NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
597162 |
2n8a   |
25888 | cing | 2-parsed | STAR | dipolar coupling |
data_2n8a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8a
_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_2n8a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8a
_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 2n8a "Master copy" parsed_2n8a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8a
_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 2n8a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8a 1
1 2n8a.mr . . XPLOR/CNS 2 distance NOE simple 18 parsed_2n8a 1
1 2n8a.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2n8a 1
1 2n8a.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8a 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n8a
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 'assign ( resid 12 and name N and segid "F1 " ) ( resid 12 and name HN and segid "F1 " ) -8.353888247 1.000' 1 1 1 122 parsed_2n8a 1
2 'assign ( resid 13 and name N and segid "F1 " ) ( resid 13 and name HN and segid "F1 " ) -9.289946546 1.000' 2 1 2 122 parsed_2n8a 1
3 'assign ( resid 14 and name N and segid "F1 " ) ( resid 14 and name HN and segid "F1 " ) 5.929118638 1.000' 3 1 3 122 parsed_2n8a 1
4 'assign ( resid 17 and name N and segid "F1 " ) ( resid 17 and name HN and segid "F1 " ) -11.85135221 1.000' 4 1 4 122 parsed_2n8a 1
5 'assign ( resid 19 and name N and segid "F1 " ) ( resid 19 and name HN and segid "F1 " ) 2.235849481 1.000' 5 1 5 122 parsed_2n8a 1
6 'assign ( resid 20 and name N and segid "F1 " ) ( resid 20 and name HN and segid "F1 " ) 20.26620178 1.000' 6 1 6 122 parsed_2n8a 1
7 'assign ( resid 21 and name N and segid "F1 " ) ( resid 21 and name HN and segid "F1 " ) 5.191029631 1.000' 7 1 7 122 parsed_2n8a 1
8 'assign ( resid 22 and name N and segid "F1 " ) ( resid 22 and name HN and segid "F1 " ) -5.337774028 1.000' 8 1 8 122 parsed_2n8a 1
9 'assign ( resid 23 and name N and segid "F1 " ) ( resid 23 and name HN and segid "F1 " ) -18.96944643 1.000' 9 1 9 122 parsed_2n8a 1
10 'assign ( resid 25 and name N and segid "F1 " ) ( resid 25 and name HN and segid "F1 " ) 3.679945017 1.000' 10 1 10 122 parsed_2n8a 1
11 'assign ( resid 27 and name N and segid "F1 " ) ( resid 27 and name HN and segid "F1 " ) 3.979538587 1.000' 11 1 11 122 parsed_2n8a 1
12 'assign ( resid 28 and name N and segid "F1 " ) ( resid 28 and name HN and segid "F1 " ) 25.08064262 1.000' 12 1 12 122 parsed_2n8a 1
13 'assign ( resid 30 and name N and segid "F1 " ) ( resid 30 and name HN and segid "F1 " ) 3.207604378 1.000' 13 1 13 122 parsed_2n8a 1
14 'assign ( resid 31 and name N and segid "F1 " ) ( resid 31 and name HN and segid "F1 " ) 19.64303818 1.000' 14 1 14 122 parsed_2n8a 1
15 'assign ( resid 32 and name N and segid "F1 " ) ( resid 32 and name HN and segid "F1 " ) 16.32831156 1.000' 15 1 15 122 parsed_2n8a 1
16 'assign ( resid 33 and name N and segid "F1 " ) ( resid 33 and name HN and segid "F1 " ) 19.84209902 1.000' 16 1 16 122 parsed_2n8a 1
17 'assign ( resid 34 and name N and segid "F1 " ) ( resid 34 and name HN and segid "F1 " ) -15.57773874 1.000' 17 1 17 122 parsed_2n8a 1
