NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
616590 |
5jwj   |
30087 | cing | 2-parsed | STAR | dipolar coupling | 108 |
data_5jwj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5jwj
_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_5jwj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5jwj
_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 5jwj "Master copy" parsed_5jwj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5jwj
_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 5jwj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5jwj 1
1 5jwj.mr . . XPLOR/CNS 2 distance NOE simple 2713 parsed_5jwj 1
1 5jwj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 251 parsed_5jwj 1
1 5jwj.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 108 parsed_5jwj 1
1 5jwj.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5jwj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5jwj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 5.99111 . . . . . 162 . N . 162 . HN parsed_5jwj 1
2 . . . . . . . . . . . . . . . . -14.241 . . . . . 24 . N . 24 . HN parsed_5jwj 1
3 . . . . . . . . . . . . . . . . 9.22955 . . . . . 46 . N . 46 . HN parsed_5jwj 1
4 . . . . . . . . . . . . . . . . 12.1361 . . . . . 47 . N . 47 . HN parsed_5jwj 1
5 . . . . . . . . . . . . . . . . 8.96238 . . . . . 68 . N . 68 . HN parsed_5jwj 1
6 . . . . . . . . . . . . . . . . 10.282 . . . . . 70 . N . 70 . HN parsed_5jwj 1
7 . . . . . . . . . . . . . . . . -14.8968 . . . . . 81 . N . 81 . HN parsed_5jwj 1
8 . . . . . . . . . . . . . . . . 12.3385 . . . . . 96 . N . 96 . HN parsed_5jwj 1
9 . . . . . . . . . . . . . . . . 10.8083 . . . . . 145 . N . 145 . HN parsed_5jwj 1
10 . . . . . . . . . . . . . . . . 0.259075 . . . . . 29 . N . 29 . HN parsed_5jwj 1
11 . . . . . . . . . . . . . . . . -7.90989 . . . . . 39 . N . 39 . HN parsed_5jwj 1
12 . . . . . . . . . . . . . . . . 8.25802 . . . . . 49 . N . 49 . HN parsed_5jwj 1
13 . . . . . . . . . . . . . . . . -5.65917 . . . . . 92 . N . 92 . HN parsed_5jwj 1
14 . . . . . . . . . . . . . . . . 8.33089 . . . . . 116 . N . 116 . HN parsed_5jwj 1
15 . . . . . . . . . . . . . . . . 7.31887 . . . . . 118 . N . 118 . HN parsed_5jwj 1
16 . . . . . . . . . . . . . . . . 6.49307 . . . . . 129 . N . 129 . HN parsed_5jwj 1
17 . . . . . . . . . . . . . . . . 7.03551 . . . . . 131 . N . 131 . HN parsed_5jwj 1
18 . . . . . . . . . . . . . . . . 2.37216 . . . . . 139 . N . 139 . HN parsed_5jwj 1
19 . . . . . . . . . . . . . . . . -14.322 . . . . . 14 . N . 14 . HN parsed_5jwj 1
20 . . . . . . . . . . . . . . . . 10.1039 . . . . . 144 . N . 144 . HN parsed_5jwj 1
21 . . . . . . . . . . . . . . . . -15.1154 . . . . . 159 . N . 159 . HN parsed_5jwj 1
22 . . . . . . . . . . . . . . . . 6.07207 . . . . . 59 . N . 59 . HN parsed_5jwj 1
23 . . . . . . . . . . . . . . . . 2.77696 . . . . . 63 . N . 63 . HN parsed_5jwj 1
24 . . . . . . . . . . . . . . . . -0.267171 . . . . . 95 . N . 95 . HN parsed_5jwj 1
