NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
585535 |
2mes   |
19238 | cing | 2-parsed | STAR | entry | full | 235 |
data_2mes_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mes
_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_2mes 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mes
_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 2mes "Master copy" parsed_2mes
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mes
_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 2mes.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 2 distance NOE simple 34 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2mes 1
1 2mes.mr . . HADDOCK 4 distance NOE ambi 0 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 12 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 7 distance "general distance" simple 64 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 78 parsed_2mes 1
1 2mes.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mes 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_2mes
_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 METAL BINDING PROTEIN 26-SEP-13 2MES
*TITLE BACKBONE 1H, 13C, 15N RESONANCE ASSIGNMENTS OF CALCIUM-BOUND
*TITLE 2 CALMODULIN IN COMPLEX WITH PSD95 N-TERMINAL PEPTIDE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CALMODULIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: CAM;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: DISKS LARGE HOMOLOG 4;
*COMPND 8 CHAIN: B;
*COMPND 9 FRAGMENT: UNP RESIDUES 1-71;
*COMPND 10 SYNONYM: POSTSYNAPTIC DENSITY PROTEIN 95, PSD-95, SYNAPSE-ASSOCIATED
*COMPND 11 PROTEIN 90, SAP-90, SAP90;
*COMPND 12 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;
*SOURCE 3 ORGANISM_COMMON: CLAWED FROG,COMMON PLATANNA,PLATANNA;
*SOURCE 4 ORGANISM_TAXID: 8355;
*SOURCE 5 GENE: CALM1, CALM2;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3A;
*SOURCE 10 MOL_ID: 2;
*SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 12 ORGANISM_COMMON: HUMAN;
*SOURCE 13 ORGANISM_TAXID: 9606;
*SOURCE 14 GENE: DLG4, PSD95;
*SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 16 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PET3A
*KEYWDS PROTEIN/PEPTIDE, METAL BINDING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR Y.ZHANG, J.B.AMES
*REVDAT 1 24-DEC-14 2MES 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mes
_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_2mes 1
2 1 . . . parsed_2mes 1
3 1 . . . parsed_2mes 1
4 1 . . . parsed_2mes 1
5 1 . . . parsed_2mes 1
6 1 . . . parsed_2mes 1
7 1 . . . parsed_2mes 1
8 1 . . . parsed_2mes 1
9 1 . . . parsed_2mes 1
10 1 . . . parsed_2mes 1
11 1 . . . parsed_2mes 1
12 1 . . . parsed_2mes 1
13 1 . . . parsed_2mes 1
14 1 . . . parsed_2mes 1
15 1 . . . parsed_2mes 1
16 1 . . . parsed_2mes 1
17 1 . . . parsed_2mes 1
18 1 . . . parsed_2mes 1
19 1 . . . parsed_2mes 1
20 1 . . . parsed_2mes 1
21 1 . . . parsed_2mes 1
22 1 . . . parsed_2mes 1
23 1 . . . parsed_2mes 1
24 1 . . . parsed_2mes 1
25 1 . . . parsed_2mes 1
26 1 . . . parsed_2mes 1
27 1 . . . parsed_2mes 1
28 1 . . . parsed_2mes 1
29 1 . . . parsed_2mes 1
30 1 . . . parsed_2mes 1
31 1 . . . parsed_2mes 1
32 1 . . . parsed_2mes 1
33 1 . . . parsed_2mes 1
34 1 . . . parsed_2mes 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 . . . . . . . . B 1 . HA parsed_2mes 1
1 1 2 . . . . . . . . B 4 . HB parsed_2mes 1
2 1 1 . . . . . . . . B 2 . HA parsed_2mes 1
2 1 2 . . . . . . . . B 5 . HB parsed_2mes 1
3 1 1 . . . . . . . . B 3 . HA parsed_2mes 1
3 1 2 . . . . . . . . B 6 . HB parsed_2mes 1
4 1 1 . . . . . . . . B 4 . HA parsed_2mes 1
4 1 2 . . . . . . . . B 7 . HB parsed_2mes 1
5 1 1 . . . . . . . . B 5 . HA parsed_2mes 1
5 1 2 . . . . . . . . B 8 . HB parsed_2mes 1
6 1 1 . . . . . . . . B 6 . HA parsed_2mes 1
6 1 2 . . . . . . . . B 9 . HB parsed_2mes 1
7 1 1 . . . . . . . . B 7 . HA parsed_2mes 1
7 1 2 . . . . . . . . B 10 . HB# parsed_2mes 1
8 1 1 . . . . . . . . B 8 . HA parsed_2mes 1
8 1 2 . . . . . . . . B 11 . HB# parsed_2mes 1
9 1 1 . . . . . . . . B 9 . HA parsed_2mes 1
9 1 2 . . . . . . . . B 12 . HB# parsed_2mes 1
10 1 1 . . . . . . . . B 10 . HA parsed_2mes 1
10 1 2 . . . . . . . . B 13 . HB# parsed_2mes 1
