NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
576184 |
2mkv   |
19797 | cing | 2-parsed | STAR | entry | full | 174 |
data_2mkv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mkv
_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_2mkv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mkv
_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 2mkv "Master copy" parsed_2mkv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mkv
_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 2mkv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 38 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_2mkv 1
1 2mkv.mr . . XPLOR/CNS 5 distance PRE "Not applicable" 0 parsed_2mkv 1
1 2mkv.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mkv 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_2mkv
_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 TRANSPORT PROTEIN 13-FEB-14 2MKV
*TITLE STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN FXYD2B IN MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SODIUM/POTASSIUM-TRANSPORTING ATPASE SUBUNIT GAMMA;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 9-66;
*COMPND 5 SYNONYM: NA(+)/K(+) ATPASE SUBUNIT GAMMA, FXYD DOMAIN-CONTAINING ION
*COMPND 6 TRANSPORT REGULATOR 2, SODIUM PUMP GAMMA CHAIN;
*COMPND 7 ENGINEERED: YES;
*COMPND 8 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: ATP1C, ATP1G1, FXYD2, FXYD2B;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41 DE3;
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: N/A;
*SOURCE 10 OTHER_DETAILS: SEQUENCE CONTAINS THE MUTATIONS M1L AND C50S
*KEYWDS FXYD2B, NA,K-ATPASE, FXYD, MICELLE, TRANSPORT PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR F.M.MARASSI, X.GONG
*REVDAT 1 14-MAY-14 2MKV 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mkv
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2mkv 1
2 1 . . . parsed_2mkv 1
3 1 . . . parsed_2mkv 1
4 1 . . . parsed_2mkv 1
5 1 . . . parsed_2mkv 1
6 1 . . . parsed_2mkv 1
7 1 . . . parsed_2mkv 1
8 1 . . . parsed_2mkv 1
9 1 . . . parsed_2mkv 1
10 1 . . . parsed_2mkv 1
11 1 . . . parsed_2mkv 1
12 1 . . . parsed_2mkv 1
13 1 . . . parsed_2mkv 1
14 1 . . . parsed_2mkv 1
15 1 . . . parsed_2mkv 1
16 1 . . . parsed_2mkv 1
17 1 . . . parsed_2mkv 1
18 1 . . . parsed_2mkv 1
19 1 . . . parsed_2mkv 1
20 1 . . . parsed_2mkv 1
21 1 . . . parsed_2mkv 1
22 1 . . . parsed_2mkv 1
23 1 . . . parsed_2mkv 1
24 1 . . . parsed_2mkv 1
25 1 . . . parsed_2mkv 1
26 1 . . . parsed_2mkv 1
27 1 . . . parsed_2mkv 1
28 1 . . . parsed_2mkv 1
29 1 . . . parsed_2mkv 1
30 1 . . . parsed_2mkv 1
31 1 . . . parsed_2mkv 1
32 1 . . . parsed_2mkv 1
33 1 . . . parsed_2mkv 1
34 1 . . . parsed_2mkv 1
35 1 . . . parsed_2mkv 1
36 1 . . . parsed_2mkv 1
37 1 . . . parsed_2mkv 1
38 1 . . . parsed_2mkv 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 . . . . . . . . . 26 . O parsed_2mkv 1
1 1 2 . . . . . . . . . 30 . N parsed_2mkv 1
2 1 1 . . . . . . . . . 27 . O parsed_2mkv 1
2 1 2 . . . . . . . . . 31 . N parsed_2mkv 1
3 1 1 . . . . . . . . . 28 . O parsed_2mkv 1
3 1 2 . . . . . . . . . 32 . N parsed_2mkv 1
4 1 1 . . . . . . . . . 29 . O parsed_2mkv 1
4 1 2 . . . . . . . . . 33 . N parsed_2mkv 1
5 1 1 . . . . . . . . . 30 . O parsed_2mkv 1
5 1 2 . . . . . . . . . 34 . N parsed_2mkv 1
6 1 1 . . . . . . . . . 31 . O parsed_2mkv 1
6 1 2 . . . . . . . . . 35 . N parsed_2mkv 1
7 1 1 . . . . . . . . . 32 . O parsed_2mkv 1
7 1 2 . . . . . . . . . 36 . N parsed_2mkv 1
8 1 1 . . . . . . . . . 33 . O parsed_2mkv 1
8 1 2 . . . . . . . . . 37 . N parsed_2mkv 1
9 1 1 . . . . . . . . . 34 . O parsed_2mkv 1
9 1 2 . . . . . . . . . 38 . N parsed_2mkv 1
10 1 1 . . . . . . . . . 35 . O parsed_2mkv 1
10 1 2 . . . . . . . . . 39 . N parsed_2mkv 1
11 1 1 . . . . . . . . . 36 . O parsed_2mkv 1
11 1 2 . . . . . . . . . 40 . N parsed_2mkv 1
12 1 1 . . . . . . . . . 37 . O parsed_2mkv 1
12 1 2 . . . . . . . . . 41 . N parsed_2mkv 1
13 1 1 . . . . . . . . . 38 . O parsed_2mkv 1
13 1 2 . . . . . . . . . 42 . N parsed_2mkv 1
14 1 1 . . . . . . . . . 39 . O parsed_2mkv 1
