NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
579091 |
2moz   |
19115 | cing | 2-parsed | STAR | dipolar coupling | 123 |
data_2moz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2moz
_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_2moz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2moz
_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 2moz "Master copy" parsed_2moz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2moz
_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 2moz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2moz 1
1 2moz.mr . . XPLOR/CNS 2 distance NOE simple 49 parsed_2moz 1
1 2moz.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 134 parsed_2moz 1
1 2moz.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 123 parsed_2moz 1
1 2moz.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2moz 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2moz
_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 . . . . . . . . . . . . . . . . 10.816 . . . . . 5 . N . 5 . HN parsed_2moz 1
2 . . . . . . . . . . . . . . . . 16.656 . . . . . 7 . N . 7 . HN parsed_2moz 1
3 . . . . . . . . . . . . . . . . 16.902 . . . . . 8 . N . 8 . HN parsed_2moz 1
4 . . . . . . . . . . . . . . . . 15.092 . . . . . 11 . N . 11 . HN parsed_2moz 1
5 . . . . . . . . . . . . . . . . 16.75 . . . . . 12 . N . 12 . HN parsed_2moz 1
6 . . . . . . . . . . . . . . . . 13.768 . . . . . 13 . N . 13 . HN parsed_2moz 1
7 . . . . . . . . . . . . . . . . 17.734 . . . . . 15 . N . 15 . HN parsed_2moz 1
8 . . . . . . . . . . . . . . . . 15.384 . . . . . 18 . N . 18 . HN parsed_2moz 1
9 . . . . . . . . . . . . . . . . 15.424 . . . . . 19 . N . 19 . HN parsed_2moz 1
10 . . . . . . . . . . . . . . . . 13.572 . . . . . 20 . N . 20 . HN parsed_2moz 1
11 . . . . . . . . . . . . . . . . 11.846 . . . . . 21 . N . 21 . HN parsed_2moz 1
12 . . . . . . . . . . . . . . . . 18.52 . . . . . 22 . N . 22 . HN parsed_2moz 1
13 . . . . . . . . . . . . . . . . 15.344 . . . . . 24 . N . 24 . HN parsed_2moz 1
14 . . . . . . . . . . . . . . . . 12.956 . . . . . 26 . N . 26 . HN parsed_2moz 1
15 . . . . . . . . . . . . . . . . 18.714 . . . . . 27 . N . 27 . HN parsed_2moz 1
16 . . . . . . . . . . . . . . . . 14.894 . . . . . 28 . N . 28 . HN parsed_2moz 1
17 . . . . . . . . . . . . . . . . 11.96 . . . . . 29 . N . 29 . HN parsed_2moz 1
18 . . . . . . . . . . . . . . . . 15.620 . . . . . 30 . N . 30 . HN parsed_2moz 1
19 . . . . . . . . . . . . . . . . 17.294 . . . . . 31 . N . 31 . HN parsed_2moz 1
20 . . . . . . . . . . . . . . . . 16.51 . . . . . 33 . N . 33 . HN parsed_2moz 1
21 . . . . . . . . . . . . . . . . 15.384 . . . . . 34 . N . 34 . HN parsed_2moz 1
22 . . . . . . . . . . . . . . . . 12.2 . . . . . 36 . N . 36 . HN parsed_2moz 1