25 . . . . . . . . . . . . . . . . -7.44841 . . . . . 130 . N . 130 . HN parsed_5jwj 1
26 . . . . . . . . . . . . . . . . 3.69182 . . . . . 88 . N . 88 . HN parsed_5jwj 1
27 . . . . . . . . . . . . . . . . 0.526246 . . . . . 89 . N . 89 . HN parsed_5jwj 1
28 . . . . . . . . . . . . . . . . 5.26246 . . . . . 122 . N . 122 . HN parsed_5jwj 1
29 . . . . . . . . . . . . . . . . 5.82919 . . . . . 134 . N . 134 . HN parsed_5jwj 1
30 . . . . . . . . . . . . . . . . 7.85322 . . . . . 146 . N . 146 . HN parsed_5jwj 1
31 . . . . . . . . . . . . . . . . 4.37999 . . . . . 36 . N . 36 . HN parsed_5jwj 1
32 . . . . . . . . . . . . . . . . 8.5009 . . . . . 38 . N . 38 . HN parsed_5jwj 1
33 . . . . . . . . . . . . . . . . -5.68346 . . . . . 40 . N . 40 . HN parsed_5jwj 1
34 . . . . . . . . . . . . . . . . -9.9582 . . . . . 57 . N . 57 . HN parsed_5jwj 1
35 . . . . . . . . . . . . . . . . -0.574823 . . . . . 76 . N . 76 . HN parsed_5jwj 1
36 . . . . . . . . . . . . . . . . 8.40375 . . . . . 79 . N . 79 . HN parsed_5jwj 1
37 . . . . . . . . . . . . . . . . 5.37581 . . . . . 86 . N . 86 . HN parsed_5jwj 1
38 . . . . . . . . . . . . . . . . 11.0755 . . . . . 150 . N . 150 . HN parsed_5jwj 1
39 . . . . . . . . . . . . . . . . 3.15748 . . . . . 6 . N . 6 . HN parsed_5jwj 1
40 . . . . . . . . . . . . . . . . 10.784 . . . . . 132 . N . 132 . HN parsed_5jwj 1
41 . . . . . . . . . . . . . . . . -12.8728 . . . . . 157 . N . 157 . HN parsed_5jwj 1
42 . . . . . . . . . . . . . . . . -3.88613 . . . . . 23 . N . 23 . HN parsed_5jwj 1
43 . . . . . . . . . . . . . . . . -12.5651 . . . . . 31 . N . 31 . HN parsed_5jwj 1
44 . . . . . . . . . . . . . . . . 7.90989 . . . . . 42 . N . 42 . HN parsed_5jwj 1
45 . . . . . . . . . . . . . . . . 0.323844 . . . . . 43 . N . 43 . HN parsed_5jwj 1
46 . . . . . . . . . . . . . . . . 1.05249 . . . . . 60 . N . 60 . HN parsed_5jwj 1
47 . . . . . . . . . . . . . . . . 10.282 . . . . . 72 . N . 72 . HN parsed_5jwj 1
48 . . . . . . . . . . . . . . . . -5.99111 . . . . . 83 . N . 83 . HN parsed_5jwj 1
49 . . . . . . . . . . . . . . . . -5.8049 . . . . . 93 . N . 93 . HN parsed_5jwj 1
50 . . . . . . . . . . . . . . . . 3.54609 . . . . . 114 . N . 114 . HN parsed_5jwj 1
51 . . . . . . . . . . . . . . . . 2.42883 . . . . . 117 . N . 117 . HN parsed_5jwj 1
52 . . . . . . . . . . . . . . . . -14.8159 . . . . . 120 . N . 120 . HN parsed_5jwj 1
53 . . . . . . . . . . . . . . . . -9.22955 . . . . . 138 . N . 138 . HN parsed_5jwj 1
54 . . . . . . . . . . . . . . . . 5.53773 . . . . . 142 . N . 142 . HN parsed_5jwj 1
55 . . . . . . . . . . . . . . . . -4.85766 . . . . . 15 . N . 15 . HN parsed_5jwj 1
56 . . . . . . . . . . . . . . . . 0.404805 . . . . . 161 . N . 161 . HN parsed_5jwj 1
57 . . . . . . . . . . . . . . . . 4.69574 . . . . . 25 . N . 25 . HN parsed_5jwj 1
58 . . . . . . . . . . . . . . . . 9.47244 . . . . . 48 . N . 48 . HN parsed_5jwj 1
59 . . . . . . . . . . . . . . . . -11.8122 . . . . . 53 . N . 53 . HN parsed_5jwj 1
60 . . . . . . . . . . . . . . . . -10.193 . . . . . 54 . N . 54 . HN parsed_5jwj 1
