NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
516547 |
2k2g   |
cing | 2-parsed | STAR | dipolar coupling | 101 |
data_2k2g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k2g
_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_2k2g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k2g
_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 2k2g "Master copy" parsed_2k2g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k2g
_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 2k2g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k2g 1
1 2k2g.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 3 distance NOE simple 2557 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 4 unknown "Not applicable" "Not applicable" 0 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 5 distance "general distance" simple 18 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 240 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 101 parsed_2k2g 1
1 2k2g.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k2g 1
1 2k2g.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k2g 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k2g
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . -10.339 . . . . . 108 . N . 108 . HN parsed_2k2g 1
2 . . . . . . . . . . . . . . . . -3.039 . . . . . 109 . NE1 . 109 . HE1 parsed_2k2g 1
3 . . . . . . . . . . . . . . . . 1.825 . . . . . 111 . N . 111 . HN parsed_2k2g 1
4 . . . . . . . . . . . . . . . . -8.514 . . . . . 112 . N . 112 . HN parsed_2k2g 1
5 . . . . . . . . . . . . . . . . -12.164 . . . . . 113 . N . 113 . HN parsed_2k2g 1
6 . . . . . . . . . . . . . . . . -3.041 . . . . . 114 . N . 114 . HN parsed_2k2g 1
7 . . . . . . . . . . . . . . . . -12.164 . . . . . 115 . N . 115 . HN parsed_2k2g 1
8 . . . . . . . . . . . . . . . . 26.152 . . . . . 116 . N . 116 . HN parsed_2k2g 1
9 . . . . . . . . . . . . . . . . 18.854 . . . . . 117 . N . 117 . HN parsed_2k2g 1
10 . . . . . . . . . . . . . . . . 27.368 . . . . . 118 . N . 118 . HN parsed_2k2g 1
11 . . . . . . . . . . . . . . . . -3.649 . . . . . 119 . N . 119 . HN parsed_2k2g 1
12 . . . . . . . . . . . . . . . . -5.474 . . . . . 120 . N . 120 . HN parsed_2k2g 1
13 . . . . . . . . . . . . . . . . -18.245 . . . . . 121 . N . 121 . HN parsed_2k2g 1
14 . . . . . . . . . . . . . . . . -15.204 . . . . . 125 . N . 125 . HN parsed_2k2g 1
15 . . . . . . . . . . . . . . . . -7.298 . . . . . 126 . N . 126 . HN parsed_2k2g 1
16 . . . . . . . . . . . . . . . . -15.813 . . . . . 127 . N . 127 . HN parsed_2k2g 1
17 . . . . . . . . . . . . . . . . -29.801 . . . . . 128 . N . 128 . HN parsed_2k2g 1
18 . . . . . . . . . . . . . . . . -18.245 . . . . . 129 . N . 129 . HN parsed_2k2g 1
19 . . . . . . . . . . . . . . . . -8.514 . . . . . 130 . N . 130 . HN parsed_2k2g 1
20 . . . . . . . . . . . . . . . . -28.584 . . . . . 131 . N . 131 . HN parsed_2k2g 1