23 . . . . . . . . . . . . . . . . 10.822 . . . . . 37 . N . 37 . HN parsed_2moz 1
24 . . . . . . . . . . . . . . . . 18.246 . . . . . 38 . N . 38 . HN parsed_2moz 1
25 . . . . . . . . . . . . . . . . 19.012 . . . . . 39 . N . 39 . HN parsed_2moz 1
26 . . . . . . . . . . . . . . . . 18.268 . . . . . 40 . N . 40 . HN parsed_2moz 1
27 . . . . . . . . . . . . . . . . 16.314 . . . . . 47 . N . 47 . HN parsed_2moz 1
28 . . . . . . . . . . . . . . . . 14.906 . . . . . 48 . N . 48 . HN parsed_2moz 1
29 . . . . . . . . . . . . . . . . 12.886 . . . . . 50 . N . 50 . HN parsed_2moz 1
30 . . . . . . . . . . . . . . . . 17.244 . . . . . 51 . N . 51 . HN parsed_2moz 1
31 . . . . . . . . . . . . . . . . 12.29 . . . . . 52 . N . 52 . HN parsed_2moz 1
32 . . . . . . . . . . . . . . . . 13.67 . . . . . 53 . N . 53 . HN parsed_2moz 1
33 . . . . . . . . . . . . . . . . 17.94 . . . . . 54 . N . 54 . HN parsed_2moz 1
34 . . . . . . . . . . . . . . . . 14.692 . . . . . 55 . N . 55 . HN parsed_2moz 1
35 . . . . . . . . . . . . . . . . 10.278 . . . . . 56 . N . 56 . HN parsed_2moz 1
36 . . . . . . . . . . . . . . . . 15.236 . . . . . 57 . N . 57 . HN parsed_2moz 1
37 . . . . . . . . . . . . . . . . 16.95 . . . . . 58 . N . 58 . HN parsed_2moz 1
38 . . . . . . . . . . . . . . . . 15.33 . . . . . 59 . N . 59 . HN parsed_2moz 1
39 . . . . . . . . . . . . . . . . 15.294 . . . . . 60 . N . 60 . HN parsed_2moz 1
40 . . . . . . . . . . . . . . . . 12.2 . . . . . 61 . N . 61 . HN parsed_2moz 1
41 . . . . . . . . . . . . . . . . 15.97 . . . . . 62 . N . 62 . HN parsed_2moz 1
42 . . . . . . . . . . . . . . . . 13.768 . . . . . 63 . N . 63 . HN parsed_2moz 1
43 . . . . . . . . . . . . . . . . 12.494 . . . . . 64 . N . 64 . HN parsed_2moz 1
44 . . . . . . . . . . . . . . . . 14.256 . . . . . 65 . N . 65 . HN parsed_2moz 1
45 . . . . . . . . . . . . . . . . 14.600 . . . . . 67 . N . 67 . HN parsed_2moz 1
46 . . . . . . . . . . . . . . . . 3.874 . . . . . 6 . N . 6 . HN parsed_2moz 1
47 . . . . . . . . . . . . . . . . 9.066 . . . . . 9 . N . 9 . HN parsed_2moz 1
48 . . . . . . . . . . . . . . . . 7.134 . . . . . 10 . N . 10 . HN parsed_2moz 1
49 . . . . . . . . . . . . . . . . 6.34 . . . . . 16 . N . 16 . HN parsed_2moz 1
50 . . . . . . . . . . . . . . . . 8.710 . . . . . 17 . N . 17 . HN parsed_2moz 1
51 . . . . . . . . . . . . . . . . 7.254 . . . . . 23 . N . 23 . HN parsed_2moz 1
52 . . . . . . . . . . . . . . . . 1.648 . . . . . 42 . N . 42 . HN parsed_2moz 1
53 . . . . . . . . . . . . . . . . 1.23 . . . . . 43 . N . 43 . HN parsed_2moz 1
54 . . . . . . . . . . . . . . . . 3.456 . . . . . 44 . N . 44 . HN parsed_2moz 1
55 . . . . . . . . . . . . . . . . 1.574 . . . . . 45 . N . 45 . HN parsed_2moz 1
56 . . . . . . . . . . . . . . . . 1.176 . . . . . 46 . N . 46 . HN parsed_2moz 1
57 . . . . . . . . . . . . . . . . 8.038 . . . . . 66 . N . 66 . HN parsed_2moz 1