11 1 1 . . . . . . . . B 11 . HA parsed_2mes 1
11 1 2 . . . . . . . . B 14 . HB# parsed_2mes 1
12 1 1 . . . . . . . . B 12 . HA parsed_2mes 1
12 1 2 . . . . . . . . B 15 . HB# parsed_2mes 1
13 1 1 . . . . . . . . B 1 . O parsed_2mes 1
13 1 2 . . . . . . . . B 5 . N parsed_2mes 1
14 1 1 . . . . . . . . B 1 . O parsed_2mes 1
14 1 2 . . . . . . . . B 5 . HN parsed_2mes 1
15 1 1 . . . . . . . . B 2 . O parsed_2mes 1
15 1 2 . . . . . . . . B 6 . N parsed_2mes 1
16 1 1 . . . . . . . . B 2 . O parsed_2mes 1
16 1 2 . . . . . . . . B 6 . HN parsed_2mes 1
17 1 1 . . . . . . . . B 3 . O parsed_2mes 1
17 1 2 . . . . . . . . B 7 . N parsed_2mes 1
18 1 1 . . . . . . . . B 3 . O parsed_2mes 1
18 1 2 . . . . . . . . B 7 . HN parsed_2mes 1
19 1 1 . . . . . . . . B 4 . O parsed_2mes 1
19 1 2 . . . . . . . . B 8 . N parsed_2mes 1
20 1 1 . . . . . . . . B 4 . O parsed_2mes 1
20 1 2 . . . . . . . . B 8 . HN parsed_2mes 1
21 1 1 . . . . . . . . B 5 . O parsed_2mes 1
21 1 2 . . . . . . . . B 9 . N parsed_2mes 1
22 1 1 . . . . . . . . B 5 . O parsed_2mes 1
22 1 2 . . . . . . . . B 9 . HN parsed_2mes 1
23 1 1 . . . . . . . . B 6 . O parsed_2mes 1
23 1 2 . . . . . . . . B 10 . N parsed_2mes 1
24 1 1 . . . . . . . . B 6 . O parsed_2mes 1
24 1 2 . . . . . . . . B 10 . HN parsed_2mes 1
25 1 1 . . . . . . . . B 7 . O parsed_2mes 1
25 1 2 . . . . . . . . B 11 . N parsed_2mes 1
26 1 1 . . . . . . . . B 7 . O parsed_2mes 1
26 1 2 . . . . . . . . B 11 . HN parsed_2mes 1
27 1 1 . . . . . . . . B 8 . O parsed_2mes 1
27 1 2 . . . . . . . . B 12 . N parsed_2mes 1
28 1 1 . . . . . . . . B 8 . O parsed_2mes 1
28 1 2 . . . . . . . . B 12 . HN parsed_2mes 1
29 1 1 . . . . . . . . B 9 . O parsed_2mes 1
29 1 2 . . . . . . . . B 13 . N parsed_2mes 1
30 1 1 . . . . . . . . B 9 . O parsed_2mes 1
30 1 2 . . . . . . . . B 13 . HN parsed_2mes 1
31 1 1 . . . . . . . . B 10 . O parsed_2mes 1
31 1 2 . . . . . . . . B 14 . N parsed_2mes 1
32 1 1 . . . . . . . . B 10 . O parsed_2mes 1
32 1 2 . . . . . . . . B 14 . HN parsed_2mes 1
33 1 1 . . . . . . . . B 11 . O parsed_2mes 1
33 1 2 . . . . . . . . B 15 . N parsed_2mes 1
34 1 1 . . . . . . . . B 11 . O parsed_2mes 1
34 1 2 . . . . . . . . B 15 . HN parsed_2mes 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 . . . . . 0.0 0.0 2.5 parsed_2mes 1
2 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
3 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
4 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
5 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
6 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
7 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
8 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
9 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
10 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
11 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
12 1 . . . . . 0.0 0.0 2.5 parsed_2mes 1
13 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
14 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
15 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
16 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
17 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
18 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
19 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
20 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
21 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
22 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
23 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
24 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
25 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
26 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
27 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
28 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
29 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
30 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
31 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
32 1 . . . . . 0.0 0.0 2.3 parsed_2mes 1
33 1 . . . . . 0.0 0.0 3.3 parsed_2mes 1
34 1 . . . . . 0.0 0.0 2.3 parsed_2mes 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
;
!! segid A: Calmodulin
!! segid B: PSD95 (1-19)
!! intraNOEs
;
