NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
576181 |
2mkv   |
19797 | cing | 2-parsed | STAR | dipolar coupling | 60 |
data_2mkv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mkv
_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_2mkv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mkv
_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 2mkv "Master copy" parsed_2mkv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mkv
_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 2mkv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 38 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 5 distance PRE "Not applicable" 0 parsed_2mkv 1
1 2mkv.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mkv 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mkv
_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 . . . . . . . . . . . . . . . . -0.050 . . . . . 2 . N . 2 . HN parsed_2mkv 1
2 . . . . . . . . . . . . . . . . -0.580 . . . . . 3 . N . 3 . HN parsed_2mkv 1
3 . . . . . . . . . . . . . . . . 0.470 . . . . . 4 . N . 4 . HN parsed_2mkv 1
4 . . . . . . . . . . . . . . . . 0.230 . . . . . 5 . N . 5 . HN parsed_2mkv 1
5 . . . . . . . . . . . . . . . . -0.950 . . . . . 6 . N . 6 . HN parsed_2mkv 1
6 . . . . . . . . . . . . . . . . -0.140 . . . . . 7 . N . 7 . HN parsed_2mkv 1
7 . . . . . . . . . . . . . . . . 0.500 . . . . . 8 . N . 8 . HN parsed_2mkv 1
8 . . . . . . . . . . . . . . . . -0.520 . . . . . 9 . N . 9 . HN parsed_2mkv 1
9 . . . . . . . . . . . . . . . . -0.040 . . . . . 11 . N . 11 . HN parsed_2mkv 1
10 . . . . . . . . . . . . . . . . -0.680 . . . . . 12 . N . 12 . HN parsed_2mkv 1
11 . . . . . . . . . . . . . . . . -0.710 . . . . . 13 . N . 13 . HN parsed_2mkv 1
12 . . . . . . . . . . . . . . . . -2.350 . . . . . 14 . N . 14 . HN parsed_2mkv 1
13 . . . . . . . . . . . . . . . . -0.920 . . . . . 15 . N . 15 . HN parsed_2mkv 1
14 . . . . . . . . . . . . . . . . -1.110 . . . . . 17 . N . 17 . HN parsed_2mkv 1
15 . . . . . . . . . . . . . . . . -1.810 . . . . . 18 . N . 18 . HN parsed_2mkv 1
16 . . . . . . . . . . . . . . . . -1.200 . . . . . 19 . N . 19 . HN parsed_2mkv 1
17 . . . . . . . . . . . . . . . . -1.130 . . . . . 20 . N . 20 . HN parsed_2mkv 1
18 . . . . . . . . . . . . . . . . -1.080 . . . . . 21 . N . 21 . HN parsed_2mkv 1
19 . . . . . . . . . . . . . . . . 2.760 . . . . . 22 . N . 22 . HN parsed_2mkv 1
20 . . . . . . . . . . . . . . . . 1.840 . . . . . 23 . N . 23 . HN parsed_2mkv 1
21 . . . . . . . . . . . . . . . . 0.570 . . . . . 24 . N . 24 . HN parsed_2mkv 1
22 . . . . . . . . . . . . . . . . 0.900 . . . . . 25 . N . 25 . HN parsed_2mkv 1
23 . . . . . . . . . . . . . . . . -3.050 . . . . . 26 . N . 26 . HN parsed_2mkv 1