58 . . . . . . . . . . . . . . . . 7.06 . . . . . 68 . N . 68 . HN parsed_2moz 1
59 . . . . . . . . . . . . . . . . 4.196 . . . . . 69 . N . 69 . HN parsed_2moz 1
60 . . . . . . . . . . . . . . . . 12.510 . . . . . 5 . N . 5 . HN parsed_2moz 1
61 . . . . . . . . . . . . . . . . 18.645 . . . . . 6 . N . 6 . HN parsed_2moz 1
62 . . . . . . . . . . . . . . . . 13.165 . . . . . 7 . N . 7 . HN parsed_2moz 1
63 . . . . . . . . . . . . . . . . 15.120 . . . . . 8 . N . 8 . HN parsed_2moz 1
64 . . . . . . . . . . . . . . . . 13.365 . . . . . 11 . N . 11 . HN parsed_2moz 1
65 . . . . . . . . . . . . . . . . 18.360 . . . . . 12 . N . 12 . HN parsed_2moz 1
66 . . . . . . . . . . . . . . . . 14.670 . . . . . 13 . N . 13 . HN parsed_2moz 1
67 . . . . . . . . . . . . . . . . 10.530 . . . . . 14 . N . 14 . HN parsed_2moz 1
68 . . . . . . . . . . . . . . . . 19.550 . . . . . 15 . N . 15 . HN parsed_2moz 1
69 . . . . . . . . . . . . . . . . 10.620 . . . . . 18 . N . 18 . HN parsed_2moz 1
70 . . . . . . . . . . . . . . . . 17.065 . . . . . 19 . N . 19 . HN parsed_2moz 1
71 . . . . . . . . . . . . . . . . 12.210 . . . . . 20 . N . 20 . HN parsed_2moz 1
72 . . . . . . . . . . . . . . . . 10.550 . . . . . 21 . N . 21 . HN parsed_2moz 1
73 . . . . . . . . . . . . . . . . 18.075 . . . . . 22 . N . 22 . HN parsed_2moz 1
74 . . . . . . . . . . . . . . . . 12.380 . . . . . 23 . N . 23 . HN parsed_2moz 1
75 . . . . . . . . . . . . . . . . 12.870 . . . . . 24 . N . 24 . HN parsed_2moz 1
76 . . . . . . . . . . . . . . . . 10.440 . . . . . 26 . N . 26 . HN parsed_2moz 1
77 . . . . . . . . . . . . . . . . 15.405 . . . . . 27 . N . 27 . HN parsed_2moz 1
78 . . . . . . . . . . . . . . . . 14.325 . . . . . 28 . N . 28 . HN parsed_2moz 1
79 . . . . . . . . . . . . . . . . 12.800 . . . . . 29 . N . 29 . HN parsed_2moz 1
80 . . . . . . . . . . . . . . . . 13.785 . . . . . 30 . N . 30 . HN parsed_2moz 1
81 . . . . . . . . . . . . . . . . 17.570 . . . . . 31 . N . 31 . HN parsed_2moz 1
82 . . . . . . . . . . . . . . . . 16.565 . . . . . 32 . N . 32 . HN parsed_2moz 1
83 . . . . . . . . . . . . . . . . 12.270 . . . . . 33 . N . 33 . HN parsed_2moz 1
84 . . . . . . . . . . . . . . . . 15.380 . . . . . 34 . N . 34 . HN parsed_2moz 1
85 . . . . . . . . . . . . . . . . 19.340 . . . . . 35 . N . 35 . HN parsed_2moz 1
86 . . . . . . . . . . . . . . . . 15.165 . . . . . 36 . N . 36 . HN parsed_2moz 1
87 . . . . . . . . . . . . . . . . 11.910 . . . . . 37 . N . 37 . HN parsed_2moz 1
88 . . . . . . . . . . . . . . . . 18.690 . . . . . 38 . N . 38 . HN parsed_2moz 1
89 . . . . . . . . . . . . . . . . 18.660 . . . . . 39 . N . 39 . HN parsed_2moz 1
90 . . . . . . . . . . . . . . . . 18.830 . . . . . 40 . N . 40 . HN parsed_2moz 1
91 . . . . . . . . . . . . . . . . 15.905 . . . . . 47 . N . 47 . HN parsed_2moz 1