18 'assign ( resid 35 and name N and segid "F1 " ) ( resid 35 and name HN and segid "F1 " ) -6.199299715 1.000' 18 1 18 122 parsed_2n8a 1
19 'assign ( resid 36 and name N and segid "F1 " ) ( resid 36 and name HN and segid "F1 " ) -3.090224649 1.000' 19 1 19 122 parsed_2n8a 1
20 'assign ( resid 51 and name N and segid "F1 " ) ( resid 51 and name HN and segid "F1 " ) 18.52783799 1.000' 20 1 20 121 parsed_2n8a 1
21 'assign ( resid 52 and name N and segid "F1 " ) ( resid 52 and name HN and segid "F1 " ) -1.753798965 1.000' 21 1 21 121 parsed_2n8a 1
22 'assign ( resid 55 and name N and segid "F1 " ) ( resid 55 and name HN and segid "F1 " ) -15.31698832 1.000' 22 1 22 121 parsed_2n8a 1
23 'assign ( resid 56 and name N and segid "F1 " ) ( resid 56 and name HN and segid "F1 " ) -22.40269947 1.000' 23 1 23 121 parsed_2n8a 1
24 'assign ( resid 58 and name N and segid "F1 " ) ( resid 58 and name HN and segid "F1 " ) -14.59421357 1.000' 24 1 24 121 parsed_2n8a 1
25 'assign ( resid 66 and name N and segid "F1 " ) ( resid 66 and name HN and segid "F1 " ) 22.98501445 1.000' 25 1 25 121 parsed_2n8a 1
26 'assign ( resid 68 and name N and segid "F1 " ) ( resid 68 and name HN and segid "F1 " ) 9.89558529 1.000' 26 1 26 121 parsed_2n8a 1
27 'assign ( resid 69 and name N and segid "F1 " ) ( resid 69 and name HN and segid "F1 " ) -5.491748529 1.000' 27 1 27 121 parsed_2n8a 1
28 'assign ( resid 71 and name N and segid "F1 " ) ( resid 71 and name HN and segid "F1 " ) 17.46703484 1.000' 28 1 28 121 parsed_2n8a 1
29 'assign ( resid 72 and name N and segid "F1 " ) ( resid 72 and name HN and segid "F1 " ) -3.783606344 1.000' 29 1 29 121 parsed_2n8a 1
30 'assign ( resid 73 and name N and segid "F1 " ) ( resid 73 and name HN and segid "F1 " ) 1.828488936 1.000' 30 1 30 121 parsed_2n8a 1
31 'assign ( resid 74 and name N and segid "F1 " ) ( resid 74 and name HN and segid "F1 " ) -5.107803076 1.000' 31 1 31 121 parsed_2n8a 1
32 'assign ( resid 75 and name N and segid "F1 " ) ( resid 75 and name HN and segid "F1 " ) 13.40635828 1.000' 32 1 32 121 parsed_2n8a 1
33 'assign ( resid 76 and name N and segid "F1 " ) ( resid 76 and name HN and segid "F1 " ) -10.37820508 1.000' 33 1 33 121 parsed_2n8a 1
34 'assign ( resid 77 and name N and segid "F1 " ) ( resid 77 and name HN and segid "F1 " ) -12.39228316 1.000' 34 1 34 121 parsed_2n8a 1
35 'assign ( resid 78 and name N and segid "F1 " ) ( resid 78 and name HN and segid "F1 " ) 2.254720286 1.000' 35 1 35 121 parsed_2n8a 1
36 'assign ( resid 80 and name N and segid "F1 " ) ( resid 80 and name HN and segid "F1 " ) -25.64339632 1.000' 36 1 36 121 parsed_2n8a 1
37 'assign ( resid 81 and name N and segid "F1 " ) ( resid 81 and name HN and segid "F1 " ) -25.77739912 1.000' 37 1 37 121 parsed_2n8a 1
38 'assign ( resid 83 and name N and segid "F1 " ) ( resid 83 and name HN and segid "F1 " ) -25.69342585 1.000' 38 1 38 121 parsed_2n8a 1
39 'assign ( resid 84 and name N and segid "F1 " ) ( resid 84 and name HN and segid "F1 " ) -19.64614137 1.000' 39 1 39 121 parsed_2n8a 1
40 'assign ( resid 86 and name N and segid "F1 " ) ( resid 86 and name HN and segid "F1 " ) -30.82226409 1.000' 40 1 40 121 parsed_2n8a 1
