NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
33441 |
1ibi   |
5065 | cing | 2-parsed | STAR | dihedral angle | 112 |
data_1ibi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ibi
_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_1ibi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ibi
_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 1ibi "Master copy" parsed_1ibi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ibi
_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 1ibi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ibi 1
1 1ibi.mr . . XPLOR/CNS 2 distance NOE simple 642 parsed_1ibi 1
1 1ibi.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 112 parsed_1ibi 1
1 1ibi.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1ibi 1
1 1ibi.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ibi 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ibi
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 122 . C PEPT 123 . N PEPT 123 . CA PEPT 123 . C parsed_1ibi 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 126 . C PEPT 127 . N PEPT 127 . CA PEPT 127 . C parsed_1ibi 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 127 . C PEPT 128 . N PEPT 128 . CA PEPT 128 . C parsed_1ibi 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 130 . C PEPT 131 . N PEPT 131 . CA PEPT 131 . C parsed_1ibi 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 133 . C PEPT 134 . N PEPT 134 . CA PEPT 134 . C parsed_1ibi 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 137 . C PEPT 138 . N PEPT 138 . CA PEPT 138 . C parsed_1ibi 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 139 . C PEPT 140 . N PEPT 140 . CA PEPT 140 . C parsed_1ibi 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 143 . C PEPT 144 . N PEPT 144 . CA PEPT 144 . C parsed_1ibi 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 148 . C PEPT 149 . N PEPT 149 . CA PEPT 149 . C parsed_1ibi 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 149 . C PEPT 150 . N PEPT 150 . CA PEPT 150 . C parsed_1ibi 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 153 . C PEPT 154 . N PEPT 154 . CA PEPT 154 . C parsed_1ibi 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 159 . C PEPT 160 . N PEPT 160 . CA PEPT 160 . C parsed_1ibi 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 160 . C PEPT 161 . N PEPT 161 . CA PEPT 161 . C parsed_1ibi 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 161 . C PEPT 162 . N PEPT 162 . CA PEPT 162 . C parsed_1ibi 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 164 . C PEPT 165 . N PEPT 165 . CA PEPT 165 . C parsed_1ibi 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 165 . C PEPT 166 . N PEPT 166 . CA PEPT 166 . C parsed_1ibi 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 166 . C PEPT 167 . N PEPT 167 . CA PEPT 167 . C parsed_1ibi 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.000 -38.000 . PEPT 119 . C PEPT 120 . N PEPT 120 . CA PEPT 120 . C parsed_1ibi 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -80.000 . PEPT 121 . C PEPT 122 . N PEPT 122 . CA PEPT 122 . C parsed_1ibi 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -80.000 . PEPT 122 . C PEPT 123 . N PEPT 123 . CA PEPT 123 . C parsed_1ibi 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.000 148.000 . PEPT 123 . C PEPT 124 . N PEPT 124 . CA PEPT 124 . C parsed_1ibi 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.000 -82.000 . PEPT 140 . C PEPT 141 . N PEPT 141 . CA PEPT 141 . C parsed_1ibi 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . PEPT 143 . C PEPT 144 . N PEPT 144 . CA PEPT 144 . C parsed_1ibi 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . PEPT 144 . C PEPT 145 . N PEPT 145 . CA PEPT 145 . C parsed_1ibi 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.000 -74.000 . PEPT 146 . C PEPT 147 . N PEPT 147 . CA PEPT 147 . C parsed_1ibi 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.000 -94.000 . PEPT 149 . C PEPT 150 . N PEPT 150 . CA PEPT 150 . C parsed_1ibi 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.000 88.000 . PEPT 150 . C PEPT 151 . N PEPT 151 . CA PEPT 151 . C parsed_1ibi 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.000 -42.000 . PEPT 167 . C PEPT 