NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
463141 |
2rlk   |
cing | 2-parsed | STAR | dipolar coupling | 59 |
data_2rlk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rlk
_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_2rlk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rlk
_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 2rlk "Master copy" parsed_2rlk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rlk
_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 2rlk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rlk 1
1 2rlk.mr . . DYANA/DIANA 2 distance NOE simple 381 parsed_2rlk 1
1 2rlk.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 59 parsed_2rlk 1
1 2rlk.mr . . DYANA/DIANA 4 "dihedral combo" ambi "Not applicable" 0 parsed_2rlk 1
1 2rlk.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rlk 1
1 2rlk.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rlk 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rlk
_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 . . . . . . . . . . . . . . . . -6.980 . . 1.000 . . 6 GLU H . 6 GLU N parsed_2rlk 1
2 . . . . . . . . . . . . . . . . 1.510 . . 1.000 . . 7 ALA H . 7 ALA N parsed_2rlk 1
3 . . . . . . . . . . . . . . . . -5.860 . . 1.000 . . 9 GLY H . 9 GLY N parsed_2rlk 1
4 . . . . . . . . . . . . . . . . 0.160 . . 1.000 . . 10 GLU H . 10 GLU N parsed_2rlk 1
5 . . . . . . . . . . . . . . . . -3.070 . . 1.000 . . 11 ASP H . 11 ASP N parsed_2rlk 1
6 . . . . . . . . . . . . . . . . 0.640 . . 1.000 . . 12 ALA H . 12 ALA N parsed_2rlk 1
7 . . . . . . . . . . . . . . . . -8.400 . . 1.000 . . 13 SER H . 13 SER N parsed_2rlk 1
8 . . . . . . . . . . . . . . . . 6.820 . . 1.000 . . 15 GLU H . 15 GLU N parsed_2rlk 1
9 . . . . . . . . . . . . . . . . 8.080 . . 1.000 . . 16 GLU H . 16 GLU N parsed_2rlk 1
10 . . . . . . . . . . . . . . . . 9.090 . . 1.000 . . 17 LEU H . 17 LEU N parsed_2rlk 1
11 . . . . . . . . . . . . . . . . 7.940 . . 1.000 . . 18 SER H . 18 SER N parsed_2rlk 1
12 . . . . . . . . . . . . . . . . 9.670 . . 1.000 . . 20 TYR H . 20 TYR N parsed_2rlk 1
13 . . . . . . . . . . . . . . . . 9.670 . . 1.000 . . 21 TYR H . 21 TYR N parsed_2rlk 1
14 . . . . . . . . . . . . . . . . 9.080 . . 1.000 . . 22 ALA H . 22 ALA N parsed_2rlk 1
15 . . . . . . . . . . . . . . . . 8.840 . . 1.000 . . 23 SER H . 23 SER N parsed_2rlk 1
16 . . . . . . . . . . . . . . . . 8.980 . . 1.000 . . 24 LEU H . 24 LEU N parsed_2rlk 1
17 . . . . . . . . . . . . . . . . 7.430 . . 1.000 . . 25 ARG H . 25 ARG N parsed_2rlk 1
18 . . . . . . . . . . . . . . . . 6.840 . . 1.000 . . 26 HIS H . 26 HIS N parsed_2rlk 1
19 . . . . . . . . . . . . . . . . 8.460 . . 1.000 . . 27 TYR H . 27 TYR N parsed_2rlk 1