24 . . . . . . . . . . . . . . . . 2.030 . . . . . 27 . N . 27 . HN parsed_2mkv 1
25 . . . . . . . . . . . . . . . . -1.910 . . . . . 28 . N . 28 . HN parsed_2mkv 1
26 . . . . . . . . . . . . . . . . -7.240 . . . . . 29 . N . 29 . HN parsed_2mkv 1
27 . . . . . . . . . . . . . . . . -5.980 . . . . . 30 . N . 30 . HN parsed_2mkv 1
28 . . . . . . . . . . . . . . . . 1.330 . . . . . 31 . N . 31 . HN parsed_2mkv 1
29 . . . . . . . . . . . . . . . . -6.040 . . . . . 32 . N . 32 . HN parsed_2mkv 1
30 . . . . . . . . . . . . . . . . -11.440 . . . . . 33 . N . 33 . HN parsed_2mkv 1
31 . . . . . . . . . . . . . . . . -1.740 . . . . . 34 . N . 34 . HN parsed_2mkv 1
32 . . . . . . . . . . . . . . . . -8.150 . . . . . 35 . N . 35 . HN parsed_2mkv 1
33 . . . . . . . . . . . . . . . . -8.760 . . . . . 36 . N . 36 . HN parsed_2mkv 1
34 . . . . . . . . . . . . . . . . -10.140 . . . . . 37 . N . 37 . HN parsed_2mkv 1
35 . . . . . . . . . . . . . . . . -5.240 . . . . . 38 . N . 38 . HN parsed_2mkv 1
36 . . . . . . . . . . . . . . . . -8.310 . . . . . 39 . N . 39 . HN parsed_2mkv 1
37 . . . . . . . . . . . . . . . . -10.800 . . . . . 40 . N . 40 . HN parsed_2mkv 1
38 . . . . . . . . . . . . . . . . -10.680 . . . . . 41 . N . 41 . HN parsed_2mkv 1
39 . . . . . . . . . . . . . . . . -6.620 . . . . . 42 . N . 42 . HN parsed_2mkv 1
40 . . . . . . . . . . . . . . . . -11.830 . . . . . 43 . N . 43 . HN parsed_2mkv 1
41 . . . . . . . . . . . . . . . . -11.710 . . . . . 44 . N . 44 . HN parsed_2mkv 1
42 . . . . . . . . . . . . . . . . -1.730 . . . . . 45 . N . 45 . HN parsed_2mkv 1
43 . . . . . . . . . . . . . . . . -7.130 . . . . . 46 . N . 46 . HN parsed_2mkv 1
44 . . . . . . . . . . . . . . . . -11.390 . . . . . 47 . N . 47 . HN parsed_2mkv 1
45 . . . . . . . . . . . . . . . . -0.790 . . . . . 48 . N . 48 . HN parsed_2mkv 1
46 . . . . . . . . . . . . . . . . -2.320 . . . . . 49 . N . 49 . HN parsed_2mkv 1
47 . . . . . . . . . . . . . . . . -1.390 . . . . . 50 . N . 50 . HN parsed_2mkv 1
48 . . . . . . . . . . . . . . . . -2.330 . . . . . 51 . N . 51 . HN parsed_2mkv 1
49 . . . . . . . . . . . . . . . . 0.910 . . . . . 52 . N . 52 . HN parsed_2mkv 1
50 . . . . . . . . . . . . . . . . 0.380 . . . . . 53 . N . 53 . HN parsed_2mkv 1
51 . . . . . . . . . . . . . . . . -0.290 . . . . . 54 . N . 54 . HN parsed_2mkv 1
52 . . . . . . . . . . . . . . . . -0.440 . . . . . 55 . N . 55 . HN parsed_2mkv 1
53 . . . . . . . . . . . . . . . . -0.100 . . . . . 56 . N . 56 . HN parsed_2mkv 1
54 . . . . . . . . . . . . . . . . 0.950 . . . . . 57 . N . 57 . HN parsed_2mkv 1
55 . . . . . . . . . . . . . . . . -1.530 . . . . . 58 . N . 58 . HN parsed_2mkv 1
56 . . . . . . . . . . . . . . . . -0.460 . . . . . 59 . N . 59 . HN parsed_2mkv 1
57 . . . . . . . . . . . . . . . . -1.010 . . . . . 60 . N . 60 . HN parsed_2mkv 1
