NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
602044 |
2n3x   |
25659 | cing | 2-parsed | STAR | distance | NOE | ambi | 60 |
data_2n3x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n3x
_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_2n3x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n3x
_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 2n3x "Master copy" parsed_2n3x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n3x
_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 2n3x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n3x 1
1 2n3x.mr . . XPLOR/CNS 2 distance NOE ambi 60 parsed_2n3x 1
1 2n3x.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n3x 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n3x
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2n3x 1
2 1 . . . parsed_2n3x 1
3 1 . . . parsed_2n3x 1
4 1 . . . parsed_2n3x 1
5 1 . . . parsed_2n3x 1
6 1 . . . parsed_2n3x 1
7 1 . . . parsed_2n3x 1
8 1 . . . parsed_2n3x 1
9 1 . . . parsed_2n3x 1
10 1 2 . OR parsed_2n3x 1
10 2 . 3 . parsed_2n3x 1
10 3 . 4 . parsed_2n3x 1
10 4 . . . parsed_2n3x 1
11 1 . . . parsed_2n3x 1
12 1 . . . parsed_2n3x 1
13 1 . . . parsed_2n3x 1
14 1 . . . parsed_2n3x 1
15 1 . . . parsed_2n3x 1
16 1 . . . parsed_2n3x 1
17 1 . . . parsed_2n3x 1
18 1 . . . parsed_2n3x 1
19 1 . . . parsed_2n3x 1
20 1 . . . parsed_2n3x 1
21 1 . . . parsed_2n3x 1
22 1 . . . parsed_2n3x 1
23 1 . . . parsed_2n3x 1
24 1 . . . parsed_2n3x 1
25 1 . . . parsed_2n3x 1
26 1 . . . parsed_2n3x 1
27 1 . . . parsed_2n3x 1
28 1 . . . parsed_2n3x 1
29 1 . . . parsed_2n3x 1
30 1 . . . parsed_2n3x 1
31 1 . . . parsed_2n3x 1
32 1 . . . parsed_2n3x 1
33 1 . . . parsed_2n3x 1
34 1 . . . parsed_2n3x 1
35 1 . . . parsed_2n3x 1
36 1 . . . parsed_2n3x 1
37 1 . . . parsed_2n3x 1
38 1 . . . parsed_2n3x 1
39 1 . . . parsed_2n3x 1
40 1 . . . parsed_2n3x 1
41 1 . . . parsed_2n3x 1
42 1 . . . parsed_2n3x 1
43 1 . . . parsed_2n3x 1
44 1 . . . parsed_2n3x 1
45 1 . . . parsed_2n3x 1
46 1 . . . parsed_2n3x 1
47 1 . . . parsed_2n3x 1
48 1 . . . parsed_2n3x 1
49 1 . . . parsed_2n3x 1
50 1 . . . parsed_2n3x 1
51 1 . . . parsed_2n3x 1
52 1 . . . parsed_2n3x 1
53 1 . . . parsed_2n3x 1
54 1 . . . parsed_2n3x 1
55 1 . . . parsed_2n3x 1
56 1 . . . parsed_2n3x 1
57 1 . . . parsed_2n3x 1
58 1 . . . parsed_2n3x 1
59 1 . . . parsed_2n3x 1
60 1 . . . parsed_2n3x 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . " " 340 . HA parsed_2n3x 1
1 1 2 . . . . . . . . " " 341 . HN parsed_2n3x 1
2 1 1 . . . . . . . . " " 337 . HA parsed_2n3x 1
2 1 2 . . . . . . . . " " 336 . HN parsed_2n3x 1
3 1 1 . . . . . . . . " " 322 . HA parsed_2n3x 1
3 1 2 . . . . . . . . " " 323 . HN parsed_2n3x 1
4 1 1 . . . . . . . . " " 344 . HA parsed_2n3x 1
