NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
525531 |
2las   |
17536 | cing | 2-parsed | STAR | entry | full | 148 |
data_2las_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2las
_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_2las 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2las
_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 2las "Master copy" parsed_2las
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2las
_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 2las.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2las 1
1 2las.mr . . XPLOR/CNS 2 distance NOE simple 84 parsed_2las 1
1 2las.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_2las 1
1 2las.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2las 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2las
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TRANSCRIPTION 20-MAR-11 2LAS
*TITLE MOLECULAR DETERMINANTS OF PARALOGUE-SPECIFIC SUMO-SIM RECOGNITION
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SMALL UBIQUITIN-RELATED MODIFIER 1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 20-97;
*COMPND 5 SYNONYM: SUMO-1, GAP-MODIFYING PROTEIN 1, GMP1, SMT3 HOMOLOG 3,
*COMPND 6 SENTRIN, UBIQUITIN-HOMOLOGY DOMAIN PROTEIN PIC1, UBIQUITIN-LIKE
*COMPND 7 PROTEIN SMT3C, UBIQUITIN-LIKE PROTEIN UBL1;
*COMPND 8 ENGINEERED: YES;
*COMPND 9 MOL_ID: 2;
*COMPND 10 MOLECULE: M-IR2_PEPTIDE;
*COMPND 11 CHAIN: B;
*COMPND 12 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: SUMO1, SMT3C, SMT3H3, UBL1, OK/SW-CL.43;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET11;
*SOURCE 10 MOL_ID: 2;
*SOURCE 11 SYNTHETIC: YES;
*SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 13 ORGANISM_COMMON: HUMAN;
*SOURCE 14 ORGANISM_TAXID: 9606
*KEYWDS RANBP2, POST-TRANSLATIONAL MODIFICATION, TRANSCRIPTION
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR A.NAMANJA, Y.LI, Y.SU, S.WONG, J.LU, L.COLSON, C.WU, S.LI, Y.CHEN
*REVDAT 1 14-DEC-11 2LAS 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2las
_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_2las 1
2 1 . . . parsed_2las 1
3 1 . . . parsed_2las 1
4 1 . . . parsed_2las 1
5 1 . . . parsed_2las 1
6 1 . . . parsed_2las 1
7 1 . . . parsed_2las 1
8 1 . . . parsed_2las 1
9 1 . . . parsed_2las 1
10 1 . . . parsed_2las 1
11 1 . . . parsed_2las 1
12 1 . . . parsed_2las 1
13 1 . . . parsed_2las 1
14 1 . . . parsed_2las 1
15 1 . . . parsed_2las 1
16 1 . . . parsed_2las 1
17 1 . . . parsed_2las 1
18 1 . . . parsed_2las 1
19 1 . . . parsed_2las 1
20 1 . . . parsed_2las 1
21 1 . . . parsed_2las 1
22 1 . . . parsed_2las 1
23 1 . . . parsed_2las 1
24 1 . . . parsed_2las 1
25 1 . . . parsed_2las 1
26 1 . . . parsed_2las 1
27 1 . . . parsed_2las 1
28 1 . . . parsed_2las 1
29 1 . . . parsed_2las 1
30 1 . . . parsed_2las 1
31 1 . . . parsed_2las 1
32 1 . . . parsed_2las 1
33 1 . . . parsed_2las 1
34 1 . . . parsed_2las 1
35 1 . . . parsed_2las 1
36 1 . . . parsed_2las 1
37 1 . . . parsed_2las 1
38 1 . . . parsed_2las 1
39 1 . . . parsed_2las 1
40 1 . . . parsed_2las 1
41 1 . . . parsed_2las 1
42 1 . . . parsed_2las 1
43 1 . . . parsed_2las 1
44 1 . . . parsed_2las 1
45 1 . . . parsed_2las 1
46 1 . . . parsed_2las 1
47 1 . . . parsed_2las 1
48 1 . . . parsed_2las 1
49 1 . . . parsed_2las 1
50 1 . . . parsed_2las 1
51 1 . . . parsed_2las 1
52 1 . . . parsed_2las 1
53 1 . . . parsed_2las 1
54 1 . . . parsed_2las 1
55 1 . . . parsed_2las 1
56 1 . . . parsed_2las 1
57 1 . . . parsed_2las 1
58 1 . . . parsed_2las 1
59 1 . . . parsed_2las 1
60 1 . . . parsed_2las 1
61 1 . . . parsed_2las 1
62 1 . . . parsed_2las 1
63 1 . . . parsed_2las 1
64 1 . . . parsed_2las 1
65 1 . . . parsed_2las 1
66 1 . . . parsed_2las 1
67 1 . . . parsed_2las 1
68 1 . . . parsed_2las 1
