NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
43688 |
2b8a   |
cing | 2-parsed | STAR | dipolar coupling | 65 |
data_2b8a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2b8a
_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_2b8a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2b8a
_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 2b8a "Master copy" parsed_2b8a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2b8a
_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 2b8a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 79 parsed_2b8a 1
1 2b8a.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 46 parsed_2b8a 1
1 2b8a.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 7 distance NOE simple 1948 parsed_2b8a 1
1 2b8a.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 65 parsed_2b8a 1
1 2b8a.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 13 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2b8a 1
1 2b8a.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2b8a 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2b8a
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . 5.4000 . . . . . 9 . N . 9 . HN parsed_2b8a 1
2 . . . . . . . . . . . . . . . . 9.4800 . . . . . 10 . N . 10 . HN parsed_2b8a 1
3 . . . . . . . . . . . . . . . . -7.6000 . . . . . 11 . N . 11 . HN parsed_2b8a 1
4 . . . . . . . . . . . . . . . . -13.2000 . . . . . 12 . N . 12 . HN parsed_2b8a 1
5 . . . . . . . . . . . . . . . . 15.1300 . . . . . 13 . N . 13 . HN parsed_2b8a 1
6 . . . . . . . . . . . . . . . . 9.0800 . . . . . 15 . N . 15 . HN parsed_2b8a 1
7 . . . . . . . . . . . . . . . . -6.6600 . . . . . 16 . N . 16 . HN parsed_2b8a 1
8 . . . . . . . . . . . . . . . . -10.6900 . . . . . 17 . N . 17 . HN parsed_2b8a 1
9 . . . . . . . . . . . . . . . . -9.3700 . . . . . 18 . N . 18 . HN parsed_2b8a 1
10 . . . . . . . . . . . . . . . . -13.4100 . . . . . 19 . N . 19 . HN parsed_2b8a 1
11 . . . . . . . . . . . . . . . . -9.1700 . . . . . 20 . N . 20 . HN parsed_2b8a 1
12 . . . . . . . . . . . . . . . . -4.2300 . . . . . 25 . N . 25 . HN parsed_2b8a 1
13 . . . . . . . . . . . . . . . . -5.0300 . . . . . 26 . N . 26 . HN parsed_2b8a 1
14 . . . . . . . . . . . . . . . . -5.5000 . . . . . 28 . N . 28 . HN parsed_2b8a 1
15 . . . . . . . . . . . . . . . . 3.9300 . . . . . 29 . N . 29 . HN parsed_2b8a 1
16 . . . . . . . . . . . . . . . . 9.3900 . . . . . 30 . N . 30 . HN parsed_2b8a 1
17 . . . . . . . . . . . . . . . . 16.0900 . . . . . 31 . N . 31 . HN parsed_2b8a 1
18 . . . . . . . . . . . . . . . . 0.9600 . . . . . 32 . N . 32 . HN parsed_2b8a 1
19 . . . . . . . . . . . . . . . . 1.4200 . . . . . 33 . N . 33 . HN parsed_2b8a 1
20 . . . . . . . . . . . . . . . . -5.7000 . . . . . 44 . N . 44 . HN parsed_2b8a 1
21 . . . . . . . . . . . . . . . . -2.3100 . . . . . 45 . N . 45 . HN parsed_2b8a 1
22 . . . . . . . . . . . . . . . . 17.9500 . . . . . 47 . N . 47 . HN parsed_2b8a 1
23 . . . . . . . . . . . . . . . . 5.0500 . . . . . 48 . N . 48 . HN parsed_2b8a 1
24 . . . . . . . . . . . . . . . . 1.1200 . . . . . 49 . N . 49 . HN parsed_2b8a 1
25 . . . . . . . . . . . . . . . . -7.9700 . . . . . 52 . N . 52 . HN parsed_2b8a 1
26 . . . . . . . . . . . . . . . . -3.0200 . . . . . 53 . N . 53 . HN parsed_2b8a 1
27 . . . . . . . . . . . . . . . . -7.5100 . . . . . 54 . N . 54 . HN parsed_2b8a 1
