NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
602510 |
2n1a   |
25553 | cing | 2-parsed | STAR | dipolar coupling | 79 |
data_2n1a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n1a
_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_2n1a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n1a
_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 2n1a "Master copy" parsed_2n1a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n1a
_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 2n1a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1a 1
1 2n1a.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 79 parsed_2n1a 1
1 2n1a.mr . . HADDOCK 3 distance NOE ambi 0 parsed_2n1a 1
1 2n1a.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1a 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n1a
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 8.734000 . . . . . 24 . N . 24 . HN parsed_2n1a 1
2 . . . . . . . . . . . . . . . . 7.031800 . . . . . 25 . N . 25 . HN parsed_2n1a 1
3 . . . . . . . . . . . . . . . . -4.762040 . . . . . 28 . N . 28 . HN parsed_2n1a 1
4 . . . . . . . . . . . . . . . . 1.317260 . . . . . 30 . N . 30 . HN parsed_2n1a 1
5 . . . . . . . . . . . . . . . . -1.965570 . . . . . 33 . N . 33 . HN parsed_2n1a 1
6 . . . . . . . . . . . . . . . . -1.843980 . . . . . 34 . N . 34 . HN parsed_2n1a 1
7 . . . . . . . . . . . . . . . . -1.722400 . . . . . 36 . N . 36 . HN parsed_2n1a 1
8 . . . . . . . . . . . . . . . . -7.984070 . . . . . 38 . N . 38 . HN parsed_2n1a 1
9 . . . . . . . . . . . . . . . . 1.803600 . . . . . 40 . N . 40 . HN parsed_2n1a 1
10 . . . . . . . . . . . . . . . . -0.567328 . . . . . 43 . N . 43 . HN parsed_2n1a 1
11 . . . . . . . . . . . . . . . . 4.052940 . . . . . 44 . N . 44 . HN parsed_2n1a 1
12 . . . . . . . . . . . . . . . . 1.256460 . . . . . 45 . N . 45 . HN parsed_2n1a 1
13 . . . . . . . . . . . . . . . . 0.891704 . . . . . 46 . N . 46 . HN parsed_2n1a 1
14 . . . . . . . . . . . . . . . . -8.592000 . . . . . 49 . N . 49 . HN parsed_2n1a 1
15 . . . . . . . . . . . . . . . . -0.020191 . . . . . 50 . N . 50 . HN parsed_2n1a 1
16 . . . . . . . . . . . . . . . . 8.673210 . . . . . 52 . N . 52 . HN parsed_2n1a 1
17 . . . . . . . . . . . . . . . . -0.567328 . . . . . 57 . N . 57 . HN parsed_2n1a 1
18 . . . . . . . . . . . . . . . . 1.317260 . . . . . 58 . N . 58 . HN parsed_2n1a 1
19 . . . . . . . . . . . . . . . . 8.247660 . . . . . 62 . N . 62 . HN parsed_2n1a 1
20 . . . . . . . . . . . . . . . . -1.357640 . . . . . 63 . N . 63 . HN parsed_2n1a 1
21 . . . . . . . . . . . . . . . . 9.220350 . . . . . 64 . N . 64 . HN parsed_2n1a 1
22 . . . . . . . . . . . . . . . . -0.263363 . . . . . 67 . N . 67 . HN parsed_2n1a 1
23 . . . . . . . . . . . . . . . . 0.040602 . . . . . 68 . N . 68 . HN parsed_2n1a 1
24 . . . . . . . . . . . . . . . . -2.391120 . . . . . 69 . N . 69 . HN parsed_2n1a 1
25 . . . . . . . . . . . . . . . . -2.391120 . . . . . 70 . N . 70 . HN parsed_2n1a 1
26 . . . . . . . . . . . . . . . . -5.005220 . . . . . 72 . N . 72 . HN parsed_2n1a 1
