NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
50703 |
2k2o   |
15718 | cing | 2-parsed | STAR | dipolar coupling | 87 |
data_2k2o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k2o
_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_2k2o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k2o
_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 2k2o "Master copy" parsed_2k2o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k2o
_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 2k2o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k2o 1
1 2k2o.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 3 distance NOE simple 538 parsed_2k2o 1
1 2k2o.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 5 distance NOE simple 793 parsed_2k2o 1
1 2k2o.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 7 distance NOE simple 689 parsed_2k2o 1
1 2k2o.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 9 distance NOE simple 273 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 109 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 48 parsed_2k2o 1
1 2k2o.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2k2o 1
1 2k2o.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k2o 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_12
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k2o
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 12
_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 . . . . . . . . . . . . . . . . -4.863 . . . . . 18 . N . 18 . H parsed_2k2o 1
2 . . . . . . . . . . . . . . . . -7.911 . . . . . 19 . N . 19 . H parsed_2k2o 1
3 . . . . . . . . . . . . . . . . -15.703 . . . . . 20 . N . 20 . H parsed_2k2o 1
4 . . . . . . . . . . . . . . . . -15.856 . . . . . 21 . N . 21 . H parsed_2k2o 1
5 . . . . . . . . . . . . . . . . -15.552 . . . . . 22 . N . 22 . H parsed_2k2o 1
6 . . . . . . . . . . . . . . . . -15.603 . . . . . 23 . N . 23 . H parsed_2k2o 1
7 . . . . . . . . . . . . . . . . 18.439 . . . . . 24 . N . 24 . H parsed_2k2o 1
8 . . . . . . . . . . . . . . . . 17.375 . . . . . 25 . N . 25 . H parsed_2k2o 1
9 . . . . . . . . . . . . . . . . 10.181 . . . . . 26 . N . 26 . H parsed_2k2o 1
10 . . . . . . . . . . . . . . . . 1.115 . . . . . 27 . N . 27 . H parsed_2k2o 1
11 . . . . . . . . . . . . . . . . -1.165 . . . . . 28 . N . 28 . H parsed_2k2o 1
12 . . . . . . . . . . . . . . . . -12.208 . . . . . 29 . N . 29 . H parsed_2k2o 1
13 . . . . . . . . . . . . . . . . -14.691 . . . . . 30 . N . 30 . H parsed_2k2o 1
14 . . . . . . . . . . . . . . . . -10.268 . . . . . 31 . N . 31 . H parsed_2k2o 1
15 . . . . . . . . . . . . . . . . -6.383 . . . . . 32 . N . 32 . H parsed_2k2o 1
16 . . . . . . . . . . . . . . . . -3.242 . . . . . 34 . N . 34 . H parsed_2k2o 1
17 . . . . . . . . . . . . . . . . 10.081 . . . . . 35 . N . 35 . H parsed_2k2o 1
18 . . . . . . . . . . . . . . . . -3.35 . . . . . 36 . N . 36 . H parsed_2k2o 1
19 . . . . . . . . . . . . . . . . -14.615 . . . . . 38 . N . 38 . H parsed_2k2o 1
20 . . . . . . . . . . . . . . . . -3.14 . . . . . 40 . N . 40 . H parsed_2k2o 1
