NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
502266 |
2l9b   |
17161 | cing | 2-parsed | STAR | dipolar coupling | 61 |
data_2l9b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l9b
_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_2l9b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l9b
_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 2l9b "Master copy" parsed_2l9b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l9b
_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 2l9b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l9b 1
1 2l9b.mr . . XPLOR/CNS 2 distance NOE ambi 4160 parsed_2l9b 1
1 2l9b.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 270 parsed_2l9b 1
1 2l9b.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 100 parsed_2l9b 1
1 2l9b.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_2l9b 1
1 2l9b.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l9b 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l9b
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . 628 . HN . 628 . N parsed_2l9b 1
2 . . . . . . . . . . . . . . . . 1.97 . . . . . 629 . HN . 629 . N parsed_2l9b 1
3 . . . . . . . . . . . . . . . . -3.24 . . . . . 631 . HN . 631 . N parsed_2l9b 1
4 . . . . . . . . . . . . . . . . 7.71 . . . . . 633 . HN . 633 . N parsed_2l9b 1
5 . . . . . . . . . . . . . . . . 6.3 . . . . . 634 . HN . 634 . N parsed_2l9b 1
6 . . . . . . . . . . . . . . . . -0.7 . . . . . 635 . HN . 635 . N parsed_2l9b 1
7 . . . . . . . . . . . . . . . . 1.4 . . . . . 636 . HN . 636 . N parsed_2l9b 1
8 . . . . . . . . . . . . . . . . 11.9 . . . . . 637 . HN . 637 . N parsed_2l9b 1
9 . . . . . . . . . . . . . . . . 0.0 . . . . . 638 . HN . 638 . N parsed_2l9b 1
10 . . . . . . . . . . . . . . . . 13.3 . . . . . 640 . HN . 640 . N parsed_2l9b 1
11 . . . . . . . . . . . . . . . . 1.4 . . . . . 641 . HN . 641 . N parsed_2l9b 1
12 . . . . . . . . . . . . . . . . -8.41 . . . . . 645 . HN . 645 . N parsed_2l9b 1
13 . . . . . . . . . . . . . . . . 5.31 . . . . . 647 . HN . 647 . N parsed_2l9b 1
14 . . . . . . . . . . . . . . . . 16.36 . . . . . 650 . HN . 650 . N parsed_2l9b 1
15 . . . . . . . . . . . . . . . . 19.3 . . . . . 651 . HN . 651 . N parsed_2l9b 1
16 . . . . . . . . . . . . . . . . -9.11 . . . . . 654 . HN . 654 . N parsed_2l9b 1
17 . . . . . . . . . . . . . . . . 3.5 . . . . . 655 . HN . 655 . N parsed_2l9b 1
18 . . . . . . . . . . . . . . . . 17.51 . . . . . 656 . HN . 656 . N parsed_2l9b 1
19 . . . . . . . . . . . . . . . . 10.5 . . . . . 658 . HN . 658 . N parsed_2l9b 1
20 . . . . . . . . . . . . . . . . 7.01 . . . . . 662 . HN . 662 . N parsed_2l9b 1
21 . . . . . . . . . . . . . . . . 20.31 . . . . . 663 . HN . 663 . N parsed_2l9b 1
22 . . . . . . . . . . . . . . . . -14.71 . . . . . 666 . HN . 666 . N parsed_2l9b 1
23 . . . . . . . . . . . . . . . . -13.3 . . . . . 667 . HN . 667 . N parsed_2l9b 1
24 . . . . . . . . . . . . . . . . -16.11 . . . . . 668 . HN . 668 . N parsed_2l9b 1
25 . . . . . . . . . . . . . . . . -2.8 . . . . . 150 . HN . 150 . N parsed_2l9b 1
26 . . . . . . . . . . . . . . . . 1.4 . . . . . 151 . HN . 151 . N parsed_2l9b 1
