NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
639612 |
6k2k   |
cing | 2-parsed | STAR | dipolar coupling | 44 |
data_6k2k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6k2k
_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_6k2k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6k2k
_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 6k2k "Master copy" parsed_6k2k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6k2k
_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 6k2k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6k2k 1
1 6k2k.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_6k2k 1
1 6k2k.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_6k2k 1
1 6k2k.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_6k2k 1
1 6k2k.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6k2k 1
1 6k2k.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_6k2k 1
1 6k2k.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6k2k 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6k2k
_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.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 . . . . . . . . . . . . . . . . -12.24 -12.74 -11.74 . . . 301 . N . 301 . HN parsed_6k2k 1
2 . . . . . . . . . . . . . . . . -11.72 -12.22 -11.22 . . . 302 . N . 302 . HN parsed_6k2k 1
3 . . . . . . . . . . . . . . . . 8.03 7.53 8.53 . . . 303 . N . 303 . HN parsed_6k2k 1
4 . . . . . . . . . . . . . . . . -7.01 -7.51 -6.51 . . . 304 . N . 304 . HN parsed_6k2k 1
5 . . . . . . . . . . . . . . . . 5.93 5.43 6.93 . . . 305 . N . 305 . HN parsed_6k2k 1
6 . . . . . . . . . . . . . . . . 3.73 2.23 5.23 . . . 306 . N . 306 . HN parsed_6k2k 1
7 . . . . . . . . . . . . . . . . 2.48 1.98 2.98 . . . 307 . N . 307 . HN parsed_6k2k 1
8 . . . . . . . . . . . . . . . . -0.53 -1.03 -0.03 . . . 308 . N . 308 . HN parsed_6k2k 1
9 . . . . . . . . . . . . . . . . -15.71 -17.21 -14.21 . . . 309 . N . 309 . HN parsed_6k2k 1
10 . . . . . . . . . . . . . . . . -5.93 -6.43 -5.43 . . . 310 . N . 310 . HN parsed_6k2k 1
11 . . . . . . . . . . . . . . . . 10.55 9.55 11.55 . . . 311 . N . 311 . HN parsed_6k2k 1
12 . . . . . . . . . . . . . . . . -14.51 -15.01 -14.01 . . . 312 . N . 312 . HN parsed_6k2k 1
13 . . . . . . . . . . . . . . . . -17.79 -19.29 -16.29 . . . 313 . N . 313 . HN parsed_6k2k 1
14 . . . . . . . . . . . . . . . . -12.85 -13.35 -12.35 . . . 314 . N . 314 . HN parsed_6k2k 1
15 . . . . . . . . . . . . . . . . -4.62 -5.12 -4.12 . . . 315 . N . 315 . HN parsed_6k2k 1
16 . . . . . . . . . . . . . . . . 5.85 4.85 6.85 . . . 316 . N . 316 . HN parsed_6k2k 1
17 . . . . . . . . . . . . . . . . 14.06 13.56 14.56 . . . 317 . N . 317 . HN parsed_6k2k 1
18 . . . . . . . . . . . . . . . . -2.51 -3.01 -2.01 . . . 318 . N . 318 . HN parsed_6k2k 1
19 . . . . . . . . . . . . . . . . 6.00 5.50 6.50 . . . 319 . N . 319 . HN parsed_6k2k 1
20 . . . . . . . . . . . . . . . . -10.50 -11.00 -10.00 . . . 320 . N . 320 . HN parsed_6k2k 1
21 . . . . . . . . . . . . . . . . -7.35 -8.85 -5.85 . . . 321 . N . 321 . HN parsed_6k2k 1
22 . . . . . . . . . . . . . . . . 6.65 5.65 7.65 . . . 322 . N . 322 . HN parsed_6k2k 1
23 . . . . . . . . . . . . . . . . 6.61 5.61 7.61 . . . 323 . N . 323 . HN parsed_6k2k 1
24 . . . . . . . . . . . . . . . . 3.44 2.94 3.94 . . . 325 . N . 325 . HN parsed_6k2k 1
25 . . . . . . . . . . . . . . . . 9.32 8.82 9.82 . . . 326 . N . 326 . HN parsed_6k2k 1
26 . . . . . . . . . . . . . . . . 3.09 2.59 3.59 . . . 327 . N . 327 . HN parsed_6k2k 1
27 . . . . . . . . . . . . . . . . 2.75 2.25 3.25 . . . 328 . N . 328 . HN parsed_6k2k 1
