NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
543507 |
2lhn   |
17858 | cing | 2-parsed | STAR | dipolar coupling | 61 |
data_2lhn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lhn
_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_2lhn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lhn
_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 2lhn "Master copy" parsed_2lhn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lhn
_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 2lhn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lhn 1
1 2lhn.mr . . AMBER 2 distance NOE simple 858 parsed_2lhn 1
1 2lhn.mr . . AMBER 3 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_2lhn 1
1 2lhn.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lhn 1
stop_
save_
save_AMBER_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lhn
_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 . . . . . . . . . . . . . . . . . -21.33 -21.33 . . 2lhn_ambr001 10 GLU N 2lhn_ambr001 10 GLU H parsed_2lhn 1
2 . . . . . . . . . . . . . . . . . 4.35 4.35 . . 2lhn_ambr001 11 GLN N 2lhn_ambr001 11 GLN H parsed_2lhn 1
3 . . . . . . . . . . . . . . . . . 2.18 2.18 . . 2lhn_ambr001 12 CYM N 2lhn_ambr001 12 CYM HN parsed_2lhn 1
4 . . . . . . . . . . . . . . . . . -19.37 -19.37 . . 2lhn_ambr001 14 PHE N 2lhn_ambr001 14 PHE H parsed_2lhn 1
5 . . . . . . . . . . . . . . . . . 10.18 10.18 . . 2lhn_ambr001 15 GLY N 2lhn_ambr001 15 GLY H parsed_2lhn 1
6 . . . . . . . . . . . . . . . . . 9.32 9.32 . . 2lhn_ambr001 17 HIE N 2lhn_ambr001 17 HIE H parsed_2lhn 1
7 . . . . . . . . . . . . . . . . . 6.59 6.59 . . 2lhn_ambr001 18 CYM N 2lhn_ambr001 18 CYM HN parsed_2lhn 1
8 . . . . . . . . . . . . . . . . . 4.52 4.52 . . 2lhn_ambr001 19 THR N 2lhn_ambr001 19 THR H parsed_2lhn 1
9 . . . . . . . . . . . . . . . . . 6.23 6.23 . . 2lhn_ambr001 20 ASN N 2lhn_ambr001 20 ASN H parsed_2lhn 1
10 . . . . . . . . . . . . . . . . . 7.76 7.76 . . 2lhn_ambr001 21 LYS N 2lhn_ambr001 21 LYS H parsed_2lhn 1
11 . . . . . . . . . . . . . . . . . 2.07 2.07 . . 2lhn_ambr001 22 ARG N 2lhn_ambr001 22 ARG H parsed_2lhn 1
12 . . . . . . . . . . . . . . . . . 13.22 13.22 . . 2lhn_ambr001 23 CYM N 2lhn_ambr001 23 CYM HN parsed_2lhn 1
13 . . . . . . . . . . . . . . . . . 4.46 4.46 . . 2lhn_ambr001 24 LYS N 2lhn_ambr001 24 LYS H parsed_2lhn 1
14 . . . . . . . . . . . . . . . . . 15.32 15.32 . . 2lhn_ambr001 25 TYR N 2lhn_ambr001 25 TYR H parsed_2lhn 1
15 . . . . . . . . . . . . . . . . . 11.00 11.00 . . 2lhn_ambr001 26 ARG N 2lhn_ambr001 26 ARG H parsed_2lhn 1
16 . . . . . . . . . . . . . . . . . -5.02 -5.02 . . 2lhn_ambr001 27 HID N 2lhn_ambr001 27 HID H parsed_2lhn 1
