NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646235 |
6ucj   |
50007 | cing | 2-parsed | STAR | dipolar coupling | 30 |
data_6ucj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ucj
_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_6ucj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ucj
_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 6ucj "Master copy" parsed_6ucj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ucj
_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 6ucj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 111 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 30 parsed_6ucj 1
1 6ucj.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ucj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6ucj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 11.25 . . . . . 13 . N . 13 . HN parsed_6ucj 1
2 . . . . . . . . . . . . . . . . -0.13 . . . . . 14 . N . 14 . HN parsed_6ucj 1
3 . . . . . . . . . . . . . . . . 8.71 . . . . . 15 . N . 15 . HN parsed_6ucj 1
4 . . . . . . . . . . . . . . . . 17.95 . . . . . 16 . N . 16 . HN parsed_6ucj 1
5 . . . . . . . . . . . . . . . . 8.93 . . . . . 17 . N . 17 . HN parsed_6ucj 1
6 . . . . . . . . . . . . . . . . 11.93 . . . . . 20 . N . 20 . HN parsed_6ucj 1
7 . . . . . . . . . . . . . . . . 7.71 . . . . . 21 . N . 21 . HN parsed_6ucj 1
8 . . . . . . . . . . . . . . . . 18.15 . . . . . 23 . N . 23 . HN parsed_6ucj 1
9 . . . . . . . . . . . . . . . . 11.43 . . . . . 24 . N . 24 . HN parsed_6ucj 1
10 . . . . . . . . . . . . . . . . 5.11 . . . . . 25 . N . 25 . HN parsed_6ucj 1
11 . . . . . . . . . . . . . . . . 4.74 . . . . . 28 . N . 28 . HN parsed_6ucj 1
12 . . . . . . . . . . . . . . . . 8.57 . . . . . 29 . N . 29 . HN parsed_6ucj 1
13 . . . . . . . . . . . . . . . . 12.8 . . . . . 30 . N . 30 . HN parsed_6ucj 1
14 . . . . . . . . . . . . . . . . -4.81 . . . . . 32 . N . 32 . HN parsed_6ucj 1
15 . . . . . . . . . . . . . . . . 4.12 . . . . . 33 . N . 33 . HN parsed_6ucj 1
16 . . . . . . . . . . . . . . . . -2.03 . . . . . 34 . N . 34 . HN parsed_6ucj 1
17 . . . . . . . . . . . . . . . . -10.16 . . . . . 35 . N . 35 . HN parsed_6ucj 1
18 . . . . . . . . . . . . . . . . -7.34 . . . . . 36 . N . 36 . HN parsed_6ucj 1
19 . . . . . . . . . . . . . . . . -7.68 . . . . . 38 . N . 38 . HN parsed_6ucj 1
20 . . . . . . . . . . . . . . . . -7.38 . . . . . 39 . N . 39 . HN parsed_6ucj 1
21 . . . . . . . . . . . . . . . . -2.67 . . . . . 52 . N . 52 . HN parsed_6ucj 1
22 . . . . . . . . . . . . . . . . 1.83 . . . . . 53 . N . 53 . HN parsed_6ucj 1
23 . . . . . . . . . . . . . . . . 4.65 . . . . . 54 . N . 54 . HN parsed_6ucj 1
24 . . . . . . . . . . . . . . . . 5.06 . . . . . 55 . N . 55 . HN parsed_6ucj 1
25 . . . . . . . . . . . . . . . . 1.33 . . . . . 56 . N . 56 . HN parsed_6ucj 1
26 . . . . . . . . . . . . . . . . 2.91 . . . . . 57 . N . 57 . HN parsed_6ucj 1
27 . . . . . . . . . . . . . . . . 6.96 . . . . . 58 . N . 58 . HN parsed_6ucj 1
28 . . . . . . . . . . . . . . . . -0.24 . . . . . 62 . N . 62 . HN parsed_6ucj 1
29 . . . . . . . . . . . . . . . . 1.25 . . . . . 63 . N . 63 . HN parsed_6ucj 1
30 . . . . . . . . . . . . . . . . -2.75 . . . . . 65 . N . 65 . HN parsed_6ucj 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 8: D_1000244371_mr_P1.xplor-nih.V1
# assign ( resid 500 and name OO)
;
1 1 2 1 parsed_6ucj 1
2
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 3 and name N)
# ( resid 3 and name HN) 0.05 0.04
;
2 9 8 11 parsed_6ucj 1
3
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 4 and name N)
# ( resid 4 and name HN) 0.07 0.06
;
9 9 15 11 parsed_6ucj 1
4
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 5 and name N)
# ( resid 5 and name HN) -0.24 0.07
;
16 9 22 11 parsed_6ucj 1
5
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 6 and name N)
# ( resid 6 and name HN) -0.01 0.4
;
23 9 29 11 parsed_6ucj 1
6
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 7 and name N)
# ( resid 7 and name HN) 3.49 0.11
;
30 9 36 11 parsed_6ucj 1
7
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 8 and name N)
# ( resid 8 and name HN) 0.57 0.28
;
37 9 43 11 parsed_6ucj 1
8
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 9 and name N)
# ( resid 9 and name HN) 0.7 0.37
;
44 9 50 11 parsed_6ucj 1
9
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 10 and name N)
# ( resid 10 and name HN) -1.3 0.15
;
51 9 57 11 parsed_6ucj 1
10
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 11 and name N)