14 1 2 . . . . . . . . . 43 . N parsed_2mkv 1
15 1 1 . . . . . . . . . 40 . O parsed_2mkv 1
15 1 2 . . . . . . . . . 44 . N parsed_2mkv 1
16 1 1 . . . . . . . . . 41 . O parsed_2mkv 1
16 1 2 . . . . . . . . . 45 . N parsed_2mkv 1
17 1 1 . . . . . . . . . 42 . O parsed_2mkv 1
17 1 2 . . . . . . . . . 46 . N parsed_2mkv 1
18 1 1 . . . . . . . . . 43 . O parsed_2mkv 1
18 1 2 . . . . . . . . . 47 . N parsed_2mkv 1
19 1 1 . . . . . . . . . 44 . O parsed_2mkv 1
19 1 2 . . . . . . . . . 48 . N parsed_2mkv 1
20 1 1 . . . . . . . . . 26 . O parsed_2mkv 1
20 1 2 . . . . . . . . . 30 . HN parsed_2mkv 1
21 1 1 . . . . . . . . . 27 . O parsed_2mkv 1
21 1 2 . . . . . . . . . 31 . HN parsed_2mkv 1
22 1 1 . . . . . . . . . 28 . O parsed_2mkv 1
22 1 2 . . . . . . . . . 32 . HN parsed_2mkv 1
23 1 1 . . . . . . . . . 29 . O parsed_2mkv 1
23 1 2 . . . . . . . . . 33 . HN parsed_2mkv 1
24 1 1 . . . . . . . . . 30 . O parsed_2mkv 1
24 1 2 . . . . . . . . . 34 . HN parsed_2mkv 1
25 1 1 . . . . . . . . . 31 . O parsed_2mkv 1
25 1 2 . . . . . . . . . 35 . HN parsed_2mkv 1
26 1 1 . . . . . . . . . 32 . O parsed_2mkv 1
26 1 2 . . . . . . . . . 36 . HN parsed_2mkv 1
27 1 1 . . . . . . . . . 33 . O parsed_2mkv 1
27 1 2 . . . . . . . . . 37 . HN parsed_2mkv 1
28 1 1 . . . . . . . . . 34 . O parsed_2mkv 1
28 1 2 . . . . . . . . . 38 . HN parsed_2mkv 1
29 1 1 . . . . . . . . . 35 . O parsed_2mkv 1
29 1 2 . . . . . . . . . 39 . HN parsed_2mkv 1
30 1 1 . . . . . . . . . 36 . O parsed_2mkv 1
30 1 2 . . . . . . . . . 40 . HN parsed_2mkv 1
31 1 1 . . . . . . . . . 37 . O parsed_2mkv 1
31 1 2 . . . . . . . . . 41 . HN parsed_2mkv 1
32 1 1 . . . . . . . . . 38 . O parsed_2mkv 1
32 1 2 . . . . . . . . . 42 . HN parsed_2mkv 1
33 1 1 . . . . . . . . . 39 . O parsed_2mkv 1
33 1 2 . . . . . . . . . 43 . HN parsed_2mkv 1
34 1 1 . . . . . . . . . 40 . O parsed_2mkv 1
34 1 2 . . . . . . . . . 44 . HN parsed_2mkv 1
35 1 1 . . . . . . . . . 41 . O parsed_2mkv 1
35 1 2 . . . . . . . . . 45 . HN parsed_2mkv 1
36 1 1 . . . . . . . . . 42 . O parsed_2mkv 1
36 1 2 . . . . . . . . . 46 . HN parsed_2mkv 1
37 1 1 . . . . . . . . . 43 . O parsed_2mkv 1
37 1 2 . . . . . . . . . 47 . HN parsed_2mkv 1
38 1 1 . . . . . . . . . 44 . O parsed_2mkv 1
38 1 2 . . . . . . . . . 48 . HN parsed_2mkv 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 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
2 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
3 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
4 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
5 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
6 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
7 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
8 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
9 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
10 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
11 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
12 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
13 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
14 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
15 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
16 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
17 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
18 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
19 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
20 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
21 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
22 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
23 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
24 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
25 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
26 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
27 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
28 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
29 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
30 1 . . . . . 2.0 1.75 2.25 parsed_2mkv 1
31 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
