NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
39158 |
1sp7   |
6200 | cing | 2-parsed | STAR | dipolar coupling | 37 |
data_1sp7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sp7
_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_1sp7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sp7
_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 1sp7 "Master copy" parsed_1sp7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sp7
_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 1sp7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sp7 1
1 1sp7.mr . . XPLOR/CNS 2 distance NOE simple 501 parsed_1sp7 1
1 1sp7.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_1sp7 1
1 1sp7.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 37 parsed_1sp7 1
1 1sp7.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sp7 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1sp7
_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 . . . . . . . . . . . . . . . . -1.0349 . . . . . 2 . CA . 2 . HA parsed_1sp7 1
2 . . . . . . . . . . . . . . . . 3.9015 . . . . . 3 . CA . 3 . HA parsed_1sp7 1
3 . . . . . . . . . . . . . . . . 0.905 . . . . . 4 . CA . 4 . HA parsed_1sp7 1
4 . . . . . . . . . . . . . . . . -4.9469 . . . . . 5 . CA . 5 . HA parsed_1sp7 1
5 . . . . . . . . . . . . . . . . -5.0450 . . . . . 7 . CA . 7 . HA parsed_1sp7 1
6 . . . . . . . . . . . . . . . . 10.1442 . . . . . 8 . CA . 8 . HA parsed_1sp7 1
7 . . . . . . . . . . . . . . . . 9.5501 . . . . . 9 . CA . 9 . HA parsed_1sp7 1
8 . . . . . . . . . . . . . . . . 0.5268 . . . . . 10 . CA . 10 . HA parsed_1sp7 1
9 . . . . . . . . . . . . . . . . 0.7632 . . . . . 11 . CA . 11 . HA parsed_1sp7 1
10 . . . . . . . . . . . . . . . . 2.1756 . . . . . 12 . CA . 12 . HA parsed_1sp7 1
11 . . . . . . . . . . . . . . . . -3.3016 . . . . . 13 . CA . 13 . HA parsed_1sp7 1
12 . . . . . . . . . . . . . . . . -4.6867 . . . . . 15 . CA . 15 . HA parsed_1sp7 1
13 . . . . . . . . . . . . . . . . -7.17 . . . . . 16 . CA . 16 . HA parsed_1sp7 1
14 . . . . . . . . . . . . . . . . 12.7343 . . . . . 17 . CA . 17 . HA parsed_1sp7 1
15 . . . . . . . . . . . . . . . . -0.4064 . . . . . 18 . CA . 18 . HA parsed_1sp7 1
16 . . . . . . . . . . . . . . . . -7.9850 . . . . . 19 . CA . 19 . HA parsed_1sp7 1
17 . . . . . . . . . . . . . . . . -9.3355 . . . . . 20 . CA . 20 . HA parsed_1sp7 1
18 . . . . . . . . . . . . . . . . -4.7976 . . . . . 21 . CA . 21 . HA parsed_1sp7 1
19 . . . . . . . . . . . . . . . . 1.9600 . . . . . 5 . CB . 5 . HB parsed_1sp7 1
20 . . . . . . . . . . . . . . . . 2.2935 . . . . . 7 . CB . 7 . HB parsed_1sp7 1
21 . . . . . . . . . . . . . . . . 3.8629 . . . . . 11 . CB . 11 . HB parsed_1sp7 1
22 . . . . . . . . . . . . . . . . 4.24 . . . . . 13 . CB . 13 . HB parsed_1sp7 1
23 . . . . . . . . . . . . . . . . -2.96 . . . . . 8 . CA . 8 . CB parsed_1sp7 1
24 . . . . . . . . . . . . . . . . 1.54651 . . . . . 13 . CB . 13 . CG2 parsed_1sp7 1
25 . . . . . . . . . . . . . . . . -0.615 . . . . . 16 . N . 16 . HN parsed_1sp7 1
26 . . . . . . . . . . . . . . . . 8.452 . . . . . 5 . N . 5 . HN parsed_1sp7 1
27 . . . . . . . . . . . . . . . . 5.245 . . . . . 6 . N . 6 . HN parsed_1sp7 1
28 . . . . . . . . . . . . . . . . 7.602 . . . . . 7 . N . 7 . HN parsed_1sp7 1
29 . . . . . . . . . . . . . . . . 9.632 . . . . . 8 . N . 8 . HN parsed_1sp7 1
30 . . . . . . . . . . . . . . . . 6.023 . . . . . 9 . N . 9 . HN parsed_1sp7 1
31 . . . . . . . . . . . . . . . . 5.317 . . . . . 10 . N . 10 . HN parsed_1sp7 1
32 . . . . . . . . . . . . . . . . 3.195 . . . . . 11 . N . 11 . HN parsed_1sp7 1
33 . . . . . . . . . . . . . . . . -3.287 . . . . . 14 . N . 14 . HN parsed_1sp7 1
34 . . . . . . . . . . . . . . . . 4.952 . . . . . 17 . N . 17 . HN parsed_1sp7 1
35 . . . . . . . . . . . . . . . . 3.963 . . . . . 18 . N . 18 . HN parsed_1sp7 1
36 . . . . . . . . . . . . . . . . -4.434 . . . . . 19 . N . 19 . HN parsed_1sp7 1
37 . . . . . . . . . . . . . . . . -4.876 . . . . . 21 . N . 21 . HN parsed_1sp7 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
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name CA )
( resid 21 and name CB ) -3.1849 0.5000
;
165 1 170 54 parsed_1sp7 1
stop_
save_
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