69 1 . . . parsed_2las 1
70 1 . . . parsed_2las 1
71 1 . . . parsed_2las 1
72 1 . . . parsed_2las 1
73 1 . . . parsed_2las 1
74 1 . . . parsed_2las 1
75 1 . . . parsed_2las 1
76 1 . . . parsed_2las 1
77 1 . . . parsed_2las 1
78 1 . . . parsed_2las 1
79 1 . . . parsed_2las 1
80 1 . . . parsed_2las 1
81 1 . . . parsed_2las 1
82 1 . . . parsed_2las 1
83 1 . . . parsed_2las 1
84 1 . . . parsed_2las 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 . . . . . . . . A 33 . HN parsed_2las 1
1 1 2 . . . . . . . . B 2716 . HD# parsed_2las 1
2 1 1 . . . . . . . . A 37 . HN parsed_2las 1
2 1 2 . . . . . . . . B 2711 . HG2# parsed_2las 1
3 1 1 . . . . . . . . A 33 . HN parsed_2las 1
3 1 2 . . . . . . . . B 2716 . HG# parsed_2las 1
4 1 1 . . . . . . . . A 39 . HN parsed_2las 1
4 1 2 . . . . . . . . B 2709 . HA parsed_2las 1
5 1 1 . . . . . . . . A 39 . HN parsed_2las 1
5 1 2 . . . . . . . . B 2709 . HB# parsed_2las 1
6 1 1 . . . . . . . . A 39 . HN parsed_2las 1
6 1 2 . . . . . . . . B 2709 . HG# parsed_2las 1
7 1 1 . . . . . . . . A 37 . HN parsed_2las 1
7 1 2 . . . . . . . . B 2710 . HA parsed_2las 1
8 1 1 . . . . . . . . A 39 . HN parsed_2las 1
8 1 2 . . . . . . . . B 2710 . HB parsed_2las 1
9 1 1 . . . . . . . . A 37 . HN parsed_2las 1
9 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
10 1 1 . . . . . . . . A 39 . HN parsed_2las 1
10 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
11 1 1 . . . . . . . . A 47 . HN parsed_2las 1
11 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
12 1 1 . . . . . . . . A 49 . HN parsed_2las 1
12 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
13 1 1 . . . . . . . . A 39 . HN parsed_2las 1
13 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
14 1 1 . . . . . . . . A 46 . HN parsed_2las 1
14 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
15 1 1 . . . . . . . . A 47 . HN parsed_2las 1
15 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
16 1 1 . . . . . . . . A 48 . HN parsed_2las 1
16 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
17 1 1 . . . . . . . . A 37 . HN parsed_2las 1
17 1 2 . . . . . . . . B 2711 . HA parsed_2las 1
18 1 1 . . . . . . . . A 37 . HN parsed_2las 1
18 1 2 . . . . . . . . B 2711 . HB parsed_2las 1
19 1 1 . . . . . . . . A 37 . HN parsed_2las 1
19 1 2 . . . . . . . . B 2711 . HG1# parsed_2las 1
20 1 1 . . . . . . . . A 37 . HN parsed_2las 1
20 1 2 . . . . . . . . B 2711 . HG1# parsed_2las 1
21 1 1 . . . . . . . . A 37 . HN parsed_2las 1
21 1 2 . . . . . . . . B 2712 . HA parsed_2las 1
22 1 1 . . . . . . . . A 55 . HN parsed_2las 1
22 1 2 . . . . . . . . B 2712 . HD1# parsed_2las 1
23 1 1 . . . . . . . . A 35 . HN parsed_2las 1
23 1 2 . . . . . . . . B 2712 . HG2# parsed_2las 1
24 1 1 . . . . . . . . A 35 . HN parsed_2las 1
24 1 2 . . . . . . . . B 2713 . HG# parsed_2las 1
25 1 1 . . . . . . . . A 35 . HN parsed_2las 1
25 1 2 . . . . . . . . B 2714 . HA parsed_2las 1
26 1 1 . . . . . . . . A 35 . HN parsed_2las 1
26 1 2 . . . . . . . . B 2714 . HB# parsed_2las 1
27 1 1 . . . . . . . . A 35 . HN parsed_2las 1
27 1 2 . . . . . . . . B 2714 . HB# parsed_2las 1
28 1 1 . . . . . . . . A 35 . HN parsed_2las 1
28 1 2 . . . . . . . . B 2714 . HE3 parsed_2las 1
29 1 1 . . . . . . . . A 35 . HN parsed_2las 1
29 1 2 . . . . . . . . B 2714 . HN parsed_2las 1
30 1 1 . . . . . . . . A 35 . HN parsed_2las 1
30 1 2 . . . . . . . . B 2715 . HA parsed_2las 1
31 1 1 . . . . . . . . A 33 . HN parsed_2las 1
31 1 2 . . . . . . . . B 2716 . HG# parsed_2las 1
32 1 1 . . . . . . . . A 51 . HN parsed_2las 1
32 1 2 . . . . . . . . B 2710 . HG# parsed_2las 1
33 1 1 . . . . . . . . A 54 . HN parsed_2las 1
33 1 2 . . . . . . . . B 2712 . HD1# parsed_2las 1
34 1 1 . . . . . . . . B 2709 . HA parsed_2las 1
34 1 2 . . . . . . . . B 2710 . HN parsed_2las 1
