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 |
|
|
516927 |
2k3b   |
16843 | cing | 2-parsed | STAR | dipolar coupling | 16 |
data_2k3b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k3b
_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_2k3b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k3b
_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 2k3b "Master copy" parsed_2k3b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k3b
_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 2k3b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 25 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 1 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 2 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 16 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k3b 1
1 2k3b.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k3b 1
1 2k3b.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k3b 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k3b
_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 . . . . . . . . . . . . . . . . 7.903682 . . . . . 5 . CA . 5 . HA parsed_2k3b 1
2 . . . . . . . . . . . . . . . . -8.198385 . . . . . 8 . CA . 8 . HA parsed_2k3b 1
3 . . . . . . . . . . . . . . . . -11.500669 . . . . . 10 . CA . 10 . HA parsed_2k3b 1
4 . . . . . . . . . . . . . . . . 12.732769 . . . . . 12 . CA . 12 . HA parsed_2k3b 1
5 . . . . . . . . . . . . . . . . 3.871504 . . . . . 14 . CA . 14 . HA parsed_2k3b 1
6 . . . . . . . . . . . . . . . . 3.911875 . . . . . 15 . CA . 15 . HA parsed_2k3b 1
7 . . . . . . . . . . . . . . . . 12.132060 . . . . . 17 . CA . 17 . HA parsed_2k3b 1
8 . . . . . . . . . . . . . . . . 9.034049 . . . . . 20 . CA . 20 . HA parsed_2k3b 1
9 . . . . . . . . . . . . . . . . 4.351910 . . . . . 30 . CA . 30 . HA parsed_2k3b 1
10 . . . . . . . . . . . . . . . . -0.08 . . . . . 33 . CA . 33 . HA parsed_2k3b 1
11 . . . . . . . . . . . . . . . . -9.035663 . . . . . 34 . CA . 34 . HA parsed_2k3b 1
12 . . . . . . . . . . . . . . . . -4.053170 . . . . . 36 . CA . 36 . HA parsed_2k3b 1
13 . . . . . . . . . . . . . . . . 4.183970 . . . . . 37 . CA . 37 . HA parsed_2k3b 1
14 . . . . . . . . . . . . . . . . 2.845293 . . . . . 50 . CA . 50 . HA parsed_2k3b 1
15 . . . . . . . . . . . . . . . . 12.327452 . . . . . 53 . CA . 53 . HA parsed_2k3b 1
16 . . . . . . . . . . . . . . . . -20.472548 . . . . . 54 . CA . 54 . HA parsed_2k3b 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
;
Removed 13 CA-HA
Added D33 CA-HA
;
1 1 2 18 parsed_2k3b 1
2
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 13 and name CA )
( resid 13 and name HA ) 2.445628 3.460536
;
31 1 36 55 parsed_2k3b 1
stop_
save_
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