NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
598708 |
2myi   |
19558 | cing | 2-parsed | STAR | dipolar coupling | 98 |
data_2myi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2myi
_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_2myi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2myi
_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 2myi "Master copy" parsed_2myi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2myi
_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 2myi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 2 distance NOE simple 814 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 372 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 4 distance NOE simple 225 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 5 distance PRE "Not applicable" 130 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 98 parsed_2myi 1
1 2myi.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2myi 1
1 2myi.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2myi 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2myi
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -5.0914 . . . . . 11 . N . 11 . HN parsed_2myi 1
2 . . . . . . . . . . . . . . . . -21.3871 . . . . . 12 . N . 12 . HN parsed_2myi 1
3 . . . . . . . . . . . . . . . . -14.9714 . . . . . 13 . N . 13 . HN parsed_2myi 1
4 . . . . . . . . . . . . . . . . -7.5469 . . . . . 14 . N . 14 . HN parsed_2myi 1
5 . . . . . . . . . . . . . . . . -12.3571 . . . . . 15 . N . 15 . HN parsed_2myi 1
6 . . . . . . . . . . . . . . . . -24.3253 . . . . . 16 . N . 16 . HN parsed_2myi 1
7 . . . . . . . . . . . . . . . . -2.7582 . . . . . 19 . N . 19 . HN parsed_2myi 1
8 . . . . . . . . . . . . . . . . 22.2798 . . . . . 20 . N . 20 . HN parsed_2myi 1
9 . . . . . . . . . . . . . . . . 5.4764 . . . . . 21 . N . 21 . HN parsed_2myi 1
10 . . . . . . . . . . . . . . . . -9.2240 . . . . . 22 . N . 22 . HN parsed_2myi 1
11 . . . . . . . . . . . . . . . . -7.0755 . . . . . 29 . N . 29 . HN parsed_2myi 1
12 . . . . . . . . . . . . . . . . 15.3306 . . . . . 36 . N . 36 . HN parsed_2myi 1
13 . . . . . . . . . . . . . . . . 24.7791 . . . . . 41 . N . 41 . HN parsed_2myi 1
14 . . . . . . . . . . . . . . . . -14.5176 . . . . . 43 . N . 43 . HN parsed_2myi 1
15 . . . . . . . . . . . . . . . . -14.5696 . . . . . 44 . N . 44 . HN parsed_2myi 1
16 . . . . . . . . . . . . . . . . 26.6362 . . . . . 53 . N . 53 . HN parsed_2myi 1
17 . . . . . . . . . . . . . . . . -3.5749 . . . . . 55 . N . 55 . HN parsed_2myi 1
18 . . . . . . . . . . . . . . . . -5.0662 . . . . . 57 . N . 57 . HN parsed_2myi 1
19 . . . . . . . . . . . . . . . . 0.7777 . . . . . 58 . N . 58 . HN parsed_2myi 1
20 . . . . . . . . . . . . . . . . 5.7716 . . . . . 61 . N . 61 . HN parsed_2myi 1
21 . . . . . . . . . . . . . . . . 8.2115 . . . . . 62 . N . 62 . HN parsed_2myi 1
22 . . . . . . . . . . . . . . . . 10.3442 . . . . . 64 . N . 64 . HN parsed_2myi 1
23 . . . . . . . . . . . . . . . . 0.4047 . . . . . 67 . N . 67 . HN parsed_2myi 1
24 . . . . . . . . . . . . . . . . 2.5187 . . . . . 73 . N . 73 . HN parsed_2myi 1
25 . . . . . . . . . . . . . . . . -1.3559 . . . . . 78 . N . 78 . HN parsed_2myi 1
