NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
476079 |
2kmv   |
16440 | cing | 2-parsed | STAR | dipolar coupling | 84 |
data_2kmv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmv
_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_2kmv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmv
_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 2kmv "Master copy" parsed_2kmv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmv
_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 2kmv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmv 1
1 2kmv.mr . . AMBER 2 distance NOE simple 2061 parsed_2kmv 1
1 2kmv.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 206 parsed_2kmv 1
1 2kmv.mr . . PDB 4 coordinate initial "Not applicable" 0 parsed_2kmv 1
1 2kmv.mr . . AMBER 5 "dipolar coupling" "Not applicable" "Not applicable" 84 parsed_2kmv 1
1 2kmv.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmv 1
stop_
save_
save_AMBER_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kmv
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . 14.19 14.19 . . 2kmv_ambr001 10 VAL N 2kmv_ambr001 10 VAL H parsed_2kmv 1
2 . . . . . . . . . . . . . . . . . 4.78 4.78 . . 2kmv_ambr001 11 ASN N 2kmv_ambr001 11 ASN H parsed_2kmv 1
3 . . . . . . . . . . . . . . . . . -1.14 -1.14 . . 2kmv_ambr001 12 GLN N 2kmv_ambr001 12 GLN H parsed_2kmv 1
4 . . . . . . . . . . . . . . . . . 0.57 0.57 . . 2kmv_ambr001 13 VAL N 2kmv_ambr001 13 VAL H parsed_2kmv 1
5 . . . . . . . . . . . . . . . . . -0.97 -0.97 . . 2kmv_ambr001 14 LYS N 2kmv_ambr001 14 LYS H parsed_2kmv 1
6 . . . . . . . . . . . . . . . . . -1.62 -1.62 . . 2kmv_ambr001 15 VAL N 2kmv_ambr001 15 VAL H parsed_2kmv 1
7 . . . . . . . . . . . . . . . . . -0.89 -0.89 . . 2kmv_ambr001 16 LEU N 2kmv_ambr001 16 LEU H parsed_2kmv 1
8 . . . . . . . . . . . . . . . . . 6.49 6.49 . . 2kmv_ambr001 17 THR N 2kmv_ambr001 17 THR H parsed_2kmv 1
9 . . . . . . . . . . . . . . . . . -2.59 -2.59 . . 2kmv_ambr001 24 HID N 2kmv_ambr001 24 HID H parsed_2kmv 1
10 . . . . . . . . . . . . . . . . . -2.11 -2.11 . . 2kmv_ambr001 28 LEU N 2kmv_ambr001 28 LEU H parsed_2kmv 1
11 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmv_ambr001 29 ALA N 2kmv_ambr001 29 ALA H parsed_2kmv 1
12 . . . . . . . . . . . . . . . . . -1.30 -1.30 . . 2kmv_ambr001 30 ILE N 2kmv_ambr001 30 ILE H parsed_2kmv 1
13 . . . . . . . . . . . . . . . . . -1.95 -1.95 . . 2kmv_ambr001 31 VAL N 2kmv_ambr001 31 VAL H parsed_2kmv 1
14 . . . . . . . . . . . . . . . . . -2.84 -2.84 . . 2kmv_ambr001 32 GLY N 2kmv_ambr001 32 GLY H parsed_2kmv 1
15 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmv_ambr001 33 THR N 2kmv_ambr001 33 THR H parsed_2kmv 1
