NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
480573 |
2kmx   |
16441 | cing | 2-parsed | STAR | dipolar coupling | 86 |
data_2kmx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmx
_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_2kmx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmx
_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 2kmx "Master copy" parsed_2kmx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmx
_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 2kmx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmx 1
1 2kmx.mr . . AMBER 2 distance NOE simple 557 parsed_2kmx 1
1 2kmx.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 226 parsed_2kmx 1
1 2kmx.mr . . AMBER 4 "dipolar coupling" "Not applicable" "Not applicable" 86 parsed_2kmx 1
1 2kmx.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmx 1
stop_
save_
save_AMBER_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kmx
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . 0.65 0.65 . . 2kmx_ambr001 6 GLY N 2kmx_ambr001 6 GLY H parsed_2kmx 1
2 . . . . . . . . . . . . . . . . . -0.16 -0.16 . . 2kmx_ambr001 7 THR N 2kmx_ambr001 7 THR H parsed_2kmx 1
3 . . . . . . . . . . . . . . . . . 1.62 1.62 . . 2kmx_ambr001 9 VAL N 2kmx_ambr001 9 VAL H parsed_2kmx 1
4 . . . . . . . . . . . . . . . . . 2.76 2.76 . . 2kmx_ambr001 10 VAL N 2kmx_ambr001 10 VAL H parsed_2kmx 1
5 . . . . . . . . . . . . . . . . . 4.13 4.13 . . 2kmx_ambr001 11 ASN N 2kmx_ambr001 11 ASN H parsed_2kmx 1
6 . . . . . . . . . . . . . . . . . 1.70 1.70 . . 2kmx_ambr001 12 GLN N 2kmx_ambr001 12 GLN H parsed_2kmx 1
7 . . . . . . . . . . . . . . . . . 3.65 3.65 . . 2kmx_ambr001 13 VAL N 2kmx_ambr001 13 VAL H parsed_2kmx 1
8 . . . . . . . . . . . . . . . . . 4.22 4.22 . . 2kmx_ambr001 14 LYS N 2kmx_ambr001 14 LYS H parsed_2kmx 1
9 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmx_ambr001 15 VAL N 2kmx_ambr001 15 VAL H parsed_2kmx 1
10 . . . . . . . . . . . . . . . . . -1.46 -1.46 . . 2kmx_ambr001 24 HID N 2kmx_ambr001 24 HID H parsed_2kmx 1
11 . . . . . . . . . . . . . . . . . 0.65 0.65 . . 2kmx_ambr001 27 ILE N 2kmx_ambr001 27 ILE H parsed_2kmx 1
12 . . . . . . . . . . . . . . . . . 2.68 2.68 . . 2kmx_ambr001 29 ALA N 2kmx_ambr001 29 ALA H parsed_2kmx 1
13 . . . . . . . . . . . . . . . . . 4.38 4.38 . . 2kmx_ambr001 32 GLY N 2kmx_ambr001 32 GLY H parsed_2kmx 1
14 . . . . . . . . . . . . . . . . . 1.95 1.95 . . 2kmx_ambr001 33 THR N 2kmx_ambr001 33 THR H parsed_2kmx 1
15 . . . . . . . . . . . . . . . . . -0.81 -0.81 . . 2kmx_ambr001 34 ALA N 2kmx_ambr001 34 ALA H parsed_2kmx 1
16 . . . . . . . . . . . . . . . . . 1.30 1.30 . . 2kmx_ambr001 35 GLU N 2kmx_ambr001 35 GLU H parsed_2kmx 1