168 . N PEPT 168 . CA PEPT 168 . C parsed_1ibi 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.000 -12.000 . PEPT 168 . C PEPT 169 . N PEPT 169 . CA PEPT 169 . C parsed_1ibi 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . PEPT 170 . C PEPT 171 . N PEPT 171 . CA PEPT 171 . C parsed_1ibi 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.000 -28.000 . PEPT 171 . C PEPT 172 . N PEPT 172 . CA PEPT 172 . C parsed_1ibi 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.000 136.000 . PEPT 120 . N PEPT 120 . CA PEPT 120 . C PEPT 121 . N parsed_1ibi 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.000 -14.000 . PEPT 122 . N PEPT 122 . CA PEPT 122 . C PEPT 123 . N parsed_1ibi 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.000 26.000 . PEPT 123 . N PEPT 123 . CA PEPT 123 . C PEPT 124 . N parsed_1ibi 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.000 30.000 . PEPT 124 . N PEPT 124 . CA PEPT 124 . C PEPT 125 . N parsed_1ibi 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.000 166.000 . PEPT 141 . N PEPT 141 . CA PEPT 141 . C PEPT 142 . N parsed_1ibi 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.000 32.000 . PEPT 144 . N PEPT 144 . CA PEPT 144 . C PEPT 145 . N parsed_1ibi 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.000 104.000 . PEPT 145 . N PEPT 145 . CA PEPT 145 . C PEPT 146 . N parsed_1ibi 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.000 162.000 . PEPT 147 . N PEPT 147 . CA PEPT 147 . C PEPT 148 . N parsed_1ibi 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.000 28.000 . PEPT 150 . N PEPT 150 . CA PEPT 150 . C PEPT 151 . N parsed_1ibi 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 10.000 . PEPT 151 . N PEPT 151 . CA PEPT 151 . C PEPT 152 . N parsed_1ibi 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 200.000 . PEPT 168 . N PEPT 168 . CA PEPT 168 . C PEPT 169 . N parsed_1ibi 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.000 4.000 . PEPT 169 . N PEPT 169 . CA PEPT 169 . C PEPT 170 . N parsed_1ibi 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.000 2.000 . PEPT 171 . N PEPT 171 . CA PEPT 171 . C PEPT 172 . N parsed_1ibi 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.000 4.000 . PEPT 172 . N PEPT 172 . CA PEPT 172 . C PEPT 173 . N parsed_1ibi 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.38 163.38 . . 141 . n . 141 . ca . 141 . c . 142 . n parsed_1ibi 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 117 . CA . 117 . C . 118 . N . 118 . CA parsed_1ibi 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 118 . CA . 118 . C . 119 . N . 119 . CA parsed_1ibi 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 119 . CA . 119 . C . 120 . N . 120 . CA parsed_1ibi 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 120 . CA . 120 . C . 121 . N . 121 . CA parsed_1ibi 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 121 . CA . 121 . C . 122 . N . 122 . CA parsed_1ibi 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 122 . CA . 122 . C . 123 . N . 123 . CA parsed_1ibi 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 123 . CA . 123 . C . 124 . N . 124 . CA parsed_1ibi 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 124 . CA . 124 . C . 125 . N . 125 . CA parsed_1ibi 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 125 . CA . 125 . C . 126 . N . 126 . CA parsed_1ibi 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 126 . CA . 126 . C . 127 . N . 127 . CA parsed_1ibi 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 127 . CA . 127 . C . 128 . N . 128 . CA parsed_1ibi 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 128 . CA . 128 . C . 129 . N . 129 . CA parsed_1ibi 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 129 . CA . 129 . C . 130 . N . 130 . CA parsed_1ibi 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 130 . CA . 130 . C . 131 . N . 131 . CA parsed_1ibi 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 131 . CA . 131 . C . 132 . N . 132 . CA parsed_1ibi 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 132 . CA . 132 . C . 133 . N . 133 . CA parsed_1ibi 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 133 . CA . 133 . C . 134 . N . 