1 1 3 14 parsed_2mes 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mes
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 1 . C B 2 . N B 2 . CA B 2 . C parsed_2mes 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 2 . C B 3 . N B 3 . CA B 3 . C parsed_2mes 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 3 . C B 4 . N B 4 . CA B 4 . C parsed_2mes 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 4 . C B 5 . N B 5 . CA B 5 . C parsed_2mes 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 5 . C B 6 . N B 6 . CA B 6 . C parsed_2mes 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 6 . C B 7 . N B 7 . CA B 7 . C parsed_2mes 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 7 . C B 8 . N B 8 . CA B 8 . C parsed_2mes 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 8 . C B 9 . N B 9 . CA B 9 . C parsed_2mes 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 9 . C B 10 . N B 10 . CA B 10 . C parsed_2mes 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 10 . C B 11 . N B 11 . CA B 11 . C parsed_2mes 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 11 . C B 12 . N B 12 . CA B 12 . C parsed_2mes 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 12 . C B 13 . N B 13 . CA B 13 . C parsed_2mes 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 13 . C B 14 . N B 14 . CA B 14 . C parsed_2mes 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 14 . C B 15 . N B 15 . CA B 15 . C parsed_2mes 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . B 15 . C B 16 . N B 16 . CA B 16 . C parsed_2mes 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 1 . N B 1 . CA B 1 . C B 2 . N parsed_2mes 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 2 . N B 2 . CA B 2 . C B 3 . N parsed_2mes 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 3 . N B 3 . CA B 3 . C B 4 . N parsed_2mes 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 4 . N B 4 . CA B 4 . C B 5 . N parsed_2mes 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 5 . N B 5 . CA B 5 . C B 6 . N parsed_2mes 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 6 . N B 6 . CA B 6 . C B 7 . N parsed_2mes 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 7 . N B 7 . CA B 7 . C B 8 . N parsed_2mes 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 8 . N B 8 . CA B 8 . C B 9 . N parsed_2mes 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 9 . N B 9 . CA B 9 . C B 10 . N parsed_2mes 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 10 . N B 10 . CA B 10 . C B 11 . N parsed_2mes 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 11 . N B 11 . CA B 11 . C B 12 . N parsed_2mes 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 12 . N B 12 . CA B 12 . C B 13 . N parsed_2mes 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 13 . N B 13 . CA B 13 . C B 14 . N parsed_2mes 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 14 . N B 14 . CA B 14 . C B 15 . N parsed_2mes 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . B 15 . N B 15 . CA B 15 . C B 16 . N parsed_2mes 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 "!!***** PSD95 dihedral angle restraint:" 1 1 1 41 parsed_2mes 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mes
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2mes 2
2 1 . . . parsed_2mes 2
3 1 . . . parsed_2mes 2
4 1 . . . parsed_2mes 2
5 1 . . . parsed_2mes 2
6 1 . . . parsed_2mes 2
7 1 . . . parsed_2mes 2
8 1 . . . parsed_2mes 2
9 1 . . . parsed_2mes 2
10 1 . . . parsed_2mes 2
11 1 . . . parsed_2mes 2
12 1 . . . parsed_2mes 2
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 83 . O parsed_2mes 2
1 1 2 . . . . . . . . A 87 . N parsed_2mes 2
2 1 1 . . . . . . . . A 83 . O parsed_2mes 2
2 1 2 . . . . . . . . A 87 . HN parsed_2mes 2
3 1 1 . . . . . . . . A 84 . O parsed_2mes 2
3 1 2 . . . . . . . . A 88 . N parsed_2mes 2
4 1 1 . . . . . . . . A 84 . O parsed_2mes 2
4 1 2 . . . . . . . . A 88 . HN parsed_2mes 2
5 1 1 . . . . . . . . A 85 . O parsed_2mes 2
5 1 2 . . . . . . . . A 89 . N parsed_2mes 2
6 1 1 . . . . . . . . A 85 . O parsed_2mes 2
6 1 2 . . . . . . . . A 89 . HN parsed_2mes 2
7 1 1 . . . . . . . . A 86 . O parsed_2mes 2
7 1 2 . . . . . . . . A 90 . N parsed_2mes 2
