NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
37589 |
1pun   |
cing | 2-parsed | STAR | dipolar coupling | 53 |
data_1pun_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pun
_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_1pun 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pun
_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 1pun "Master copy" parsed_1pun
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pun
_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 1pun.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 2 distance NOE ambi 1721 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 3 distance "general distance" simple 18 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 4 distance NOE simple 12 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 5 distance "general distance" simple 10 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 82 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 186 parsed_1pun 1
1 1pun.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 53 parsed_1pun 1
1 1pun.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pun 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1pun
_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 . . . . . . . . . . . . . . . . -0.3600 . . . . . 4 . N . 4 . HN parsed_1pun 1
2 . . . . . . . . . . . . . . . . 2.1900 . . . . . 5 . N . 5 . HN parsed_1pun 1
3 . . . . . . . . . . . . . . . . 3.1600 . . . . . 6 . N . 6 . HN parsed_1pun 1
4 . . . . . . . . . . . . . . . . 6.99 . . . . . 7 . N . 7 . HN parsed_1pun 1
5 . . . . . . . . . . . . . . . . 21.97 . . . . . 8 . N . 8 . HN parsed_1pun 1
6 . . . . . . . . . . . . . . . . 16.23 . . . . . 9 . N . 9 . HN parsed_1pun 1
7 . . . . . . . . . . . . . . . . 12.68 . . . . . 10 . N . 10 . HN parsed_1pun 1
8 . . . . . . . . . . . . . . . . 11.43 . . . . . 11 . N . 11 . HN parsed_1pun 1
9 . . . . . . . . . . . . . . . . 10.06 . . . . . 12 . N . 12 . HN parsed_1pun 1
10 . . . . . . . . . . . . . . . . 9.13 . . . . . 13 . N . 13 . HN parsed_1pun 1
11 . . . . . . . . . . . . . . . . 3.58 . . . . . 14 . N . 14 . HN parsed_1pun 1
12 . . . . . . . . . . . . . . . . 3.93 . . . . . 15 . N . 15 . HN parsed_1pun 1
13 . . . . . . . . . . . . . . . . 7.04 . . . . . 16 . N . 16 . HN parsed_1pun 1
14 . . . . . . . . . . . . . . . . 2.86 . . . . . 17 . N . 17 . HN parsed_1pun 1
15 . . . . . . . . . . . . . . . . 8.56 . . . . . 18 . N . 18 . HN parsed_1pun 1
16 . . . . . . . . . . . . . . . . -4.11 . . . . . 47 . N . 47 . HN parsed_1pun 1
17 . . . . . . . . . . . . . . . . -9.05 . . . . . 48 . N . 48 . HN parsed_1pun 1
18 . . . . . . . . . . . . . . . . 4.19 . . . . . 49 . N . 49 . HN parsed_1pun 1
19 . . . . . . . . . . . . . . . . 15.8 . . . . . 50 . N . 50 . HN parsed_1pun 1
20 . . . . . . . . . . . . . . . . 4.26 . . . . . 51 . N . 51 . HN parsed_1pun 1
21 . . . . . . . . . . . . . . . . 2.85 . . . . . 52 . N . 52 . HN parsed_1pun 1
22 . . . . . . . . . . . . . . . . 8.04 . . . . . 53 . N . 53 . HN parsed_1pun 1
23 . . . . . . . . . . . . . . . . 9.72 . . . . . 54 . N . 54 . HN parsed_1pun 1
24 . . . . . . . . . . . . . . . . 3.67 . . . . . 55 . N . 55 . HN parsed_1pun 1
25 . . . . . . . . . . . . . . . . 4.32 . . . . . 56 . N . 56 . HN parsed_1pun 1
26 . . . . . . . . . . . . . . . . 7.47 . . . . . 65 . N . 65 . HN parsed_1pun 1
27 . . . . . . . . . . . . . . . . 4.24 . . . . . 66 . N . 66 . HN parsed_1pun 1
28 . . . . . . . . . . . . . . . . 11.42 . . . . . 67 . N . 67 . HN parsed_1pun 1
29 . . . . . . . . . . . . . . . . 6.78 . . . . . 68 . N . 68 . HN parsed_1pun 1
30 . . . . . . . . . . . . . . . . 6.26 . . . . . 69 . N . 69 . HN parsed_1pun 1
31 . . . . . . . . . . . . . . . . 6.73 . . . . . 70 . N . 70 . HN parsed_1pun 1
32 . . . . . . . . . . . . . . . . 6.3 . . . . . 71 . N . 71 . HN parsed_1pun 1
33 . . . . . . . . . . . . . . . . 5.62 . . . . . 72 . N . 72 . HN parsed_1pun 1
34 . . . . . . . . . . . . . . . . 4.29 . . . . . 74 . N . 74 . HN parsed_1pun 1
35 . . . . . . . . . . . . . . . . 9.82 . . . . . 79 . N . 79 . HN parsed_1pun 1
36 . . . . . . . . . . . . . . . . 7.41 . . . . . 80 . N . 80 . HN parsed_1pun 1
37 . . . . . . . . . . . . . . . . 2.93 . . . . . 81 . N . 81 . HN parsed_1pun 1
38 . . . . . . . . . . . . . . . . 7.42 . . . . . 82 . N . 82 . HN parsed_1pun 1
39 . . . . . . . . . . . . . . . . -3.93 . . . . . 83 . N . 83 . HN parsed_1pun 1
40 . . . . . . . . . . . . . . . . 8.03 . . . . . 84 . N . 84 . HN parsed_1pun 1
41 . . . . . . . . . . . . . . . . 10.68 . . . . . 85 . N . 85 . HN parsed_1pun 1
42 . . . . . . . . . . . . . . . . 12.95 . . . . . 86 . N . 86 . HN parsed_1pun 1
43 . . . . . . . . . . . . . . . . 7.39 . . . . . 87 . N . 87 . HN parsed_1pun 1
44 . . . . . . . . . . . . . . . . 6.54 . . . . . 88 . N . 88 . HN parsed_1pun 1
45 . . . . . . . . . . . . . . . . 12.85 . . . . . 119 . N . 119 . HN parsed_1pun 1
46 . . . . . . . . . . . . . . . . -10.64 . . . . . 120 . N . 120 . HN parsed_1pun 1
47 . . . . . . . . . . . . . . . . -0.19 . . . . . 122 . N . 122 . HN parsed_1pun 1
48 . . . . . . . . . . . . . . . . -11.87 . . . . . 123 . N . 123 . HN parsed_1pun 1
49 . . . . . . . . . . . . . . . . -9.84 . . . . . 124 . N . 124 . HN parsed_1pun 1
50 . . . . . . . . . . . . . . . . -11.52 . . . . . 125 . N . 125 . HN parsed_1pun 1
51 . . . . . . . . . . . . . . . . -7.12 . . . . . 126 . N . 126 . HN parsed_1pun 1
52 . . . . . . . . . . . . . . . . -9.05 . . . . . 127 . N . 127 . HN parsed_1pun 1
53 . . . . . . . . . . . . . . . . -0.3 . . . . . 128 . N . 128 . HN parsed_1pun 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 "! RDCs used for refinement." 2 1 2 29 parsed_1pun 1
stop_
save_
Contact the webmaster for help, if required. Friday, April 26, 2024 10:24:27 AM GMT (wattos1)