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 |
|
|
533397 |
2km8   |
16425 | cing | 2-parsed | STAR | dipolar coupling | 18 |
data_2km8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2km8
_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_2km8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2km8
_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 2km8 "Master copy" parsed_2km8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2km8
_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 2km8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 2 distance NOE simple 4662 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 132 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 203 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 96 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 55 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 32 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 18 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_2km8 1
1 2km8.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2km8 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2km8
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 11.19 . . . . . 25 . HA . 25 . CA parsed_2km8 1
2 . . . . . . . . . . . . . . . . -1.19 . . . . . 27 . HA . 27 . CA parsed_2km8 1
3 . . . . . . . . . . . . . . . . 14.71 . . . . . 37 . HA . 37 . CA parsed_2km8 1
4 . . . . . . . . . . . . . . . . 6.515 . . . . . 38 . HA . 38 . CA parsed_2km8 1
5 . . . . . . . . . . . . . . . . 21.285 . . . . . 43 . HA . 43 . CA parsed_2km8 1
6 . . . . . . . . . . . . . . . . 16.44 . . . . . 44 . HA . 44 . CA parsed_2km8 1
7 . . . . . . . . . . . . . . . . 17.315 . . . . . 54 . HA . 54 . CA parsed_2km8 1
8 . . . . . . . . . . . . . . . . 27.235 . . . . . 61 . HA . 61 . CA parsed_2km8 1
9 . . . . . . . . . . . . . . . . 8.665 . . . . . 62 . HA . 62 . CA parsed_2km8 1
10 . . . . . . . . . . . . . . . . 0.005 . . . . . 63 . HA . 63 . CA parsed_2km8 1
11 . . . . . . . . . . . . . . . . 5.185 . . . . . 69 . HA . 69 . CA parsed_2km8 1
12 . . . . . . . . . . . . . . . . 0.645 . . . . . 70 . CB . 70 . CA parsed_2km8 1
13 . . . . . . . . . . . . . . . . 5.38 . . . . . 71 . HA . 71 . CA parsed_2km8 1
14 . . . . . . . . . . . . . . . . 1.525 . . . . . 81 . CB . 81 . CA parsed_2km8 1
15 . . . . . . . . . . . . . . . . -0.78 . . . . . 83 . HA . 83 . CA parsed_2km8 1
16 . . . . . . . . . . . . . . . . 3.565 . . . . . 83 . CB . 83 . CA parsed_2km8 1
17 . . . . . . . . . . . . . . . . 28.545 . . . . . 84 . HA . 84 . CA parsed_2km8 1
18 . . . . . . . . . . . . . . . . 8.155 . . . . . 105 . HA . 105 . CA parsed_2km8 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 "! S25CA-HA" 6 44 6 56 parsed_2km8 1
2 "! V27CA-HA" 12 44 12 56 parsed_2km8 1
3 "! Q37CA-HA" 18 44 18 56 parsed_2km8 1
4 "! T38CA-HA" 24 44 24 56 parsed_2km8 1
5
;
! L43CA-HA
! 8.7 3.0 !! L43CD1-QQD
;
30 45 31 27 parsed_2km8 1
6 "! D44CA-HA" 37 44 37 56 parsed_2km8 1
7 "! N54CA-HA" 43 45 43 57 parsed_2km8 1
8 "! P61CA-HA" 49 45 49 57 parsed_2km8 1
9 "! Q62CA-HA" 55 44 55 56 parsed_2km8 1
10 "! T63CA-HA" 61 44 61 56 parsed_2km8 1
11 "! Y69CA-HA" 67 44 67 56 parsed_2km8 1
12 "! A70CB-QB" 73 44 73 56 parsed_2km8 1
13 "! F71CA-HA" 79 43 79 55 parsed_2km8 1
14 "! A81CB-QB" 85 44 85 56 parsed_2km8 1
15 "! A83CA-HA" 91 44 91 56 parsed_2km8 1
16 "! A83CB-QB" 97 44 97 56 parsed_2km8 1
17 "! V84CA-HA" 103 45 103 57 parsed_2km8 1
18 "! S105CA-HA" 109 44 109 57 parsed_2km8 1
stop_
save_
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