28 . . . . . . . . . . . . . . . . 6.01 5.51 6.51 . . . 329 . N . 329 . HN parsed_6k2k 1
29 . . . . . . . . . . . . . . . . 9.25 8.75 9.75 . . . 330 . N . 330 . HN parsed_6k2k 1
30 . . . . . . . . . . . . . . . . 8.43 7.93 8.93 . . . 332 . N . 332 . HN parsed_6k2k 1
31 . . . . . . . . . . . . . . . . -14.84 -15.34 -14.34 . . . 334 . N . 334 . HN parsed_6k2k 1
32 . . . . . . . . . . . . . . . . 14.23 13.73 14.73 . . . 335 . N . 335 . HN parsed_6k2k 1
33 . . . . . . . . . . . . . . . . 6.53 6.03 7.03 . . . 336 . N . 336 . HN parsed_6k2k 1
34 . . . . . . . . . . . . . . . . -10.50 -11.00 -10.00 . . . 338 . N . 338 . HN parsed_6k2k 1
35 . . . . . . . . . . . . . . . . -17.65 -19.15 -16.15 . . . 339 . N . 339 . HN parsed_6k2k 1
36 . . . . . . . . . . . . . . . . -2.84 -3.34 -2.34 . . . 340 . N . 340 . HN parsed_6k2k 1
37 . . . . . . . . . . . . . . . . 6.52 5.52 7.52 . . . 341 . N . 341 . HN parsed_6k2k 1
38 . . . . . . . . . . . . . . . . -2.06 -2.56 -1.56 . . . 342 . N . 342 . HN parsed_6k2k 1
39 . . . . . . . . . . . . . . . . 17.38 16.88 17.88 . . . 343 . N . 343 . HN parsed_6k2k 1
40 . . . . . . . . . . . . . . . . 3.86 3.36 4.36 . . . 344 . N . 344 . HN parsed_6k2k 1
41 . . . . . . . . . . . . . . . . -14.59 -15.09 -14.09 . . . 345 . N . 345 . HN parsed_6k2k 1
42 . . . . . . . . . . . . . . . . -13.60 -15.10 -12.10 . . . 346 . N . 346 . HN parsed_6k2k 1
43 . . . . . . . . . . . . . . . . -20.76 -22.26 -19.26 . . . 347 . N . 347 . HN parsed_6k2k 1
44 . . . . . . . . . . . . . . . . 11.19 9.19 13.19 . . . 349 . N . 349 . HN parsed_6k2k 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 "ALA 301" 4 87 4 97 parsed_6k2k 1
2 "CYS 302" 8 87 8 97 parsed_6k2k 1
3 "VAL 303" 12 87 12 97 parsed_6k2k 1
4 "VAL 304" 16 87 16 97 parsed_6k2k 1
5 "CYS 305" 20 87 20 97 parsed_6k2k 1
6 "LEU 306" 24 87 24 97 parsed_6k2k 1
7 "SER 307" 28 87 28 97 parsed_6k2k 1
8 "SER 308" 32 87 32 97 parsed_6k2k 1
9 "PHE 309" 36 87 36 97 parsed_6k2k 1
10 "LYS 310" 40 87 40 97 parsed_6k2k 1
11 "SER 311" 44 87 44 97 parsed_6k2k 1
12 "CYS 312" 48 87 48 97 parsed_6k2k 1
13 "VAL 313" 52 87 52 97 parsed_6k2k 1
14 "PHE 314" 56 87 56 97 parsed_6k2k 1
15 "LEU 315" 60 87 60 97 parsed_6k2k 1
16 "GLU 316" 64 87 64 97 parsed_6k2k 1
17 "CYS 317" 68 87 68 97 parsed_6k2k 1
18 "GLY 318" 72 87 72 97 parsed_6k2k 1
19 "HIS 319" 76 87 76 97 parsed_6k2k 1
20 "VAL 320" 80 87 80 97 parsed_6k2k 1
21 "CYS 321" 84 87 84 97 parsed_6k2k 1
22 "SER 322" 88 87 88 97 parsed_6k2k 1
23 "CYS 323" 92 87 92 97 parsed_6k2k 1
24 "GLU 325" 96 87 96 97 parsed_6k2k 1
25 "CYS 326" 100 87 100 97 parsed_6k2k 1
26 "TYR 327" 104 87 104 97 parsed_6k2k 1
27 "ARG 328" 108 87 108 97 parsed_6k2k 1
28 "ALA 329" 112 87 112 97 parsed_6k2k 1
29 "LEU 330" 116 87 116 97 parsed_6k2k 1
30 "GLU 332" 120 87 120 97 parsed_6k2k 1
31 "LYS 334" 124 87 124 97 parsed_6k2k 1
32 "LYS 335" 128 87 128 97 parsed_6k2k 1
33 "CYS 336" 132 87 132 97 parsed_6k2k 1
34 "ILE 338" 136 87 136 97 parsed_6k2k 1
35 "CYS 339" 140 87 140 97 parsed_6k2k 1
36 "ARG 340" 144 87 144 97 parsed_6k2k 1
37 "GLN 341" 148 87 148 97 parsed_6k2k 1
38 "ALA 342" 152 87 152 97 parsed_6k2k 1
39 "ILE 343" 156 87 156 97 parsed_6k2k 1
40 "THR 344" 160 87 160 97 parsed_6k2k 1
41 "ARG 345" 164 87 164 97 parsed_6k2k 1
42 "VAL 346" 168 87 168 97 parsed_6k2k 1
43 "ILE 347" 172 87 172 97 parsed_6k2k 1
44 "LEU 349" 176 87 176 97 parsed_6k2k 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 2: in_rdc_nhhn.tbl" 1 1 1 36 parsed_6k2k 1
stop_
save_
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