17 . . . . . . . . . . . . . . . . . 5.35 5.35 . . 2kmx_ambr001 36 SER N 2kmx_ambr001 36 SER H parsed_2kmx 1
18 . . . . . . . . . . . . . . . . . 0.32 0.32 . . 2kmx_ambr001 37 ASN N 2kmx_ambr001 37 ASN H parsed_2kmx 1
19 . . . . . . . . . . . . . . . . . 6.08 6.08 . . 2kmx_ambr001 43 GLY N 2kmx_ambr001 43 GLY H parsed_2kmx 1
20 . . . . . . . . . . . . . . . . . 9.49 9.49 . . 2kmx_ambr001 44 THR N 2kmx_ambr001 44 THR H parsed_2kmx 1
21 . . . . . . . . . . . . . . . . . 8.76 8.76 . . 2kmx_ambr001 47 THR N 2kmx_ambr001 47 THR H parsed_2kmx 1
22 . . . . . . . . . . . . . . . . . 9.57 9.57 . . 2kmx_ambr001 49 TYR N 2kmx_ambr001 49 TYR H parsed_2kmx 1
23 . . . . . . . . . . . . . . . . . 8.76 8.76 . . 2kmx_ambr001 53 GLU N 2kmx_ambr001 53 GLU H parsed_2kmx 1
24 . . . . . . . . . . . . . . . . . 7.30 7.30 . . 2kmx_ambr001 54 LEU N 2kmx_ambr001 54 LEU H parsed_2kmx 1
25 . . . . . . . . . . . . . . . . . 0.73 0.73 . . 2kmx_ambr001 62 CYS N 2kmx_ambr001 62 CYS H parsed_2kmx 1
26 . . . . . . . . . . . . . . . . . -3.49 -3.49 . . 2kmx_ambr001 63 ILE N 2kmx_ambr001 63 ILE H parsed_2kmx 1
27 . . . . . . . . . . . . . . . . . -4.13 -4.13 . . 2kmx_ambr001 64 ASP N 2kmx_ambr001 64 ASP H parsed_2kmx 1
28 . . . . . . . . . . . . . . . . . -1.22 -1.22 . . 2kmx_ambr001 66 GLN N 2kmx_ambr001 66 GLN H parsed_2kmx 1
29 . . . . . . . . . . . . . . . . . -0.65 -0.65 . . 2kmx_ambr001 68 VAL N 2kmx_ambr001 68 VAL H parsed_2kmx 1
30 . . . . . . . . . . . . . . . . . 0.00 0.00 . . 2kmx_ambr001 73 ILE N 2kmx_ambr001 73 ILE H parsed_2kmx 1
31 . . . . . . . . . . . . . . . . . -0.57 -0.57 . . 2kmx_ambr001 75 CYS N 2kmx_ambr001 75 CYS H parsed_2kmx 1
32 . . . . . . . . . . . . . . . . . -1.95 -1.95 . . 2kmx_ambr001 77 VAL N 2kmx_ambr001 77 VAL H parsed_2kmx 1
33 . . . . . . . . . . . . . . . . . 1.05 1.05 . . 2kmx_ambr001 78 THR N 2kmx_ambr001 78 THR H parsed_2kmx 1
34 . . . . . . . . . . . . . . . . . -1.30 -1.30 . . 2kmx_ambr001 80 ILE N 2kmx_ambr001 80 ILE H parsed_2kmx 1
35 . . . . . . . . . . . . . . . . . -6.32 -6.32 . . 2kmx_ambr001 82 GLY N 2kmx_ambr001 82 GLY H parsed_2kmx 1
36 . . . . . . . . . . . . . . . . . -9.00 -9.00 . . 2kmx_ambr001 84 LEU N 2kmx_ambr001 84 LEU H parsed_2kmx 1
37 . . . . . . . . . . . . . . . . . 1.05 1.05 . . 2kmx_ambr001 121 ALA N 2kmx_ambr001 121 ALA H parsed_2kmx 1
38 . . . . . . . . . . . . . . . . . 0.49 0.49 . . 2kmx_ambr001 122 GLN N 2kmx_ambr001 122 GLN H parsed_2kmx 1
39 . . . . . . . . . . . . . . . . . 3.32 3.32 . . 2kmx_ambr001 124 SER N 2kmx_ambr001 124 SER H parsed_2kmx 1
40 . . . . . . . . . . . . . . . . . 9.65 9.65 . . 2kmx_ambr001 126 ALA N 2kmx_ambr001 126 ALA H parsed_2kmx 1