27 . . . . . . . . . . . . . . . . 18.09 . . . . . 155 . HN . 155 . N parsed_2l9b 1
28 . . . . . . . . . . . . . . . . -11.86 . . . . . 158 . HN . 158 . N parsed_2l9b 1
29 . . . . . . . . . . . . . . . . -8.41 . . . . . 159 . HN . 159 . N parsed_2l9b 1
30 . . . . . . . . . . . . . . . . 13.3 . . . . . 163 . HN . 163 . N parsed_2l9b 1
31 . . . . . . . . . . . . . . . . 3.19 . . . . . 166 . HN . 166 . N parsed_2l9b 1
32 . . . . . . . . . . . . . . . . 13.21 . . . . . 167 . HN . 167 . N parsed_2l9b 1
33 . . . . . . . . . . . . . . . . 7.28 . . . . . 168 . HN . 168 . N parsed_2l9b 1
34 . . . . . . . . . . . . . . . . 18.2 . . . . . 170 . HN . 170 . N parsed_2l9b 1
35 . . . . . . . . . . . . . . . . 5.6 . . . . . 171 . HN . 171 . N parsed_2l9b 1
36 . . . . . . . . . . . . . . . . -7.7 . . . . . 174 . HN . 174 . N parsed_2l9b 1
37 . . . . . . . . . . . . . . . . 4.2 . . . . . 175 . HN . 175 . N parsed_2l9b 1
38 . . . . . . . . . . . . . . . . -4.21 . . . . . 176 . HN . 176 . N parsed_2l9b 1
39 . . . . . . . . . . . . . . . . 3.5 . . . . . 178 . HN . 178 . N parsed_2l9b 1
40 . . . . . . . . . . . . . . . . 7 . . . . . 182 . HN . 182 . N parsed_2l9b 1
41 . . . . . . . . . . . . . . . . -2.1 . . . . . 184 . HN . 184 . N parsed_2l9b 1
42 . . . . . . . . . . . . . . . . 0.7 . . . . . 185 . HN . 185 . N parsed_2l9b 1
43 . . . . . . . . . . . . . . . . 6.3 . . . . . 187 . HN . 187 . N parsed_2l9b 1
44 . . . . . . . . . . . . . . . . -1.4 . . . . . 188 . HN . 188 . N parsed_2l9b 1
45 . . . . . . . . . . . . . . . . 4.2 . . . . . 190 . HN . 190 . N parsed_2l9b 1
46 . . . . . . . . . . . . . . . . 4.9 . . . . . 195 . HN . 195 . N parsed_2l9b 1
47 . . . . . . . . . . . . . . . . 2.1 . . . . . 197 . HN . 197 . N parsed_2l9b 1
48 . . . . . . . . . . . . . . . . 14 . . . . . 198 . HN . 198 . N parsed_2l9b 1
49 . . . . . . . . . . . . . . . . 1.4 . . . . . 199 . HN . 199 . N parsed_2l9b 1
50 . . . . . . . . . . . . . . . . 4.21 . . . . . 202 . HN . 202 . N parsed_2l9b 1
51 . . . . . . . . . . . . . . . . -3.87 . . . . . 206 . HN . 206 . N parsed_2l9b 1
52 . . . . . . . . . . . . . . . . -3.5 . . . . . 212 . HN . 212 . N parsed_2l9b 1
53 . . . . . . . . . . . . . . . . -11.21 . . . . . 215 . HN . 215 . N parsed_2l9b 1
54 . . . . . . . . . . . . . . . . 0.71 . . . . . 216 . HN . 216 . N parsed_2l9b 1
55 . . . . . . . . . . . . . . . . 5.6 . . . . . 217 . HN . 217 . N parsed_2l9b 1
56 . . . . . . . . . . . . . . . . 0.00 . . . . . 220 . HN . 220 . N parsed_2l9b 1
57 . . . . . . . . . . . . . . . . -2.1 . . . . . 221 . HN . 221 . N parsed_2l9b 1
58 . . . . . . . . . . . . . . . . 7.77 . . . . . 223 . HN . 223 . N parsed_2l9b 1
59 . . . . . . . . . . . . . . . . -11.9 . . . . . 224 . HN . 224 . N parsed_2l9b 1
60 . . . . . . . . . . . . . . . . -3.12 . . . . . 225 . HN . 225 . N parsed_2l9b 1
61 . . . . . . . . . . . . . . . . -5.61 . . . . . 228 . HN . 228 . N parsed_2l9b 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
;
!
! HN-N RDCs from Phage-aligned sample ~18mg/ml
!Da=11.0
!r=0.5
!
;
1 1 5 3 parsed_2l9b 1
2 ! 372 1 372 3 parsed_2l9b 1
stop_
save_
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