# ( resid 11 and name HN) -0.28 0.32
;
58 9 64 11 parsed_6ucj 1
11
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 12 and name N)
# ( resid 12 and name HN) 3.91 0.2
;
65 9 70 67 parsed_6ucj 1
12 "#" 107 1 107 1 parsed_6ucj 1
13
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 18 and name N)
# ( resid 18 and name HN) -1.24 0.47 #overlap w F26
#assign ( resid 500 and name OO)
# ( resid 500 and name
# ( resid 500 and name
# ( resid 500 and name
# ( resid 19 and name
# ( resid 19 and name 0.85 6.04 #overlap w K69
;
107 9 119 86 parsed_6ucj 1
14 "#" 135 1 135 1 parsed_6ucj 1
15
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 22 and name N)
# ( resid 22 and name HN) -4.37 0.46 #overlap w V43
;
135 9 140 86 parsed_6ucj 1
16 "#" 163 1 163 1 parsed_6ucj 1
17
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 26 and name N)
# ( resid 26 and name HN) 14.97 0.52 #overlap w C18
;
163 9 169 11 parsed_6ucj 1
18
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 27 and name N)
# ( resid 27 and name HN) -2.02 0.28 #overlap w R51
;
170 9 175 86 parsed_6ucj 1
19 "#" 198 1 198 1 parsed_6ucj 1
20
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 31 and name N)
# ( resid 31 and name HN) -1.42 0.23 #overlap w S40
;
198 9 203 86 parsed_6ucj 1
21 "#" 240 1 240 1 parsed_6ucj 1
22
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 37 and name N)
# ( resid 37 and name HN) 3.35 0.17 #overlap w Y64
;
240 9 245 86 parsed_6ucj 1
23 "#" 261 1 261 1 parsed_6ucj 1
24
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 40 and name N)
# ( resid 40 and name HN) -0.53 0.14
;
261 9 267 11 parsed_6ucj 1
25
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 41 and name N)
# ( resid 41 and name HN) -1.9 0.15
;
268 9 274 11 parsed_6ucj 1
26
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 42 and name N)
# ( resid 42 and name HN) -0.58 0.14
;
275 9 281 11 parsed_6ucj 1
27
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 43 and name N)
# ( resid 43 and name HN) 0.14 0.13
;
282 9 288 11 parsed_6ucj 1
28
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 44 and name N)
# ( resid 44 and name HN) -2.06 0.31
;
289 9 295 11 parsed_6ucj 1
29
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 45 and name N)
# ( resid 45 and name HN) 0.08 0.09
;
296 9 302 11 parsed_6ucj 1
30
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 46 and name N)
# ( resid 46 and name HN) 2.74 0.24
;
303 9 309 11 parsed_6ucj 1
31
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 47 and name N)
# ( resid 47 and name HN) -1.23 0.11
;
310 9 316 11 parsed_6ucj 1
32
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 48 and name N)
# ( resid 48 and name HN) -0.59 0.15
;
317 9 323 11 parsed_6ucj 1
33
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 49 and name N)
# ( resid 49 and name HN) 0.88 0.23
;
324 9 330 11 parsed_6ucj 1
34
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 50 and name N)
# ( resid 50 and name HN) 1.98 0.37
;
331 9 337 11 parsed_6ucj 1
35
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 51 and name N)
# ( resid 51 and name HN) 5.13 0.34 #overlap w L27
;
338 9 343 99 parsed_6ucj 1
36 "#" 394 1 394 1 parsed_6ucj 1
37
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 60 and name N)
# ( resid 60 and name HN) -2.2 0.93 #overlap w V43
;
394 9 399 86 parsed_6ucj 1
38 "#" 415 1 415 1 parsed_6ucj 1
39
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 64 and name N)
# ( resid 64 and name HN) -1.72 0.18 #overlap w I37
;
415 9 420 86 parsed_6ucj 1
40 "#" 429 1 429 1 parsed_6ucj 1
41
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 67 and name N)
# ( resid 67 and name HN) 1.24 0.18
;
429 9 435 11 parsed_6ucj 1
42
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 68 and name N)
# ( resid 68 and name HN) 0.05 0.16
;
436 9 442 11 parsed_6ucj 1
43
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 69 and name N)
# ( resid 69 and name HN) 0.3 0.16
;
443 9 449 11 parsed_6ucj 1
44
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 70 and name N)
# ( resid 70 and name HN) 0.3 0.08
;
450 9 456 11 parsed_6ucj 1
45
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 71 and name N)
# ( resid 71 and name HN) 0.19 0.13
;
457 9 463 11 parsed_6ucj 1
46
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 72 and name N)
# ( resid 72 and name HN) -0.24 0.17
;
464 9 469 68 parsed_6ucj 1
stop_
save_
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