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 | subtype | item_count |
|
|
574321 |
2mi8   |
19670 | cing | 2-parsed | STAR | entry | full | 70 |
data_2mi8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mi8
_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_2mi8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mi8
_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 2mi8 "Master copy" parsed_2mi8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mi8
_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 2mi8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mi8 1
1 2mi8.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 70 parsed_2mi8 1
1 2mi8.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mi8 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2mi8
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER SIGNALING PROTEIN 09-DEC-13 2MI8
*TITLE SOLUTION STRUCTURE OF LYSINE-FREE (K0) UBIQUITIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: UBIQUITIN;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: UBC;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET
*KEYWDS SIGNALING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR T.HUANG, J.R.LI, A.R.BYRD
*REVDAT 1 02-APR-14 2MI8 0
DATA SEQUENCE MQIFVRTLTG RTITLEVEPS DTIENVRARI QDREGIPPDQ QRLIFAGRQL
DATA SEQUENCE EDGRTLSDYN IQRESTLHLV LRLRGG
VARS RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d %6s %6s %5d %6s %6s %9.3f %9.3f %.2f
;
save_
save_DYANA/DIANA_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mi8
_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 . . . . . . . . . . . . . . . . -10.330 . . 1.000 . . 2 GLN N . 2 GLN HN parsed_2mi8 1
2 . . . . . . . . . . . . . . . . 9.230 . . 1.000 . . 3 ILE N . 3 ILE HN parsed_2mi8 1
3 . . . . . . . . . . . . . . . . 8.360 . . 1.000 . . 4 PHE N . 4 PHE HN parsed_2mi8 1
4 . . . . . . . . . . . . . . . . 3.340 . . 1.000 . . 5 VAL N . 5 VAL HN parsed_2mi8 1
5 . . . . . . . . . . . . . . . . 4.470 . . 1.000 . . 6 ARG N . 6 ARG HN parsed_2mi8 1
6 . . . . . . . . . . . . . . . . -5.770 . . 1.000 . . 7 THR N . 7 THR HN parsed_2mi8 1
7 . . . . . . . . . . . . . . . . 4.460 . . 1.000 . . 8 LEU N . 8 LEU HN parsed_2mi8 1
8 . . . . . . . . . . . . . . . . 9.530 . . 1.000 . . 9 THR N . 9 THR HN parsed_2mi8 1
9 . . . . . . . . . . . . . . . . 3.640 . . 1.000 . . 10 GLY N . 10 GLY HN parsed_2mi8 1
10 . . . . . . . . . . . . . . . . -12.790 . . 1.000 . . 11 ARG N . 11 ARG HN parsed_2mi8 1
11 . . . . . . . . . . . . . . . . -1.260 . . 1.000 . . 12 THR N . 12 THR HN parsed_2mi8 1
12 . . . . . . . . . . . . . . . . -1.120 . . 1.000 . . 13 ILE N . 13 ILE HN parsed_2mi8 1
13 . . . . . . . . . . . . . . . . 7.850 . . 1.000 . . 14 THR N . 14 THR HN parsed_2mi8 1
14 . . . . . . . . . . . . . . . . 9.860 . . 1.000 . . 15 LEU N . 15 LEU HN parsed_2mi8 1
15 . . . . . . . . . . . . . . . . 4.530 . . 1.000 . . 16 GLU N . 16 GLU HN parsed_2mi8 1
16 . . . . . . . . . . . . . . . . 0.140 . . 1.000 . . 17 VAL N . 17 VAL HN parsed_2mi8 1
17 . . . . . . . . . . . . . . . . -15.320 . . 1.000 . . 18 GLU N . 18 GLU HN parsed_2mi8 1
18 . . . . . . . . . . . . . . . . -10.070 . . 1.000 . . 20 SER N . 20 SER HN parsed_2mi8 1
19 . . . . . . . . . . . . . . . . -1.650 . . 1.000 . . 21 ASP N . 21 ASP HN parsed_2mi8 1
20 . . . . . . . . . . . . . . . . 13.930 . . 1.000 . . 22 THR N . 22 THR HN parsed_2mi8 1
21 . . . . . . . . . . . . . . . . 6.490 . . 1.000 . . 23 ILE N . 23 ILE HN parsed_2mi8 1
22 . . . . . . . . . . . . . . . . 3.230 . . 1.000 . . 25 ASN N . 25 ASN HN parsed_2mi8 1
23 . . . . . . . . . . . . . . . . 4.950 . . 1.000 . . 26 VAL N . 26 VAL HN parsed_2mi8 1
24 . . . . . . . . . . . . . . . . 9.130 . . 1.000 . . 27 ARG N . 27 ARG HN parsed_2mi8 1
25 . . . . . . . . . . . . . . . . 4.550 . . 1.000 . . 28 ALA N . 28 ALA HN parsed_2mi8 1
26 . . . . . . . . . . . . . . . . 5.810 . . 1.000 . . 29 ARG N . 29 ARG HN parsed_2mi8 1
27 . . . . . . . . . . . . . . . . 3.620 . . 1.000 . . 30 ILE N . 30 ILE HN parsed_2mi8 1