20 . . . . . . . . . . . . . . . . 7.530 . . 1.000 . . 28 LEU H . 28 LEU N parsed_2rlk 1
21 . . . . . . . . . . . . . . . . 4.740 . . 1.000 . . 29 ASN H . 29 ASN N parsed_2rlk 1
22 . . . . . . . . . . . . . . . . 6.540 . . 1.000 . . 30 LEU H . 30 LEU N parsed_2rlk 1
23 . . . . . . . . . . . . . . . . 5.350 . . 1.000 . . 31 VAL H . 31 VAL N parsed_2rlk 1
24 . . . . . . . . . . . . . . . . -2.490 . . 1.000 . . 32 THR H . 32 THR N parsed_2rlk 1
25 . . . . . . . . . . . . . . . . 3.675 . . 1.000 . . 6 GLU HA . 6 GLU CA parsed_2rlk 1
26 . . . . . . . . . . . . . . . . -9.457 . . 1.000 . . 10 GLU HA . 10 GLU CA parsed_2rlk 1
27 . . . . . . . . . . . . . . . . -1.986 . . 1.000 . . 12 ALA HA . 12 ALA CA parsed_2rlk 1
28 . . . . . . . . . . . . . . . . -0.108 . . 1.000 . . 14 PRO HA . 14 PRO CA parsed_2rlk 1
29 . . . . . . . . . . . . . . . . -4.977 . . 1.000 . . 20 TYR HA . 20 TYR CA parsed_2rlk 1
30 . . . . . . . . . . . . . . . . -4.560 . . 1.000 . . 21 TYR HA . 21 TYR CA parsed_2rlk 1
31 . . . . . . . . . . . . . . . . -11.066 . . 1.000 . . 22 ALA HA . 22 ALA CA parsed_2rlk 1
32 . . . . . . . . . . . . . . . . -2.913 . . 1.000 . . 26 HIS HA . 26 HIS CA parsed_2rlk 1
33 . . . . . . . . . . . . . . . . -1.367 . . 1.000 . . 27 TYR HA . 27 TYR CA parsed_2rlk 1
34 . . . . . . . . . . . . . . . . -10.394 . . 1.000 . . 29 ASN HA . 29 ASN CA parsed_2rlk 1
35 . . . . . . . . . . . . . . . . -0.110 . . 0.250 . . 6 GLU CA . 6 GLU C parsed_2rlk 1
36 . . . . . . . . . . . . . . . . 0.040 . . 0.250 . . 7 ALA CA . 7 ALA C parsed_2rlk 1
37 . . . . . . . . . . . . . . . . -1.490 . . 0.250 . . 9 GLY CA . 9 GLY C parsed_2rlk 1
38 . . . . . . . . . . . . . . . . 0.920 . . 0.250 . . 10 GLU CA . 10 GLU C parsed_2rlk 1
39 . . . . . . . . . . . . . . . . -1.670 . . 0.250 . . 11 ASP CA . 11 ASP C parsed_2rlk 1
40 . . . . . . . . . . . . . . . . 1.010 . . 0.250 . . 12 ALA CA . 12 ALA C parsed_2rlk 1
41 . . . . . . . . . . . . . . . . -1.650 . . 0.250 . . 13 SER CA . 13 SER C parsed_2rlk 1
42 . . . . . . . . . . . . . . . . -0.460 . . 0.250 . . 15 GLU CA . 15 GLU C parsed_2rlk 1
43 . . . . . . . . . . . . . . . . -0.330 . . 0.250 . . 16 GLU CA . 16 GLU C parsed_2rlk 1
44 . . . . . . . . . . . . . . . . 2.100 . . 0.250 . . 17 LEU CA . 17 LEU C parsed_2rlk 1
45 . . . . . . . . . . . . . . . . -0.090 . . 0.250 . . 18 SER CA . 18 SER C parsed_2rlk 1
46 . . . . . . . . . . . . . . . . -2.000 . . 0.250 . . 19 ARG CA . 19 ARG C parsed_2rlk 1
47 . . . . . . . . . . . . . . . . -2.890 . . 0.250 . . 20 TYR CA . 20 TYR C parsed_2rlk 1
48 . . . . . . . . . . . . . . . . 1.540 . . 0.250 . . 21 TYR CA . 21 TYR C parsed_2rlk 1
49 . . . . . . . . . . . . . . . . -1.000 . . 0.250 . . 22 ALA CA . 22 ALA C parsed_2rlk 1
50 . . . . . . . . . . . . . . . . -0.430 . . 0.250 . . 23 SER CA . 23 SER C parsed_2rlk 1