35 1 1 . . . . . . . . B 2713 . HA parsed_2las 1
35 1 2 . . . . . . . . B 2713 . HN parsed_2las 1
36 1 1 . . . . . . . . B 2709 . HA parsed_2las 1
36 1 2 . . . . . . . . B 2710 . HN parsed_2las 1
37 1 1 . . . . . . . . B 2711 . HA parsed_2las 1
37 1 2 . . . . . . . . B 2711 . HN parsed_2las 1
38 1 1 . . . . . . . . B 2712 . HA parsed_2las 1
38 1 2 . . . . . . . . B 2712 . HN parsed_2las 1
39 1 1 . . . . . . . . B 2712 . HA parsed_2las 1
39 1 2 . . . . . . . . B 2714 . HN parsed_2las 1
40 1 1 . . . . . . . . B 2713 . HA parsed_2las 1
40 1 2 . . . . . . . . B 2713 . HN parsed_2las 1
41 1 1 . . . . . . . . B 2715 . HA parsed_2las 1
41 1 2 . . . . . . . . B 2715 . HN parsed_2las 1
42 1 1 . . . . . . . . B 2707 . HA parsed_2las 1
42 1 2 . . . . . . . . B 2707 . HN parsed_2las 1
43 1 1 . . . . . . . . B 2710 . HA parsed_2las 1
43 1 2 . . . . . . . . B 2710 . HN parsed_2las 1
44 1 1 . . . . . . . . B 2707 . HG# parsed_2las 1
44 1 2 . . . . . . . . B 2707 . HA parsed_2las 1
45 1 1 . . . . . . . . B 2709 . HG# parsed_2las 1
45 1 2 . . . . . . . . B 2709 . HA parsed_2las 1
46 1 1 . . . . . . . . B 2712 . HD1# parsed_2las 1
46 1 2 . . . . . . . . B 2712 . HA parsed_2las 1
47 1 1 . . . . . . . . B 2714 . HB# parsed_2las 1
47 1 2 . . . . . . . . B 2714 . HB# parsed_2las 1
48 1 1 . . . . . . . . B 2714 . HE3 parsed_2las 1
48 1 2 . . . . . . . . B 2714 . HZ# parsed_2las 1
49 1 1 . . . . . . . . B 2714 . HZ# parsed_2las 1
49 1 2 . . . . . . . . B 2714 . HH2 parsed_2las 1
50 1 1 . . . . . . . . B 2715 . HB# parsed_2las 1
50 1 2 . . . . . . . . B 2715 . HA parsed_2las 1
51 1 1 . . . . . . . . B 2715 . HB# parsed_2las 1
51 1 2 . . . . . . . . B 2715 . HA parsed_2las 1
52 1 1 . . . . . . . . B 2715 . HG# parsed_2las 1
52 1 2 . . . . . . . . B 2715 . HA parsed_2las 1
53 1 1 . . . . . . . . B 2716 . HB# parsed_2las 1
53 1 2 . . . . . . . . B 2716 . HE# parsed_2las 1
54 1 1 . . . . . . . . B 2716 . HD# parsed_2las 1
54 1 2 . . . . . . . . B 2716 . HA parsed_2las 1
55 1 1 . . . . . . . . B 2705 . HB# parsed_2las 1
55 1 2 . . . . . . . . B 2705 . HA parsed_2las 1
56 1 1 . . . . . . . . B 2708 . HB parsed_2las 1
56 1 2 . . . . . . . . B 2708 . HA parsed_2las 1
57 1 1 . . . . . . . . B 2710 . HB parsed_2las 1
57 1 2 . . . . . . . . B 2710 . HA parsed_2las 1
58 1 1 . . . . . . . . B 2710 . HG# parsed_2las 1
58 1 2 . . . . . . . . B 2710 . HA parsed_2las 1
59 1 1 . . . . . . . . B 2711 . HB parsed_2las 1
59 1 2 . . . . . . . . B 2711 . HA parsed_2las 1
60 1 1 . . . . . . . . B 2711 . HG1# parsed_2las 1
60 1 2 . . . . . . . . B 2711 . HA parsed_2las 1
61 1 1 . . . . . . . . B 2714 . HB# parsed_2las 1
61 1 2 . . . . . . . . B 2714 . HA parsed_2las 1
62 1 1 . . . . . . . . B 2714 . HB# parsed_2las 1
62 1 2 . . . . . . . . B 2714 . HA parsed_2las 1
63 1 1 . . . . . . . . B 2716 . HB# parsed_2las 1
63 1 2 . . . . . . . . B 2716 . HE# parsed_2las 1
64 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
64 1 2 . . . . . . . . B 2714 . HH2 parsed_2las 1
65 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
65 1 2 . . . . . . . . B 2716 . HE# parsed_2las 1
66 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
66 1 2 . . . . . . . . B 2716 . HA parsed_2las 1
67 1 1 . . . . . . . . B 2717 . HB# parsed_2las 1
67 1 2 . . . . . . . . B 2717 . HA parsed_2las 1
68 1 1 . . . . . . . . B 2717 . HB# parsed_2las 1
68 1 2 . . . . . . . . B 2717 . HA parsed_2las 1
69 1 1 . . . . . . . . B 2717 . HG# parsed_2las 1
69 1 2 . . . . . . . . B 2717 . HA parsed_2las 1
70 1 1 . . . . . . . . B 2708 . HG1# parsed_2las 1
70 1 2 . . . . . . . . B 2708 . HA parsed_2las 1
71 1 1 . . . . . . . . B 2711 . HD1# parsed_2las 1
71 1 2 . . . . . . . . B 2711 . HA parsed_2las 1
72 1 1 . . . . . . . . B 2711 . HG1# parsed_2las 1
72 1 2 . . . . . . . . B 2711 . HA parsed_2las 1