134 . CA parsed_1ibi 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 134 . CA . 134 . C . 135 . N . 135 . CA parsed_1ibi 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 135 . CA . 135 . C . 136 . N . 136 . CA parsed_1ibi 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 136 . CA . 136 . C . 137 . N . 137 . CA parsed_1ibi 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 137 . CA . 137 . C . 138 . N . 138 . CA parsed_1ibi 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 138 . CA . 138 . C . 139 . N . 139 . CA parsed_1ibi 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 139 . CA . 139 . C . 140 . N . 140 . CA parsed_1ibi 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 140 . CA . 140 . C . 141 . N . 141 . CA parsed_1ibi 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 141 . CA . 141 . C . 142 . N . 142 . CA parsed_1ibi 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 142 . CA . 142 . C . 143 . N . 143 . CA parsed_1ibi 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 143 . CA . 143 . C . 144 . N . 144 . CA parsed_1ibi 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 144 . CA . 144 . C . 145 . N . 145 . CA parsed_1ibi 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 145 . CA . 145 . C . 146 . N . 146 . CA parsed_1ibi 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 146 . CA . 146 . C . 147 . N . 147 . CA parsed_1ibi 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 147 . CA . 147 . C . 148 . N . 148 . CA parsed_1ibi 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 148 . CA . 148 . C . 149 . N . 149 . CA parsed_1ibi 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 149 . CA . 149 . C . 150 . N . 150 . CA parsed_1ibi 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 150 . CA . 150 . C . 151 . N . 151 . CA parsed_1ibi 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 151 . CA . 151 . C . 152 . N . 152 . CA parsed_1ibi 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 152 . CA . 152 . C . 153 . N . 153 . CA parsed_1ibi 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 153 . CA . 153 . C . 154 . N . 154 . CA parsed_1ibi 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 154 . CA . 154 . C . 155 . N . 155 . CA parsed_1ibi 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 155 . CA . 155 . C . 156 . N . 156 . CA parsed_1ibi 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 156 . CA . 156 . C . 157 . N . 157 . CA parsed_1ibi 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 157 . CA . 157 . C . 158 . N . 158 . CA parsed_1ibi 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 158 . CA . 158 . C . 159 . N . 159 . CA parsed_1ibi 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 159 . CA . 159 . C . 160 . N . 160 . CA parsed_1ibi 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 160 . CA . 160 . C . 161 . N . 161 . CA parsed_1ibi 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 161 . CA . 161 . C . 162 . N . 162 . CA parsed_1ibi 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 162 . CA . 162 . C . 163 . N . 163 . CA parsed_1ibi 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 163 . CA . 163 . C . 164 . N . 164 . CA parsed_1ibi 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 164 . CA . 164 . C . 165 . N . 165 . CA parsed_1ibi 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 165 . CA . 165 . C . 166 . N . 166 . CA parsed_1ibi 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 166 . CA . 166 . C . 167 . N . 167 . CA parsed_1ibi 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 167 . CA . 167 . C . 168 . N . 168 . CA parsed_1ibi 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 168 . CA . 168 . C . 169 . N . 169 . CA parsed_1ibi 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 169 . CA . 169 . C . 170 . N . 170 . CA parsed_1ibi 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 170 . CA . 170 . C . 171 . N . 171 . CA parsed_1ibi 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 171 . CA . 171 . C . 172 . N . 172 . CA parsed_1ibi 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 172 . CA . 172 . C . 173 . N . 173 . CA parsed_1ibi 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.00 198.00 . . 173 . CA . 173 . C . 174 . N . 