41 . . . . . . . . . . . . . . . . . 6.73 6.73 . . 2kmx_ambr001 127 LEU N 2kmx_ambr001 127 LEU H parsed_2kmx 1
42 . . . . . . . . . . . . . . . . . 4.95 4.95 . . 2kmx_ambr001 128 ASN N 2kmx_ambr001 128 ASN H parsed_2kmx 1
43 . . . . . . . . . . . . . . . . . 4.05 4.05 . . 2kmx_ambr001 129 ALA N 2kmx_ambr001 129 ALA H parsed_2kmx 1
44 . . . . . . . . . . . . . . . . . 1.78 1.78 . . 2kmx_ambr001 130 GLN N 2kmx_ambr001 130 GLN H parsed_2kmx 1
45 . . . . . . . . . . . . . . . . . -2.59 -2.59 . . 2kmx_ambr001 131 GLN N 2kmx_ambr001 131 GLN H parsed_2kmx 1
46 . . . . . . . . . . . . . . . . . 2.76 2.76 . . 2kmx_ambr001 132 TYR N 2kmx_ambr001 132 TYR H parsed_2kmx 1
47 . . . . . . . . . . . . . . . . . 1.05 1.05 . . 2kmx_ambr001 133 LYS N 2kmx_ambr001 133 LYS H parsed_2kmx 1
48 . . . . . . . . . . . . . . . . . -5.03 -5.03 . . 2kmx_ambr001 134 VAL N 2kmx_ambr001 134 VAL H parsed_2kmx 1
49 . . . . . . . . . . . . . . . . . 2.11 2.11 . . 2kmx_ambr001 135 LEU N 2kmx_ambr001 135 LEU H parsed_2kmx 1
50 . . . . . . . . . . . . . . . . . 2.43 2.43 . . 2kmx_ambr001 136 ILE N 2kmx_ambr001 136 ILE H parsed_2kmx 1
51 . . . . . . . . . . . . . . . . . -1.05 -1.05 . . 2kmx_ambr001 137 GLY N 2kmx_ambr001 137 GLY H parsed_2kmx 1
52 . . . . . . . . . . . . . . . . . -1.05 -1.05 . . 2kmx_ambr001 138 ASN N 2kmx_ambr001 138 ASN H parsed_2kmx 1
53 . . . . . . . . . . . . . . . . . 4.54 4.54 . . 2kmx_ambr001 140 GLU N 2kmx_ambr001 140 GLU H parsed_2kmx 1
54 . . . . . . . . . . . . . . . . . 0.00 0.00 . . 2kmx_ambr001 142 MET N 2kmx_ambr001 142 MET H parsed_2kmx 1
55 . . . . . . . . . . . . . . . . . 0.00 0.00 . . 2kmx_ambr001 143 ILE N 2kmx_ambr001 143 ILE H parsed_2kmx 1
56 . . . . . . . . . . . . . . . . . 7.13 7.13 . . 2kmx_ambr001 146 GLY N 2kmx_ambr001 146 GLY H parsed_2kmx 1
57 . . . . . . . . . . . . . . . . . 2.43 2.43 . . 2kmx_ambr001 147 LEU N 2kmx_ambr001 147 LEU H parsed_2kmx 1
58 . . . . . . . . . . . . . . . . . 7.70 7.70 . . 2kmx_ambr001 149 ILE N 2kmx_ambr001 149 ILE H parsed_2kmx 1
59 . . . . . . . . . . . . . . . . . 5.59 5.59 . . 2kmx_ambr001 150 ASN N 2kmx_ambr001 150 ASN H parsed_2kmx 1
60 . . . . . . . . . . . . . . . . . 0.49 0.49 . . 2kmx_ambr001 151 ASN N 2kmx_ambr001 151 ASN H parsed_2kmx 1
61 . . . . . . . . . . . . . . . . . -4.05 -4.05 . . 2kmx_ambr001 152 ASP N 2kmx_ambr001 152 ASP H parsed_2kmx 1
62 . . . . . . . . . . . . . . . . . -3.65 -3.65 . . 2kmx_ambr001 153 VAL N 2kmx_ambr001 153 VAL H parsed_2kmx 1
63 . . . . . . . . . . . . . . . . . -0.89 -0.89 . . 2kmx_ambr001 154 ASN N 2kmx_ambr001 154 ASN H parsed_2kmx 1
64 . . . . . . . . . . . . . . . . . 0.32 0.32 . . 2kmx_ambr001 155 ASP N 2kmx_ambr001 155 ASP H parsed_2kmx 1