58 . . . . . . . . . . . . . . . . -0.630 . . . . . 61 . N . 61 . HN parsed_2mkv 1
59 . . . . . . . . . . . . . . . . -0.770 . . . . . 62 . N . 62 . HN parsed_2mkv 1
60 . . . . . . . . . . . . . . . . -0.490 . . . . . 63 . N . 63 . HN parsed_2mkv 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
;
! NH dipolar couplings from 6.5% stressed gel
!###########################################################################
! 2 D
;
1 1 3 9 parsed_2mkv 1
2 "! 3 R" 10 1 10 9 parsed_2mkv 1
3 "! 4 W" 17 1 17 9 parsed_2mkv 1
4 "! 5 Y" 24 1 24 9 parsed_2mkv 1
5 "! 6 L" 31 1 31 9 parsed_2mkv 1
6 "! 7 G" 38 1 38 9 parsed_2mkv 1
7 "! 8 G" 45 1 45 9 parsed_2mkv 1
8 "! 9 S" 52 1 52 9 parsed_2mkv 1
9 "! 11 K" 59 1 59 9 parsed_2mkv 1
10 "! 12 G" 66 1 66 9 parsed_2mkv 1
11 "! 13 D" 73 1 73 9 parsed_2mkv 1
12 "! 14 V" 80 1 80 9 parsed_2mkv 1
13 "! 15 D" 87 1 87 9 parsed_2mkv 1
14 "! 17 F" 94 1 94 9 parsed_2mkv 1
15 "! 18 Y" 101 1 101 9 parsed_2mkv 1
16 "! 19 Y" 108 1 108 9 parsed_2mkv 1
17 "! 20 D" 115 1 115 9 parsed_2mkv 1
18 "! 21 Y" 122 1 122 9 parsed_2mkv 1
19 "! 22 E" 129 1 129 9 parsed_2mkv 1
20 "! 23 T" 136 1 136 9 parsed_2mkv 1
21 "! 24 V" 143 1 143 9 parsed_2mkv 1
22 "! 25 R" 150 1 150 9 parsed_2mkv 1
23 "! 26 N" 157 1 157 9 parsed_2mkv 1
24 "! 27 G" 164 1 164 9 parsed_2mkv 1
25 "! 28 G" 171 1 171 9 parsed_2mkv 1
26 "! 29 L" 178 1 178 9 parsed_2mkv 1
27 "! 30 I" 185 1 185 9 parsed_2mkv 1
28 "! 31 F" 192 1 192 9 parsed_2mkv 1
29 "! 32 A" 199 1 199 9 parsed_2mkv 1
30 "! 33 G" 206 1 206 9 parsed_2mkv 1
31 "! 34 L" 213 1 213 9 parsed_2mkv 1
32 "! 35 A" 220 1 220 9 parsed_2mkv 1
33 "! 36 F" 227 1 227 9 parsed_2mkv 1
34 "! 37 I" 234 1 234 9 parsed_2mkv 1
35 "! 38 V" 241 1 241 9 parsed_2mkv 1
36 "! 39 G" 248 1 248 9 parsed_2mkv 1
37 "! 40 L" 255 1 255 9 parsed_2mkv 1
38 "! 41 L" 262 1 262 9 parsed_2mkv 1
39 "! 42 I" 269 1 269 9 parsed_2mkv 1
40 "! 43 L" 276 1 276 9 parsed_2mkv 1
41 "! 44 L" 283 1 283 9 parsed_2mkv 1
42 "! 45 S" 290 1 290 9 parsed_2mkv 1
43 "! 46 R" 297 1 297 9 parsed_2mkv 1
44 "! 47 R" 304 1 304 9 parsed_2mkv 1
45 "! 48 F" 311 1 311 9 parsed_2mkv 1
46 "! 49 R" 318 1 318 9 parsed_2mkv 1
47 "! 50 S" 325 1 325 9 parsed_2mkv 1
48 "! 51 G" 332 1 332 9 parsed_2mkv 1
49 "! 52 G" 339 1 339 9 parsed_2mkv 1
50 "! 53 N" 346 1 346 9 parsed_2mkv 1
51 "! 54 K" 353 1 353 9 parsed_2mkv 1
52 "! 55 K" 360 1 360 9 parsed_2mkv 1
53 "! 56 R" 367 1 367 9 parsed_2mkv 1
54 "! 57 R" 374 1 374 9 parsed_2mkv 1
55 "! 58 Q" 381 1 381 9 parsed_2mkv 1
56 "! 59 I" 388 1 388 9 parsed_2mkv 1
57 "! 60 N" 395 1 395 9 parsed_2mkv 1
58 "! 61 E" 402 1 402 9 parsed_2mkv 1
59 "! 62 D" 409 1 409 9 parsed_2mkv 1
60 "! 63 E" 416 1 416 9 parsed_2mkv 1
stop_
save_
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