92 . . . . . . . . . . . . . . . . 15.585 . . . . . 48 . N . 48 . HN parsed_2moz 1
93 . . . . . . . . . . . . . . . . 17.595 . . . . . 50 . N . 50 . HN parsed_2moz 1
94 . . . . . . . . . . . . . . . . 18.660 . . . . . 51 . N . 51 . HN parsed_2moz 1
95 . . . . . . . . . . . . . . . . 12.795 . . . . . 52 . N . 52 . HN parsed_2moz 1
96 . . . . . . . . . . . . . . . . 13.190 . . . . . 53 . N . 53 . HN parsed_2moz 1
97 . . . . . . . . . . . . . . . . 17.340 . . . . . 54 . N . 54 . HN parsed_2moz 1
98 . . . . . . . . . . . . . . . . 15.980 . . . . . 55 . N . 55 . HN parsed_2moz 1
99 . . . . . . . . . . . . . . . . 12.575 . . . . . 56 . N . 56 . HN parsed_2moz 1
100 . . . . . . . . . . . . . . . . 15.720 . . . . . 57 . N . 57 . HN parsed_2moz 1
101 . . . . . . . . . . . . . . . . 19.520 . . . . . 58 . N . 58 . HN parsed_2moz 1
102 . . . . . . . . . . . . . . . . 13.795 . . . . . 59 . N . 59 . HN parsed_2moz 1
103 . . . . . . . . . . . . . . . . 13.875 . . . . . 60 . N . 60 . HN parsed_2moz 1
104 . . . . . . . . . . . . . . . . 17.595 . . . . . 61 . N . 61 . HN parsed_2moz 1
105 . . . . . . . . . . . . . . . . 17.310 . . . . . 62 . N . 62 . HN parsed_2moz 1
106 . . . . . . . . . . . . . . . . 12.795 . . . . . 63 . N . 63 . HN parsed_2moz 1
107 . . . . . . . . . . . . . . . . 12.875 . . . . . 64 . N . 64 . HN parsed_2moz 1
108 . . . . . . . . . . . . . . . . 13.795 . . . . . 65 . N . 65 . HN parsed_2moz 1
109 . . . . . . . . . . . . . . . . 16.235 . . . . . 67 . N . 67 . HN parsed_2moz 1
110 . . . . . . . . . . . . . . . . 8.250 . . . . . 9 . N . 9 . HN parsed_2moz 1
111 . . . . . . . . . . . . . . . . 9.165 . . . . . 10 . N . 10 . HN parsed_2moz 1
112 . . . . . . . . . . . . . . . . 7.740 . . . . . 16 . N . 16 . HN parsed_2moz 1
113 . . . . . . . . . . . . . . . . 7.875 . . . . . 17 . N . 17 . HN parsed_2moz 1
114 . . . . . . . . . . . . . . . . 3.845 . . . . . 41 . N . 41 . HN parsed_2moz 1
115 . . . . . . . . . . . . . . . . 1.360 . . . . . 42 . N . 42 . HN parsed_2moz 1
116 . . . . . . . . . . . . . . . . 0.800 . . . . . 43 . N . 43 . HN parsed_2moz 1
117 . . . . . . . . . . . . . . . . 5.330 . . . . . 44 . N . 44 . HN parsed_2moz 1
118 . . . . . . . . . . . . . . . . 3.845 . . . . . 45 . N . 45 . HN parsed_2moz 1
119 . . . . . . . . . . . . . . . . 1.925 . . . . . 46 . N . 46 . HN parsed_2moz 1
120 . . . . . . . . . . . . . . . . 8.250 . . . . . 66 . N . 66 . HN parsed_2moz 1
121 . . . . . . . . . . . . . . . . 5.025 . . . . . 68 . N . 68 . HN parsed_2moz 1
122 . . . . . . . . . . . . . . . . 4.310 . . . . . 69 . N . 69 . HN parsed_2moz 1
123 . . . . . . . . . . . . . . . . 1.750 . . . . . 70 . N . 70 . HN parsed_2moz 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
;
! NH Dipolar coupling (kHz) Measured from MAS experiments.
