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 |
|
|
49469 |
2jtp   |
15417 | cing | 2-parsed | STAR | dipolar coupling | 28 |
data_2jtp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jtp
_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_2jtp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jtp
_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 2jtp "Master copy" parsed_2jtp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jtp
_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 2jtp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 2 distance NOE simple 599 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 3 distance "general distance" simple 36 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 72 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 219 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2jtp 1
1 2jtp.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 28 parsed_2jtp 1
1 2jtp.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jtp 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2jtp
_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 . . . . . . . . . . . . . . . . 38.044 36.8440 39.2440 . . . 1 . C8 . 1 . H8 parsed_2jtp 1
2 . . . . . . . . . . . . . . . . 29.857 28.6570 31.0570 . . . 2 . C8 . 2 . H8 parsed_2jtp 1
3 . . . . . . . . . . . . . . . . 27.435 26.2350 28.6350 . . . 3 . C8 . 3 . H8 parsed_2jtp 1
4 . . . . . . . . . . . . . . . . 38.629 37.4290 39.8290 . . . 4 . C6 . 4 . H6 parsed_2jtp 1
5 . . . . . . . . . . . . . . . . 44.078 42.8780 45.2780 . . . 5 . C8 . 5 . H8 parsed_2jtp 1
6 . . . . . . . . . . . . . . . . 51.965 50.7650 53.1650 . . . 6 . C8 . 6 . H8 parsed_2jtp 1
7 . . . . . . . . . . . . . . . . 44.586 43.3860 45.7860 . . . 9 . C8 . 9 . H8 parsed_2jtp 1
8 . . . . . . . . . . . . . . . . 47.666 46.4660 48.8660 . . . 10 . C2 . 10 . H2 parsed_2jtp 1
9 . . . . . . . . . . . . . . . . 44.359 43.1590 45.5590 . . . 10 . C8 . 10 . H8 parsed_2jtp 1
10 . . . . . . . . . . . . . . . . 45.159 43.9590 46.3590 . . . 11 . C8 . 11 . H8 parsed_2jtp 1
11 . . . . . . . . . . . . . . . . 46.406 45.2060 47.6060 . . . 13 . C2 . 13 . H2 parsed_2jtp 1
12 . . . . . . . . . . . . . . . . 47.661 46.4610 48.8610 . . . 13 . C8 . 13 . H8 parsed_2jtp 1
13 . . . . . . . . . . . . . . . . 42.328 41.1280 43.5280 . . . 14 . C2 . 14 . H2 parsed_2jtp 1
14 . . . . . . . . . . . . . . . . 44.443 43.2430 45.6430 . . . 22 . C8 . 22 . H8 parsed_2jtp 1
15 . . . . . . . . . . . . . . . . 44.481 43.2810 45.6810 . . . 23 . C2 . 23 . H2 parsed_2jtp 1
16 . . . . . . . . . . . . . . . . 44.443 43.2430 45.6430 . . . 23 . C8 . 23 . H8 parsed_2jtp 1
17 . . . . . . . . . . . . . . . . 47.730 46.5300 48.9300 . . . 24 . C6 . 24 . H6 parsed_2jtp 1
18 . . . . . . . . . . . . . . . . 41.784 40.5840 42.9840 . . . 25 . C6 . 25 . H6 parsed_2jtp 1
19 . . . . . . . . . . . . . . . . 41.936 40.7360 43.1360 . . . 26 . C6 . 26 . H6 parsed_2jtp 1
20 . . . . . . . . . . . . . . . . 51.353 50.1530 52.5530 . . . 31 . C2 . 31 . H2 parsed_2jtp 1
21 . . . . . . . . . . . . . . . . 36.205 35.0050 37.4050 . . . 31 . C8 . 31 . H8 parsed_2jtp 1
22 . . . . . . . . . . . . . . . . 22.466 21.2660 23.6660 . . . 32 . C6 . 32 . H6 parsed_2jtp 1
23 . . . . . . . . . . . . . . . . 31.420 30.2200 32.6200 . . . 33 . C6 . 33 . H6 parsed_2jtp 1
24 . . . . . . . . . . . . . . . . 29.388 28.1880 30.5880 . . . 34 . C6 . 34 . H6 parsed_2jtp 1
25 . . . . . . . . . . . . . . . . 2.472 1.2720 3.6720 . . . 2 . C1' . 2 . H1' parsed_2jtp 1
26 . . . . . . . . . . . . . . . . -23.987 -25.1870 -22.7870 . . . 6 . C1' . 6 . H1' parsed_2jtp 1
27 . . . . . . . . . . . . . . . . 2.417 1.2170 3.6170 . . . 12 . C1' . 12 . H1' parsed_2jtp 1
28 . . . . . . . . . . . . . . . . -46.605 -47.8050 -45.4050 . . . 27 . C1' . 27 . H1' parsed_2jtp 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
;
------------------------------------------------------------------------------
RDC Restraints
------------------------------------------------------------------------------
;
1 1 3 80 parsed_2jtp 1
stop_
save_
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