NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533396 |
2km8   |
16425 | cing | 2-parsed | STAR | dipolar coupling | 32 |
data_2km8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2km8
_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_2km8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2km8
_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 2km8 "Master copy" parsed_2km8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2km8
_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 2km8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 2 distance NOE simple 4662 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 132 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 203 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 96 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 55 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 32 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2km8 1
1 2km8.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_2km8 1
1 2km8.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2km8 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2km8
_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 . . . . . . . . . . . . . . . . -4.415 . . . . . 164 . HA1 . 164 . CA parsed_2km8 1
2 . . . . . . . . . . . . . . . . 3.47 . . . . . 165 . HA1 . 165 . CA parsed_2km8 1
3 . . . . . . . . . . . . . . . . -0.055 . . . . . 166 . HA . 166 . CA parsed_2km8 1
4 . . . . . . . . . . . . . . . . 0.635 . . . . . 172 . HA . 172 . CA parsed_2km8 1
5 . . . . . . . . . . . . . . . . 8.38 . . . . . 176 . HA . 176 . CA parsed_2km8 1
6 . . . . . . . . . . . . . . . . -1.21 . . . . . 195 . HA . 195 . CA parsed_2km8 1
7 . . . . . . . . . . . . . . . . 2.685 . . . . . 195 . CB . 195 . CA parsed_2km8 1
8 . . . . . . . . . . . . . . . . -1.445 . . . . . 197 . HA2 . 197 . CA parsed_2km8 1
9 . . . . . . . . . . . . . . . . -2.44 . . . . . 198 . HA . 198 . CA parsed_2km8 1
10 . . . . . . . . . . . . . . . . 17.35 . . . . . 203 . HA2 . 203 . CA parsed_2km8 1
11 . . . . . . . . . . . . . . . . -0.525 . . . . . 210 . HD1 . 210 . CD parsed_2km8 1
12 . . . . . . . . . . . . . . . . -2.205 . . . . . 210 . HD2 . 210 . CD parsed_2km8 1
13 . . . . . . . . . . . . . . . . 0.19 . . . . . 223 . HA . 223 . CA parsed_2km8 1
14 . . . . . . . . . . . . . . . . -13.305 . . . . . 225 . HA1 . 225 . CA parsed_2km8 1
15 . . . . . . . . . . . . . . . . -0.76 . . . . . 230 . HD2 . 230 . CD parsed_2km8 1
16 . . . . . . . . . . . . . . . . 8.655 . . . . . 236 . HA . 236 . CA parsed_2km8 1
17 . . . . . . . . . . . . . . . . 0.045 . . . . . 243 . HA2 . 243 . CA parsed_2km8 1
18 . . . . . . . . . . . . . . . . 1.325 . . . . . 248 . HA2 . 248 . CA parsed_2km8 1
19 . . . . . . . . . . . . . . . . 0.48 . . . . . 254 . HA . 254 . CA parsed_2km8 1
20 . . . . . . . . . . . . . . . . 7.765 . . . . . 256 . HB1 . 256 . CB parsed_2km8 1
21 . . . . . . . . . . . . . . . . -5.21 . . . . . 269 . HA . 269 . CA parsed_2km8 1
22 . . . . . . . . . . . . . . . . 1.2 . . . . . 272 . CB . 272 . CA parsed_2km8 1
23 . . . . . . . . . . . . . . . . 3.575 . . . . . 278 . HA . 278 . CA parsed_2km8 1
24 . . . . . . . . . . . . . . . . -2.215 . . . . . 285 . HA1 . 285 . CA parsed_2km8 1
25 . . . . . . . . . . . . . . . . -3.745 . . . . . 285 . HA2 . 285 . CA parsed_2km8 1
26 . . . . . . . . . . . . . . . . -0.3 . . . . . 287 . HA1 . 287 . CA parsed_2km8 1
27 . . . . . . . . . . . . . . . . 7.58 . . . . . 292 . HA . 292 . CA parsed_2km8 1
28 . . . . . . . . . . . . . . . . -12.935 . . . . . 294 . HA . 294 . CA parsed_2km8 1
29 . . . . . . . . . . . . . . . . 2.365 . . . . . 296 . HA . 296 . CA parsed_2km8 1
30 . . . . . . . . . . . . . . . . 8.145 . . . . . 318 . CB . 318 . CA parsed_2km8 1
31 . . . . . . . . . . . . . . . . -3.195 . . . . . 320 . HD1 . 320 . CD parsed_2km8 1
32 . . . . . . . . . . . . . . . . 0.685 . . . . . 320 . HD2 . 320 . CD parsed_2km8 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 "! Gly164CA-HA1" 6 46 6 61 parsed_2km8 1
2 "! Gly165CA-HA1" 12 44 12 59 parsed_2km8 1
3 "! Leu166CA-HA" 18 46 18 60 parsed_2km8 1
4 "! Glu172CA-HA" 24 45 24 59 parsed_2km8 1
5 "! Arg176CA-HA" 30 44 30 58 parsed_2km8 1
6 "! Ala195CA-HA" 36 45 36 59 parsed_2km8 1
7 "! Ala195CB-QB" 42 45 42 59 parsed_2km8 1
8 "! Gly197CA-HA2" 48 46 48 61 parsed_2km8 1
9 "! Arg198CA-HA" 54 45 54 59 parsed_2km8 1
10 "! Gly203CA-HA2" 60 45 60 60 parsed_2km8 1
11 "! Pro210CD-HD2" 66 46 66 61 parsed_2km8 1
12 "! Pro210CD-HD3" 72 46 72 61 parsed_2km8 1
13 "! Leu223CA-HA" 78 44 78 58 parsed_2km8 1
14 "! Gly225CA-HA1" 84 47 84 62 parsed_2km8 1
15 "! Pro230CD-HD3" 90 45 90 60 parsed_2km8 1
16 "! Arg236CA-HA" 96 45 96 59 parsed_2km8 1
17 "! Gly243CA-HA2" 102 45 102 60 parsed_2km8 1
18 "! Gly248CA-HA2" 108 45 108 60 parsed_2km8 1
19 "! Val254CA-HA" 114 44 114 58 parsed_2km8 1
20 "! Pro256CB-HB1" 120 45 120 60 parsed_2km8 1
21 "! Ile269CA-HA" 126 45 126 59 parsed_2km8 1
22 "! Ala272CB-QB" 132 43 132 57 parsed_2km8 1
23 "! Lys278CA-HA" 138 45 138 59 parsed_2km8 1
24 "! Gly285CA-HA1" 144 46 144 61 parsed_2km8 1
25 "! Gly285CA-HA2" 150 46 150 61 parsed_2km8 1
26 "! Gly287CA-HA1" 156 44 156 59 parsed_2km8 1
27 "! Asp292CA-HA" 162 44 162 58 parsed_2km8 1
28 "! Ala294CA-HA" 168 47 168 61 parsed_2km8 1
29 "! Ala296CA-HA" 174 45 174 59 parsed_2km8 1
30 "! Ala318CB-QB" 180 45 180 59 parsed_2km8 1
31 "! Pro320CD-HD2" 186 46 186 61 parsed_2km8 1
32 "! Pro320CD-HD3" 192 45 192 60 parsed_2km8 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 10:55:09 AM GMT (wattos1)