27 . . . . . . . . . . . . . . . . -2.512700 . . . . . 76 . N . 76 . HN parsed_2n1a 1
28 . . . . . . . . . . . . . . . . -1.175260 . . . . . 77 . N . 77 . HN parsed_2n1a 1
29 . . . . . . . . . . . . . . . . -0.810500 . . . . . 78 . N . 78 . HN parsed_2n1a 1
30 . . . . . . . . . . . . . . . . 4.843250 . . . . . 80 . N . 80 . HN parsed_2n1a 1
31 . . . . . . . . . . . . . . . . -3.242220 . . . . . 82 . N . 82 . HN parsed_2n1a 1
32 . . . . . . . . . . . . . . . . 11.044100 . . . . . 83 . N . 83 . HN parsed_2n1a 1
33 . . . . . . . . . . . . . . . . 12.928700 . . . . . 84 . N . 84 . HN parsed_2n1a 1
34 . . . . . . . . . . . . . . . . -0.506535 . . . . . 85 . N . 85 . HN parsed_2n1a 1
35 . . . . . . . . . . . . . . . . 9.159550 . . . . . 87 . N . 87 . HN parsed_2n1a 1
36 . . . . . . . . . . . . . . . . -1.175260 . . . . . 91 . N . 91 . HN parsed_2n1a 1
37 . . . . . . . . . . . . . . . . 0.770118 . . . . . 92 . N . 92 . HN parsed_2n1a 1
38 . . . . . . . . . . . . . . . . -4.214910 . . . . . 206 . N . 206 . HN parsed_2n1a 1
39 . . . . . . . . . . . . . . . . -6.829010 . . . . . 207 . N . 207 . HN parsed_2n1a 1
40 . . . . . . . . . . . . . . . . -0.080984 . . . . . 208 . N . 208 . HN parsed_2n1a 1
41 . . . . . . . . . . . . . . . . 6.363070 . . . . . 209 . N . 209 . HN parsed_2n1a 1
42 . . . . . . . . . . . . . . . . 11.530500 . . . . . 210 . N . 210 . HN parsed_2n1a 1
43 . . . . . . . . . . . . . . . . -5.856320 . . . . . 211 . N . 211 . HN parsed_2n1a 1
44 . . . . . . . . . . . . . . . . 0.648532 . . . . . 212 . N . 212 . HN parsed_2n1a 1
45 . . . . . . . . . . . . . . . . 10.922500 . . . . . 213 . N . 213 . HN parsed_2n1a 1
46 . . . . . . . . . . . . . . . . 6.423870 . . . . . 214 . N . 214 . HN parsed_2n1a 1
47 . . . . . . . . . . . . . . . . -1.296840 . . . . . 215 . N . 215 . HN parsed_2n1a 1
48 . . . . . . . . . . . . . . . . 10.071400 . . . . . 217 . N . 217 . HN parsed_2n1a 1
49 . . . . . . . . . . . . . . . . 3.019460 . . . . . 218 . N . 218 . HN parsed_2n1a 1
50 . . . . . . . . . . . . . . . . 6.606250 . . . . . 219 . N . 219 . HN parsed_2n1a 1
51 . . . . . . . . . . . . . . . . 5.876730 . . . . . 220 . N . 220 . HN parsed_2n1a 1
52 . . . . . . . . . . . . . . . . 0.709325 . . . . . 221 . N . 221 . HN parsed_2n1a 1
53 . . . . . . . . . . . . . . . . 10.132200 . . . . . 222 . N . 222 . HN parsed_2n1a 1
54 . . . . . . . . . . . . . . . . 0.040602 . . . . . 223 . N . 223 . HN parsed_2n1a 1
55 . . . . . . . . . . . . . . . . 0.222981 . . . . . 224 . N . 224 . HN parsed_2n1a 1
56 . . . . . . . . . . . . . . . . -7.801700 . . . . . 225 . N . 225 . HN parsed_2n1a 1
57 . . . . . . . . . . . . . . . . 2.533110 . . . . . 226 . N . 226 . HN parsed_2n1a 1
58 . . . . . . . . . . . . . . . . 1.682010 . . . . . 227 . N . 227 . HN parsed_2n1a 1
59 . . . . . . . . . . . . . . . . 9.463520 . . . . . 228 . N . 228 . HN parsed_2n1a 1
60 . . . . . . . . . . . . . . . . 4.843250 . . . . . 229 . N . 229 . HN parsed_2n1a 1
61 . . . . . . . . . . . . . . . . 4.904040 . . . . . 230 . N . 230 . HN parsed_2n1a 1