32 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
33 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
34 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
35 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
36 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
37 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 1
38 1 . . . . . 3.0 2.75 3.25 parsed_2mkv 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
;
! FXYD2b RESTRAINTS
! H-bonds measured from HD exchange and implemented as NOE restraints
!###########################################################################
;
1 1 4 78 parsed_2mkv 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mkv
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -0.050 . . . . . 2 . N . 2 . HN parsed_2mkv 1
2 . . . . . . . . . . . . . . . . -0.580 . . . . . 3 . N . 3 . HN parsed_2mkv 1
3 . . . . . . . . . . . . . . . . 0.470 . . . . . 4 . N . 4 . HN parsed_2mkv 1
4 . . . . . . . . . . . . . . . . 0.230 . . . . . 5 . N . 5 . HN parsed_2mkv 1
5 . . . . . . . . . . . . . . . . -0.950 . . . . . 6 . N . 6 . HN parsed_2mkv 1
6 . . . . . . . . . . . . . . . . -0.140 . . . . . 7 . N . 7 . HN parsed_2mkv 1
7 . . . . . . . . . . . . . . . . 0.500 . . . . . 8 . N . 8 . HN parsed_2mkv 1
8 . . . . . . . . . . . . . . . . -0.520 . . . . . 9 . N . 9 . HN parsed_2mkv 1
9 . . . . . . . . . . . . . . . . -0.040 . . . . . 11 . N . 11 . HN parsed_2mkv 1
10 . . . . . . . . . . . . . . . . -0.680 . . . . . 12 . N . 12 . HN parsed_2mkv 1
11 . . . . . . . . . . . . . . . . -0.710 . . . . . 13 . N . 13 . HN parsed_2mkv 1
12 . . . . . . . . . . . . . . . . -2.350 . . . . . 14 . N . 14 . HN parsed_2mkv 1
13 . . . . . . . . . . . . . . . . -0.920 . . . . . 15 . N . 15 . HN parsed_2mkv 1
14 . . . . . . . . . . . . . . . . -1.110 . . . . . 17 . N . 17 . HN parsed_2mkv 1
15 . . . . . . . . . . . . . . . . -1.810 . . . . . 18 . N . 18 . HN parsed_2mkv 1
16 . . . . . . . . . . . . . . . . -1.200 . . . . . 19 . N . 19 . HN parsed_2mkv 1
17 . . . . . . . . . . . . . . . . -1.130 . . . . . 20 . N . 20 . HN parsed_2mkv 1
18 . . . . . . . . . . . . . . . . -1.080 . . . . . 21 . N . 21 . HN parsed_2mkv 1
19 . . . . . . . . . . . . . . . . 2.760 . . . . . 22 . N . 22 . HN parsed_2mkv 1
20 . . . . . . . . . . . . . . . . 1.840 . . . . . 23 . N . 23 . HN parsed_2mkv 1
21 . . . . . . . . . . . . . . . . 0.570 . . . . . 24 . N . 24 . HN parsed_2mkv 1
22 . . . . . . . . . . . . . . . . 0.900 . . . . . 25 . N . 25 . HN parsed_2mkv 1
23 . . . . . . . . . . . . . . . . -3.050 . . . . . 26 . N . 26 . HN parsed_2mkv 1
24 . . . . . . . . . . . . . . . . 2.030 . . . . . 27 . N . 27 . HN parsed_2mkv 1
25 . . . . . . . . . . . . . . . . -1.910 . . . . . 28 . N . 28 . HN parsed_2mkv 1
26 . . . . . . . . . . . . . . . . -7.240 . . . . . 29 . N . 29 . HN parsed_2mkv 1
27 . . . . . . . . . . . . . . . . -5.980 . . . . . 30 . N . 30 . HN parsed_2mkv 1
28 . . . . . . . . . . . . . . . . 1.330 . . . . . 31 . N . 31 . HN parsed_2mkv 1
29 . . . . . . . . . . . . . . . . -6.040 . . . . . 32 . N . 32 . HN parsed_2mkv 1
30 . . . . . . . . . . . . . . . . -11.440 . . . . . 33 . N . 33 . HN parsed_2mkv 1
31 . . . . . . . . . . . . . . . . -1.740 . . . . . 34 . N . 34 . HN parsed_2mkv 1
32 . . . . . . . . . . . . . . . . -8.150 . . . . . 35 . N . 35 . HN parsed_2mkv 1
33 . . . . . . . . . . . . . . . . -8.760 . . . . . 36 . N . 36 . HN parsed_2mkv 1
34 . . . . . . . . . . . . . . . . -10.140 . . . . . 37 . N . 37 . HN parsed_2mkv 1
35 . . . . . . . . . . . . . . . . -5.240 . . . . . 38 . N . 38 . HN parsed_2mkv 1
36 . . . . . . . . . . . . . . . . -8.310 . . . . . 39 . N . 39 . HN parsed_2mkv 1
37 . . . . . . . . . . . . . . . . -10.800 . . . . . 40 . N . 40 . HN parsed_2mkv 1
38 . . . . . . . . . . . . . . . . -10.680 . . . . . 41 . N . 41 . HN parsed_2mkv 1
39 . . . . . . . . . . . . . . . . -6.620 . . . . . 42 . N . 42 . HN parsed_2mkv 1
40 . . . . . . . . . . . . . . . . -11.830 . . . . . 43 . N . 43 . HN parsed_2mkv 1
41 . . . . . . . . . . . . . . . . -11.710 . . . . . 44 . N . 44 . HN parsed_2mkv 1