! K5
;
1 1 2 10 parsed_2moz 1
2 "! L7" 9 1 9 10 parsed_2moz 1
3 "! L8" 16 1 16 10 parsed_2moz 1
4 "! S11" 23 1 23 11 parsed_2moz 1
5 "! I12" 30 1 30 11 parsed_2moz 1
6 "! I13" 37 1 37 11 parsed_2moz 1
7 "! T15" 44 1 44 11 parsed_2moz 1
8 "! V18" 51 1 51 11 parsed_2moz 1
9 "! A19" 58 1 58 11 parsed_2moz 1
10 "! L20" 65 1 65 11 parsed_2moz 1
11 "! S21" 72 1 72 11 parsed_2moz 1
12 "! S22" 79 1 79 11 parsed_2moz 1
13 "! T24" 86 1 86 11 parsed_2moz 1
14 "! V26" 93 1 93 11 parsed_2moz 1
15 "! L27" 100 1 100 11 parsed_2moz 1
16 "! V28" 107 1 107 11 parsed_2moz 1
17 "! I29" 114 1 114 11 parsed_2moz 1
18 "! L30" 121 1 121 11 parsed_2moz 1
19 "! L31" 128 1 128 11 parsed_2moz 1
20 "! V33" 135 1 135 11 parsed_2moz 1
21 "! V34" 142 1 142 11 parsed_2moz 1
22 "! L36" 149 1 149 11 parsed_2moz 1
23 "! S37" 156 1 156 11 parsed_2moz 1
24 "! A38" 163 1 163 11 parsed_2moz 1
25 "! L39" 170 1 170 11 parsed_2moz 1
26 "! T40" 177 1 177 11 parsed_2moz 1
27 "! L47" 184 1 184 11 parsed_2moz 1
28 "! L48" 191 1 191 11 parsed_2moz 1
29 "! A50" 198 1 198 11 parsed_2moz 1
30 "! L51" 205 1 205 11 parsed_2moz 1
31 "! A52" 212 1 212 11 parsed_2moz 1
32 "! I53" 219 1 219 11 parsed_2moz 1
33 "! F54" 226 1 226 11 parsed_2moz 1
34 "! I55" 233 1 233 11 parsed_2moz 1
35 "! G56" 240 1 240 11 parsed_2moz 1
36 "! L57" 247 1 247 11 parsed_2moz 1
37 "! T58" 254 1 254 11 parsed_2moz 1
38 "! I59" 261 1 261 11 parsed_2moz 1
39 "! Y60" 268 1 268 11 parsed_2moz 1
40 "! A61" 275 1 275 11 parsed_2moz 1
41 "! I62" 282 1 282 11 parsed_2moz 1
42 "! Q63" 289 1 289 11 parsed_2moz 1
43 "! R64" 296 1 296 11 parsed_2moz 1
44 "! K65" 303 1 303 11 parsed_2moz 1
45 "! Q67" 310 1 310 11 parsed_2moz 1
46
;
! NH Dipolar coupling (kHz) Measured from MAS experiments.
! Implement as absolute values (useSign=FALSE)
! T6
;
317 1 320 10 parsed_2moz 1
47 "! R9" 327 1 327 10 parsed_2moz 1
48 "! V10" 334 1 334 11 parsed_2moz 1
49 "! T16" 341 1 341 11 parsed_2moz 1
50 "! L17" 348 1 348 11 parsed_2moz 1
51 "! F23" 355 1 355 11 parsed_2moz 1
52 "! Y42" 362 1 362 11 parsed_2moz 1
53 "! L43" 369 1 369 11 parsed_2moz 1
54 "! D44" 376 1 376 11 parsed_2moz 1
55 "! Y45" 383 1 383 11 parsed_2moz 1
56 "! V46" 390 1 390 11 parsed_2moz 1
57 "! R66" 397 1 397 11 parsed_2moz 1
58 "! A68" 404 1 404 11 parsed_2moz 1
59 "! D69" 411 1 411 11 parsed_2moz 1
60
;
! NH Dipolar coupling (kHz) Measured from static aligned sample experiments.
