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 | item_count |
|
|
595997 |
2n2e   |
25194 | cing | 2-parsed | STAR | dipolar coupling | 76 |
data_2n2e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n2e
_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_2n2e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n2e
_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 2n2e "Master copy" parsed_2n2e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n2e
_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 2n2e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n2e 1
1 2n2e.mr . . DYANA/DIANA 2 distance NOE simple 2335 parsed_2n2e 1
1 2n2e.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 160 parsed_2n2e 1
1 2n2e.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_2n2e 1
1 2n2e.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n2e 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n2e
_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 . . . . . . . . . . . . . . . . -4.486020213 . . 1.500 . . 121 PHE H . 121 PHE N parsed_2n2e 1
2 . . . . . . . . . . . . . . . . 0.576094957 . . 1.500 . . 122 VAL H . 122 VAL N parsed_2n2e 1
3 . . . . . . . . . . . . . . . . -2.41080131 . . 1.500 . . 123 ILE H . 123 ILE N parsed_2n2e 1
4 . . . . . . . . . . . . . . . . -4.140505134 . . 1.500 . . 124 ASP H . 124 ASP N parsed_2n2e 1
5 . . . . . . . . . . . . . . . . -8.560544028 . . 1.500 . . 126 ASN H . 126 ASN N parsed_2n2e 1
6 . . . . . . . . . . . . . . . . 5.765915906 . . 1.500 . . 127 ASP H . 127 ASP N parsed_2n2e 1
7 . . . . . . . . . . . . . . . . -5.674393431 . . 1.500 . . 128 SER H . 128 SER N parsed_2n2e 1
8 . . . . . . . . . . . . . . . . -3.408325337 . . 1.500 . . 129 ARG H . 129 ARG N parsed_2n2e 1
9 . . . . . . . . . . . . . . . . -19.07924333 . . 1.500 . . 130 LYS H . 130 LYS N parsed_2n2e 1
10 . . . . . . . . . . . . . . . . -9.558777531 . . 1.500 . . 131 ILE H . 131 ILE N parsed_2n2e 1
11 . . . . . . . . . . . . . . . . -7.229566024 . . 1.500 . . 132 ASP H . 132 ASP N parsed_2n2e 1
12 . . . . . . . . . . . . . . . . 1.217461756 . . 1.500 . . 133 TYR H . 133 TYR N parsed_2n2e 1
13 . . . . . . . . . . . . . . . . -2.339144179 . . 1.500 . . 134 MET H . 134 MET N parsed_2n2e 1
14 . . . . . . . . . . . . . . . . -5.79997078 . . 1.500 . . 135 GLY H . 135 GLY N parsed_2n2e 1
15 . . . . . . . . . . . . . . . . 0.588156058 . . 1.500 . . 136 ASN H . 136 ASN N parsed_2n2e 1
16 . . . . . . . . . . . . . . . . -7.198349056 . . 1.500 . . 138 TYR H . 138 TYR N parsed_2n2e 1
17 . . . . . . . . . . . . . . . . -14.62018322 . . 1.500 . . 139 SER H . 139 SER N parsed_2n2e 1
18 . . . . . . . . . . . . . . . . -18.2754064 . . 1.500 . . 140 ILE H . 140 ILE N parsed_2n2e 1
19 . . . . . . . . . . . . . . . . 0.945732238 . . 1.500 . . 142 ASP H . 142 ASP N parsed_2n2e 1
20 . . . . . . . . . . . . . . . . 11.94616612 . . 1.500 . . 144 THR H . 144 THR N parsed_2n2e 1