73 1 1 . . . . . . . . B 2716 . HD# parsed_2las 1
73 1 2 . . . . . . . . B 2714 . HZ# parsed_2las 1
74 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
74 1 2 . . . . . . . . B 2714 . HZ# parsed_2las 1
75 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
75 1 2 . . . . . . . . B 2714 . HZ# parsed_2las 1
76 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
76 1 2 . . . . . . . . B 2716 . HE# parsed_2las 1
77 1 1 . . . . . . . . B 2717 . HB# parsed_2las 1
77 1 2 . . . . . . . . B 2714 . HH2 parsed_2las 1
78 1 1 . . . . . . . . B 2708 . HG1# parsed_2las 1
78 1 2 . . . . . . . . B 2708 . HA parsed_2las 1
79 1 1 . . . . . . . . B 2712 . HG2# parsed_2las 1
79 1 2 . . . . . . . . B 2713 . HA parsed_2las 1
80 1 1 . . . . . . . . B 2714 . HB# parsed_2las 1
80 1 2 . . . . . . . . B 2714 . HD1 parsed_2las 1
81 1 1 . . . . . . . . B 2714 . HB# parsed_2las 1
81 1 2 . . . . . . . . B 2714 . HE3 parsed_2las 1
82 1 1 . . . . . . . . B 2714 . HZ# parsed_2las 1
82 1 2 . . . . . . . . B 2714 . HZ# parsed_2las 1
83 1 1 . . . . . . . . B 2716 . HG# parsed_2las 1
83 1 2 . . . . . . . . B 2714 . HH2 parsed_2las 1
84 1 1 . . . . . . . . B 2717 . HD# parsed_2las 1
84 1 2 . . . . . . . . B 2717 . HA parsed_2las 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 . . . . . 4.0 1.7 4.5 parsed_2las 1
2 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
3 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
4 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
5 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
6 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
7 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
8 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
9 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
10 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
11 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
12 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
13 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
14 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
15 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
16 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
17 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
18 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
19 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
20 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
21 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
22 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
23 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
24 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
25 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
26 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
27 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
28 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
29 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
30 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
31 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
32 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
33 1 . . . . . 6.0 1.7 6.5 parsed_2las 1
34 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
35 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
36 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
37 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
38 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
39 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
40 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
41 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
42 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
43 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
44 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
45 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
