NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52450 |
2kid   |
16270 | cing | 2-parsed | STAR | dipolar coupling | 61 |
data_2kid_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kid
_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_2kid 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kid
_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 2kid "Master copy" parsed_2kid
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kid
_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 2kid.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 2 distance NOE simple 42 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 3 distance "general distance" simple 3 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 96 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 260 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 66 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 10 distance NOE ambi 0 parsed_2kid 1
1 2kid.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kid 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kid
_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 . . . . . . . . . . . . . . . . 1.328 . . . . . 4 . N . 3 . C parsed_2kid 1
2 . . . . . . . . . . . . . . . . 1.162 . . . . . 6 . N . 5 . C parsed_2kid 1
3 . . . . . . . . . . . . . . . . 6.059 . . . . . 11 . N . 10 . C parsed_2kid 1
4 . . . . . . . . . . . . . . . . -9.462 . . . . . 12 . N . 11 . C parsed_2kid 1
5 . . . . . . . . . . . . . . . . -4.565 . . . . . 13 . N . 12 . C parsed_2kid 1
6 . . . . . . . . . . . . . . . . 5.727 . . . . . 16 . N . 15 . C parsed_2kid 1
7 . . . . . . . . . . . . . . . . 6.474 . . . . . 17 . N . 16 . C parsed_2kid 1
8 . . . . . . . . . . . . . . . . -10.375 . . . . . 18 . N . 17 . C parsed_2kid 1
9 . . . . . . . . . . . . . . . . 5.395 . . . . . 19 . N . 18 . C parsed_2kid 1
10 . . . . . . . . . . . . . . . . 2.905 . . . . . 22 . N . 21 . C parsed_2kid 1
11 . . . . . . . . . . . . . . . . 7.304 . . . . . 23 . N . 22 . C parsed_2kid 1
12 . . . . . . . . . . . . . . . . 15.355 . . . . . 25 . N . 24 . C parsed_2kid 1
13 . . . . . . . . . . . . . . . . -2.49 . . . . . 26 . N . 25 . C parsed_2kid 1
14 . . . . . . . . . . . . . . . . 26.726 . . . . . 27 . N . 26 . C parsed_2kid 1
15 . . . . . . . . . . . . . . . . 8.466 . . . . . 32 . N . 31 . C parsed_2kid 1
16 . . . . . . . . . . . . . . . . -16.019 . . . . . 34 . N . 33 . C parsed_2kid 1
17 . . . . . . . . . . . . . . . . 8.798 . . . . . 35 . N . 34 . C parsed_2kid 1
18 . . . . . . . . . . . . . . . . -6.557 . . . . . 40 . N . 39 . C parsed_2kid 1
19 . . . . . . . . . . . . . . . . -7.719 . . . . . 41 . N . 40 . C parsed_2kid 1
20 . . . . . . . . . . . . . . . . 20.335 . . . . . 50 . N . 49 . C parsed_2kid 1
21 . . . . . . . . . . . . . . . . -0.249 . . . . . 51 . N . 50 . C parsed_2kid 1
22 . . . . . . . . . . . . . . . . -20.501 . . . . . 54 . N . 53 . C parsed_2kid 1
23 . . . . . . . . . . . . . . . . 21.165 . . . . . 57 . N . 56 . C parsed_2kid 1
24 . . . . . . . . . . . . . . . . -12.118 . . . . . 61 . N . 60 . C parsed_2kid 1
25 . . . . . . . . . . . . . . . . -2.822 . . . . . 66 . N . 65 . C parsed_2kid 1
26 . . . . . . . . . . . . . . . . -14.027 . . . . . 74 . N . 73 . C parsed_2kid 1
27 . . . . . . . . . . . . . . . . 28.718 . . . . . 75 . N . 74 . C parsed_2kid 1
28 . . . . . . . . . . . . . . . . -1.909 . . . . . 77 . N . 76 . C parsed_2kid 1
29 . . . . . . . . . . . . . . . . -4.15 . . . . . 79 . N . 78 . C parsed_2kid 1