21 . . . . . . . . . . . . . . . . -10.43214316 . . 1.500 . . 145 VAL H . 145 VAL N parsed_2n2e 1
22 . . . . . . . . . . . . . . . . -4.311488982 . . 1.500 . . 146 SER H . 146 SER N parsed_2n2e 1
23 . . . . . . . . . . . . . . . . 18.77629684 . . 1.500 . . 147 ASP H . 147 ASP N parsed_2n2e 1
24 . . . . . . . . . . . . . . . . 12.31012758 . . 1.500 . . 148 GLU H . 148 GLU N parsed_2n2e 1
25 . . . . . . . . . . . . . . . . 1.047896861 . . 1.500 . . 149 GLU H . 149 GLU N parsed_2n2e 1
26 . . . . . . . . . . . . . . . . 12.96639339 . . 1.500 . . 150 LEU H . 150 LEU N parsed_2n2e 1
27 . . . . . . . . . . . . . . . . -8.986939434 . . 1.500 . . 151 GLY H . 151 GLY N parsed_2n2e 1
28 . . . . . . . . . . . . . . . . -3.413291672 . . 1.500 . . 153 TYR H . 153 TYR N parsed_2n2e 1
29 . . . . . . . . . . . . . . . . 14.14554341 . . 1.500 . . 155 ASP H . 155 ASP N parsed_2n2e 1
30 . . . . . . . . . . . . . . . . 10.2796057 . . 1.500 . . 156 VAL H . 156 VAL N parsed_2n2e 1
31 . . . . . . . . . . . . . . . . 6.826583345 . . 1.500 . . 157 LEU H . 157 LEU N parsed_2n2e 1
32 . . . . . . . . . . . . . . . . -3.62968202 . . 1.500 . . 158 ALA H . 158 ALA N parsed_2n2e 1
33 . . . . . . . . . . . . . . . . -8.129891764 . . 1.500 . . 159 GLU H . 159 GLU N parsed_2n2e 1
34 . . . . . . . . . . . . . . . . -3.929790599 . . 1.500 . . 160 VAL H . 160 VAL N parsed_2n2e 1
35 . . . . . . . . . . . . . . . . -0.917353177 . . 1.500 . . 161 ARG H . 161 ARG N parsed_2n2e 1
36 . . . . . . . . . . . . . . . . 4.617982851 . . 1.500 . . 162 VAL H . 162 VAL N parsed_2n2e 1
37 . . . . . . . . . . . . . . . . 12.49884835 . . 1.500 . . 164 ASP H . 164 ASP N parsed_2n2e 1
38 . . . . . . . . . . . . . . . . -12.43783336 . . 1.500 . . 166 VAL H . 166 VAL N parsed_2n2e 1
39 . . . . . . . . . . . . . . . . -6.37748469 . . 1.500 . . 167 SER H . 167 SER N parsed_2n2e 1
40 . . . . . . . . . . . . . . . . 12.55915385 . . 1.500 . . 168 GLY H . 168 GLY N parsed_2n2e 1
41 . . . . . . . . . . . . . . . . 6.236298857 . . 1.500 . . 169 LYS H . 169 LYS N parsed_2n2e 1
42 . . . . . . . . . . . . . . . . 13.03946948 . . 1.500 . . 170 SER H . 170 SER N parsed_2n2e 1
43 . . . . . . . . . . . . . . . . -5.569390902 . . 1.500 . . 171 ILE H . 171 ILE N parsed_2n2e 1
44 . . . . . . . . . . . . . . . . 10.87911339 . . 1.500 . . 174 SER H . 174 SER N parsed_2n2e 1
45 . . . . . . . . . . . . . . . . 10.43001473 . . 1.500 . . 176 TRP H . 176 TRP N parsed_2n2e 1
46 . . . . . . . . . . . . . . . . 1.183406882 . . 1.500 . . 177 GLY H . 177 GLY N parsed_2n2e 1
47 . . . . . . . . . . . . . . . . 9.750336199 . . 1.500 . . 192 GLU H . 192 GLU N parsed_2n2e 1
48 . . . . . . . . . . . . . . . . -2.469687864 . . 1.500 . . 193 TRP H . 193 TRP N parsed_2n2e 1
49 . . . . . . . . . . . . . . . . -10.51231401 . . 1.500 . . 195 TYR H . 195 TYR N parsed_2n2e 1