46 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
47 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
48 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
49 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
50 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
51 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
52 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
53 1 . . . . . 2.1 1.7 2.6 parsed_2las 1
54 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
55 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
56 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
57 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
58 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
59 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
60 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
61 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
62 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
63 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
64 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
65 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
66 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
67 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
68 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
69 1 . . . . . 3.0 1.2 3.5 parsed_2las 1
70 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
71 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
72 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
73 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
74 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
75 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
76 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
77 1 . . . . . 4.0 1.7 4.5 parsed_2las 1
78 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
79 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
80 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
81 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
82 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
83 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
84 1 . . . . . 5.0 1.7 5.5 parsed_2las 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2las
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -47.00 . B 2705 . C B 2706 . N B 2706 . CA B 2706 . C parsed_2las 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 0.00 . B 2706 . N B 2706 . CA B 2706 . C B 2707 . N parsed_2las 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -58.00 . B 2706 . C B 2707 . N B 2707 . CA B 2707 . C parsed_2las 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 11.00 . B 2707 . N B 2707 . CA B 2707 . C B 2708 . N parsed_2las 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -44.00 . B 2707 . C B 2708 . N B 2708 . CA B 2708 . C parsed_2las 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 178.00 . B 2708 . N B 2708 . CA B 2708 . C B 2709 . N parsed_2las 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.00 -45.00 . B 2708 . C B 2709 . N B 2709 . CA B 2709 . C parsed_2las 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 156.00 . B 2709 . N B 2709 . CA B 2709 . C B 2710 . N parsed_2las 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.72 -98.44 . B 2709 . C B 2710 . N B 2710 . CA B 2710 . C parsed_2las 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.54 165.38 . B 2710 . N B 2710 . CA B 2710 . C B 2711 . N parsed_2las 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.12 -107.44 . B 2710 . C B 2711 . N B 2711 . CA B 2711 . C parsed_2las 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.90 185.10 . B 2711 . N B 2711 . CA B 2711 . C B 2712 . N parsed_2las 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.19 -52.83 . B 2711 . C B 2712 . N B 2712 . CA B 