65 . . . . . . . . . . . . . . . . . 0.32 0.32 . . 2kmx_ambr001 157 MET N 2kmx_ambr001 157 MET H parsed_2kmx 1
66 . . . . . . . . . . . . . . . . . -0.24 -0.24 . . 2kmx_ambr001 158 THR N 2kmx_ambr001 158 THR H parsed_2kmx 1
67 . . . . . . . . . . . . . . . . . 0.32 0.32 . . 2kmx_ambr001 159 GLU N 2kmx_ambr001 159 GLU H parsed_2kmx 1
68 . . . . . . . . . . . . . . . . . -4.95 -4.95 . . 2kmx_ambr001 160 HID N 2kmx_ambr001 160 HID H parsed_2kmx 1
69 . . . . . . . . . . . . . . . . . -1.05 -1.05 . . 2kmx_ambr001 161 GLU N 2kmx_ambr001 161 GLU H parsed_2kmx 1
70 . . . . . . . . . . . . . . . . . 2.68 2.68 . . 2kmx_ambr001 162 ARG N 2kmx_ambr001 162 ARG H parsed_2kmx 1
71 . . . . . . . . . . . . . . . . . -4.30 -4.30 . . 2kmx_ambr001 163 LYS N 2kmx_ambr001 163 LYS H parsed_2kmx 1
72 . . . . . . . . . . . . . . . . . 4.38 4.38 . . 2kmx_ambr001 164 GLY N 2kmx_ambr001 164 GLY H parsed_2kmx 1
73 . . . . . . . . . . . . . . . . . -0.49 -0.49 . . 2kmx_ambr001 165 ARG N 2kmx_ambr001 165 ARG H parsed_2kmx 1
74 . . . . . . . . . . . . . . . . . 11.35 11.35 . . 2kmx_ambr001 167 ALA N 2kmx_ambr001 167 ALA H parsed_2kmx 1
75 . . . . . . . . . . . . . . . . . 3.89 3.89 . . 2kmx_ambr001 168 VAL N 2kmx_ambr001 168 VAL H parsed_2kmx 1
76 . . . . . . . . . . . . . . . . . 4.13 4.13 . . 2kmx_ambr001 169 LEU N 2kmx_ambr001 169 LEU H parsed_2kmx 1
77 . . . . . . . . . . . . . . . . . 0.00 0.00 . . 2kmx_ambr001 170 VAL N 2kmx_ambr001 170 VAL H parsed_2kmx 1
78 . . . . . . . . . . . . . . . . . 0.49 0.49 . . 2kmx_ambr001 171 ALA N 2kmx_ambr001 171 ALA H parsed_2kmx 1
79 . . . . . . . . . . . . . . . . . -0.65 -0.65 . . 2kmx_ambr001 173 ASP N 2kmx_ambr001 173 ASP H parsed_2kmx 1
80 . . . . . . . . . . . . . . . . . 4.62 4.62 . . 2kmx_ambr001 174 ASP N 2kmx_ambr001 174 ASP H parsed_2kmx 1
81 . . . . . . . . . . . . . . . . . 1.78 1.78 . . 2kmx_ambr001 176 LEU N 2kmx_ambr001 176 LEU H parsed_2kmx 1
82 . . . . . . . . . . . . . . . . . -0.57 -0.57 . . 2kmx_ambr001 178 GLY N 2kmx_ambr001 178 GLY H parsed_2kmx 1
83 . . . . . . . . . . . . . . . . . 5.11 5.11 . . 2kmx_ambr001 179 LEU N 2kmx_ambr001 179 LEU H parsed_2kmx 1
84 . . . . . . . . . . . . . . . . . 4.86 4.86 . . 2kmx_ambr001 180 ILE N 2kmx_ambr001 180 ILE H parsed_2kmx 1
85 . . . . . . . . . . . . . . . . . 9.24 9.24 . . 2kmx_ambr001 181 ALA N 2kmx_ambr001 181 ALA H parsed_2kmx 1
86 . . . . . . . . . . . . . . . . . 8.03 8.03 . . 2kmx_ambr001 182 ILE N 2kmx_ambr001 182 ILE H parsed_2kmx 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=86,dcut=-1.0,dwt=86*0.1,
gigj = 86*-3.163,
s11=31.972, s22=8.295, s12=-16.741, s13=15.525, s23=1.986,
dij=86*1.01
;
1 2 5 14 parsed_2kmx 1
2 / 92 2 92 2 parsed_2kmx 1
stop_
save_
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