4 1 2 . . . . . . . . " " 341 . HN parsed_2n3x 1
5 1 1 . . . . . . . . " " 344 . HA parsed_2n3x 1
5 1 2 . . . . . . . . " " 344 . HB2 parsed_2n3x 1
6 1 1 . . . . . . . . " " 339 . HA parsed_2n3x 1
6 1 2 . . . . . . . . " " 339 . HB2 parsed_2n3x 1
7 1 1 . . . . . . . . " " 330 . HA parsed_2n3x 1
7 1 2 . . . . . . . . " " 330 . HD22 parsed_2n3x 1
8 1 1 . . . . . . . . " " 330 . HA parsed_2n3x 1
8 1 2 . . . . . . . . " " 330 . HB2 parsed_2n3x 1
9 1 1 . . . . . . . . " " 344 . HA parsed_2n3x 1
9 1 2 . . . . . . . . " " 340 . HB2 parsed_2n3x 1
10 2 1 . . . . . . . . " " 311 . HA parsed_2n3x 1
10 2 2 . . . . . . . . " " 311 . HT3 parsed_2n3x 1
10 3 1 . . . . . . . . " " 311 . HA parsed_2n3x 1
10 3 2 . . . . . . . . " " 311 . HT2 parsed_2n3x 1
10 4 1 . . . . . . . . " " 311 . HA parsed_2n3x 1
10 4 2 . . . . . . . . " " 311 . HT1 parsed_2n3x 1
11 1 1 . . . . . . . . " " 329 . HA parsed_2n3x 1
11 1 2 . . . . . . . . " " 328 . HB2 parsed_2n3x 1
12 1 1 . . . . . . . . " " 315 . HA parsed_2n3x 1
12 1 2 . . . . . . . . " " 315 . HB2 parsed_2n3x 1
13 1 1 . . . . . . . . " " 341 . HA parsed_2n3x 1
13 1 2 . . . . . . . . " " 341 . HB2 parsed_2n3x 1
14 1 1 . . . . . . . . " " 327 . HA parsed_2n3x 1
14 1 2 . . . . . . . . " " 327 . HB1 parsed_2n3x 1
15 1 1 . . . . . . . . " " 328 . HA parsed_2n3x 1
15 1 2 . . . . . . . . " " 328 . HB2 parsed_2n3x 1
16 1 1 . . . . . . . . " " 346 . HA parsed_2n3x 1
16 1 2 . . . . . . . . " " 344 . HB2 parsed_2n3x 1
17 1 1 . . . . . . . . " " 323 . HA parsed_2n3x 1
17 1 2 . . . . . . . . " " 323 . HN parsed_2n3x 1
18 1 1 . . . . . . . . " " 326 . HA parsed_2n3x 1
18 1 2 . . . . . . . . " " 329 . HB2 parsed_2n3x 1
19 1 1 . . . . . . . . " " 326 . HA parsed_2n3x 1
19 1 2 . . . . . . . . " " 327 . HN parsed_2n3x 1
20 1 1 . . . . . . . . " " 335 . HA1 parsed_2n3x 1
20 1 2 . . . . . . . . " " 336 . HN parsed_2n3x 1
21 1 1 . . . . . . . . " " 338 . HA1 parsed_2n3x 1
21 1 2 . . . . . . . . " " 327 . HB1 parsed_2n3x 1
22 1 1 . . . . . . . . " " 338 . HA1 parsed_2n3x 1
22 1 2 . . . . . . . . " " 342 . HA parsed_2n3x 1
23 1 1 . . . . . . . . " " 338 . HN parsed_2n3x 1
23 1 2 . . . . . . . . " " 338 . HA1 parsed_2n3x 1
24 1 1 . . . . . . . . " " 339 . HA parsed_2n3x 1
24 1 2 . . . . . . . . " " 339 . HB1 parsed_2n3x 1
25 1 1 . . . . . . . . " " 339 . HA parsed_2n3x 1
25 1 2 . . . . . . . . " " 336 . HB2 parsed_2n3x 1
26 1 1 . . . . . . . . " " 340 . HA parsed_2n3x 1
26 1 2 . . . . . . . . " " 336 . HG2 parsed_2n3x 1
27 1 1 . . . . . . . . " " 340 . HA parsed_2n3x 1
27 1 2 . . . . . . . . " " 339 . HB2 parsed_2n3x 1
28 1 1 . . . . . . . . " " 340 . HA parsed_2n3x 1
28 1 2 . . . . . . . . " " 340 . HB2 parsed_2n3x 1
29 1 1 . . . . . . . . " " 329 . HA parsed_2n3x 1