41 'assign ( resid 87 and name N and segid "F1 " ) ( resid 87 and name HN and segid "F1 " ) -28.60555064 1.000' 41 1 41 121 parsed_2n8a 1
42 'assign ( resid 89 and name N and segid "F1 " ) ( resid 89 and name HN and segid "F1 " ) -29.96442217 1.000' 42 1 42 121 parsed_2n8a 1
43 'assign ( resid 114 and name N and segid "F2 " ) ( resid 114 and name HN and segid "F2 " ) 19.84191794 1.000' 43 1 43 123 parsed_2n8a 1
44 'assign ( resid 115 and name N and segid "F2 " ) ( resid 115 and name HN and segid "F2 " ) 11.34659563 1.000' 44 1 44 123 parsed_2n8a 1
45 'assign ( resid 116 and name N and segid "F2 " ) ( resid 116 and name HN and segid "F2 " ) 10.04481353 1.000' 45 1 45 123 parsed_2n8a 1
46 'assign ( resid 117 and name N and segid "F2 " ) ( resid 117 and name HN and segid "F2 " ) 8.168326486 1.000' 46 1 46 123 parsed_2n8a 1
47 'assign ( resid 118 and name N and segid "F2 " ) ( resid 118 and name HN and segid "F2 " ) -9.103819979 1.000' 47 1 47 124 parsed_2n8a 1
48 'assign ( resid 119 and name N and segid "F2 " ) ( resid 119 and name HN and segid "F2 " ) -10.96662609 1.000' 48 1 48 124 parsed_2n8a 1
49 'assign ( resid 120 and name N and segid "F2 " ) ( resid 120 and name HN and segid "F2 " ) -3.237594884 1.000' 49 1 49 124 parsed_2n8a 1
50 'assign ( resid 124 and name N and segid "F2 " ) ( resid 124 and name HN and segid "F2 " ) -24.7776919 1.000' 50 1 50 123 parsed_2n8a 1
51 'assign ( resid 125 and name N and segid "F2 " ) ( resid 125 and name HN and segid "F2 " ) -15.67701374 1.000' 51 1 51 124 parsed_2n8a 1
52 'assign ( resid 126 and name N and segid "F2 " ) ( resid 126 and name HN and segid "F2 " ) 20.41802725 1.000' 52 1 52 123 parsed_2n8a 1
53 'assign ( resid 127 and name N and segid "F2 " ) ( resid 127 and name HN and segid "F2 " ) -2.506737648 1.000' 53 1 53 124 parsed_2n8a 1
54 'assign ( resid 129 and name N and segid "F2 " ) ( resid 129 and name HN and segid "F2 " ) 9.751379655 1.000' 54 1 54 123 parsed_2n8a 1
55 'assign ( resid 130 and name N and segid "F2 " ) ( resid 130 and name HN and segid "F2 " ) 12.85379996 1.000' 55 1 55 123 parsed_2n8a 1
56 'assign ( resid 131 and name N and segid "F2 " ) ( resid 131 and name HN and segid "F2 " ) 3.285278282 1.000' 56 1 56 123 parsed_2n8a 1
57 'assign ( resid 132 and name N and segid "F2 " ) ( resid 132 and name HN and segid "F2 " ) -6.915971783 1.000' 57 1 57 124 parsed_2n8a 1
58 'assign ( resid 133 and name N and segid "F2 " ) ( resid 133 and name HN and segid "F2 " ) 4.144572472 1.000' 58 1 58 123 parsed_2n8a 1
59 'assign ( resid 134 and name N and segid "F2 " ) ( resid 134 and name HN and segid "F2 " ) 0.464670981 1.000' 59 1 59 123 parsed_2n8a 1
60 'assign ( resid 135 and name N and segid "F2 " ) ( resid 135 and name HN and segid "F2 " ) -21.42905049 1.000' 60 1 60 124 parsed_2n8a 1
61 'assign ( resid 136 and name N and segid "F2 " ) ( resid 136 and name HN and segid "F2 " ) 18.05446691 1.000' 61 1 61 123 parsed_2n8a 1
62 'assign ( resid 138 and name N and segid "F2 " ) ( resid 138 and name HN and segid "F2 " ) 4.602803795 1.000' 62 1 62 123 parsed_2n8a 1
63 'assign ( resid 139 and name N and segid "F2 " ) ( resid 139 and name HN and segid "F2 " ) 13.0375573 1.000' 63 1 63 122 parsed_2n8a 1