17 . . . . . . . . . . . . . . . . . 1.83 1.83 . . 2lhn_ambr001 28 ALA N 2lhn_ambr001 28 ALA H parsed_2lhn 1
18 . . . . . . . . . . . . . . . . . 7.20 7.20 . . 2lhn_ambr001 29 ARG N 2lhn_ambr001 29 ARG H parsed_2lhn 1
19 . . . . . . . . . . . . . . . . . 9.17 9.17 . . 2lhn_ambr001 30 SER N 2lhn_ambr001 30 SER H parsed_2lhn 1
20 . . . . . . . . . . . . . . . . . -3.55 -3.55 . . 2lhn_ambr001 32 ILE N 2lhn_ambr001 32 ILE H parsed_2lhn 1
21 . . . . . . . . . . . . . . . . . -24.37 -24.37 . . 2lhn_ambr001 33 MET N 2lhn_ambr001 33 MET H parsed_2lhn 1
22 . . . . . . . . . . . . . . . . . 4.62 4.62 . . 2lhn_ambr001 34 CYM N 2lhn_ambr001 34 CYM HN parsed_2lhn 1
23 . . . . . . . . . . . . . . . . . 1.42 1.42 . . 2lhn_ambr001 35 ARG N 2lhn_ambr001 35 ARG H parsed_2lhn 1
24 . . . . . . . . . . . . . . . . . 10.48 10.48 . . 2lhn_ambr001 36 GLU N 2lhn_ambr001 36 GLU H parsed_2lhn 1
25 . . . . . . . . . . . . . . . . . 7.46 7.46 . . 2lhn_ambr001 37 GLY N 2lhn_ambr001 37 GLY H parsed_2lhn 1
26 . . . . . . . . . . . . . . . . . -12.83 -12.83 . . 2lhn_ambr001 38 ALA N 2lhn_ambr001 38 ALA H parsed_2lhn 1
27 . . . . . . . . . . . . . . . . . -17.21 -17.21 . . 2lhn_ambr001 39 ASN N 2lhn_ambr001 39 ASN H parsed_2lhn 1
28 . . . . . . . . . . . . . . . . . -11.14 -11.14 . . 2lhn_ambr001 40 CYM N 2lhn_ambr001 40 CYM HN parsed_2lhn 1
29 . . . . . . . . . . . . . . . . . 6.89 6.89 . . 2lhn_ambr001 41 THR N 2lhn_ambr001 41 THR H parsed_2lhn 1
30 . . . . . . . . . . . . . . . . . -25.80 -25.80 . . 2lhn_ambr001 42 ARG N 2lhn_ambr001 42 ARG H parsed_2lhn 1
31 . . . . . . . . . . . . . . . . . -6.39 -6.39 . . 2lhn_ambr001 43 ILE N 2lhn_ambr001 43 ILE H parsed_2lhn 1
32 . . . . . . . . . . . . . . . . . 9.32 9.32 . . 2lhn_ambr001 44 ASP N 2lhn_ambr001 44 ASP H parsed_2lhn 1
33 . . . . . . . . . . . . . . . . . 8.67 8.67 . . 2lhn_ambr001 45 CYM N 2lhn_ambr001 45 CYM HN parsed_2lhn 1
34 . . . . . . . . . . . . . . . . . 6.75 6.75 . . 2lhn_ambr001 46 LEU N 2lhn_ambr001 46 LEU H parsed_2lhn 1
35 . . . . . . . . . . . . . . . . . -3.39 -3.39 . . 2lhn_ambr001 47 PHE N 2lhn_ambr001 47 PHE H parsed_2lhn 1
36 . . . . . . . . . . . . . . . . . -11.91 -11.91 . . 2lhn_ambr001 48 GLY N 2lhn_ambr001 48 GLY H parsed_2lhn 1
37 . . . . . . . . . . . . . . . . . 11.65 11.65 . . 2lhn_ambr001 49 HID N 2lhn_ambr001 49 HID H parsed_2lhn 1
38 . . . . . . . . . . . . . . . . . -25.21 -25.21 . . 2lhn_ambr001 51 ILE N 2lhn_ambr001 51 ILE H parsed_2lhn 1
39 . . . . . . . . . . . . . . . . . -21.75 -21.75 . . 2lhn_ambr001 52 ASN N 2lhn_ambr001 52 ASN H parsed_2lhn 1
40 . . . . . . . . . . . . . . . . . -4.23 -4.23 . . 2lhn_ambr001 53 GLU N 2lhn_ambr001 53 GLU H parsed_2lhn 1