21 . . . . . . . . . . . . . . . . -24.327 . . . . . 132 . N . 132 . HN parsed_2k2g 1
22 . . . . . . . . . . . . . . . . -15.813 . . . . . 134 . N . 134 . HN parsed_2k2g 1
23 . . . . . . . . . . . . . . . . -6.690 . . . . . 137 . N . 137 . HN parsed_2k2g 1
24 . . . . . . . . . . . . . . . . -19.462 . . . . . 138 . N . 138 . HN parsed_2k2g 1
25 . . . . . . . . . . . . . . . . -25.543 . . . . . 139 . N . 139 . HN parsed_2k2g 1
26 . . . . . . . . . . . . . . . . -2.433 . . . . . 141 . NE1 . 141 . HE1 parsed_2k2g 1
27 . . . . . . . . . . . . . . . . -21.286 . . . . . 142 . N . 142 . HN parsed_2k2g 1
28 . . . . . . . . . . . . . . . . 1.216 . . . . . 143 . N . 143 . HN parsed_2k2g 1
29 . . . . . . . . . . . . . . . . 15.204 . . . . . 144 . N . 144 . HN parsed_2k2g 1
30 . . . . . . . . . . . . . . . . -9.731 . . . . . 145 . N . 145 . HN parsed_2k2g 1
31 . . . . . . . . . . . . . . . . -6.082 . . . . . 147 . N . 147 . HN parsed_2k2g 1
32 . . . . . . . . . . . . . . . . 3.041 . . . . . 149 . N . 149 . HN parsed_2k2g 1
33 . . . . . . . . . . . . . . . . -9.123 . . . . . 150 . N . 150 . HN parsed_2k2g 1
34 . . . . . . . . . . . . . . . . 11.555 . . . . . 151 . N . 151 . HN parsed_2k2g 1
35 . . . . . . . . . . . . . . . . 17.029 . . . . . 152 . N . 152 . HN parsed_2k2g 1
36 . . . . . . . . . . . . . . . . 3.649 . . . . . 154 . N . 154 . HN parsed_2k2g 1
37 . . . . . . . . . . . . . . . . 6.082 . . . . . 155 . N . 155 . HN parsed_2k2g 1
38 . . . . . . . . . . . . . . . . 2.433 . . . . . 156 . N . 156 . HN parsed_2k2g 1
39 . . . . . . . . . . . . . . . . 13.380 . . . . . 157 . N . 157 . HN parsed_2k2g 1
40 . . . . . . . . . . . . . . . . 17.637 . . . . . 159 . N . 159 . HN parsed_2k2g 1
41 . . . . . . . . . . . . . . . . 18.245 . . . . . 161 . N . 161 . HN parsed_2k2g 1
42 . . . . . . . . . . . . . . . . 1.825 . . . . . 162 . N . 162 . HN parsed_2k2g 1
43 . . . . . . . . . . . . . . . . 4.865 . . . . . 163 . N . 163 . HN parsed_2k2g 1
44 . . . . . . . . . . . . . . . . -10.947 . . . . . 164 . N . 164 . HN parsed_2k2g 1
45 . . . . . . . . . . . . . . . . -10.339 . . . . . 165 . N . 165 . HN parsed_2k2g 1
46 . . . . . . . . . . . . . . . . -0.608 . . . . . 166 . N . 166 . HN parsed_2k2g 1
47 . . . . . . . . . . . . . . . . -3.041 . . . . . 167 . N . 167 . HN parsed_2k2g 1
48 . . . . . . . . . . . . . . . . -12.164 . . . . . 172 . N . 172 . HN parsed_2k2g 1
49 . . . . . . . . . . . . . . . . 6.082 . . . . . 174 . N . 174 . HN parsed_2k2g 1
50 . . . . . . . . . . . . . . . . 7.298 . . . . . 176 . N . 176 . HN parsed_2k2g 1
51 . . . . . . . . . . . . . . . . -9.123 . . . . . 177 . N . 177 . HN parsed_2k2g 1
52 . . . . . . . . . . . . . . . . 26.760 . . . . . 178 . N . 178 . HN parsed_2k2g 1
53 . . . . . . . . . . . . . . . . -7.298 . . . . . 179 . N . 179 . HN parsed_2k2g 1
54 . . . . . . . . . . . . . . . . 12.164 . . . . . 180 . N . 180 . HN parsed_2k2g 1