26 . . . . . . . . . . . . . . . . -3.2593 . . . . . 79 . N . 79 . HN parsed_2myi 1
27 . . . . . . . . . . . . . . . . -1.2102 . . . . . 80 . N . 80 . HN parsed_2myi 1
28 . . . . . . . . . . . . . . . . -0.3954 . . . . . 81 . N . 81 . HN parsed_2myi 1
29 . . . . . . . . . . . . . . . . 3.0913 . . . . . 82 . N . 82 . HN parsed_2myi 1
30 . . . . . . . . . . . . . . . . 5.1656 . . . . . 87 . N . 87 . HN parsed_2myi 1
31 . . . . . . . . . . . . . . . . 10.9910 . . . . . 88 . N . 88 . HN parsed_2myi 1
32 . . . . . . . . . . . . . . . . -15.2461 . . . . . 93 . N . 93 . HN parsed_2myi 1
33 . . . . . . . . . . . . . . . . 0.8093 . . . . . 94 . N . 94 . HN parsed_2myi 1
34 . . . . . . . . . . . . . . . . -9.1692 . . . . . 96 . N . 96 . HN parsed_2myi 1
35 . . . . . . . . . . . . . . . . 7.4217 . . . . . 98 . N . 98 . HN parsed_2myi 1
36 . . . . . . . . . . . . . . . . 13.1413 . . . . . 103 . N . 103 . HN parsed_2myi 1
37 . . . . . . . . . . . . . . . . -3.7419 . . . . . 106 . N . 106 . HN parsed_2myi 1
38 . . . . . . . . . . . . . . . . 3.0635 . . . . . 107 . N . 107 . HN parsed_2myi 1
39 . . . . . . . . . . . . . . . . 6.2440 . . . . . 116 . N . 116 . HN parsed_2myi 1
40 . . . . . . . . . . . . . . . . 26.4654 . . . . . 117 . N . 117 . HN parsed_2myi 1
41 . . . . . . . . . . . . . . . . 14.6187 . . . . . 118 . N . 118 . HN parsed_2myi 1
42 . . . . . . . . . . . . . . . . 18.4498 . . . . . 120 . N . 120 . HN parsed_2myi 1
43 . . . . . . . . . . . . . . . . 29.9243 . . . . . 121 . N . 121 . HN parsed_2myi 1
44 . . . . . . . . . . . . . . . . 15.5904 . . . . . 122 . N . 122 . HN parsed_2myi 1
45 . . . . . . . . . . . . . . . . 27.6942 . . . . . 124 . N . 124 . HN parsed_2myi 1
46 . . . . . . . . . . . . . . . . 9.9005 . . . . . 126 . N . 126 . HN parsed_2myi 1
47 . . . . . . . . . . . . . . . . 13.3566 . . . . . 129 . N . 129 . HN parsed_2myi 1
48 . . . . . . . . . . . . . . . . -3.7559 . . . . . 130 . N . 130 . HN parsed_2myi 1
49 . . . . . . . . . . . . . . . . 20.9964 . . . . . 131 . N . 131 . HN parsed_2myi 1
50 . . . . . . . . . . . . . . . . 22.8794 . . . . . 132 . N . 132 . HN parsed_2myi 1
51 . . . . . . . . . . . . . . . . 7.9757 . . . . . 133 . N . 133 . HN parsed_2myi 1
52 . . . . . . . . . . . . . . . . 6.0908 . . . . . 134 . N . 134 . HN parsed_2myi 1
53 . . . . . . . . . . . . . . . . -21.0854 . . . . . 137 . N . 137 . HN parsed_2myi 1
54 . . . . . . . . . . . . . . . . 4.6477 . . . . . 138 . N . 138 . HN parsed_2myi 1
55 . . . . . . . . . . . . . . . . -23.7554 . . . . . 142 . N . 142 . HN parsed_2myi 1
56 . . . . . . . . . . . . . . . . 8.8221 . . . . . 145 . N . 145 . HN parsed_2myi 1
57 . . . . . . . . . . . . . . . . -4.2357 . . . . . 146 . N . 146 . HN parsed_2myi 1
58 . . . . . . . . . . . . . . . . 5.2445 . . . . . 147 . N . 147 . HN parsed_2myi 1
59 . . . . . . . . . . . . . . . . -3.3884 . . . . . 148 . N . 148 . HN parsed_2myi 1
60 . . . . . . . . . . . . . . . . 2.1911 . . . . . 160 . N . 160 . HN parsed_2myi 1
61 . . . . . . . . . . . . . . . . -8.7553 . . . . . 161 . N . 161 . HN parsed_2myi 1
62 . . . . . . . . . . . . . . . . -14.9788 . . . . . 162 . N . 162 . HN parsed_2myi 1
63 . . . . . . . . . . . . . . . . -24.4598 . . . . . 163 . N . 163 . HN parsed_2myi 1