! K5
;
418 1 419 10 parsed_2moz 1
61 "! T6" 426 1 426 10 parsed_2moz 1
62 "! L7" 433 1 433 10 parsed_2moz 1
63 "! L8" 440 1 440 10 parsed_2moz 1
64 "! S11" 447 1 447 11 parsed_2moz 1
65 "! I12" 454 1 454 11 parsed_2moz 1
66 "! I13" 461 1 461 11 parsed_2moz 1
67 "! G14" 468 1 468 11 parsed_2moz 1
68 "! T15" 475 1 475 11 parsed_2moz 1
69 "! V18" 482 1 482 11 parsed_2moz 1
70 "! A19" 489 1 489 11 parsed_2moz 1
71 "! L20" 496 1 496 11 parsed_2moz 1
72 "! S21" 503 1 503 11 parsed_2moz 1
73 "! S22" 510 1 510 11 parsed_2moz 1
74 "! F23" 517 1 517 11 parsed_2moz 1
75 "! T24" 524 1 524 11 parsed_2moz 1
76 "! V26" 531 1 531 11 parsed_2moz 1
77 "! L27" 538 1 538 11 parsed_2moz 1
78 "! V28" 545 1 545 11 parsed_2moz 1
79 "! I29" 552 1 552 11 parsed_2moz 1
80 "! L30" 559 1 559 11 parsed_2moz 1
81 "! L31" 566 1 566 11 parsed_2moz 1
82 "! G32" 573 1 573 11 parsed_2moz 1
83 "! V33" 580 1 580 11 parsed_2moz 1
84 "! V34" 587 1 587 11 parsed_2moz 1
85 "! G35" 594 1 594 11 parsed_2moz 1
86 "! L36" 601 1 601 11 parsed_2moz 1
87 "! S37" 608 1 608 11 parsed_2moz 1
88 "! A38" 615 1 615 11 parsed_2moz 1
89 "! L39" 622 1 622 11 parsed_2moz 1
90 "! T40" 629 1 629 11 parsed_2moz 1
91 "! L47" 636 1 636 11 parsed_2moz 1
92 "! L48" 643 1 643 11 parsed_2moz 1
93 "! A50" 650 1 650 11 parsed_2moz 1
94 "! L51" 657 1 657 11 parsed_2moz 1
95 "! A52" 664 1 664 11 parsed_2moz 1
96 "! I53" 671 1 671 11 parsed_2moz 1
97 "! F54" 678 1 678 11 parsed_2moz 1
98 "! I55" 685 1 685 11 parsed_2moz 1
99 "! G56" 692 1 692 11 parsed_2moz 1
100 "! L57" 699 1 699 11 parsed_2moz 1
101 "! T58" 706 1 706 11 parsed_2moz 1
102 "! I59" 713 1 713 11 parsed_2moz 1
103 "! Y60" 720 1 720 11 parsed_2moz 1
104 "! A61" 727 1 727 11 parsed_2moz 1
105 "! I62" 734 1 734 11 parsed_2moz 1
106 "! Q63" 741 1 741 11 parsed_2moz 1
107 "! R64" 748 1 748 11 parsed_2moz 1
108 "! K65" 755 1 755 11 parsed_2moz 1
109 "! Q67" 762 1 762 11 parsed_2moz 1
110
;
! NH Dipolar coupling (kHz) Measured from aligned sample experiments.
! Implement as absolute values (useSign=FALSE)
! R9
;
769 1 771 10 parsed_2moz 1
111 "! V10" 778 1 778 11 parsed_2moz 1
112 "! T16" 785 1 785 11 parsed_2moz 1
113 "! L17" 792 1 792 11 parsed_2moz 1
114
;
! F23 move to other list
! G41
;
799 1 800 11 parsed_2moz 1
115 "! Y42" 807 1 807 11 parsed_2moz 1
116 "! L43" 814 1 814 11 parsed_2moz 1
117 "! D44" 821 1 821 11 parsed_2moz 1
118 "! Y45" 828 1 828 11 parsed_2moz 1
119 "! V46" 835 1 835 11 parsed_2moz 1
120 "! R66" 842 1 842 11 parsed_2moz 1
121 "! A68" 849 1 849 11 parsed_2moz 1
122 "! D69" 856 1 856 11 parsed_2moz 1
123 "! A70" 863 1 863 11 parsed_2moz 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
;
assign (resid 600 and name OO )
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;
873 1 879 38 parsed_2moz 1
2
;
assign (resid 600 and name OO )
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(resid 6 and name HN ) 65.81 5
;
881 1 887 38 parsed_2moz 1
3
;
assign (resid 600 and name OO )
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;
889 1 895 39 parsed_2moz 1
4
;
assign (resid 600 and name OO )
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(resid 8 and name HN ) 88.59 5
;
897 1 903 39 parsed_2moz 1
5
;
assign (resid 600 and name OO )
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(resid 9 and name HN ) 31.21 5
;
905 1 911 39 parsed_2moz 1
6
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 10 and name HN ) 63.47 5
;
913 1 919 40 parsed_2moz 1
7
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 11 and name HN ) 95.54 5
;
921 1 927 40 parsed_2moz 1
8
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 12 and name HN ) 64.27 5
;
929 1 935 39 parsed_2moz 1
9
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 13 and name HN ) 34.74 5
;
937 1 943 39 parsed_2moz 1
10
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 14 and name C )
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(resid 15 and name HN ) 65.46 5
;
945 1 951 39 parsed_2moz 1
11
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
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(resid 16 and name HN ) 41.14 5
;
953 1 959 39 parsed_2moz 1
12
;
assign (resid 600 and name OO )
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(resid 17 and name HN ) 72.07 5
;
961 1 967 40 parsed_2moz 1
13
;
assign (resid 600 and name OO )