42 . . . . . . . . . . . . . . . . -1.730 . . . . . 45 . N . 45 . HN parsed_2mkv 1
43 . . . . . . . . . . . . . . . . -7.130 . . . . . 46 . N . 46 . HN parsed_2mkv 1
44 . . . . . . . . . . . . . . . . -11.390 . . . . . 47 . N . 47 . HN parsed_2mkv 1
45 . . . . . . . . . . . . . . . . -0.790 . . . . . 48 . N . 48 . HN parsed_2mkv 1
46 . . . . . . . . . . . . . . . . -2.320 . . . . . 49 . N . 49 . HN parsed_2mkv 1
47 . . . . . . . . . . . . . . . . -1.390 . . . . . 50 . N . 50 . HN parsed_2mkv 1
48 . . . . . . . . . . . . . . . . -2.330 . . . . . 51 . N . 51 . HN parsed_2mkv 1
49 . . . . . . . . . . . . . . . . 0.910 . . . . . 52 . N . 52 . HN parsed_2mkv 1
50 . . . . . . . . . . . . . . . . 0.380 . . . . . 53 . N . 53 . HN parsed_2mkv 1
51 . . . . . . . . . . . . . . . . -0.290 . . . . . 54 . N . 54 . HN parsed_2mkv 1
52 . . . . . . . . . . . . . . . . -0.440 . . . . . 55 . N . 55 . HN parsed_2mkv 1
53 . . . . . . . . . . . . . . . . -0.100 . . . . . 56 . N . 56 . HN parsed_2mkv 1
54 . . . . . . . . . . . . . . . . 0.950 . . . . . 57 . N . 57 . HN parsed_2mkv 1
55 . . . . . . . . . . . . . . . . -1.530 . . . . . 58 . N . 58 . HN parsed_2mkv 1
56 . . . . . . . . . . . . . . . . -0.460 . . . . . 59 . N . 59 . HN parsed_2mkv 1
57 . . . . . . . . . . . . . . . . -1.010 . . . . . 60 . N . 60 . HN parsed_2mkv 1
58 . . . . . . . . . . . . . . . . -0.630 . . . . . 61 . N . 61 . HN parsed_2mkv 1
59 . . . . . . . . . . . . . . . . -0.770 . . . . . 62 . N . 62 . HN parsed_2mkv 1
60 . . . . . . . . . . . . . . . . -0.490 . . . . . 63 . N . 63 . HN parsed_2mkv 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 couplings from 6.5% stressed gel
!###########################################################################
! 2 D
;
1 1 3 9 parsed_2mkv 1
2 "! 3 R" 10 1 10 9 parsed_2mkv 1
3 "! 4 W" 17 1 17 9 parsed_2mkv 1
4 "! 5 Y" 24 1 24 9 parsed_2mkv 1
5 "! 6 L" 31 1 31 9 parsed_2mkv 1
6 "! 7 G" 38 1 38 9 parsed_2mkv 1
7 "! 8 G" 45 1 45 9 parsed_2mkv 1
8 "! 9 S" 52 1 52 9 parsed_2mkv 1
9 "! 11 K" 59 1 59 9 parsed_2mkv 1
10 "! 12 G" 66 1 66 9 parsed_2mkv 1
11 "! 13 D" 73 1 73 9 parsed_2mkv 1
12 "! 14 V" 80 1 80 9 parsed_2mkv 1
13 "! 15 D" 87 1 87 9 parsed_2mkv 1
14 "! 17 F" 94 1 94 9 parsed_2mkv 1
15 "! 18 Y" 101 1 101 9 parsed_2mkv 1
16 "! 19 Y" 108 1 108 9 parsed_2mkv 1
17 "! 20 D" 115 1 115 9 parsed_2mkv 1
18 "! 21 Y" 122 1 122 9 parsed_2mkv 1
19 "! 22 E" 129 1 129 9 parsed_2mkv 1
20 "! 23 T" 136 1 136 9 parsed_2mkv 1
21 "! 24 V" 143 1 143 9 parsed_2mkv 1
22 "! 25 R" 150 1 150 9 parsed_2mkv 1
23 "! 26 N" 157 1 157 9 parsed_2mkv 1
24 "! 27 G" 164 1 164 9 parsed_2mkv 1
25 "! 28 G" 171 1 171 9 parsed_2mkv 1
26 "! 29 L" 178 1 178 9 parsed_2mkv 1
27 "! 30 I" 185 1 185 9 parsed_2mkv 1
28 "! 31 F" 192 1 192 9 parsed_2mkv 1
29 "! 32 A" 199 1 199 9 parsed_2mkv 1
30 "! 33 G" 206 1 206 9 parsed_2mkv 1
31 "! 34 L" 213 1 213 9 parsed_2mkv 1
32 "! 35 A" 220 1 220 9 parsed_2mkv 1
33 "! 36 F" 227 1 227 9 parsed_2mkv 1
34 "! 37 I" 234 1 234 9 parsed_2mkv 1
35 "! 38 V" 241 1 241 9 parsed_2mkv 1
36 "! 39 G" 248 1 248 9 parsed_2mkv 1
37 "! 40 L" 255 1 255 9 parsed_2mkv 1
38 "! 41 L" 262 1 262 9 parsed_2mkv 1
39 "! 42 I" 269 1 269 9 parsed_2mkv 1
40 "! 43 L" 276 1 276 9 parsed_2mkv 1
41 "! 44 L" 283 1 283 9 parsed_2mkv 1
42 "! 45 S" 290 1 290 9 parsed_2mkv 1
43 "! 46 R" 297 1 297 9 parsed_2mkv 1
44 "! 47 R" 304 1 304 9 parsed_2mkv 1
45 "! 48 F" 311 1 311 9 parsed_2mkv 1
46 "! 49 R" 318 1 318 9 parsed_2mkv 1
47 "! 50 S" 325 1 325 9 parsed_2mkv 1
48 "! 51 G" 332 1 332 9 parsed_2mkv 1
49 "! 52 G" 339 1 339 9 parsed_2mkv 1
50 "! 53 N" 346 1 346 9 parsed_2mkv 1
51 "! 54 K" 353 1 353 9 parsed_2mkv 1
52 "! 55 K" 360 1 360 9 parsed_2mkv 1
53 "! 56 R" 367 1 367 9 parsed_2mkv 1
54 "! 57 R" 374 1 374 9 parsed_2mkv 1
55 "! 58 Q" 381 1 381 9 parsed_2mkv 1
56 "! 59 I" 388 1 388 9 parsed_2mkv 1
57 "! 60 N" 395 1 395 9 parsed_2mkv 1
58 "! 61 E" 402 1 402 9 parsed_2mkv 1
59 "! 62 D" 409 1 409 9 parsed_2mkv 1
60 "! 63 E" 416 1 416 9 parsed_2mkv 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mkv