29 1 2 . . . . . . . . " " 327 . HB1 parsed_2n3x 1
30 1 1 . . . . . . . . " " 335 . HA1 parsed_2n3x 1
30 1 2 . . . . . . . . " " 331 . HA parsed_2n3x 1
31 1 1 . . . . . . . . " " 322 . HN parsed_2n3x 1
31 1 2 . . . . . . . . " " 322 . HB2 parsed_2n3x 1
32 1 1 . . . . . . . . " " 322 . HN parsed_2n3x 1
32 1 2 . . . . . . . . " " 323 . HN parsed_2n3x 1
33 1 1 . . . . . . . . " " 323 . HN parsed_2n3x 1
33 1 2 . . . . . . . . " " 324 . HN parsed_2n3x 1
34 1 1 . . . . . . . . " " 324 . HN parsed_2n3x 1
34 1 2 . . . . . . . . " " 321 . HA parsed_2n3x 1
35 1 1 . . . . . . . . " " 324 . HN parsed_2n3x 1
35 1 2 . . . . . . . . " " 326 . HB2 parsed_2n3x 1
36 1 1 . . . . . . . . " " 326 . HN parsed_2n3x 1
36 1 2 . . . . . . . . " " 330 . HB1 parsed_2n3x 1
37 1 1 . . . . . . . . " " 327 . HN parsed_2n3x 1
37 1 2 . . . . . . . . " " 331 . HA parsed_2n3x 1
38 1 1 . . . . . . . . " " 327 . HN parsed_2n3x 1
38 1 2 . . . . . . . . " " 326 . HB2 parsed_2n3x 1
39 1 1 . . . . . . . . " " 329 . HN parsed_2n3x 1
39 1 2 . . . . . . . . " " 330 . HA parsed_2n3x 1
40 1 1 . . . . . . . . " " 329 . HN parsed_2n3x 1
40 1 2 . . . . . . . . " " 331 . HA parsed_2n3x 1
41 1 1 . . . . . . . . " " 329 . HN parsed_2n3x 1
41 1 2 . . . . . . . . " " 330 . HB1 parsed_2n3x 1
42 1 1 . . . . . . . . " " 330 . HN parsed_2n3x 1
42 1 2 . . . . . . . . " " 331 . HA parsed_2n3x 1
43 1 1 . . . . . . . . " " 330 . HN parsed_2n3x 1
43 1 2 . . . . . . . . " " 330 . HB2 parsed_2n3x 1
44 1 1 . . . . . . . . " " 330 . HN parsed_2n3x 1
44 1 2 . . . . . . . . " " 330 . HB1 parsed_2n3x 1
45 1 1 . . . . . . . . " " 331 . HN parsed_2n3x 1
45 1 2 . . . . . . . . " " 330 . HN parsed_2n3x 1
46 1 1 . . . . . . . . " " 331 . HN parsed_2n3x 1
46 1 2 . . . . . . . . " " 328 . HA parsed_2n3x 1
47 1 1 . . . . . . . . " " 331 . HN parsed_2n3x 1
47 1 2 . . . . . . . . " " 330 . HB1 parsed_2n3x 1
48 1 1 . . . . . . . . " " 337 . HN parsed_2n3x 1
48 1 2 . . . . . . . . " " 339 . HB2 parsed_2n3x 1
49 1 1 . . . . . . . . " " 334 . HN parsed_2n3x 1
49 1 2 . . . . . . . . " " 335 . HN parsed_2n3x 1
50 1 1 . . . . . . . . " " 337 . HN parsed_2n3x 1
50 1 2 . . . . . . . . " " 340 . HB1 parsed_2n3x 1
51 1 1 . . . . . . . . " " 339 . HN parsed_2n3x 1
51 1 2 . . . . . . . . " " 337 . HN parsed_2n3x 1
52 1 1 . . . . . . . . " " 343 . HN parsed_2n3x 1
52 1 2 . . . . . . . . " " 341 . HA parsed_2n3x 1
53 1 1 . . . . . . . . " " 343 . HN parsed_2n3x 1
53 1 2 . . . . . . . . " " 340 . HB1 parsed_2n3x 1
54 1 1 . . . . . . . . " " 345 . HN parsed_2n3x 1
54 1 2 . . . . . . . . " " 346 . HN parsed_2n3x 1
55 1 1 . . . . . . . . " " 345 . HN parsed_2n3x 1
55 1 2 . . . . . . . . " " 345 . HB2 parsed_2n3x 1
56 1 1 . . . . . . . . " " 345 . HN parsed_2n3x 1