55 . . . . . . . . . . . . . . . . -27.368 . . . . . 181 . N . 181 . HN parsed_2k2g 1
56 . . . . . . . . . . . . . . . . 10.339 . . . . . 183 . N . 183 . HN parsed_2k2g 1
57 . . . . . . . . . . . . . . . . 34.058 . . . . . 186 . N . 186 . HN parsed_2k2g 1
58 . . . . . . . . . . . . . . . . -7.298 . . . . . 188 . N . 188 . HN parsed_2k2g 1
59 . . . . . . . . . . . . . . . . -6.690 . . . . . 189 . N . 189 . HN parsed_2k2g 1
60 . . . . . . . . . . . . . . . . 1.216 . . . . . 191 . N . 191 . HN parsed_2k2g 1
61 . . . . . . . . . . . . . . . . -14.596 . . . . . 194 . N . 194 . HN parsed_2k2g 1
62 . . . . . . . . . . . . . . . . -0.608 . . . . . 196 . N . 196 . HN parsed_2k2g 1
63 . . . . . . . . . . . . . . . . 1.216 . . . . . 197 . N . 197 . HN parsed_2k2g 1
64 . . . . . . . . . . . . . . . . -10.339 . . . . . 198 . N . 198 . HN parsed_2k2g 1
65 . . . . . . . . . . . . . . . . -4.257 . . . . . 201 . N . 201 . HN parsed_2k2g 1
66 . . . . . . . . . . . . . . . . 0.000 . . . . . 202 . N . 202 . HN parsed_2k2g 1
67 . . . . . . . . . . . . . . . . -4.865 . . . . . 203 . N . 203 . HN parsed_2k2g 1
68 . . . . . . . . . . . . . . . . 22.503 . . . . . 203 . NE1 . 203 . HE1 parsed_2k2g 1
69 . . . . . . . . . . . . . . . . -10.339 . . . . . 209 . N . 209 . HN parsed_2k2g 1
70 . . . . . . . . . . . . . . . . -15.204 . . . . . 210 . N . 210 . HN parsed_2k2g 1
71 . . . . . . . . . . . . . . . . -9.122 . . . . . 211 . N . 211 . HN parsed_2k2g 1
72 . . . . . . . . . . . . . . . . -28.584 . . . . . 212 . N . 212 . HN parsed_2k2g 1
73 . . . . . . . . . . . . . . . . -29.801 . . . . . 213 . N . 213 . HN parsed_2k2g 1
74 . . . . . . . . . . . . . . . . -29.192 . . . . . 214 . N . 214 . HN parsed_2k2g 1
75 . . . . . . . . . . . . . . . . -23.111 . . . . . 216 . N . 216 . HN parsed_2k2g 1
76 . . . . . . . . . . . . . . . . -15.813 . . . . . 217 . N . 217 . HN parsed_2k2g 1
77 . . . . . . . . . . . . . . . . -34.058 . . . . . 218 . N . 218 . HN parsed_2k2g 1
78 . . . . . . . . . . . . . . . . -10.339 . . . . . 220 . N . 220 . HN parsed_2k2g 1
79 . . . . . . . . . . . . . . . . -21.894 . . . . . 221 . N . 221 . HN parsed_2k2g 1
80 . . . . . . . . . . . . . . . . -8.514 . . . . . 225 . N . 225 . HN parsed_2k2g 1
81 . . . . . . . . . . . . . . . . -18.854 . . . . . 227 . N . 227 . HN parsed_2k2g 1
82 . . . . . . . . . . . . . . . . 17.637 . . . . . 228 . N . 228 . HN parsed_2k2g 1
83 . . . . . . . . . . . . . . . . -21.286 . . . . . 229 . N . 229 . HN parsed_2k2g 1
84 . . . . . . . . . . . . . . . . 3.649 . . . . . 231 . N . 231 . HN parsed_2k2g 1
85 . . . . . . . . . . . . . . . . 23.111 . . . . . 234 . N . 234 . HN parsed_2k2g 1
86 . . . . . . . . . . . . . . . . 7.298 . . . . . 235 . N . 235 . HN parsed_2k2g 1
87 . . . . . . . . . . . . . . . . 6.082 . . . . . 242 . N . 242 . HN parsed_2k2g 1
88 . . . . . . . . . . . . . . . . -0.608 . . . . . 243 . N . 243 . HN parsed_2k2g 1