174 . CA parsed_1ibi 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 127 . N . 127 . CA . 127 . CB . 127 . CG1 parsed_1ibi 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 132 . N . 132 . CA . 132 . CB . 132 . CG parsed_1ibi 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 134 . N . 134 . CA . 134 . CB . 134 . CG1 parsed_1ibi 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 154 . N . 154 . CA . 154 . CB . 154 . CG1 parsed_1ibi 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 158 . N . 158 . CA . 158 . CB . 158 . CG1 parsed_1ibi 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 160 . N . 160 . CA . 160 . CB . 160 . CG1 parsed_1ibi 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 161 . N . 161 . CA . 161 . CB . 161 . CG1 parsed_1ibi 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 161 . N . 161 . CA . 161 . CB . 161 . CG1 parsed_1ibi 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 174 . N . 174 . CA . 174 . CB . 174 . CG1 parsed_1ibi 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
dihedral constraints
------------------------------------------------------------------------------
PHI: 3J(HnHa) MQ-experiment, qualitative constraints "Significant coupling"
123
;
1 1 4 5 parsed_1ibi 1
2 127 9 1 9 5 parsed_1ibi 1
3 128 14 1 14 5 parsed_1ibi 1
4 131 19 1 19 5 parsed_1ibi 1
5 134 24 1 24 5 parsed_1ibi 1
6 138 29 1 29 5 parsed_1ibi 1
7 140 34 1 34 5 parsed_1ibi 1
8 144 39 1 39 5 parsed_1ibi 1
9 149 44 1 44 5 parsed_1ibi 1
10 150 49 1 49 5 parsed_1ibi 1
11 154 54 1 54 5 parsed_1ibi 1
12 160 59 1 59 5 parsed_1ibi 1
13 161 64 1 64 5 parsed_1ibi 1
14 162 69 1 69 5 parsed_1ibi 1
15 165 74 1 74 5 parsed_1ibi 1
16 166 79 1 79 5 parsed_1ibi 1
17 167 84 1 84 5 parsed_1ibi 1
18
;
------------------------------------------------------------------------------
PHI: hncaco experiment (dihedrals phi psi calc. from rates)
120
;
90 1 92 5 parsed_1ibi 1
19 122 97 1 97 5 parsed_1ibi 1
20 123b 102 1 102 6 parsed_1ibi 1
21 124 107 1 107 5 parsed_1ibi 1
22 141a 112 1 112 6 parsed_1ibi 1
23 144b 117 1 117 6 parsed_1ibi 1
24 145 122 1 122 5 parsed_1ibi 1
25 147 127 1 127 5 parsed_1ibi 1
26 150a 132 1 132 6 parsed_1ibi 1
27 151 137 1 137 5 parsed_1ibi 1
28 168 142 1 142 5 parsed_1ibi 1
29 169 147 1 147 5 parsed_1ibi 1
30 171 152 1 152 5 parsed_1ibi 1
31 172b 157 1 157 6 parsed_1ibi 1
32
;
------------------------------------------------------------------------------
PSI: hncaco experiment (dihedrals phi psi calc. from rates)
120
;
162 1 164 5 parsed_1ibi 1
33 122 169 1 169 5 parsed_1ibi 1
34 123b 174 1 174 6 parsed_1ibi 1
35 124 179 1 179 5 parsed_1ibi 1
36 141a 184 1 184 6 parsed_1ibi 1
37 144b 189 1 189 6 parsed_1ibi 1
38 145 194 1 194 5 parsed_1ibi 1
39 147 199 1 199 5 parsed_1ibi 1
40 150a 204 1 204 6 parsed_1ibi 1
41 151 209 1 209 5 parsed_1ibi 1
42 168 214 1 214 5 parsed_1ibi 1
43 169 219 1 219 5 parsed_1ibi 1
44 171 224 1 224 5 parsed_1ibi 1
45 172b 229 1 229 6 parsed_1ibi 1
46
;
------------------------------------------------------------------------------
other PSI
141
;
235 1 237 5 parsed_1ibi 1
47
;
------------------------------------------------------------------------------
OMEGA "trans"
;
240 1 241 16 parsed_1ibi 1
48
;
------------------------------------------------------------------------------
CHI1
JNCg/JCOCg experiments
>75% population in rotamer distribution as restraint
resid=127 J=0.98/0.73 chi1 = 60
popul=17.1%(180) 6.0%(-60) 76.9%(60)
;
584 1 589 38 parsed_1ibi 1
49
;
resid=132 J=2.95/0.94 chi1 = 180
popul=114%(180) 12.9%(-60) -27.5%(60)
;
594 1 595 39 parsed_1ibi 1
50
;
resid=134 J=1.09/3.19 chi1 = -60
popul=0%(180) 89%(-60) 0%(60)
;
600 1 601 31 parsed_1ibi 1
51
;
also kompatible
resid=154
popul=67%(180) 102%(-60) -69%(60)
;
606 1 608 35 parsed_1ibi 1
52
;
resid=158
popul=0%(180) 69%(-60) 35%(60)
;
613 1 614 32 parsed_1ibi 1
53
;
resid=160
popul=13%(180) 25%(-60) 61%(60)
;
619 1 620 33 parsed_1ibi 1
54
;
resid=161
popul=34%(180) 457%(-60) -391%(60)
;
625 1 626 36 parsed_1ibi 1
55
;
resid=165
popul=4%(180) 379%(-60) -284%(60)
;
631 1 632 35 parsed_1ibi 1
56
;
resid=174
popul=65%(180) 2%(-60) 33%(60)
;
637 1 638 32 parsed_1ibi 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 2:16:29 PM GMT (wattos1)