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.00 -70.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2mkv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.00 192.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2mkv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -87.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mkv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.00 13.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mkv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.00 -77.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mkv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 177.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mkv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -90.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mkv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 163.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mkv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -100.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mkv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.00 149.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mkv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -60.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mkv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 2.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mkv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -61.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mkv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.00 -5.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mkv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -58.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mkv 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -16.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mkv 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -60.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mkv 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.00 -9.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mkv 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -66.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mkv 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 3.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mkv 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -57.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mkv 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -33.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mkv 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -54.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mkv 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -16.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mkv 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -48.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mkv 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -30.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2mkv 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -51.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mkv 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -28.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mkv 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -60.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mkv 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -5.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mkv 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -56.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mkv 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 -27.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mkv 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -54.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mkv 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -40.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2mkv 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.04 -58.44 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2mkv 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.21 -33.81 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2mkv 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.40 -60.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2mkv 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.96 -39.76 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2mkv 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.41 -54.21 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2mkv 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.91 -35.71 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2mkv 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.60 -58.80 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2mkv 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.96 -29.16 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2mkv 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.05 -60.05 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2mkv 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.48 -24.68 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2mkv 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.99 -51.19 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2mkv 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.06 -34.66 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2mkv 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.52 -59.92 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2mkv 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.97 -28.37 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2mkv 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.13 -60.13 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2mkv 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.79 -37.19 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2mkv 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -57.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2mkv 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.82 -40.02 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2mkv 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.49 -57.29 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2mkv 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -36.20 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2mkv 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.21 -60.81 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2mkv 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.69 -35.29 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2mkv 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.40 -58.40 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2mkv 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.95 -37.35 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2mkv 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.52 -57.32 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2mkv 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.96 -34.36 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2mkv 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.33 -57.93 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2mkv 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.83 -39.23 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2mkv 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.22 -56.62 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2mkv 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.86 -33.26 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2mkv 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.64 -61.44 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2mkv 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.99 -30.39 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2mkv 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.83 -57.03 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2mkv 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.09 -38.49 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2mkv 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.66 -54.46 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2mkv 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.01 -37.61 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2mkv 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.83 -56.83 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2mkv 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.74 -22.34 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2mkv 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.94 -49.54 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2mkv 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.97 -33.57 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2mkv 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.75 -64.15 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2mkv 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.98 -14.78 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2mkv 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
;
! TALOS+ PHI PSI dihedral angles derived from chemical shifts
!###########################################################################
!ASP 2 TALOS score = 10 Good
;
1 1 3 35 parsed_2mkv 1
2 "!TRP 4 TALOS score = 10 Good" 8 1 8 35 parsed_2mkv 1
3 "!TYR 5 TALOS score = 10 Good" 13 1 13 35 parsed_2mkv 1
4 "!VAL 14 TALOS score = 10 Good" 18 1 18 35 parsed_2mkv 1
5 "!ASP 15 TALOS score = 10 Good" 23 1 23 35 parsed_2mkv 1
6 "!PHE 17 TALOS score = 10 Good" 28 1 28 35 parsed_2mkv 1
7 "!TYR 18 TALOS score = 10 Good" 33 1 33 35 parsed_2mkv 1
8 "!TYR 19 TALOS score = 9 Good" 38 1 38 35 parsed_2mkv 1
9 "!ASP 20 TALOS score = 9 Good" 43 1 43 35 parsed_2mkv 1
10 "!TYR 21 TALOS score = 10 Good" 48 1 48 35 parsed_2mkv 1
11 "!GLU 22 TALOS score = 10 Good" 53 1 53 35 parsed_2mkv 1
12 "!THR 23 TALOS score = 10 Good" 58 1 58 35 parsed_2mkv 1
13 "!VAL 24 TALOS score = 10 Good" 63 1 63 35 parsed_2mkv 1
14 "!ARG 25 TALOS score = 10 Good" 68 1 68 35 parsed_2mkv 1
15 "!ASN 26 TALOS score = 10 Good" 73 1 73 35 parsed_2mkv 1
16 "!GLY 27 TALOS score = 5 Good" 78 1 78 35 parsed_2mkv 1
17 "!GLY 28 TALOS score = 10 Good" 83 1 83 35 parsed_2mkv 1
18 "!LEU 29 TALOS score = 10 Good" 88 1 88 35 parsed_2mkv 1
19 "!ILE 30 TALOS score = 10 Good" 93 1 93 35 parsed_2mkv 1
20 "!PHE 31 TALOS score = 10 Good" 98 1 98 35 parsed_2mkv 1
21 "!ALA 32 TALOS score = 10 Good" 103 1 103 35 parsed_2mkv 1
22 "!GLY 33 TALOS score = 10 Good" 108 1 108 35 parsed_2mkv 1
23 "!LEU 34 TALOS score = 10 Good" 113 1 113 35 parsed_2mkv 1
24 "!ALA 35 TALOS score = 10 Good" 118 1 118 35 parsed_2mkv 1
25 "!PHE 36 TALOS score = 10 Good" 123 1 123 35 parsed_2mkv 1
26 "!ILE 37 TALOS score = 10 Good" 128 1 128 35 parsed_2mkv 1
27 "!VAL 38 TALOS score = 10 Good" 133 1 133 35 parsed_2mkv 1
28 "!GLY 39 TALOS score = 10 Good" 138 1 138 35 parsed_2mkv 1
29 "!LEU 40 TALOS score = 10 Good" 143 1 143 35 parsed_2mkv 1
30 "!LEU 41 TALOS score = 10 Good" 148 1 148 35 parsed_2mkv 1
31 "!ILE 42 TALOS score = 10 Good" 153 1 153 35 parsed_2mkv 1
32 "!LEU 43 TALOS score = 10 Good" 158 1 158 35 parsed_2mkv 1
33 "!LEU 44 TALOS score = 10 Good" 163 1 163 35 parsed_2mkv 1
34 "!SER 45 TALOS score = 10 Good" 168 1 168 35 parsed_2mkv 1
35 "!ARG 46 TALOS score = 10 Good" 173 1 173 35 parsed_2mkv 1
36 "!ARG 47 TALOS score = 10 Good" 178 1 178 35 parsed_2mkv 1
37 "!PHE 48 TALOS score = 10 Good" 183 1 183 35 parsed_2mkv 1
38 "!ARG 49 TALOS score = 10 Good" 188 1 188 35 parsed_2mkv 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mkv
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type PRE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "assign (resid 4 and name HN ) 6 3.0 3.0" 5 1 5 49 parsed_2mkv 2
2 "assign (resid 4 and name NE1) 6 3.0 3.0" 6 1 6 49 parsed_2mkv 2
3 "assign (resid 5 and name HN ) 6 3.0 3.0" 7 1 7 47 parsed_2mkv 2
4 "assign (resid 6 and name HN ) 6 3.0 3.0" 8 1 8 47 parsed_2mkv 2
5 "assign (resid 7 and name HN ) 6 3.0 3.0" 9 1 9 47 parsed_2mkv 2
6 "assign (resid 55 and name HN ) 40 3.0 3.0" 10 1 10 49 parsed_2mkv 2
7 "assign (resid 56 and name HN ) 40 3.0 3.0" 11 1 11 49 parsed_2mkv 2
8 "assign (resid 57 and name HN ) 40 3.0 3.0" 12 1 12 49 parsed_2mkv 2
stop_
save_
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