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(resid 18 and name HN ) 86.25 5
;
969 1 975 40 parsed_2moz 1
14
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 19 and name HN ) 78.47 5
;
977 1 983 40 parsed_2moz 1
15
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
(resid 19 and name C )
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(resid 20 and name HN ) 45.81 5
;
985 1 991 40 parsed_2moz 1
16
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
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(resid 21 and name HN ) 76.79 5
;
993 1 999 40 parsed_2moz 1
17
;
assign (resid 600 and name OO )
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(resid 22 and name HN ) 83.81 5
;
1001 1 1007 40 parsed_2moz 1
18
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 23 and name HN ) 44.81 5
;
1009 1 1015 40 parsed_2moz 1
19
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 23 and name C )
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(resid 24 and name HN ) 101.47 5
;
1017 1 1023 41 parsed_2moz 1
20
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 25 and name C )
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(resid 26 and name HN ) 76.80 5
;
1025 1 1031 40 parsed_2moz 1
21
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 26 and name C )
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(resid 27 and name HN ) 87.94 5
;
1033 1 1039 41 parsed_2moz 1
22
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 28 and name HN ) 69.64 5
;
1041 1 1047 40 parsed_2moz 1
23
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 29 and name HN ) 67.74 5
;
1049 1 1055 41 parsed_2moz 1
24
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
(resid 29 and name C )
(resid 30 and name N )
(resid 30 and name HN ) 91.82 5
;
1057 1 1063 40 parsed_2moz 1
25
;
assign (resid 600 and name OO )
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(resid 30 and name C )
(resid 31 and name N )
(resid 31 and name HN ) 79.72 5
;
1065 1 1071 41 parsed_2moz 1
26
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 33 and name HN ) 67.24 5
;
1073 1 1079 40 parsed_2moz 1
27
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 33 and name C )
(resid 34 and name N )
(resid 34 and name HN ) 82.37 5
;
1081 1 1087 40 parsed_2moz 1
28
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 35 and name C )
(resid 36 and name N )
(resid 36 and name HN ) 57.68 5
;
1089 1 1095 40 parsed_2moz 1
29
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 36 and name C )
(resid 37 and name N )
(resid 37 and name HN ) 67.09 5
;
1097 1 1103 40 parsed_2moz 1
30
;
assign (resid 600 and name OO )
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(resid 38 and name HN ) 91.16 5
;
1105 1 1111 40 parsed_2moz 1
31
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 39 and name HN ) 61.80 5
;
1113 1 1119 40 parsed_2moz 1
32
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
(resid 39 and name C )
(resid 40 and name N )
(resid 40 and name HN ) 65.92 5
;
1121 1 1127 40 parsed_2moz 1
33
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 42 and name N )
(resid 42 and name HN ) -26.59 5
;
1129 1 1135 40 parsed_2moz 1
34
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 43 and name HN ) -5.57 5
;
1137 1 1143 41 parsed_2moz 1
35
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
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(resid 43 and name C )
(resid 44 and name N )
(resid 44 and name HN ) -20.92 5
;
1145 1 1151 41 parsed_2moz 1
36
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
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(resid 45 and name N )
(resid 45 and name HN ) 7.21 5
;
1153 1 1159 40 parsed_2moz 1
37
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
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(resid 46 and name N )
(resid 46 and name HN ) 23.98 5
;
1161 1 1167 40 parsed_2moz 1
38
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
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(resid 47 and name N )
(resid 47 and name HN ) 59.92 5
;
1169 1 1175 41 parsed_2moz 1
39
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 47 and name C )
(resid 48 and name N )
(resid 48 and name HN ) 43.59 5
;
1177 1 1183 42 parsed_2moz 1
40
;
assign (resid 600 and name OO )
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(resid 50 and name HN ) 97.66 5
;
1185 1 1191 40 parsed_2moz 1