16 . . . . . . . . . . . . . . . . . -0.41 -0.41 . . 2kmv_ambr001 34 ALA N 2kmv_ambr001 34 ALA H parsed_2kmv 1
17 . . . . . . . . . . . . . . . . . -3.65 -3.65 . . 2kmv_ambr001 35 GLU N 2kmv_ambr001 35 GLU H parsed_2kmv 1
18 . . . . . . . . . . . . . . . . . -2.68 -2.68 . . 2kmv_ambr001 43 GLY N 2kmv_ambr001 43 GLY H parsed_2kmv 1
19 . . . . . . . . . . . . . . . . . -4.13 -4.13 . . 2kmv_ambr001 44 THR N 2kmv_ambr001 44 THR H parsed_2kmv 1
20 . . . . . . . . . . . . . . . . . 2.84 2.84 . . 2kmv_ambr001 45 ALA N 2kmv_ambr001 45 ALA H parsed_2kmv 1
21 . . . . . . . . . . . . . . . . . -2.43 -2.43 . . 2kmv_ambr001 47 THR N 2kmv_ambr001 47 THR H parsed_2kmv 1
22 . . . . . . . . . . . . . . . . . -0.81 -0.81 . . 2kmv_ambr001 48 LYS N 2kmv_ambr001 48 LYS H parsed_2kmv 1
23 . . . . . . . . . . . . . . . . . 3.41 3.41 . . 2kmv_ambr001 49 TYR N 2kmv_ambr001 49 TYR H parsed_2kmv 1
24 . . . . . . . . . . . . . . . . . 1.70 1.70 . . 2kmv_ambr001 53 GLU N 2kmv_ambr001 53 GLU H parsed_2kmv 1
25 . . . . . . . . . . . . . . . . . -2.59 -2.59 . . 2kmv_ambr001 54 LEU N 2kmv_ambr001 54 LEU H parsed_2kmv 1
26 . . . . . . . . . . . . . . . . . 3.08 3.08 . . 2kmv_ambr001 63 ILE N 2kmv_ambr001 63 ILE H parsed_2kmv 1
27 . . . . . . . . . . . . . . . . . 4.30 4.30 . . 2kmv_ambr001 64 ASP N 2kmv_ambr001 64 ASP H parsed_2kmv 1
28 . . . . . . . . . . . . . . . . . 13.05 13.05 . . 2kmv_ambr001 65 PHE N 2kmv_ambr001 65 PHE H parsed_2kmv 1
29 . . . . . . . . . . . . . . . . . -0.65 -0.65 . . 2kmv_ambr001 66 GLN N 2kmv_ambr001 66 GLN H parsed_2kmv 1
30 . . . . . . . . . . . . . . . . . -2.35 -2.35 . . 2kmv_ambr001 68 VAL N 2kmv_ambr001 68 VAL H parsed_2kmv 1
31 . . . . . . . . . . . . . . . . . -3.24 -3.24 . . 2kmv_ambr001 72 GLY N 2kmv_ambr001 72 GLY H parsed_2kmv 1
32 . . . . . . . . . . . . . . . . . 7.38 7.38 . . 2kmv_ambr001 74 SER N 2kmv_ambr001 74 SER H parsed_2kmv 1
33 . . . . . . . . . . . . . . . . . 2.43 2.43 . . 2kmv_ambr001 75 CYS N 2kmv_ambr001 75 CYS H parsed_2kmv 1
34 . . . . . . . . . . . . . . . . . 2.92 2.92 . . 2kmv_ambr001 76 LYS N 2kmv_ambr001 76 LYS H parsed_2kmv 1
35 . . . . . . . . . . . . . . . . . 6.65 6.65 . . 2kmv_ambr001 77 VAL N 2kmv_ambr001 77 VAL H parsed_2kmv 1
36 . . . . . . . . . . . . . . . . . 0.89 0.89 . . 2kmv_ambr001 78 THR N 2kmv_ambr001 78 THR H parsed_2kmv 1
37 . . . . . . . . . . . . . . . . . -6.32 -6.32 . . 2kmv_ambr001 79 ASN N 2kmv_ambr001 79 ASN H parsed_2kmv 1
38 . . . . . . . . . . . . . . . . . 2.19 2.19 . . 2kmv_ambr001 80 ILE N 2kmv_ambr001 80 ILE H parsed_2kmv 1
39 . . . . . . . . . . . . . . . . . -2.27 -2.27 . . 2kmv_ambr001 82 GLY N 2kmv_ambr001 82 GLY H parsed_2kmv 1
