NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
524070 |
2lgp   |
16480 | cing | 2-parsed | STAR | dipolar coupling | 54 |
data_2lgp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lgp
_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_2lgp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lgp
_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 2lgp "Master copy" parsed_2lgp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lgp
_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 2lgp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 2 distance "general distance" simple 12 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 4 distance "general distance" simple 26 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 12 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 6 distance NOE ambi 2818 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 54 parsed_2lgp 1
1 2lgp.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lgp 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lgp
_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 . . . . . . . . . . . . . . . . 4.4390 . . . . " " 127 . N " " 127 . HN parsed_2lgp 1
2 . . . . . . . . . . . . . . . . -0.9425 . . . . " " 131 . N " " 131 . HN parsed_2lgp 1
3 . . . . . . . . . . . . . . . . 0.1216 . . . . " " 132 . N " " 132 . HN parsed_2lgp 1
4 . . . . . . . . . . . . . . . . -1.8851 . . . . " " 133 . N " " 133 . HN parsed_2lgp 1
5 . . . . . . . . . . . . . . . . 5.1383 . . . . " " 134 . N " " 134 . HN parsed_2lgp 1
6 . . . . . . . . . . . . . . . . -1.368 . . . . " " 137 . N " " 137 . HN parsed_2lgp 1
7 . . . . . . . . . . . . . . . . 1.8850 . . . . " " 138 . N " " 138 . HN parsed_2lgp 1
8 . . . . . . . . . . . . . . . . 1.6114 . . . . " " 139 . N " " 139 . HN parsed_2lgp 1
9 . . . . . . . . . . . . . . . . 1.2466 . . . . " " 140 . N " " 140 . HN parsed_2lgp 1
10 . . . . . . . . . . . . . . . . 0.8513 . . . . " " 142 . N " " 142 . HN parsed_2lgp 1
11 . . . . . . . . . . . . . . . . 4.0133 . . . . " " 143 . N " " 143 . HN parsed_2lgp 1
12 . . . . . . . . . . . . . . . . -1.277 . . . . " " 144 . N " " 144 . HN parsed_2lgp 1
13 . . . . . . . . . . . . . . . . -2.3715 . . . . " " 145 . N " " 145 . HN parsed_2lgp 1
14 . . . . . . . . . . . . . . . . -2.9188 . . . . " " 146 . N " " 146 . HN parsed_2lgp 1
15 . . . . . . . . . . . . . . . . -4.287 . . . . " " 147 . N " " 147 . HN parsed_2lgp 1
16 . . . . . . . . . . . . . . . . -3.192 . . . . " " 149 . N " " 149 . HN parsed_2lgp 1
17 . . . . . . . . . . . . . . . . -1.885 . . . . " " 151 . N " " 151 . HN parsed_2lgp 1
18 . . . . . . . . . . . . . . . . 0.2432 . . . . " " 152 . N " " 152 . HN parsed_2lgp 1
19 . . . . . . . . . . . . . . . . -3.1316 . . . . " " 154 . N " " 154 . HN parsed_2lgp 1
20 . . . . . . . . . . . . . . . . 6.506 . . . . " " 155 . N " " 155 . HN parsed_2lgp 1
21 . . . . . . . . . . . . . . . . -3.5877 . . . . " " 156 . N " " 156 . HN parsed_2lgp 1
22 . . . . . . . . . . . . . . . . -3.4053 . . . . " " 157 . N " " 157 . HN parsed_2lgp 1
23 . . . . . . . . . . . . . . . . -4.7735 . . . . " " 158 . N " " 158 . HN parsed_2lgp 1
24 . . . . . . . . . . . . . . . . 0.7297 . . . . " " 159 . N " " 159 . HN parsed_2lgp 1
25 . . . . . . . . . . . . . . . . -2.6756 . . . . " " 162 . N " " 162 . HN parsed_2lgp 1
26 . . . . . . . . . . . . . . . . -1.216 . . . . " " 163 . N " " 163 . HN parsed_2lgp 1
27 . . . . . . . . . . . . . . . . 3.0404 . . . . " " 176 . N " " 176 . HN parsed_2lgp 1
28 . . . . . . . . . . . . . . . . 1.490 . . . . " " 177 . N " " 177 . HN parsed_2lgp 1
29 . . . . . . . . . . . . . . . . -2.736 . . . . " " 179 . N " " 179 . HN parsed_2lgp 1