61 . . . . . . . . . . . . . . . . 9.61007 . . . . . 74 . N . 74 . HN parsed_5jwj 1
62 . . . . . . . . . . . . . . . . 0 . . . . . 85 . N . 85 . HN parsed_5jwj 1
63 . . . . . . . . . . . . . . . . 4.29093 . . . . . 111 . N . 111 . HN parsed_5jwj 1
64 . . . . . . . . . . . . . . . . 6.29877 . . . . . 119 . N . 119 . HN parsed_5jwj 1
65 . . . . . . . . . . . . . . . . -1.76495 . . . . . 154 . N . 154 . HN parsed_5jwj 1
66 . . . . . . . . . . . . . . . . -7.63462 . . . . . 21 . N . 21 . HN parsed_5jwj 1
67 . . . . . . . . . . . . . . . . -8.86523 . . . . . 35 . N . 35 . HN parsed_5jwj 1
68 . . . . . . . . . . . . . . . . 10.6059 . . . . . 69 . N . 69 . HN parsed_5jwj 1
69 . . . . . . . . . . . . . . . . -7.69129 . . . . . 110 . N . 110 . HN parsed_5jwj 1
70 . . . . . . . . . . . . . . . . 4.53382 . . . . . 148 . N . 148 . HN parsed_5jwj 1
71 . . . . . . . . . . . . . . . . 5.10054 . . . . . 136 . N . 136 . HN parsed_5jwj 1
72 . . . . . . . . . . . . . . . . -2.30739 . . . . . 147 . N . 147 . HN parsed_5jwj 1
73 . . . . . . . . . . . . . . . . 8.82475 . . . . . 149 . N . 149 . HN parsed_5jwj 1
74 . . . . . . . . . . . . . . . . -10.4278 . . . . . 51 . N . 51 . HN parsed_5jwj 1
75 . . . . . . . . . . . . . . . . 3.61086 . . . . . 61 . N . 61 . HN parsed_5jwj 1
76 . . . . . . . . . . . . . . . . 7.78035 . . . . . 75 . N . 75 . HN parsed_5jwj 1
77 . . . . . . . . . . . . . . . . 11.0107 . . . . . 28 . N . 28 . HN parsed_5jwj 1
78 . . . . . . . . . . . . . . . . -7.65081 . . . . . 124 . N . 124 . HN parsed_5jwj 1
79 . . . . . . . . . . . . . . . . -6.234 . . . . . 133 . N . 133 . HN parsed_5jwj 1
80 . . . . . . . . . . . . . . . . -0.793418 . . . . . 19 . N . 19 . HN parsed_5jwj 1
81 . . . . . . . . . . . . . . . . -11.3426 . . . . . 80 . N . 80 . HN parsed_5jwj 1
82 . . . . . . . . . . . . . . . . -7.28649 . . . . . 127 . N . 127 . HN parsed_5jwj 1
83 . . . . . . . . . . . . . . . . 3.3194 . . . . . 27 . N . 27 . HN parsed_5jwj 1
84 . . . . . . . . . . . . . . . . -13.7634 . . . . . 82 . N . 82 . HN parsed_5jwj 1
85 . . . . . . . . . . . . . . . . 10.5492 . . . . . 94 . N . 94 . HN parsed_5jwj 1
86 . . . . . . . . . . . . . . . . -4.04805 . . . . . 100 . N . 100 . HN parsed_5jwj 1
87 . . . . . . . . . . . . . . . . 3.7323 . . . . . 12 . N . 12 . HN parsed_5jwj 1
88 . . . . . . . . . . . . . . . . 0.080961 . . . . . 123 . N . 123 . HN parsed_5jwj 1
89 . . . . . . . . . . . . . . . . 7.69129 . . . . . 151 . N . 151 . HN parsed_5jwj 1
90 . . . . . . . . . . . . . . . . 9.18907 . . . . . 45 . N . 45 . HN parsed_5jwj 1
91 . . . . . . . . . . . . . . . . -16.9208 . . . . . 78 . N . 78 . HN parsed_5jwj 1
92 . . . . . . . . . . . . . . . . -14.573 . . . . . 97 . N . 97 . HN parsed_5jwj 1
93 . . . . . . . . . . . . . . . . -8.5009 . . . . . 10 . N . 10 . HN parsed_5jwj 1
94 . . . . . . . . . . . . . . . . -11.3345 . . . . . 125 . N . 125 . HN parsed_5jwj 1
95 . . . . . . . . . . . . . . . . -4.53382 . . . . . 126 . N . 126 . HN parsed_5jwj 1