56 1 2 . . . . . . . . " " 345 . HB1 parsed_2n3x 1
57 1 1 . . . . . . . . " " 347 . HN parsed_2n3x 1
57 1 2 . . . . . . . . " " 346 . HN parsed_2n3x 1
58 1 1 . . . . . . . . " " 351 . HN parsed_2n3x 1
58 1 2 . . . . . . . . " " 351 . HA1 parsed_2n3x 1
59 1 1 . . . . . . . . " " 339 . HN parsed_2n3x 1
59 1 2 . . . . . . . . " " 341 . HA parsed_2n3x 1
60 1 1 . . . . . . . . " " 339 . HN parsed_2n3x 1
60 1 2 . . . . . . . . " " 339 . HB2 parsed_2n3x 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.201 1.920 4.482 parsed_2n3x 1
2 1 . . . . . 3.782 1.994 5.570 parsed_2n3x 1
3 1 . . . . . 4.364 1.983 6.745 parsed_2n3x 1
4 1 . . . . . 4.099 1.998 6.200 parsed_2n3x 1
5 1 . . . . . 2.958 1.864 4.052 parsed_2n3x 1
6 1 . . . . . 2.218 1.603 2.833 parsed_2n3x 1
7 1 . . . . . 3.061 1.889 4.233 parsed_2n3x 1
8 1 . . . . . 2.751 1.805 3.697 parsed_2n3x 1
9 1 . . . . . 12.428 0.000 31.734 parsed_2n3x 1
10 2 . . . . . 2.130 1.563 2.697 parsed_2n3x 1
10 3 . . . . . 2.130 1.563 2.697 parsed_2n3x 1
10 4 . . . . . 2.130 1.563 2.697 parsed_2n3x 1
11 1 . . . . . 2.410 1.684 3.136 parsed_2n3x 1
12 1 . . . . . 5.641 1.664 9.618 parsed_2n3x 1
13 1 . . . . . 2.707 1.791 3.623 parsed_2n3x 1
14 1 . . . . . 3.730 1.991 5.469 parsed_2n3x 1
15 1 . . . . . 2.301 1.639 2.963 parsed_2n3x 1
16 1 . . . . . 4.632 1.950 7.314 parsed_2n3x 1
17 1 . . . . . 2.819 1.826 3.812 parsed_2n3x 1
18 1 . . . . . 2.557 1.740 3.374 parsed_2n3x 1
19 1 . . . . . 3.061 1.889 4.233 parsed_2n3x 1
20 1 . . . . . 2.475 1.709 3.241 parsed_2n3x 1
21 1 . . . . . 4.099 1.998 6.200 parsed_2n3x 1
22 1 . . . . . 4.562 1.961 7.163 parsed_2n3x 1
23 1 . . . . . 5.182 1.826 8.538 parsed_2n3x 1
24 1 . . . . . 3.058 1.889 4.227 parsed_2n3x 1
25 1 . . . . . 4.517 1.967 7.067 parsed_2n3x 1
26 1 . . . . . 3.014 1.879 4.149 parsed_2n3x 1
27 1 . . . . . 2.727 1.797 3.657 parsed_2n3x 1
28 1 . . . . . 2.981 1.870 4.092 parsed_2n3x 1
29 1 . . . . . 4.183 1.996 6.370 parsed_2n3x 1
30 1 . . . . . 1.959 1.479 2.439 parsed_2n3x 1
31 1 . . . . . 5.699 1.640 9.758 parsed_2n3x 1
32 1 . . . . . 1.971 1.485 2.457 parsed_2n3x 1
33 1 . . . . . 6.270 1.355 11.185 parsed_2n3x 1
34 1 . . . . . 3.749 1.992 5.506 parsed_2n3x 1
35 1 . . . . . 4.223 1.994 6.452 parsed_2n3x 1
36 1 . . . . . 4.973 1.881 8.065 parsed_2n3x 1
37 1 . . . . . 4.390 1.980 6.800 parsed_2n3x 1
38 1 . . . . . 3.923 1.999 5.847 parsed_2n3x 1
39 1 . . . . . 5.178 1.826 8.530 parsed_2n3x 1
40 1 . . . . . 5.135 1.839 8.431 parsed_2n3x 1
41 1 . . . . . 4.960 1.884 8.036 parsed_2n3x 1
42 1 . . . . . 5.882 1.558 10.206 parsed_2n3x 1
43 1 . . . . . 5.542 1.703 9.381 parsed_2n3x 1
44 1 . . . . . 4.007 2.000 6.014 parsed_2n3x 1
45 1 . . . . . 5.554 1.699 9.409 parsed_2n3x 1
46 1 . . . . . 4.205 1.994 6.416 parsed_2n3x 1