28 . . . . . . . . . . . . . . . . 5.630 . . 1.000 . . 31 GLN N . 31 GLN HN parsed_2mi8 1
29 . . . . . . . . . . . . . . . . 2.650 . . 1.000 . . 32 ASP N . 32 ASP HN parsed_2mi8 1
30 . . . . . . . . . . . . . . . . 5.230 . . 1.000 . . 33 ARG N . 33 ARG HN parsed_2mi8 1
31 . . . . . . . . . . . . . . . . 6.250 . . 1.000 . . 34 GLU N . 34 GLU HN parsed_2mi8 1
32 . . . . . . . . . . . . . . . . -2.240 . . 1.000 . . 35 GLY N . 35 GLY HN parsed_2mi8 1
33 . . . . . . . . . . . . . . . . -16.570 . . 1.000 . . 36 ILE N . 36 ILE HN parsed_2mi8 1
34 . . . . . . . . . . . . . . . . 8.980 . . 1.000 . . 39 ASP N . 39 ASP HN parsed_2mi8 1
35 . . . . . . . . . . . . . . . . -1.450 . . 1.000 . . 40 GLN N . 40 GLN HN parsed_2mi8 1
36 . . . . . . . . . . . . . . . . 14.070 . . 1.000 . . 41 GLN N . 41 GLN HN parsed_2mi8 1
37 . . . . . . . . . . . . . . . . 10.420 . . 1.000 . . 42 ARG N . 42 ARG HN parsed_2mi8 1
38 . . . . . . . . . . . . . . . . 6.990 . . 1.000 . . 43 LEU N . 43 LEU HN parsed_2mi8 1
39 . . . . . . . . . . . . . . . . 4.300 . . 1.000 . . 44 ILE N . 44 ILE HN parsed_2mi8 1
40 . . . . . . . . . . . . . . . . -3.590 . . 1.000 . . 45 PHE N . 45 PHE HN parsed_2mi8 1
41 . . . . . . . . . . . . . . . . -0.170 . . 1.000 . . 46 ALA N . 46 ALA HN parsed_2mi8 1
42 . . . . . . . . . . . . . . . . 5.970 . . 1.000 . . 47 GLY N . 47 GLY HN parsed_2mi8 1
43 . . . . . . . . . . . . . . . . -16.490 . . 1.000 . . 48 ARG N . 48 ARG HN parsed_2mi8 1
44 . . . . . . . . . . . . . . . . -2.430 . . 1.000 . . 49 GLN N . 49 GLN HN parsed_2mi8 1
45 . . . . . . . . . . . . . . . . 6.290 . . 1.000 . . 50 LEU N . 50 LEU HN parsed_2mi8 1
46 . . . . . . . . . . . . . . . . -5.060 . . 1.000 . . 51 GLU N . 51 GLU HN parsed_2mi8 1
47 . . . . . . . . . . . . . . . . -17.830 . . 1.000 . . 52 ASP N . 52 ASP HN parsed_2mi8 1
48 . . . . . . . . . . . . . . . . 1.600 . . 1.000 . . 54 ARG N . 54 ARG HN parsed_2mi8 1
49 . . . . . . . . . . . . . . . . 6.960 . . 1.000 . . 55 THR N . 55 THR HN parsed_2mi8 1
50 . . . . . . . . . . . . . . . . 10.960 . . 1.000 . . 56 LEU N . 56 LEU HN parsed_2mi8 1
51 . . . . . . . . . . . . . . . . 13.440 . . 1.000 . . 57 SER N . 57 SER HN parsed_2mi8 1
52 . . . . . . . . . . . . . . . . 8.880 . . 1.000 . . 58 ASP N . 58 ASP HN parsed_2mi8 1
53 . . . . . . . . . . . . . . . . 7.170 . . 1.000 . . 59 TYR N . 59 TYR HN parsed_2mi8 1
54 . . . . . . . . . . . . . . . . 12.850 . . 1.000 . . 60 ASN N . 60 ASN HN parsed_2mi8 1
55 . . . . . . . . . . . . . . . . 7.480 . . 1.000 . . 61 ILE N . 61 ILE HN parsed_2mi8 1
56 . . . . . . . . . . . . . . . . 8.850 . . 1.000 . . 62 GLN N . 62 GLN HN parsed_2mi8 1
57 . . . . . . . . . . . . . . . . -3.700 . . 1.000 . . 63 ARG N . 63 ARG HN parsed_2mi8 1
58 . . . . . . . . . . . . . . . . 12.080 . . 1.000 . . 64 GLU N . 64 GLU HN parsed_2mi8 1
59 . . . . . . . . . . . . . . . . 11.890 . . 1.000 . . 65 SER N . 65 SER HN parsed_2mi8 1
60 . . . . . . . . . . . . . . . . 9.740 . . 1.000 . . 66 THR N . 66 THR HN parsed_2mi8 1
61 . . . . . . . . . . . . . . . . 3.440 . . 1.000 . . 67 LEU N . 67 LEU HN parsed_2mi8 1
62 . . . . . . . . . . . . . . . . 4.120 . . 1.000 . . 68 HIS N . 68 HIS HN parsed_2mi8 1
63 . . . . . . . . . . . . . . . . 1.720 . . 1.000 . . 69 LEU N . 69 LEU HN parsed_2mi8 1
64 . . . . . . . . . . . . . . . . 10.300 . . 1.000 . . 70 VAL N . 70 VAL HN parsed_2mi8 1
65 . . . . . . . . . . . . . . . . 11.790 . . 1.000 . . 71 LEU N . 71 LEU HN parsed_2mi8 1
66 . . . . . . . . . . . . . . . . 7.440 . . 1.000 . . 72 ARG N . 72 ARG HN parsed_2mi8 1
67 . . . . . . . . . . . . . . . . 7.480 . . 1.000 . . 73 LEU N . 73 LEU HN parsed_2mi8 1
68 . . . . . . . . . . . . . . . . 6.810 . . 1.000 . . 74 ARG N . 74 ARG HN parsed_2mi8 1
69 . . . . . . . . . . . . . . . . 6.130 . . 1.000 . . 75 GLY N . 75 GLY HN parsed_2mi8 1
70 . . . . . . . . . . . . . . . . 1.330 . . 1.000 . . 76 GLY N . 76 GLY HN parsed_2mi8 1
stop_
save_
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