2712 . C parsed_2las 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.57 161.17 . B 2712 . N B 2712 . CA B 2712 . C B 2713 . N parsed_2las 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.73 -80.45 . B 2712 . C B 2713 . N B 2713 . CA B 2713 . C parsed_2las 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.10 193.98 . B 2713 . N B 2713 . CA B 2713 . C B 2714 . N parsed_2las 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -57.00 . B 2713 . C B 2714 . N B 2714 . CA B 2714 . C parsed_2las 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 184.00 . B 2714 . N B 2714 . CA B 2714 . C B 2715 . N parsed_2las 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.00 -91.00 . B 2714 . C B 2715 . N B 2715 . CA B 2715 . C parsed_2las 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.00 188.00 . B 2715 . N B 2715 . CA B 2715 . C B 2716 . N parsed_2las 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -55.00 . B 2715 . C B 2716 . N B 2716 . CA B 2716 . C parsed_2las 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.00 171.00 . B 2716 . N B 2716 . CA B 2716 . C B 2717 . N parsed_2las 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.19 -80.31 . A 21 . C A 22 . N A 22 . CA A 22 . C parsed_2las 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.70 171.34 . A 22 . N A 22 . CA A 22 . C A 23 . N parsed_2las 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.73 -75.01 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2las 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.76 187.32 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2las 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.72 -67.80 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2las 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.00 178.28 . A 25 . N A 25 . CA A 25 . C A 26 . N parsed_2las 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.98 -61.82 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2las 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.30 155.02 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2las 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.91 -86.71 . A 26 . C A 27 . N A 27 . CA A 27 . C parsed_2las 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.19 142.87 . A 27 . N A 27 . CA A 27 . C A 28 . N parsed_2las 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.96 -109.84 . A 32 . C A 33 . N A 33 . CA A 33 . C parsed_2las 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.14 169.90 . A 33 . N A 33 . CA A 33 . C A 34 . N parsed_2las 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.61 -69.01 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2las 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.84 156.88 . A 34 . N A 34 . CA A 34 . C A 35 . N parsed_2las 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.03 -89.27 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2las 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.66 159.70 . A 35 . N A 35 . CA A 35 . C A 36 . N parsed_2las 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.23 -93.11 . A 35 . C A 36 . N A 36 . CA A 36 . C parsed_2las 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.89 154.69 . A 36 . N A 36 . CA A 36 . C A 37 . N parsed_2las 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.26 -63.86 . A 36 . C A 37 . N A 37 . CA A 37 . C parsed_2las 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.65 162.93 . A 37 . N A 37 . CA A 37 . C A 38 . N parsed_2las 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.80 -90.32 . A 37 . C A 38 . N A 38 . CA A 38 . C parsed_2las 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.55 172.39 . A 38 . N A 38 . CA A 38 . C A 39 . N parsed_2las 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.46 -71.10 