30 . . . . . . . . . . . . . . . . 3.486 . . . . . 80 . N . 79 . C parsed_2kid 1
31 . . . . . . . . . . . . . . . . -8.632 . . . . . 81 . N . 80 . C parsed_2kid 1
32 . . . . . . . . . . . . . . . . -0.415 . . . . . 85 . N . 84 . C parsed_2kid 1
33 . . . . . . . . . . . . . . . . -1.079 . . . . . 86 . N . 85 . C parsed_2kid 1
34 . . . . . . . . . . . . . . . . 5.893 . . . . . 87 . N . 86 . C parsed_2kid 1
35 . . . . . . . . . . . . . . . . -4.814 . . . . . 89 . N . 88 . C parsed_2kid 1
36 . . . . . . . . . . . . . . . . -7.304 . . . . . 91 . N . 90 . C parsed_2kid 1
37 . . . . . . . . . . . . . . . . 3.237 . . . . . 92 . N . 91 . C parsed_2kid 1
38 . . . . . . . . . . . . . . . . -1.162 . . . . . 93 . N . 92 . C parsed_2kid 1
39 . . . . . . . . . . . . . . . . -10.126 . . . . . 97 . N . 96 . C parsed_2kid 1
40 . . . . . . . . . . . . . . . . 29.133 . . . . . 98 . N . 97 . C parsed_2kid 1
41 . . . . . . . . . . . . . . . . 4.897 . . . . . 99 . N . 98 . C parsed_2kid 1
42 . . . . . . . . . . . . . . . . -27.805 . . . . . 100 . N . 99 . C parsed_2kid 1
43 . . . . . . . . . . . . . . . . 4.648 . . . . . 101 . N . 100 . C parsed_2kid 1
44 . . . . . . . . . . . . . . . . -0.332 . . . . . 104 . N . 103 . C parsed_2kid 1
45 . . . . . . . . . . . . . . . . 9.462 . . . . . 107 . N . 106 . C parsed_2kid 1
46 . . . . . . . . . . . . . . . . 2.241 . . . . . 108 . N . 107 . C parsed_2kid 1
47 . . . . . . . . . . . . . . . . 2.822 . . . . . 111 . N . 110 . C parsed_2kid 1
48 . . . . . . . . . . . . . . . . 19.007 . . . . . 115 . N . 114 . C parsed_2kid 1
49 . . . . . . . . . . . . . . . . -11.952 . . . . . 116 . N . 115 . C parsed_2kid 1
50 . . . . . . . . . . . . . . . . 2.656 . . . . . 117 . N . 116 . C parsed_2kid 1
51 . . . . . . . . . . . . . . . . -14.774 . . . . . 119 . N . 118 . C parsed_2kid 1
52 . . . . . . . . . . . . . . . . 2.075 . . . . . 120 . N . 119 . C parsed_2kid 1
53 . . . . . . . . . . . . . . . . 5.81 . . . . . 123 . N . 122 . C parsed_2kid 1
54 . . . . . . . . . . . . . . . . 17.015 . . . . . 130 . N . 129 . C parsed_2kid 1
55 . . . . . . . . . . . . . . . . -16.932 . . . . . 131 . N . 130 . C parsed_2kid 1
56 . . . . . . . . . . . . . . . . -3.984 . . . . . 133 . N . 132 . C parsed_2kid 1
57 . . . . . . . . . . . . . . . . 21.165 . . . . . 134 . N . 133 . C parsed_2kid 1
58 . . . . . . . . . . . . . . . . 4.316 . . . . . 143 . N . 142 . C parsed_2kid 1
59 . . . . . . . . . . . . . . . . -1.66 . . . . . 146 . N . 145 . C parsed_2kid 1
60 . . . . . . . . . . . . . . . . 12.948 . . . . . 147 . N . 146 . C parsed_2kid 1
61 . . . . . . . . . . . . . . . . 0.249 . . . . . 148 . N . 147 . C parsed_2kid 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
;
Removed RTC
assign (resid 500 and name OO )
(resid 500 and name Z )
(resid 500 and name X )
(resid 500 and name Y )
(resid 38 and name N )
(resid 37 and name C ) -8.466 0.2
RTC
assign (resid 500 and name OO )
(resid 500 and name Z )
(resid 500 and name X )
(resid 500 and name Y )
! (resid 39 and name N )
(resid 38 and name C ) 3.818 0.2
;
103 1 116 36 parsed_2kid 1
2
;
RTC
assign (resid 500 and name OO )
(resid 500 and name Z )
(resid 500 and name X )
(resid 500 and name Y )
(resid 56 and name N )
(resid 55 and name C ) -7.885 0.2
;
147 1 153 37 parsed_2kid 1
3
;
assign (resid 500 and name OO )
(resid 500 and name Z )
(resid 500 and name X )
(resid 500 and name Y )
(resid 144 and name N )
(resid 143 and name C ) -34.196 0.2
;
370 1 375 42 parsed_2kid 1
stop_
save_
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