41 . . . . . . . . . . . . . . . . . -1.92 -1.92 . . 2lhn_ambr001 54 ASP N 2lhn_ambr001 54 ASP H parsed_2lhn 1
42 . . . . . . . . . . . . . . . . . 14.32 14.32 . . 2lhn_ambr001 55 CYM N 2lhn_ambr001 55 CYM HN parsed_2lhn 1
43 . . . . . . . . . . . . . . . . . -5.63 -5.63 . . 2lhn_ambr001 56 ARG N 2lhn_ambr001 56 ARG H parsed_2lhn 1
44 . . . . . . . . . . . . . . . . . -1.37 -1.37 . . 2lhn_ambr001 57 PHE N 2lhn_ambr001 57 PHE H parsed_2lhn 1
45 . . . . . . . . . . . . . . . . . -21.38 -21.38 . . 2lhn_ambr001 58 GLY N 2lhn_ambr001 58 GLY H parsed_2lhn 1
46 . . . . . . . . . . . . . . . . . 2.23 2.23 . . 2lhn_ambr001 59 VAL N 2lhn_ambr001 59 VAL H parsed_2lhn 1
47 . . . . . . . . . . . . . . . . . -8.67 -8.67 . . 2lhn_ambr001 60 ASN N 2lhn_ambr001 60 ASN H parsed_2lhn 1
48 . . . . . . . . . . . . . . . . . 10.14 10.14 . . 2lhn_ambr001 61 CYM N 2lhn_ambr001 61 CYM HN parsed_2lhn 1
49 . . . . . . . . . . . . . . . . . 13.13 13.13 . . 2lhn_ambr001 62 LYS N 2lhn_ambr001 62 LYS H parsed_2lhn 1
50 . . . . . . . . . . . . . . . . . 1.63 1.63 . . 2lhn_ambr001 63 ASN N 2lhn_ambr001 63 ASN H parsed_2lhn 1
51 . . . . . . . . . . . . . . . . . 5.74 5.74 . . 2lhn_ambr001 64 ILE N 2lhn_ambr001 64 ILE H parsed_2lhn 1
52 . . . . . . . . . . . . . . . . . 19.03 19.03 . . 2lhn_ambr001 65 TYR N 2lhn_ambr001 65 TYR H parsed_2lhn 1
53 . . . . . . . . . . . . . . . . . -13.08 -13.08 . . 2lhn_ambr001 66 CYM N 2lhn_ambr001 66 CYM HN parsed_2lhn 1
54 . . . . . . . . . . . . . . . . . 15.51 15.51 . . 2lhn_ambr001 67 LEU N 2lhn_ambr001 67 LEU H parsed_2lhn 1
55 . . . . . . . . . . . . . . . . . 1.52 1.52 . . 2lhn_ambr001 68 PHE N 2lhn_ambr001 68 PHE H parsed_2lhn 1
56 . . . . . . . . . . . . . . . . . -7.50 -7.50 . . 2lhn_ambr001 69 ARG N 2lhn_ambr001 69 ARG H parsed_2lhn 1
57 . . . . . . . . . . . . . . . . . 14.35 14.35 . . 2lhn_ambr001 70 HID N 2lhn_ambr001 70 HID H parsed_2lhn 1
58 . . . . . . . . . . . . . . . . . 3.05 3.05 . . 2lhn_ambr001 73 GLY N 2lhn_ambr001 73 GLY H parsed_2lhn 1
59 . . . . . . . . . . . . . . . . . -7.29 -7.29 . . 2lhn_ambr001 74 ARG N 2lhn_ambr001 74 ARG H parsed_2lhn 1
60 . . . . . . . . . . . . . . . . . 7.42 7.42 . . 2lhn_ambr001 75 VAL N 2lhn_ambr001 75 VAL H parsed_2lhn 1
61 . . . . . . . . . . . . . . . . . 10.32 10.32 . . 2lhn_ambr001 76 LEU N 2lhn_ambr001 76 LEU H parsed_2lhn 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
;
&align
ndip=61, dcut=-1.0, gigj = 61*-3.1631, dwt=61*0.02,
s11=1.0, s22=1.0, s12=1.0, s13=1.0, s23=1.0,
freezemol=.true.,
;
1 2 4 18 parsed_2lhn 1
2 &end 66 1 66 4 parsed_2lhn 1
stop_
save_
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