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 |
|
|
568899 |
2md7   |
19472 | cing | 2-parsed | STAR | dipolar coupling | 30 |
data_2md7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2md7
_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_2md7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2md7
_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 2md7 "Master copy" parsed_2md7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2md7
_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 2md7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 30 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2md7 1
1 2md7.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2md7 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2md7
_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 . . . . . . . . . . . . . . . . 1.00 59.00 109.00 . . . 53 . CA . 53 . C parsed_2md7 1
2 . . . . . . . . . . . . . . . . 2.37161 . . . . . 10 . HN . 10 . N parsed_2md7 1
3 . . . . . . . . . . . . . . . . -3.34458 . . . . . 11 . HN . 11 . N parsed_2md7 1
4 . . . . . . . . . . . . . . . . -4.86485 . . . . . 12 . HN . 12 . N parsed_2md7 1
5 . . . . . . . . . . . . . . . . -1.09459 . . . . . 13 . HN . 13 . N parsed_2md7 1
6 . . . . . . . . . . . . . . . . -4.74323 . . . . . 14 . HN . 14 . N parsed_2md7 1
7 . . . . . . . . . . . . . . . . -4.19594 . . . . . 15 . HN . 15 . N parsed_2md7 1
8 . . . . . . . . . . . . . . . . -2.24999 . . . . . 16 . HN . 16 . N parsed_2md7 1
9 . . . . . . . . . . . . . . . . -5.29053 . . . . . 17 . HN . 17 . N parsed_2md7 1
10 . . . . . . . . . . . . . . . . 0.97297 . . . . . 18 . HN . 18 . N parsed_2md7 1
11 . . . . . . . . . . . . . . . . -5.65539 . . . . . 19 . HN . 19 . N parsed_2md7 1
12 . . . . . . . . . . . . . . . . -4.25675 . . . . . 21 . HN . 21 . N parsed_2md7 1
13 . . . . . . . . . . . . . . . . 8.51349 . . . . . 22 . HN . 22 . N parsed_2md7 1
14 . . . . . . . . . . . . . . . . 2.79729 . . . . . 23 . HN . 23 . N parsed_2md7 1
15 . . . . . . . . . . . . . . . . -2.18919 . . . . . 24 . HN . 24 . N parsed_2md7 1
16 . . . . . . . . . . . . . . . . 2.12838 . . . . . 25 . HN . 25 . N parsed_2md7 1
17 . . . . . . . . . . . . . . . . -2.61486 . . . . . 26 . HN . 26 . N parsed_2md7 1
18 . . . . . . . . . . . . . . . . -3.16215 . . . . . 27 . HN . 27 . N parsed_2md7 1
19 . . . . . . . . . . . . . . . . 5.22971 . . . . . 28 . HN . 28 . N parsed_2md7 1
20 . . . . . . . . . . . . . . . . 0.30405 . . . . . 29 . HN . 29 . N parsed_2md7 1
21 . . . . . . . . . . . . . . . . -3.9527 . . . . . 30 . HN . 30 . N parsed_2md7 1
22 . . . . . . . . . . . . . . . . -5.95945 . . . . . 31 . HN . 31 . N parsed_2md7 1
23 . . . . . . . . . . . . . . . . -4.62161 . . . . . 32 . HN . 32 . N parsed_2md7 1
24 . . . . . . . . . . . . . . . . -5.53377 . . . . . 33 . HN . 33 . N parsed_2md7 1
25 . . . . . . . . . . . . . . . . 5.1689 . . . . . 48 . HN . 48 . N parsed_2md7 1
26 . . . . . . . . . . . . . . . . 11.91889 . . . . . 49 . HN . 49 . N parsed_2md7 1
27 . . . . . . . . . . . . . . . . 2.06757 . . . . . 50 . HN . 50 . N parsed_2md7 1
28 . . . . . . . . . . . . . . . . 6.08107 . . . . . 52 . HN . 52 . N parsed_2md7 1
29 . . . . . . . . . . . . . . . . 2.8581 . . . . . 53 . HN . 53 . N parsed_2md7 1
30 . . . . . . . . . . . . . . . . -1.88513 . . . . . 54 . HN . 54 . N parsed_2md7 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 "spec=13C_...P_FI, no=4, id=453, vol=1.815325e+08" 181 173 181 223 parsed_2md7 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
;
2assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 9 and name HN )
( resid 9 and name N ) -1.82432 0.5
;
2 83 7 45 parsed_2md7 1
2
;
assign (segid " B" and resid 30 and name HB2) (segid " B" and resid 30 and name HD1) 3.184 1.267 1.267 weight 1.000 ! spec=13C_...P_FI, no=4, id=453, vol=1.815325e+08
or (segid " B" and resid 30 and name HB2) (segid " B" and resid 30 and name HD2)
;
181 47 182 94 parsed_2md7 1
stop_
save_
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