . . . . . . . . . . . . . . . . 1.58 . . . . . 18 . HN . 18 . N parsed_2naa 1
2 . . . . . . . . . . . . . . . . -3.41 . . . . . 20 . HN . 20 . N parsed_2naa 1
3 . . . . . . . . . . . . . . . . -1.76 . . . . . 21 . HN . 21 . N parsed_2naa 1
4 . . . . . . . . . . . . . . . . -3.28 . . . . . 26 . HN . 26 . N parsed_2naa 1
5 . . . . . . . . . . . . . . . . -2.49 . . . . . 28 . HN . 28 . N parsed_2naa 1
6 . . . . . . . . . . . . . . . . -3.41 . . . . . 29 . HN . 29 . N parsed_2naa 1
7 . . . . . . . . . . . . . . . . -1.22 . . . . . 32 . HN . 32 . N parsed_2naa 1
8 . . . . . . . . . . . . . . . . 2.62 . . . . . 34 . HN . 34 . N parsed_2naa 1
9 . . . . . . . . . . . . . . . . -0.12 . . . . . 51 . HN . 51 . N parsed_2naa 1
10 . . . . . . . . . . . . . . . . -2.31 . . . . . 68 . HN . 68 . N parsed_2naa 1
11 . . . . . . . . . . . . . . . . 4.5 . . . . . 70 . HN . 70 . N parsed_2naa 1
12 . . . . . . . . . . . . . . . . -2.86 . . . . . 72 . HN . 72 . N parsed_2naa 1
13 . . . . . . . . . . . . . . . . -4.14 . . . . . 73 . HN . 73 . N parsed_2naa 1
14 . . . . . . . . . . . . . . . . -2.55 . . . . . 74 . HN . 74 . N parsed_2naa 1
15 . . . . . . . . . . . . . . . . -1.34 . . . . . 79 . HN . 79 . N parsed_2naa 1
16 . . . . . . . . . . . . . . . . -0.91 . . . . . 80 . HN . 80 . N parsed_2naa 1
17 . . . . . . . . . . . . . . . . -3.16 . . . . . 81 . HN . 81 . N parsed_2naa 1
18 . . . . . . . . . . . . . . . . -3.04 . . . . . 82 . HN . 82 . N parsed_2naa 1
19 . . . . . . . . . . . . . . . . 0.61 . . . . . 86 . HN . 86 . N parsed_2naa 1
20 . . . . . . . . . . . . . . . . -0.55 . . . . . 87 . HN . 87 . N parsed_2naa 1
21 . . . . . . . . . . . . . . . . -0.37 . . . . . 88 . HN . 88 . N parsed_2naa 1
22 . . . . . . . . . . . . . . . . -3.95 . . . . . 89 . HN . 89 . N parsed_2naa 1
23 . . . . . . . . . . . . . . . . -2.62 . . . . . 90 . HN . 90 . N parsed_2naa 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 "using 1.5 times the talos error!" 138 44 138 79 parsed_2naa 1
stop_
save_
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