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2las 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.90 150.58 . A 42 . N A 42 . CA A 42 . C A 43 . N parsed_2las 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.14 -49.70 . A 44 . C A 45 . N A 45 . CA A 45 . C parsed_2las 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.67 -6.35 . A 45 . N A 45 . CA A 45 . C A 46 . N parsed_2las 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.58 -51.30 . A 46 . C A 47 . N A 47 . CA A 47 . C parsed_2las 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.88 -28.44 . A 47 . N A 47 . CA A 47 . C A 48 . N parsed_2las 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.33 -54.73 . A 47 . C A 48 . N A 48 . CA A 48 . C parsed_2las 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.51 -28.51 . A 48 . N A 48 . CA A 48 . C A 49 . N parsed_2las 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.95 -48.15 . A 48 . C A 49 . N A 49 . CA A 49 . C parsed_2las 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.77 -18.81 . A 49 . N A 49 . CA A 49 . C A 50 . N parsed_2las 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.74 -55.14 . A 49 . C A 50 . N A 50 . CA A 50 . C parsed_2las 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.10 -28.98 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2las 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.46 -49.34 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2las 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.25 -37.25 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2las 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.78 -52.90 . A 51 . C A 52 . N A 52 . CA A 52 . C parsed_2las 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.19 -27.51 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2las 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.53 -51.49 . A 52 . C A 53 . N A 53 . CA A 53 . C parsed_2las 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.52 -29.44 . A 53 . N A 53 . CA A 53 . C A 54 . N parsed_2las 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.42 -48.42 . A 53 . C A 54 . N A 54 . CA A 54 . C parsed_2las 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.52 4.16 . A 54 . N A 54 . CA A 54 . C A 55 . N parsed_2las 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 "N 2706 Phi Psi" 1 1 1 17 parsed_2las 1
2 "E 2707 Phi Psi" 6 1 6 17 parsed_2las 1
3 "I 2708 Phi Psi" 11 1 11 17 parsed_2las 1
4 "E 2709 Phi Psi" 16 1 16 17 parsed_2las 1
5 "V 2710 Phi Psi" 21 1 21 17 parsed_2las 1
6 "I 2711 Phi Psi" 26 1 26 17 parsed_2las 1
7 "I 2712 Phi Psi" 31 1 31 17 parsed_2las 1
8 "V 2713 Phi Psi" 36 1 36 17 parsed_2las 1
9 "W 2714 Phi Psi" 41 1 41 17 parsed_2las 1
10 "E 2715 Phi Psi" 46 1 46 17 parsed_2las 1
11 "K 2716 Phi Psi" 51 1 51 17 parsed_2las 1
12 "I 22 Phi Psi" 56 1 56 16 parsed_2las 1
13 "L 24 Phi Psi" 61 1 61 16 parsed_2las 1
14 "K 25 Phi Psi" 66 1 66 16 parsed_2las 1
15 "V 26 Phi Psi" 71 1 71 16 parsed_2las 1
16 "I 27 Phi Psi" 76 1 76 16 parsed_2las 1
17 "E 33 Phi Psi" 81 1 81 16 parsed_2las 1
18 "I 34 Phi Psi" 86 1 86 16 parsed_2las 1
19 "H 35 Phi Psi" 91 1 91 16 parsed_2las 1
20 "F 36 Phi Psi" 96 1 96 16 parsed_2las 1
21 "K 37 Phi Psi" 101 1 101 16 parsed_2las 1
22 "V 38 Phi Psi" 106 1 106 16 parsed_2las 1
23 "T 42 Phi Psi" 111 1 111 16 parsed_2las 1
24 "K 45 Phi Psi" 116 1 116 16 parsed_2las 1
25 "L 47 Phi Psi" 121 1 121 16 parsed_2las 1
26 "K 48 Phi Psi" 126 1 126 16 parsed_2las 1
27 "E 49 Phi Psi" 131 1 131 16 parsed_2las 1
28 "S 50 Phi Psi" 136 1 136 16 parsed_2las 1
29 "Y 51 Phi Psi" 141 1 141 16 parsed_2las 1
30 "C 52 Phi Psi" 146 1 146 16 parsed_2las 1
31 "Q 53 Phi Psi" 151 1 151 16 parsed_2las 1
32 "R 54 Phi Psi" 156 1 156 16 parsed_2las 1
stop_
save_
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