64 . . . . . . . . . . . . . . . . 7.8485 . . . . . 164 . N . 164 . HN parsed_2myi 1
65 . . . . . . . . . . . . . . . . 3.3827 . . . . . 174 . N . 174 . HN parsed_2myi 1
66 . . . . . . . . . . . . . . . . -3.5442 . . . . . 175 . N . 175 . HN parsed_2myi 1
67 . . . . . . . . . . . . . . . . -2.0102 . . . . . 176 . N . 176 . HN parsed_2myi 1
68 . . . . . . . . . . . . . . . . 6.4129 . . . . . 178 . N . 178 . HN parsed_2myi 1
69 . . . . . . . . . . . . . . . . -3.2055 . . . . . 179 . N . 179 . HN parsed_2myi 1
70 . . . . . . . . . . . . . . . . 16.1928 . . . . . 180 . N . 180 . HN parsed_2myi 1
71 . . . . . . . . . . . . . . . . 20.3959 . . . . . 181 . N . 181 . HN parsed_2myi 1
72 . . . . . . . . . . . . . . . . 20.3041 . . . . . 185 . N . 185 . HN parsed_2myi 1
73 . . . . . . . . . . . . . . . . -14.6215 . . . . . 186 . N . 186 . HN parsed_2myi 1
74 . . . . . . . . . . . . . . . . 2.1456 . . . . . 190 . N . 190 . HN parsed_2myi 1
75 . . . . . . . . . . . . . . . . -7.9665 . . . . . 192 . N . 192 . HN parsed_2myi 1
76 . . . . . . . . . . . . . . . . 12.9770 . . . . . 208 . N . 208 . HN parsed_2myi 1
77 . . . . . . . . . . . . . . . . 8.5085 . . . . . 211 . N . 211 . HN parsed_2myi 1
78 . . . . . . . . . . . . . . . . 4.4157 . . . . . 212 . N . 212 . HN parsed_2myi 1
79 . . . . . . . . . . . . . . . . -2.6691 . . . . . 213 . N . 213 . HN parsed_2myi 1
80 . . . . . . . . . . . . . . . . 2.1401 . . . . . 219 . N . 219 . HN parsed_2myi 1
81 . . . . . . . . . . . . . . . . -5.7791 . . . . . 220 . N . 220 . HN parsed_2myi 1
82 . . . . . . . . . . . . . . . . -3.2844 . . . . . 221 . N . 221 . HN parsed_2myi 1
83 . . . . . . . . . . . . . . . . -2.8037 . . . . . 222 . N . 222 . HN parsed_2myi 1
84 . . . . . . . . . . . . . . . . 9.8671 . . . . . 223 . N . 223 . HN parsed_2myi 1
85 . . . . . . . . . . . . . . . . -7.7883 . . . . . 224 . N . 224 . HN parsed_2myi 1
86 . . . . . . . . . . . . . . . . -26.4227 . . . . . 228 . N . 228 . HN parsed_2myi 1
87 . . . . . . . . . . . . . . . . -4.5493 . . . . . 229 . N . 229 . HN parsed_2myi 1
88 . . . . . . . . . . . . . . . . 21.8159 . . . . . 230 . N . 230 . HN parsed_2myi 1
89 . . . . . . . . . . . . . . . . -19.1820 . . . . . 231 . N . 231 . HN parsed_2myi 1
90 . . . . . . . . . . . . . . . . -4.3396 . . . . . 234 . N . 234 . HN parsed_2myi 1
91 . . . . . . . . . . . . . . . . -2.7257 . . . . . 235 . N . 235 . HN parsed_2myi 1
92 . . . . . . . . . . . . . . . . -5.9544 . . . . . 236 . N . 236 . HN parsed_2myi 1
93 . . . . . . . . . . . . . . . . -1.2696 . . . . . 237 . N . 237 . HN parsed_2myi 1
94 . . . . . . . . . . . . . . . . -4.0713 . . . . . 249 . N . 249 . HN parsed_2myi 1
95 . . . . . . . . . . . . . . . . 1.5304 . . . . . 250 . N . 250 . HN parsed_2myi 1
96 . . . . . . . . . . . . . . . . -4.9726 . . . . . 251 . N . 251 . HN parsed_2myi 1
97 . . . . . . . . . . . . . . . . -8.3999 . . . . . 252 . N . 252 . HN parsed_2myi 1
98 . . . . . . . . . . . . . . . . -1.4849 . . . . . 253 . N . 253 . HN parsed_2myi 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
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 108 and name N )
! ( resid 108 and name HN ) 1.6612 4.0
;
267 1 272 53 parsed_2myi 1
stop_
save_
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