40 . . . . . . . . . . . . . . . . . 5.51 5.51 . . 2kmv_ambr001 83 LEU N 2kmv_ambr001 83 LEU H parsed_2kmv 1
41 . . . . . . . . . . . . . . . . . 0.89 0.89 . . 2kmv_ambr001 122 GLN N 2kmv_ambr001 122 GLN H parsed_2kmv 1
42 . . . . . . . . . . . . . . . . . 2.03 2.03 . . 2kmv_ambr001 123 ILE N 2kmv_ambr001 123 ILE H parsed_2kmv 1
43 . . . . . . . . . . . . . . . . . 0.73 0.73 . . 2kmv_ambr001 124 SER N 2kmv_ambr001 124 SER H parsed_2kmv 1
44 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmv_ambr001 125 ASN N 2kmv_ambr001 125 ASN H parsed_2kmv 1
45 . . . . . . . . . . . . . . . . . -0.41 -0.41 . . 2kmv_ambr001 126 ALA N 2kmv_ambr001 126 ALA H parsed_2kmv 1
46 . . . . . . . . . . . . . . . . . 2.92 2.92 . . 2kmv_ambr001 127 LEU N 2kmv_ambr001 127 LEU H parsed_2kmv 1
47 . . . . . . . . . . . . . . . . . 7.30 7.30 . . 2kmv_ambr001 132 TYR N 2kmv_ambr001 132 TYR H parsed_2kmv 1
48 . . . . . . . . . . . . . . . . . 0.81 0.81 . . 2kmv_ambr001 133 LYS N 2kmv_ambr001 133 LYS H parsed_2kmv 1
49 . . . . . . . . . . . . . . . . . -0.16 -0.16 . . 2kmv_ambr001 134 VAL N 2kmv_ambr001 134 VAL H parsed_2kmv 1
50 . . . . . . . . . . . . . . . . . -1.95 -1.95 . . 2kmv_ambr001 135 LEU N 2kmv_ambr001 135 LEU H parsed_2kmv 1
51 . . . . . . . . . . . . . . . . . -1.70 -1.70 . . 2kmv_ambr001 137 GLY N 2kmv_ambr001 137 GLY H parsed_2kmv 1
52 . . . . . . . . . . . . . . . . . -9.08 -9.08 . . 2kmv_ambr001 139 ARG N 2kmv_ambr001 139 ARG H parsed_2kmv 1
53 . . . . . . . . . . . . . . . . . -1.95 -1.95 . . 2kmv_ambr001 140 GLU N 2kmv_ambr001 140 GLU H parsed_2kmv 1
54 . . . . . . . . . . . . . . . . . 0.97 0.97 . . 2kmv_ambr001 141 TRP N 2kmv_ambr001 141 TRP H parsed_2kmv 1
55 . . . . . . . . . . . . . . . . . -3.73 -3.73 . . 2kmv_ambr001 144 ARG N 2kmv_ambr001 144 ARG H parsed_2kmv 1
56 . . . . . . . . . . . . . . . . . -4.86 -4.86 . . 2kmv_ambr001 145 ASN N 2kmv_ambr001 145 ASN H parsed_2kmv 1
57 . . . . . . . . . . . . . . . . . -5.11 -5.11 . . 2kmv_ambr001 146 GLY N 2kmv_ambr001 146 GLY H parsed_2kmv 1
58 . . . . . . . . . . . . . . . . . -0.16 -0.16 . . 2kmv_ambr001 151 ASN N 2kmv_ambr001 151 ASN H parsed_2kmv 1
59 . . . . . . . . . . . . . . . . . -8.68 -8.68 . . 2kmv_ambr001 152 ASP N 2kmv_ambr001 152 ASP H parsed_2kmv 1
60 . . . . . . . . . . . . . . . . . -1.62 -1.62 . . 2kmv_ambr001 153 VAL N 2kmv_ambr001 153 VAL H parsed_2kmv 1
61 . . . . . . . . . . . . . . . . . 2.11 2.11 . . 2kmv_ambr001 154 ASN N 2kmv_ambr001 154 ASN H parsed_2kmv 1
62 . . . . . . . . . . . . . . . . . -4.22 -4.22 . . 2kmv_ambr001 155 ASP N 2kmv_ambr001 155 ASP H parsed_2kmv 1
63 . . . . . . . . . . . . . . . . . -0.65 -0.65 . . 2kmv_ambr001 157 MET N 2kmv_ambr001 157 MET H parsed_2kmv 1