21 . . . . . . . . . . . . . . . . -14.68 . . . . . 41 . N . 41 . H parsed_2k2o 1
22 . . . . . . . . . . . . . . . . -13.12 . . . . . 42 . N . 42 . H parsed_2k2o 1
23 . . . . . . . . . . . . . . . . 0.963 . . . . . 44 . N . 44 . H parsed_2k2o 1
24 . . . . . . . . . . . . . . . . 10.283 . . . . . 45 . N . 45 . H parsed_2k2o 1
25 . . . . . . . . . . . . . . . . -3.04 . . . . . 46 . N . 46 . H parsed_2k2o 1
26 . . . . . . . . . . . . . . . . 2.787 . . . . . 47 . N . 47 . H parsed_2k2o 1
27 . . . . . . . . . . . . . . . . -5.623 . . . . . 48 . N . 48 . H parsed_2k2o 1
28 . . . . . . . . . . . . . . . . -6.399 . . . . . 49 . N . 49 . H parsed_2k2o 1
29 . . . . . . . . . . . . . . . . -2.887 . . . . . 50 . N . 50 . H parsed_2k2o 1
30 . . . . . . . . . . . . . . . . 27.809 . . . . . 52 . N . 52 . H parsed_2k2o 1
31 . . . . . . . . . . . . . . . . -3.445 . . . . . 54 . N . 54 . H parsed_2k2o 1
32 . . . . . . . . . . . . . . . . 0.507 . . . . . 56 . N . 56 . H parsed_2k2o 1
33 . . . . . . . . . . . . . . . . 5.927 . . . . . 57 . N . 57 . H parsed_2k2o 1
34 . . . . . . . . . . . . . . . . 23.91 . . . . . 58 . N . 58 . H parsed_2k2o 1
35 . . . . . . . . . . . . . . . . -3.09 . . . . . 59 . N . 59 . H parsed_2k2o 1
36 . . . . . . . . . . . . . . . . -14.944 . . . . . 63 . N . 63 . H parsed_2k2o 1
37 . . . . . . . . . . . . . . . . -5.218 . . . . . 64 . N . 64 . H parsed_2k2o 1
38 . . . . . . . . . . . . . . . . -10.688 . . . . . 65 . N . 65 . H parsed_2k2o 1
39 . . . . . . . . . . . . . . . . -13.828 . . . . . 66 . N . 66 . H parsed_2k2o 1
40 . . . . . . . . . . . . . . . . -23.048 . . . . . 67 . N . 67 . H parsed_2k2o 1
41 . . . . . . . . . . . . . . . . -2.127 . . . . . 68 . N . 68 . H parsed_2k2o 1
42 . . . . . . . . . . . . . . . . 6.079 . . . . . 69 . N . 69 . H parsed_2k2o 1
43 . . . . . . . . . . . . . . . . -6.941 . . . . . 70 . N . 70 . H parsed_2k2o 1
44 . . . . . . . . . . . . . . . . -5.015 . . . . . 71 . N . 71 . H parsed_2k2o 1
45 . . . . . . . . . . . . . . . . 15.349 . . . . . 72 . N . 72 . H parsed_2k2o 1
46 . . . . . . . . . . . . . . . . 8.46 . . . . . 73 . N . 73 . H parsed_2k2o 1
47 . . . . . . . . . . . . . . . . 0.253 . . . . . 74 . N . 74 . H parsed_2k2o 1
48 . . . . . . . . . . . . . . . . -16.252 . . . . . 75 . N . 75 . H parsed_2k2o 1
49 . . . . . . . . . . . . . . . . 5.572 . . . . . 76 . N . 76 . H parsed_2k2o 1
50 . . . . . . . . . . . . . . . . 18.844 . . . . . 77 . N . 77 . H parsed_2k2o 1
51 . . . . . . . . . . . . . . . . 18.966 . . . . . 78 . N . 78 . H parsed_2k2o 1
52 . . . . . . . . . . . . . . . . 2.229 . . . . . 80 . N . 80 . H parsed_2k2o 1
53 . . . . . . . . . . . . . . . . 10.435 . . . . . 81 . N . 81 . H parsed_2k2o 1
54 . . . . . . . . . . . . . . . . -13.07 . . . . . 82 . N . 82 . H parsed_2k2o 1
55 . . . . . . . . . . . . . . . . 1.418 . . . . . 83 . N . 83 . H parsed_2k2o 1
56 . . . . . . . . . . . . . . . . -4.255 . . . . . 84 . N . 84 . H parsed_2k2o 1
57 . . . . . . . . . . . . . . . . 5.168 . . . . . 85 . N . 85 . H parsed_2k2o 1