47 1 . . . . . 4.130 1.998 6.262 parsed_2n3x 1
48 1 . . . . . 7.041 0.845 13.237 parsed_2n3x 1
49 1 . . . . . 3.731 1.991 5.471 parsed_2n3x 1
50 1 . . . . . 4.766 1.927 7.605 parsed_2n3x 1
51 1 . . . . . 4.696 1.939 7.453 parsed_2n3x 1
52 1 . . . . . 4.305 1.988 6.622 parsed_2n3x 1
53 1 . . . . . 4.188 1.995 6.381 parsed_2n3x 1
54 1 . . . . . 2.479 1.711 3.247 parsed_2n3x 1
55 1 . . . . . 2.276 1.628 2.924 parsed_2n3x 1
56 1 . . . . . 2.803 1.821 3.785 parsed_2n3x 1
57 1 . . . . . 2.623 1.763 3.483 parsed_2n3x 1
58 1 . . . . . 3.392 1.954 4.830 parsed_2n3x 1
59 1 . . . . . 4.382 1.982 6.782 parsed_2n3x 1
60 1 . . . . . 2.634 1.767 3.501 parsed_2n3x 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "spec=13CNOESY, no=3, id=35, vol=1.240000e+08" 1 127 1 173 parsed_2n3x 1
2 "spec=13CNOESY, no=5, id=37, vol=4.560000e+07" 2 127 2 173 parsed_2n3x 1
3 "spec=13CNOESY, no=6, id=38, vol=1.930000e+07" 3 127 3 173 parsed_2n3x 1
4 "spec=13CNOESY, no=7, id=39, vol=2.810000e+07" 4 127 4 173 parsed_2n3x 1
5 "spec=13CNOESY, no=8, id=40, vol=1.990000e+08" 5 127 5 173 parsed_2n3x 1
6 "spec=13CNOESY, no=9, id=41, vol=1.120000e+09" 6 127 6 173 parsed_2n3x 1
7 "spec=13CNOESY, no=10, id=42, vol=1.620000e+08" 7 127 7 174 parsed_2n3x 1
8 "spec=13CNOESY, no=11, id=43, vol=3.080000e+08" 8 127 8 174 parsed_2n3x 1
9 "spec=13CNOESY, no=13, id=45, vol=1.430000e+09" 10 127 10 174 parsed_2n3x 1
10 "spec=13CNOESY, no=12, id=44, vol=3.620000e+04" 9 130 9 177 parsed_2n3x 1
11 "spec=13CNOESY, no=20, id=48, vol=6.800000e+08" 13 127 13 174 parsed_2n3x 1
12 "spec=13CNOESY, no=21, id=49, vol=4.140000e+06" 14 127 14 174 parsed_2n3x 1
13 "spec=13CNOESY, no=23, id=50, vol=3.390000e+08" 15 127 15 174 parsed_2n3x 1
14 "spec=13CNOESY, no=25, id=51, vol=4.950000e+07" 16 127 16 174 parsed_2n3x 1
15 "spec=13CNOESY, no=29, id=53, vol=8.980000e+08" 17 127 17 174 parsed_2n3x 1
16 "spec=13CNOESY, no=32, id=56, vol=1.350000e+07" 18 127 18 174 parsed_2n3x 1
17 "spec=13CNOESY, no=33, id=57, vol=2.660000e+08" 19 127 19 174 parsed_2n3x 1
18 "spec=13CNOESY, no=34, id=58, vol=4.770000e+08" 20 127 20 174 parsed_2n3x 1
19 "spec=13CNOESY, no=35, id=59, vol=1.620000e+08" 21 127 21 174 parsed_2n3x 1
20 "spec=13CNOESY, no=39, id=62, vol=5.800000e+08" 22 127 22 174 parsed_2n3x 1
21 "spec=13CNOESY, no=41, id=63, vol=2.810000e+07" 23 127 23 174 parsed_2n3x 1
22 "spec=13CNOESY, no=42, id=64, vol=1.480000e+07" 24 127 24 174 parsed_2n3x 1
23 "spec=13CNOESY, no=43, id=65, vol=6.890000e+06" 25 127 25 174 parsed_2n3x 1
24 "spec=13CNOESY, no=44, id=66, vol=1.630000e+08" 26 127 26 174 parsed_2n3x 1
25 "spec=13CNOESY, no=45, id=67, vol=1.570000e+07" 27 127 27 174 parsed_2n3x 1
26 "spec=13CNOESY, no=46, id=68, vol=1.780000e+08" 28 127 28 174 parsed_2n3x 1