50 . . . . . . . . . . . . . . . . 1.369289738 . . 1.500 . . 196 GLY H . 196 GLY N parsed_2n2e 1
51 . . . . . . . . . . . . . . . . 13.66451831 . . 1.500 . . 197 GLU H . 197 GLU N parsed_2n2e 1
52 . . . . . . . . . . . . . . . . 8.76771118 . . 1.500 . . 198 ILE H . 198 ILE N parsed_2n2e 1
53 . . . . . . . . . . . . . . . . 5.860276286 . . 1.500 . . 199 HIS H . 199 HIS N parsed_2n2e 1
54 . . . . . . . . . . . . . . . . 0.830087561 . . 1.500 . . 200 SER H . 200 SER N parsed_2n2e 1
55 . . . . . . . . . . . . . . . . 11.06286781 . . 1.500 . . 201 ILE H . 201 ILE N parsed_2n2e 1
56 . . . . . . . . . . . . . . . . 7.435314223 . . 1.500 . . 203 GLY H . 203 GLY N parsed_2n2e 1
57 . . . . . . . . . . . . . . . . 1.858828556 . . 1.500 . . 204 LYS H . 204 LYS N parsed_2n2e 1
58 . . . . . . . . . . . . . . . . 0.495924107 . . 1.500 . . 205 SER H . 205 SER N parsed_2n2e 1
59 . . . . . . . . . . . . . . . . 1.960993179 . . 1.500 . . 206 LEU H . 206 LEU N parsed_2n2e 1
60 . . . . . . . . . . . . . . . . -12.3278645 . . 1.500 . . 207 THR H . 207 THR N parsed_2n2e 1
61 . . . . . . . . . . . . . . . . -5.433171405 . . 1.500 . . 208 GLU H . 208 GLU N parsed_2n2e 1
62 . . . . . . . . . . . . . . . . -1.35651916 . . 1.500 . . 210 PHE H . 210 PHE N parsed_2n2e 1
63 . . . . . . . . . . . . . . . . 4.566900539 . . 1.500 . . 211 ALA H . 211 ALA N parsed_2n2e 1
64 . . . . . . . . . . . . . . . . 8.840787265 . . 1.500 . . 212 VAL H . 212 VAL N parsed_2n2e 1
65 . . . . . . . . . . . . . . . . 11.69075456 . . 1.500 . . 213 GLU H . 213 GLU N parsed_2n2e 1
66 . . . . . . . . . . . . . . . . -7.840425332 . . 1.500 . . 214 ILE H . 214 ILE N parsed_2n2e 1
67 . . . . . . . . . . . . . . . . 3.075580836 . . 1.500 . . 215 ASN H . 215 ASN N parsed_2n2e 1
68 . . . . . . . . . . . . . . . . 9.694997028 . . 1.500 . . 216 ASP H . 216 ASP N parsed_2n2e 1
69 . . . . . . . . . . . . . . . . -11.08060473 . . 1.500 . . 217 ASP H . 217 ASP N parsed_2n2e 1
70 . . . . . . . . . . . . . . . . -4.302265787 . . 1.500 . . 218 PHE H . 218 PHE N parsed_2n2e 1
71 . . . . . . . . . . . . . . . . -0.589575011 . . 1.500 . . 219 LYS H . 219 LYS N parsed_2n2e 1
72 . . . . . . . . . . . . . . . . 12.49033463 . . 1.500 . . 220 LEU H . 220 LEU N parsed_2n2e 1
73 . . . . . . . . . . . . . . . . -2.542054471 . . 1.500 . . 221 ALA H . 221 ALA N parsed_2n2e 1
74 . . . . . . . . . . . . . . . . -8.373951696 . . 1.500 . . 222 THR H . 222 THR N parsed_2n2e 1
75 . . . . . . . . . . . . . . . . -15.61557882 . . 1.500 . . 223 LYS H . 223 LYS N parsed_2n2e 1
76 . . . . . . . . . . . . . . . . -2.368942194 . . 1.500 . . 224 VAL H . 224 VAL N parsed_2n2e 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Tensor Magnitude Rhombicity Residue" 1 1 1 36 parsed_2n2e 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 6.016 0.616 900" 2 7 2 37 parsed_2n2e 1
stop_
save_
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