96 . . . . . . . . . . . . . . . . 4.91433 . . . . . 152 . N . 152 . HN parsed_5jwj 1
97 . . . . . . . . . . . . . . . . -6.88168 . . . . . 156 . N . 156 . HN parsed_5jwj 1
98 . . . . . . . . . . . . . . . . -11.4479 . . . . . 16 . N . 16 . HN parsed_5jwj 1
99 . . . . . . . . . . . . . . . . 6.71976 . . . . . 26 . N . 26 . HN parsed_5jwj 1
100 . . . . . . . . . . . . . . . . -12.1522 . . . . . 32 . N . 32 . HN parsed_5jwj 1
101 . . . . . . . . . . . . . . . . 4.38809 . . . . . 52 . N . 52 . HN parsed_5jwj 1
102 . . . . . . . . . . . . . . . . 6.98693 . . . . . 77 . N . 77 . HN parsed_5jwj 1
103 . . . . . . . . . . . . . . . . -0.137634 . . . . . 84 . N . 84 . HN parsed_5jwj 1
104 . . . . . . . . . . . . . . . . 5.04387 . . . . . 91 . N . 91 . HN parsed_5jwj 1
105 . . . . . . . . . . . . . . . . -10.8164 . . . . . 99 . N . 99 . HN parsed_5jwj 1
106 . . . . . . . . . . . . . . . . -9.63436 . . . . . 135 . N . 135 . HN parsed_5jwj 1
107 . . . . . . . . . . . . . . . . -12.2251 . . . . . 155 . N . 155 . HN parsed_5jwj 1
108 . . . . . . . . . . . . . . . . -13.4476 . . . . . 33 . N . 33 . HN parsed_5jwj 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
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 34 and name N )
( resid 34 and name HN ) -6.33115 0.5
;
18 1 23 52 parsed_5jwj 1
2
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 62 and name N )
( resid 62 and name HN ) 10.8083 0.5
;
106 1 111 51 parsed_5jwj 1
3
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 102 and name N )
( resid 102 and name HN ) -3.9509 0.5
;
210 1 215 52 parsed_5jwj 1
4
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 50 and name N )
( resid 50 and name HN ) 9.05144 0.5
;
226 1 231 51 parsed_5jwj 1
5
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 158 and name N )
( resid 158 and name HN ) 7.17314 0.5
;
274 1 279 52 parsed_5jwj 1
6
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 141 and name N )
( resid 141 and name HN ) 4.60668 0.5
;
362 1 367 52 parsed_5jwj 1
7
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 44 and name N )
( resid 44 and name HN ) 9.48863 0.5
;
410 1 415 51 parsed_5jwj 1
8
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 115 and name N )
( resid 115 and name HN ) 12.7999 0.5
;
561 1 566 52 parsed_5jwj 1
9
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 20 and name N )
( resid 20 and name HN ) -15.666 0.5
;
625 1 630 51 parsed_5jwj 1
10
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 18 and name N )
( resid 18 and name HN ) -10.023 0.5
;
705 1 710 51 parsed_5jwj 1
11
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 143 and name N )
( resid 143 and name HN ) 7.34316 0.5
;
840 1 845 52 parsed_5jwj 1
12
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 58 and name N )
( resid 58 and name HN ) 1.57874 0.5
;
896 1 901 51 parsed_5jwj 1
stop_
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 "# Restraints file 3: aKMT_D34Ardc.tbl" 1 1 1 37 parsed_5jwj 1
stop_
save_
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