51 . . . . . . . . . . . . . . . . 4.060 . . 0.250 . . 24 LEU CA . 24 LEU C parsed_2rlk 1
52 . . . . . . . . . . . . . . . . -0.140 . . 0.250 . . 25 ARG CA . 25 ARG C parsed_2rlk 1
53 . . . . . . . . . . . . . . . . -0.040 . . 0.250 . . 26 HIS CA . 26 HIS C parsed_2rlk 1
54 . . . . . . . . . . . . . . . . -0.260 . . 0.250 . . 27 TYR CA . 27 TYR C parsed_2rlk 1
55 . . . . . . . . . . . . . . . . -0.490 . . 0.250 . . 28 LEU CA . 28 LEU C parsed_2rlk 1
56 . . . . . . . . . . . . . . . . 0.010 . . 0.250 . . 29 ASN CA . 29 ASN C parsed_2rlk 1
57 . . . . . . . . . . . . . . . . 0.900 . . 0.250 . . 30 LEU CA . 30 LEU C parsed_2rlk 1
58 . . . . . . . . . . . . . . . . 0.300 . . 0.250 . . 31 VAL CA . 31 VAL C parsed_2rlk 1
59 . . . . . . . . . . . . . . . . -0.170 . . 0.250 . . 32 THR CA . 32 THR C parsed_2rlk 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 1 1 70 1 71 parsed_2rlk 1
2 1 2 70 2 71 parsed_2rlk 1
3 1 3 70 3 71 parsed_2rlk 1
4 1 4 70 4 71 parsed_2rlk 1
5 1 5 70 5 71 parsed_2rlk 1
6 1 6 70 6 71 parsed_2rlk 1
7 1 7 70 7 71 parsed_2rlk 1
8 1 8 70 8 71 parsed_2rlk 1
9 1 9 70 9 71 parsed_2rlk 1
10 1 10 70 10 71 parsed_2rlk 1
11 1 11 70 11 71 parsed_2rlk 1
12 1 12 70 12 71 parsed_2rlk 1
13 1 13 70 13 71 parsed_2rlk 1
14 1 14 70 14 71 parsed_2rlk 1
15 1 15 70 15 71 parsed_2rlk 1
16 1 16 70 16 71 parsed_2rlk 1
17 1 17 70 17 71 parsed_2rlk 1
18 1 18 70 18 71 parsed_2rlk 1
19 1 19 70 19 71 parsed_2rlk 1
20 1 20 70 20 71 parsed_2rlk 1
21 1 21 70 21 71 parsed_2rlk 1
22 1 22 70 22 71 parsed_2rlk 1
23 1 23 70 23 71 parsed_2rlk 1
24 1 24 70 24 71 parsed_2rlk 1
25 1 25 70 25 71 parsed_2rlk 1
26 1 26 70 26 71 parsed_2rlk 1
27 1 27 70 27 71 parsed_2rlk 1
28 1 28 70 28 71 parsed_2rlk 1
29 1 29 70 29 71 parsed_2rlk 1
30 1 30 70 30 71 parsed_2rlk 1
31 1 31 70 31 71 parsed_2rlk 1
32 1 32 70 32 71 parsed_2rlk 1
33 1 33 70 33 71 parsed_2rlk 1
34 1 34 70 34 71 parsed_2rlk 1
35 1 35 70 35 71 parsed_2rlk 1
36 1 36 70 36 71 parsed_2rlk 1
37 1 37 70 37 71 parsed_2rlk 1
38 1 38 70 38 71 parsed_2rlk 1
39 1 39 70 39 71 parsed_2rlk 1
40 1 40 70 40 71 parsed_2rlk 1
41 1 41 70 41 71 parsed_2rlk 1
42 1 42 70 42 71 parsed_2rlk 1
43 1 43 70 43 71 parsed_2rlk 1
44 1 44 70 44 71 parsed_2rlk 1
45 1 45 70 45 71 parsed_2rlk 1
46 1 46 70 46 71 parsed_2rlk 1
47 1 47 70 47 71 parsed_2rlk 1
48 1 48 70 48 71 parsed_2rlk 1
49 1 49 70 49 71 parsed_2rlk 1
50 1 50 70 50 71 parsed_2rlk 1
51 1 51 70 51 71 parsed_2rlk 1
52 1 52 70 52 71 parsed_2rlk 1
53 1 53 70 53 71 parsed_2rlk 1
54 1 54 70 54 71 parsed_2rlk 1
55 1 55 70 55 71 parsed_2rlk 1
56 1 56 70 56 71 parsed_2rlk 1
57 1 57 70 57 71 parsed_2rlk 1
58 1 58 70 58 71 parsed_2rlk 1
59
;
1
;
59 70 60 1 parsed_2rlk 1
stop_
save_
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