41
;
assign (resid 600 and name OO )
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(resid 51 and name HN ) 61.80 5
;
1193 1 1199 40 parsed_2moz 1
42
;
assign (resid 600 and name OO )
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(resid 52 and name N )
(resid 52 and name HN ) 59.12 5
;
1201 1 1207 40 parsed_2moz 1
43
;
assign (resid 600 and name OO )
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(resid 52 and name C )
(resid 53 and name N )
(resid 53 and name HN ) 95.54 5
;
1209 1 1215 40 parsed_2moz 1
44
;
assign (resid 600 and name OO )
(resid 600 and name Z )
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(resid 600 and name Y )
(resid 53 and name C )
(resid 54 and name N )
(resid 54 and name HN ) 80.06 5
;
1217 1 1223 40 parsed_2moz 1
45
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
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(resid 55 and name HN ) 49.41 5
;
1225 1 1231 40 parsed_2moz 1
46
;
assign (resid 600 and name OO )
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(resid 57 and name HN ) 97.91 5
;
1233 1 1239 41 parsed_2moz 1
47
;
assign (resid 600 and name OO )
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(resid 58 and name HN ) 71.28 5
;
1241 1 1247 40 parsed_2moz 1
48
;
assign (resid 600 and name OO )
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(resid 59 and name HN ) 58.45 5
;
1249 1 1255 40 parsed_2moz 1
49
;
assign (resid 600 and name OO )
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(resid 600 and name Y )
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(resid 60 and name HN ) 91.03 5
;
1257 1 1263 40 parsed_2moz 1
50
;
assign (resid 600 and name OO )
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(resid 600 and name Y )
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(resid 61 and name HN ) 97.66 5
;
1265 1 1271 40 parsed_2moz 1
51
;
assign (resid 600 and name OO )
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(resid 62 and name HN ) 62.90 5
;
1273 1 1279 41 parsed_2moz 1
52
;
assign (resid 600 and name OO )
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(resid 63 and name HN ) 59.12 5
;
1281 1 1287 40 parsed_2moz 1
53
;
assign (resid 600 and name OO )
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(resid 600 and name Y )
(resid 63 and name C )
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(resid 64 and name HN ) 83.98 5
;
1289 1 1295 40 parsed_2moz 1
54
;
assign (resid 600 and name OO )
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(resid 65 and name HN ) 58.45 5
;
1297 1 1303 40 parsed_2moz 1
55
;
assign (resid 600 and name OO )
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(resid 66 and name HN ) 31.21 5
;
1305 1 1311 40 parsed_2moz 1
56
;
assign (resid 600 and name OO )
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(resid 67 and name HN ) 71.69 5
;
1313 1 1319 40 parsed_2moz 1
57
;
assign (resid 600 and name OO )
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;
1321 1 1327 40 parsed_2moz 1
58
;
assign (resid 600 and name OO )
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(resid 69 and name HN ) 32.85 5
;
1329 1 1335 41 parsed_2moz 1
59
;
assign (resid 600 and name OO )
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(resid 70 and name HN ) -7.71 5
;
1337 1 1343 40 parsed_2moz 1
60
;
assign (resid 600 and name OO )
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(resid 14 and name HN ) 66.81 5
;
1346 1 1352 40 parsed_2moz 1
61
;
assign (resid 600 and name OO )
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(resid 31 and name C )
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(resid 32 and name HN ) 49.94 5
;
1354 1 1360 40 parsed_2moz 1
62
;
assign (resid 600 and name OO )
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(resid 35 and name HN ) 43.75 5
;
1362 1 1368 40 parsed_2moz 1
63
;
assign (resid 600 and name OO )
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(resid 600 and name Y )
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(resid 41 and name HN ) -30.37 5
;
1370 1 1376 39 parsed_2moz 1
64
;
assign (resid 600 and name OO )
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(resid 55 and name C )
(resid 56 and name N )
(resid 56 and name HN ) 70.30 5
;
1378 1 1384 41 parsed_2moz 1
stop_
save_
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