58 . . . . . . . . . . . . . . . . -11.853 . . . . . 87 . N . 87 . H parsed_2k2o 1
59 . . . . . . . . . . . . . . . . 3.394 . . . . . 88 . N . 88 . H parsed_2k2o 1
60 . . . . . . . . . . . . . . . . 13.018 . . . . . 89 . N . 89 . H parsed_2k2o 1
61 . . . . . . . . . . . . . . . . 15.856 . . . . . 90 . N . 90 . H parsed_2k2o 1
62 . . . . . . . . . . . . . . . . 21.42 . . . . . 94 . N . 94 . H parsed_2k2o 1
63 . . . . . . . . . . . . . . . . -12.867 . . . . . 95 . N . 95 . H parsed_2k2o 1
64 . . . . . . . . . . . . . . . . 0.76 . . . . . 97 . N . 97 . H parsed_2k2o 1
65 . . . . . . . . . . . . . . . . 5.927 . . . . . 98 . N . 98 . H parsed_2k2o 1
66 . . . . . . . . . . . . . . . . 6.94 . . . . . 99 . N . 99 . H parsed_2k2o 1
67 . . . . . . . . . . . . . . . . -3.748 . . . . . 100 . N . 100 . H parsed_2k2o 1
68 . . . . . . . . . . . . . . . . -12.512 . . . . . 101 . N . 101 . H parsed_2k2o 1
69 . . . . . . . . . . . . . . . . -12.31 . . . . . 102 . N . 102 . H parsed_2k2o 1
70 . . . . . . . . . . . . . . . . -15.957 . . . . . 103 . N . 103 . H parsed_2k2o 1
71 . . . . . . . . . . . . . . . . 23.809 . . . . . 104 . N . 104 . H parsed_2k2o 1
72 . . . . . . . . . . . . . . . . 9.235 . . . . . 105 . N . 105 . H parsed_2k2o 1
73 . . . . . . . . . . . . . . . . -4.052 . . . . . 106 . N . 106 . H parsed_2k2o 1
74 . . . . . . . . . . . . . . . . 17.477 . . . . . 107 . N . 107 . H parsed_2k2o 1
75 . . . . . . . . . . . . . . . . 3.343 . . . . . 108 . N . 108 . H parsed_2k2o 1
76 . . . . . . . . . . . . . . . . -15.551 . . . . . 109 . N . 109 . H parsed_2k2o 1
77 . . . . . . . . . . . . . . . . -8.561 . . . . . 110 . N . 110 . H parsed_2k2o 1
78 . . . . . . . . . . . . . . . . -7.599 . . . . . 111 . N . 111 . H parsed_2k2o 1
79 . . . . . . . . . . . . . . . . -1.469 . . . . . 112 . N . 112 . H parsed_2k2o 1
80 . . . . . . . . . . . . . . . . 4.913 . . . . . 113 . N . 113 . H parsed_2k2o 1
81 . . . . . . . . . . . . . . . . 18.287 . . . . . 115 . N . 115 . H parsed_2k2o 1
82 . . . . . . . . . . . . . . . . -14.538 . . . . . 116 . N . 116 . H parsed_2k2o 1
83 . . . . . . . . . . . . . . . . 16.615 . . . . . 117 . N . 117 . H parsed_2k2o 1
84 . . . . . . . . . . . . . . . . -19.958 . . . . . 118 . N . 118 . H parsed_2k2o 1
85 . . . . . . . . . . . . . . . . -15.856 . . . . . 119 . N . 119 . H parsed_2k2o 1
86 . . . . . . . . . . . . . . . . -12.917 . . . . . 120 . N . 120 . H parsed_2k2o 1
87 . . . . . . . . . . . . . . . . -3.9 . . . . . 121 . N . 121 . H parsed_2k2o 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
;
ssign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 79 and name N )
( resid 79 and name H ) -5.927 1.0
;
359 1 364 76 parsed_2k2o 1
2
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 86 and name N )
( resid 86 and name H ) -4.407 1.0
;
408 1 413 77 parsed_2k2o 1
3
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 114 and name N )
( resid 114 and name H ) 6.788 1.0
;
576 1 581 77 parsed_2k2o 1
stop_
save_
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