62 . . . . . . . . . . . . . . . . -1.661600 . . . . . 231 . N . 231 . HN parsed_2n1a 1
63 . . . . . . . . . . . . . . . . -0.932086 . . . . . 233 . N . 233 . HN parsed_2n1a 1
64 . . . . . . . . . . . . . . . . 2.654700 . . . . . 234 . N . 234 . HN parsed_2n1a 1
65 . . . . . . . . . . . . . . . . 2.593910 . . . . . 235 . N . 235 . HN parsed_2n1a 1
66 . . . . . . . . . . . . . . . . 6.545450 . . . . . 236 . N . 236 . HN parsed_2n1a 1
67 . . . . . . . . . . . . . . . . 2.593910 . . . . . 237 . N . 237 . HN parsed_2n1a 1
68 . . . . . . . . . . . . . . . . 0.040602 . . . . . 238 . N . 238 . HN parsed_2n1a 1
69 . . . . . . . . . . . . . . . . 1.256460 . . . . . 239 . N . 239 . HN parsed_2n1a 1
70 . . . . . . . . . . . . . . . . -0.384949 . . . . . 240 . N . 240 . HN parsed_2n1a 1
71 . . . . . . . . . . . . . . . . 0.222981 . . . . . 241 . N . 241 . HN parsed_2n1a 1
72 . . . . . . . . . . . . . . . . 7.639730 . . . . . 242 . N . 242 . HN parsed_2n1a 1
73 . . . . . . . . . . . . . . . . 3.566600 . . . . . 243 . N . 243 . HN parsed_2n1a 1
74 . . . . . . . . . . . . . . . . -1.965570 . . . . . 244 . N . 244 . HN parsed_2n1a 1
75 . . . . . . . . . . . . . . . . -0.871293 . . . . . 245 . N . 245 . HN parsed_2n1a 1
76 . . . . . . . . . . . . . . . . 6.363070 . . . . . 246 . N . 246 . HN parsed_2n1a 1
77 . . . . . . . . . . . . . . . . 4.356900 . . . . . 247 . N . 247 . HN parsed_2n1a 1
78 . . . . . . . . . . . . . . . . 7.578930 . . . . . 248 . N . 248 . HN parsed_2n1a 1
79 . . . . . . . . . . . . . . . . 3.080250 . . . . . 249 . N . 249 . HN parsed_2n1a 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
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 12 and name N )
( resid 12 and name HN ) 1.013290 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 13 and name N )
( resid 13 and name HN ) 0.101395 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 16 and name N )
( resid 16 and name HN ) 2.472320 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) 2.046770 0.2000
;
1 1 27 43 parsed_2n1a 1
2
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 96 and name N )
( resid 96 and name HN ) 0.830911 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 98 and name N )
( resid 98 and name HN ) 2.837080 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 99 and name N )
( resid 99 and name HN ) 2.046770 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 202 and name N )
( resid 202 and name HN ) -6.889800 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 205 and name N )
( resid 205 and name HN ) -0.080984 0.2000
;
288 1 321 45 parsed_2n1a 1
3
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 250 and name N )
( resid 250 and name HN ) 1.134880 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 251 and name N )
( resid 251 and name HN ) 0.162188 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 253 and name N )
( resid 253 and name HN ) 0.891704 0.2000
;
617 1 636 44 parsed_2n1a 1
stop_
save_
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