64 'assign ( resid 140 and name N and segid "F2 " ) ( resid 140 and name HN and segid "F2 " ) 26.52916884 1.000' 64 1 64 123 parsed_2n8a 1
65 'assign ( resid 156 and name N and segid "F2 " ) ( resid 156 and name HN and segid "F2 " ) 15.61223851 1.000' 65 1 65 123 parsed_2n8a 1
66 'assign ( resid 157 and name N and segid "F2 " ) ( resid 157 and name HN and segid "F2 " ) 20.78457646 1.000' 66 1 66 123 parsed_2n8a 1
67 'assign ( resid 158 and name N and segid "F2 " ) ( resid 158 and name HN and segid "F2 " ) 20.33812476 1.000' 67 1 67 123 parsed_2n8a 1
68 'assign ( resid 159 and name N and segid "F2 " ) ( resid 159 and name HN and segid "F2 " ) 17.39446053 1.000' 68 1 68 123 parsed_2n8a 1
69 'assign ( resid 161 and name N and segid "F2 " ) ( resid 161 and name HN and segid "F2 " ) -15.03055609 1.000' 69 1 69 124 parsed_2n8a 1
70 'assign ( resid 162 and name N and segid "F2 " ) ( resid 162 and name HN and segid "F2 " ) -8.098984944 1.000' 70 1 70 124 parsed_2n8a 1
71 'assign ( resid 163 and name N and segid "F2 " ) ( resid 163 and name HN and segid "F2 " ) -13.39195369 1.000' 71 1 71 124 parsed_2n8a 1
72 'assign ( resid 164 and name N and segid "F2 " ) ( resid 164 and name HN and segid "F2 " ) -9.438942894 1.000' 72 1 72 124 parsed_2n8a 1
73 'assign ( resid 166 and name N and segid "F2 " ) ( resid 166 and name HN and segid "F2 " ) 2.035786233 1.000' 73 1 73 123 parsed_2n8a 1
74 'assign ( resid 167 and name N and segid "F2 " ) ( resid 167 and name HN and segid "F2 " ) -24.30686599 1.000' 74 1 74 124 parsed_2n8a 1
75 'assign ( resid 168 and name N and segid "F2 " ) ( resid 168 and name HN and segid "F2 " ) -12.29141114 1.000' 75 1 75 124 parsed_2n8a 1
76 'assign ( resid 187 and name N and segid "F2 " ) ( resid 187 and name HN and segid "F2 " ) -10.00769281 1.000' 76 1 76 124 parsed_2n8a 1
77 'assign ( resid 188 and name N and segid "F2 " ) ( resid 188 and name HN and segid "F2 " ) 24.50686013 1.000' 77 1 77 123 parsed_2n8a 1
78 'assign ( resid 190 and name N and segid "F2 " ) ( resid 190 and name HN and segid "F2 " ) -7.840881022 1.000' 78 1 78 124 parsed_2n8a 1
79 'assign ( resid 191 and name N and segid "F2 " ) ( resid 191 and name HN and segid "F2 " ) 0.573567582 1.000' 79 1 79 123 parsed_2n8a 1
80 'assign ( resid 192 and name N and segid "F2 " ) ( resid 192 and name HN and segid "F2 " ) -0.713015853 1.000' 80 1 80 124 parsed_2n8a 1
81 'assign ( resid 194 and name N and segid "F2 " ) ( resid 194 and name HN and segid "F2 " ) -3.372716438 1.000' 81 1 81 124 parsed_2n8a 1
82 'assign ( resid 195 and name N and segid "F2 " ) ( resid 195 and name HN and segid "F2 " ) -4.492628358 1.000' 82 1 82 124 parsed_2n8a 1
83 'assign ( resid 196 and name N and segid "F2 " ) ( resid 196 and name HN and segid "F2 " ) -6.112441266 1.000' 83 1 83 124 parsed_2n8a 1
84 'assign ( resid 197 and name N and segid "F2 " ) ( resid 197 and name HN and segid "F2 " ) -8.193733756 1.000' 84 1 84 124 parsed_2n8a 1
85 'assign ( resid 198 and name N and segid "F2 " ) ( resid 198 and name HN and segid "F2 " ) -3.327123233 1.000' 85 1 85 124 parsed_2n8a 1
stop_
save_
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