64 . . . . . . . . . . . . . . . . . -1.30 -1.30 . . 2kmv_ambr001 158 THR N 2kmv_ambr001 158 THR H parsed_2kmv 1
65 . . . . . . . . . . . . . . . . . -6.16 -6.16 . . 2kmv_ambr001 159 GLU N 2kmv_ambr001 159 GLU H parsed_2kmv 1
66 . . . . . . . . . . . . . . . . . -6.24 -6.24 . . 2kmv_ambr001 160 HID N 2kmv_ambr001 160 HID H parsed_2kmv 1
67 . . . . . . . . . . . . . . . . . -1.14 -1.14 . . 2kmv_ambr001 161 GLU N 2kmv_ambr001 161 GLU H parsed_2kmv 1
68 . . . . . . . . . . . . . . . . . -3.16 -3.16 . . 2kmv_ambr001 162 ARG N 2kmv_ambr001 162 ARG H parsed_2kmv 1
69 . . . . . . . . . . . . . . . . . -8.76 -8.76 . . 2kmv_ambr001 163 LYS N 2kmv_ambr001 163 LYS H parsed_2kmv 1
70 . . . . . . . . . . . . . . . . . 9.65 9.65 . . 2kmv_ambr001 164 GLY N 2kmv_ambr001 164 GLY H parsed_2kmv 1
71 . . . . . . . . . . . . . . . . . 6.73 6.73 . . 2kmv_ambr001 165 ARG N 2kmv_ambr001 165 ARG H parsed_2kmv 1
72 . . . . . . . . . . . . . . . . . 14.59 14.59 . . 2kmv_ambr001 166 THR N 2kmv_ambr001 166 THR H parsed_2kmv 1
73 . . . . . . . . . . . . . . . . . 7.95 7.95 . . 2kmv_ambr001 167 ALA N 2kmv_ambr001 167 ALA H parsed_2kmv 1
74 . . . . . . . . . . . . . . . . . 2.76 2.76 . . 2kmv_ambr001 168 VAL N 2kmv_ambr001 168 VAL H parsed_2kmv 1
75 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmv_ambr001 169 LEU N 2kmv_ambr001 169 LEU H parsed_2kmv 1
76 . . . . . . . . . . . . . . . . . -0.08 -0.08 . . 2kmv_ambr001 171 ALA N 2kmv_ambr001 171 ALA H parsed_2kmv 1
77 . . . . . . . . . . . . . . . . . 12.73 12.73 . . 2kmv_ambr001 175 GLU N 2kmv_ambr001 175 GLU H parsed_2kmv 1
78 . . . . . . . . . . . . . . . . . 11.43 11.43 . . 2kmv_ambr001 176 LEU N 2kmv_ambr001 176 LEU H parsed_2kmv 1
79 . . . . . . . . . . . . . . . . . 1.95 1.95 . . 2kmv_ambr001 177 CYS N 2kmv_ambr001 177 CYS H parsed_2kmv 1
80 . . . . . . . . . . . . . . . . . -0.49 -0.49 . . 2kmv_ambr001 178 GLY N 2kmv_ambr001 178 GLY H parsed_2kmv 1
81 . . . . . . . . . . . . . . . . . 0.97 0.97 . . 2kmv_ambr001 179 LEU N 2kmv_ambr001 179 LEU H parsed_2kmv 1
82 . . . . . . . . . . . . . . . . . 1.46 1.46 . . 2kmv_ambr001 180 ILE N 2kmv_ambr001 180 ILE H parsed_2kmv 1
83 . . . . . . . . . . . . . . . . . 3.73 3.73 . . 2kmv_ambr001 181 ALA N 2kmv_ambr001 181 ALA H parsed_2kmv 1
84 . . . . . . . . . . . . . . . . . 9.49 9.49 . . 2kmv_ambr001 182 ILE N 2kmv_ambr001 182 ILE H parsed_2kmv 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=84,dcut=-1.0,dwt=84*0.1,
gigj = 84*-3.163,
s11=-49.526, s22=58.571, s12=-22.659, s13=-33.079, s23=6.47,
dij=84*1.01
;
1 2 5 14 parsed_2kmv 1
2 / 90 2 90 2 parsed_2kmv 1
stop_
save_
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