89 . . . . . . . . . . . . . . . . -0.608 . . . . . 244 . N . 244 . HN parsed_2k2g 1
90 . . . . . . . . . . . . . . . . -9.731 . . . . . 248 . N . 248 . HN parsed_2k2g 1
91 . . . . . . . . . . . . . . . . 24.935 . . . . . 249 . N . 249 . HN parsed_2k2g 1
92 . . . . . . . . . . . . . . . . 14.596 . . . . . 251 . N . 251 . HN parsed_2k2g 1
93 . . . . . . . . . . . . . . . . -9.731 . . . . . 252 . N . 252 . HN parsed_2k2g 1
94 . . . . . . . . . . . . . . . . -24.935 . . . . . 253 . N . 253 . HN parsed_2k2g 1
95 . . . . . . . . . . . . . . . . -15.204 . . . . . 254 . N . 254 . HN parsed_2k2g 1
96 . . . . . . . . . . . . . . . . -7.906 . . . . . 256 . N . 256 . HN parsed_2k2g 1
97 . . . . . . . . . . . . . . . . -17.029 . . . . . 257 . N . 257 . HN parsed_2k2g 1
98 . . . . . . . . . . . . . . . . -17.637 . . . . . 258 . N . 258 . HN parsed_2k2g 1
99 . . . . . . . . . . . . . . . . -18.245 . . . . . 259 . N . 259 . HN parsed_2k2g 1
100 . . . . . . . . . . . . . . . . -10.339 . . . . . 260 . N . 260 . HN parsed_2k2g 1
101 . . . . . . . . . . . . . . . . 18.853 . . . . . 263 . N . 263 . HN parsed_2k2g 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
;
Residual dipolar coupling restraints
Based on 15N protein aligned by polyacrylamide gel compressed 6/9/2004
;
1 1 2 73 parsed_2k2g 1
2 overlap 60 37 60 46 parsed_2k2g 1
3 "some overlap" 81 37 81 51 parsed_2k2g 1
4 "some overlap" 102 37 102 51 parsed_2k2g 1
5 "some overlap" 123 37 123 51 parsed_2k2g 1
6 overlap 130 37 130 46 parsed_2k2g 1
7 overlap 137 37 137 46 parsed_2k2g 1
8 overlap 144 37 144 46 parsed_2k2g 1
9 overlap 158 37 158 46 parsed_2k2g 1
10 "some overlap, noise" 165 37 165 58 parsed_2k2g 1
11 "some overlap" 193 37 193 51 parsed_2k2g 1
12 overlap 221 37 221 46 parsed_2k2g 1
13 "some overlap" 256 37 256 51 parsed_2k2g 1
14 "some overlap" 263 37 263 51 parsed_2k2g 1
15 "some overlap" 277 37 277 51 parsed_2k2g 1
16 "weak - 4 contours" 319 37 319 56 parsed_2k2g 1
17 "some overlap" 333 37 333 51 parsed_2k2g 1
18 overlap 340 37 340 46 parsed_2k2g 1
19 shape? 368 37 368 45 parsed_2k2g 1
20 "weak - 3 contours" 382 37 382 56 parsed_2k2g 1
21 "flexible loop?" 410 37 410 53 parsed_2k2g 1
22 "weak - 4 contours" 417 37 417 56 parsed_2k2g 1
23 "some overlap" 424 37 424 51 parsed_2k2g 1
24 "some overlap" 445 37 445 51 parsed_2k2g 1
25 overlap 529 37 529 46 parsed_2k2g 1
26 "some overlap" 543 37 543 51 parsed_2k2g 1
27 "weak - 4 contours, shape" 578 37 578 63 parsed_2k2g 1
28 test 592 37 592 43 parsed_2k2g 1
29 "weak - 4 contours" 599 37 599 56 parsed_2k2g 1
30 "some overlap" 620 37 620 51 parsed_2k2g 1
31 "some overlap" 641 37 641 51 parsed_2k2g 1
32 "some overlap" 648 37 648 51 parsed_2k2g 1
33 overlap 662 37 662 46 parsed_2k2g 1
34
;
Dipolar couplings measured in PEG/hexanol
Dipolar coupling table generated from RDC_HN_PEG4.txt
;
710 1 711 55 parsed_2k2g 1
stop_
save_
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