28 . . . . . . . . . . . . . . . . 4.4500 . . . . . 55 . N . 55 . HN parsed_2b8a 1
29 . . . . . . . . . . . . . . . . 13.6100 . . . . . 56 . N . 56 . HN parsed_2b8a 1
30 . . . . . . . . . . . . . . . . 14.3800 . . . . . 57 . N . 57 . HN parsed_2b8a 1
31 . . . . . . . . . . . . . . . . 14.3600 . . . . . 58 . N . 58 . HN parsed_2b8a 1
32 . . . . . . . . . . . . . . . . 5.2400 . . . . . 59 . N . 59 . HN parsed_2b8a 1
33 . . . . . . . . . . . . . . . . 0.6100 . . . . . 61 . N . 61 . HN parsed_2b8a 1
34 . . . . . . . . . . . . . . . . -9.4100 . . . . . 62 . N . 62 . HN parsed_2b8a 1
35 . . . . . . . . . . . . . . . . -11.5400 . . . . . 63 . N . 63 . HN parsed_2b8a 1
36 . . . . . . . . . . . . . . . . -9.6200 . . . . . 64 . N . 64 . HN parsed_2b8a 1
37 . . . . . . . . . . . . . . . . -7.7100 . . . . . 66 . N . 66 . HN parsed_2b8a 1
38 . . . . . . . . . . . . . . . . -9.4300 . . . . . 67 . N . 67 . HN parsed_2b8a 1
39 . . . . . . . . . . . . . . . . -9.2600 . . . . . 68 . N . 68 . HN parsed_2b8a 1
40 . . . . . . . . . . . . . . . . -2.9200 . . . . . 69 . N . 69 . HN parsed_2b8a 1
41 . . . . . . . . . . . . . . . . 1.6100 . . . . . 70 . N . 70 . HN parsed_2b8a 1
42 . . . . . . . . . . . . . . . . -7.7200 . . . . . 71 . N . 71 . HN parsed_2b8a 1
43 . . . . . . . . . . . . . . . . -8.7700 . . . . . 72 . N . 72 . HN parsed_2b8a 1
44 . . . . . . . . . . . . . . . . 0.9100 . . . . . 73 . N . 73 . HN parsed_2b8a 1
45 . . . . . . . . . . . . . . . . -0.8100 . . . . . 74 . N . 74 . HN parsed_2b8a 1
46 . . . . . . . . . . . . . . . . 3.8300 . . . . . 75 . N . 75 . HN parsed_2b8a 1
47 . . . . . . . . . . . . . . . . 4.2400 . . . . . 77 . N . 77 . HN parsed_2b8a 1
48 . . . . . . . . . . . . . . . . -4.3900 . . . . . 79 . N . 79 . HN parsed_2b8a 1
49 . . . . . . . . . . . . . . . . -8.3100 . . . . . 81 . N . 81 . HN parsed_2b8a 1
50 . . . . . . . . . . . . . . . . 5.3500 . . . . . 82 . N . 82 . HN parsed_2b8a 1
51 . . . . . . . . . . . . . . . . 2.6200 . . . . . 83 . N . 83 . HN parsed_2b8a 1
52 . . . . . . . . . . . . . . . . 11.3400 . . . . . 84 . N . 84 . HN parsed_2b8a 1
53 . . . . . . . . . . . . . . . . 11.9500 . . . . . 85 . N . 85 . HN parsed_2b8a 1
54 . . . . . . . . . . . . . . . . 1.0600 . . . . . 86 . N . 86 . HN parsed_2b8a 1
55 . . . . . . . . . . . . . . . . 5.8600 . . . . . 87 . N . 87 . HN parsed_2b8a 1
56 . . . . . . . . . . . . . . . . 14.2700 . . . . . 88 . N . 88 . HN parsed_2b8a 1
57 . . . . . . . . . . . . . . . . 8.2700 . . . . . 89 . N . 89 . HN parsed_2b8a 1
58 . . . . . . . . . . . . . . . . -3.5700 . . . . . 90 . N . 90 . HN parsed_2b8a 1
59 . . . . . . . . . . . . . . . . 13.5100 . . . . . 91 . N . 91 . HN parsed_2b8a 1
60 . . . . . . . . . . . . . . . . 11.5000 . . . . . 92 . N . 92 . HN parsed_2b8a 1
61 . . . . . . . . . . . . . . . . 5.1000 . . . . . 94 . N . 94 . HN parsed_2b8a 1
62 . . . . . . . . . . . . . . . . -7.1600 . . . . . 95 . N . 95 . HN parsed_2b8a 1
63 . . . . . . . . . . . . . . . . 3.3300 . . . . . 96 . N . 96 . HN parsed_2b8a 1
64 . . . . . . . . . . . . . . . . -14.8200 . . . . . 100 . N . 100 . HN parsed_2b8a 1
65 . . . . . . . . . . . . . . . . 5.00 . . . . . 26 . NE1 . 26 . HE1 parsed_2b8a 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 "!Trp side-chain" 385 1 385 17 parsed_2b8a 1
stop_
save_
Contact the webmaster for help, if required. Friday, April 26, 2024 11:15:22 PM GMT (wattos1)