30 . . . . . . . . . . . . . . . . -1.642 . . . . " " 180 . N " " 180 . HN parsed_2lgp 1
31 . . . . . . . . . . . . . . . . 2.0066 . . . . " " 181 . N " " 181 . HN parsed_2lgp 1
32 . . . . . . . . . . . . . . . . 1.4594 . . . . " " 182 . N " " 182 . HN parsed_2lgp 1
33 . . . . . . . . . . . . . . . . 2.0378 . . . . " " 183 . N " " 183 . HN parsed_2lgp 1
34 . . . . . . . . . . . . . . . . -5.716 . . . . " " 184 . N " " 184 . HN parsed_2lgp 1
35 . . . . . . . . . . . . . . . . -4.743 . . . . " " 185 . N " " 185 . HN parsed_2lgp 1
36 . . . . . . . . . . . . . . . . -2.0675 . . . . " " 186 . N " " 186 . HN parsed_2lgp 1
37 . . . . . . . . . . . . . . . . 0.7297 . . . . " " 187 . N " " 187 . HN parsed_2lgp 1
38 . . . . . . . . . . . . . . . . 2.70599 . . . . " " 189 . N " " 189 . HN parsed_2lgp 1
39 . . . . . . . . . . . . . . . . 2.3411 . . . . " " 190 . N " " 190 . HN parsed_2lgp 1
40 . . . . . . . . . . . . . . . . 0.4560 . . . . " " 191 . N " " 191 . HN parsed_2lgp 1
41 . . . . . . . . . . . . . . . . 3.4357 . . . . " " 194 . N " " 194 . HN parsed_2lgp 1
42 . . . . . . . . . . . . . . . . -0.668 . . . . " " 195 . N " " 195 . HN parsed_2lgp 1
43 . . . . . . . . . . . . . . . . -3.4357 . . . . " " 196 . N " " 196 . HN parsed_2lgp 1
44 . . . . . . . . . . . . . . . . 0.12167 . . . . " " 197 . N " " 197 . HN parsed_2lgp 1
45 . . . . . . . . . . . . . . . . 2.5235 . . . . " " 198 . N " " 198 . HN parsed_2lgp 1
46 . . . . . . . . . . . . . . . . 2.189 . . . . " " 200 . N " " 200 . HN parsed_2lgp 1
47 . . . . . . . . . . . . . . . . -1.9459 . . . . " " 202 . N " " 202 . HN parsed_2lgp 1
48 . . . . . . . . . . . . . . . . 2.3715 . . . . " " 203 . N " " 203 . HN parsed_2lgp 1
49 . . . . . . . . . . . . . . . . 1.7026 . . . . " " 204 . N " " 204 . HN parsed_2lgp 1
50 . . . . . . . . . . . . . . . . -4.287 . . . . " " 205 . N " " 205 . HN parsed_2lgp 1
51 . . . . . . . . . . . . . . . . 1.9154 . . . . " " 206 . N " " 206 . HN parsed_2lgp 1
52 . . . . . . . . . . . . . . . . -1.0945 . . . . " " 207 . N " " 207 . HN parsed_2lgp 1
53 . . . . . . . . . . . . . . . . -3.2836 . . . . " " 208 . N " " 208 . HN parsed_2lgp 1
54 . . . . . . . . . . . . . . . . 3.314 . . . . " " 210 . N " " 210 . HN parsed_2lgp 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 "SANI restraints from RDC measurements" 1 1 1 40 parsed_2lgp 1
2
;
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 144 and name NE1 )
( segid " " and resid 144 and name HE1 )
4.1958 0.600
;
87 1 93 15 parsed_2lgp 1
3
;
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 159 and name NE1 )
( segid " " and resid 159 and name HE1 )
-4.378 0.600
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 161 and name N )
( segid " " and resid 161 and name HN )
-3.952 0.400
;
178 1 191 14 parsed_2lgp 1
4
;
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 193 and name NE1 )
( segid " " and resid 193 and name HE1 )
1.15536 0.600
;
304 1 310 15 parsed_2lgp 1
5
;
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 135 and name ND2 )
( segid " " and resid 135 and name HD21 )
-5.898 0.300
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 135 and name ND2 )
( segid " " and resid 135 and name HD22 )
3.6485 0.300
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 142 and name NE2 )
( segid " " and resid 142 and name HE21 )
0.668 0.300
assign ( segid " " and resid 500 and name OO )
( segid " " and resid 500 and name Z )
( segid " " and resid 500 and name X )
( segid " " and resid 500 and name Y )
( segid " " and resid 142 and name NE2 )
( segid " " and resid 142 and name HE22 )
1.945 0.300
;
409 1 436 13 parsed_2lgp 1
stop_
save_
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