27 "spec=13CNOESY, no=47, id=69, vol=3.240000e+08" 29 127 29 174 parsed_2n3x 1
28 "spec=13CNOESY, no=48, id=70, vol=1.900000e+08" 30 127 30 174 parsed_2n3x 1
29 "spec=13CNOESY, no=50, id=71, vol=2.490000e+07" 31 127 31 174 parsed_2n3x 1
30 "spec=13CNOESY, no=51, id=72, vol=2.360000e+09" 32 127 32 174 parsed_2n3x 1
31 "spec=15NNOESY, no=4, id=1, vol=1.970000e+07" 33 127 33 172 parsed_2n3x 1
32 "spec=15NNOESY, no=5, id=2, vol=1.150000e+10" 34 127 34 172 parsed_2n3x 1
33 "spec=15NNOESY, no=6, id=3, vol=1.110000e+07" 35 127 35 172 parsed_2n3x 1
34 "spec=15NNOESY, no=8, id=4, vol=2.430000e+08" 36 127 36 172 parsed_2n3x 1
35 "spec=15NNOESY, no=9, id=5, vol=1.190000e+08" 37 127 37 172 parsed_2n3x 1
36 "spec=15NNOESY, no=11, id=6, vol=4.460000e+07" 38 127 38 173 parsed_2n3x 1
37 "spec=15NNOESY, no=14, id=7, vol=9.420000e+07" 39 127 39 173 parsed_2n3x 1
38 "spec=15NNOESY, no=15, id=8, vol=1.850000e+08" 40 127 40 173 parsed_2n3x 1
39 "spec=15NNOESY, no=16, id=9, vol=3.500000e+07" 41 127 41 173 parsed_2n3x 1
40 "spec=15NNOESY, no=17, id=10, vol=3.680000e+07" 42 127 42 174 parsed_2n3x 1
41 "spec=15NNOESY, no=18, id=11, vol=4.530000e+07" 43 127 43 174 parsed_2n3x 1
42 "spec=15NNOESY, no=19, id=12, vol=1.630000e+07" 44 127 44 174 parsed_2n3x 1
43 "spec=15NNOESY, no=20, id=13, vol=2.330000e+07" 45 127 45 174 parsed_2n3x 1
44 "spec=15NNOESY, no=21, id=14, vol=1.630000e+08" 46 127 46 174 parsed_2n3x 1
45 "spec=15NNOESY, no=22, id=15, vol=2.300000e+07" 47 127 47 174 parsed_2n3x 1
46 "spec=15NNOESY, no=23, id=16, vol=1.220000e+08" 48 127 48 174 parsed_2n3x 1
47 "spec=15NNOESY, no=24, id=17, vol=1.360000e+08" 49 127 49 174 parsed_2n3x 1
48 "spec=15NNOESY, no=25, id=18, vol=5.540000e+06" 50 127 50 174 parsed_2n3x 1
49 "spec=15NNOESY, no=27, id=19, vol=2.500000e+08" 51 127 51 174 parsed_2n3x 1
50 "spec=15NNOESY, no=28, id=20, vol=5.760000e+07" 52 127 52 174 parsed_2n3x 1
51 "spec=15NNOESY, no=30, id=22, vol=6.290000e+07" 53 127 53 174 parsed_2n3x 1
52 "spec=15NNOESY, no=32, id=24, vol=1.060000e+08" 54 127 54 174 parsed_2n3x 1
53 "spec=15NNOESY, no=33, id=25, vol=1.250000e+08" 55 127 55 174 parsed_2n3x 1
54 "spec=15NNOESY, no=35, id=27, vol=2.910000e+09" 56 127 56 174 parsed_2n3x 1
55 "spec=15NNOESY, no=36, id=28, vol=4.850000e+09" 57 127 57 174 parsed_2n3x 1
56 "spec=15NNOESY, no=37, id=29, vol=1.390000e+09" 58 127 58 174 parsed_2n3x 1
57 "spec=15NNOESY, no=38, id=30, vol=2.070000e+09" 59 127 59 174 parsed_2n3x 1
58 "spec=15NNOESY, no=41, id=31, vol=4.430000e+08" 60 127 60 174 parsed_2n3x 1
59 "spec=15NNOESY, no=44, id=32, vol=9.530000e+07" 61 127 61 174 parsed_2n3x 1
60 "spec=15NNOESY, no=45, id=33, vol=2.020000e+09" 62 127 62 174 parsed_2n3x 1
stop_
save_
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