8 1 1 . . . . . . . . A 86 . O parsed_2mes 2
8 1 2 . . . . . . . . A 90 . HN parsed_2mes 2
9 1 1 . . . . . . . . A 87 . O parsed_2mes 2
9 1 2 . . . . . . . . A 91 . N parsed_2mes 2
10 1 1 . . . . . . . . A 87 . O parsed_2mes 2
10 1 2 . . . . . . . . A 91 . HN parsed_2mes 2
11 1 1 . . . . . . . . A 88 . O parsed_2mes 2
11 1 2 . . . . . . . . A 92 . N parsed_2mes 2
12 1 1 . . . . . . . . A 88 . O parsed_2mes 2
12 1 2 . . . . . . . . A 92 . HN parsed_2mes 2
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 . . . . . 0.0 0.0 3.3 parsed_2mes 2
2 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
3 1 . . . . . 0.0 0.0 3.3 parsed_2mes 2
4 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
5 1 . . . . . 0.0 0.0 3.3 parsed_2mes 2
6 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
7 1 . . . . . 0.0 0.0 3.3 parsed_2mes 2
8 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
9 1 . . . . . 0.0 0.0 3.3 parsed_2mes 2
10 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
11 1 . . . . . 0.0 0.0 3.3 parsed_2mes 2
12 1 . . . . . 0.0 0.0 2.3 parsed_2mes 2
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
;
!!===================================================================================================
!!The second stage calculation
;
1 1 2 32 parsed_2mes 2
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mes
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 83 . C A 84 . N A 84 . CA A 84 . C parsed_2mes 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 84 . C A 85 . N A 85 . CA A 85 . C parsed_2mes 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 85 . C A 86 . N A 86 . CA A 86 . C parsed_2mes 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 86 . C A 87 . N A 87 . CA A 87 . C parsed_2mes 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 87 . C A 88 . N A 88 . CA A 88 . C parsed_2mes 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 88 . C A 89 . N A 89 . CA A 89 . C parsed_2mes 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 89 . C A 90 . N A 90 . CA A 90 . C parsed_2mes 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 90 . C A 91 . N A 91 . CA A 91 . C parsed_2mes 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 83 . N A 83 . CA A 83 . C A 84 . N parsed_2mes 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 84 . N A 84 . CA A 84 . C A 85 . N parsed_2mes 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 85 . N A 85 . CA A 85 . C A 86 . N parsed_2mes 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 86 . N A 86 . CA A 86 . C A 87 . N parsed_2mes 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 87 . N A 87 . CA A 87 . C A 88 . N parsed_2mes 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 88 . N A 88 . CA A 88 . C A 89 . N parsed_2mes 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 89 . N A 89 . CA A 89 . C A 90 . N parsed_2mes 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 90 . N A 90 . CA A 90 . C A 91 . N parsed_2mes 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 91 . N A 91 . CA A 91 . C A 92 . N parsed_2mes 2
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mes
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_2mes 3
2 1 . . . parsed_2mes 3
3 1 . . . parsed_2mes 3
4 1 . . . parsed_2mes 3
5 1 . . . parsed_2mes 3
6 1 . . . parsed_2mes 3
7 1 . . . parsed_2mes 3
8 1 . . . parsed_2mes 3
9 1 . . . parsed_2mes 3
10 1 . . . parsed_2mes 3
11 1 . . . parsed_2mes 3
12 1 . . . parsed_2mes 3
13 1 . . . parsed_2mes 3
14 1 . . . parsed_2mes 3
15 1 . . . parsed_2mes 3
16 1 . . . parsed_2mes 3
17 1 . . . parsed_2mes 3
18 1 . . . parsed_2mes 3
19 1 . . . parsed_2mes 3
20 1 . . . parsed_2mes 3
21 1 . . . parsed_2mes 3
22 1 . . . parsed_2mes 3
23 1 . . . parsed_2mes 3
24 1 . . . parsed_2mes 3
25 1 . . . parsed_2mes 3
26 1 . . . parsed_2mes 3
27 1 . . . parsed_2mes 3
28 1 . . . parsed_2mes 3
29 1 . . . parsed_2mes 3
30 1 . . . parsed_2mes 3
31 1 . . . parsed_2mes 3
32 1 . . . parsed_2mes 3
33 1 . . . parsed_2mes 3
34 1 . . . parsed_2mes 3
35 1 . . . parsed_2mes 3
36 1 . . . parsed_2mes 3
37 1 . . . parsed_2mes 3
38 1 . . . parsed_2mes 3
39 1 . . . parsed_2mes 3
40 1 . . . parsed_2mes 3
41 1 . . . parsed_2mes 3
42 1 . . . parsed_2mes 3
43 1 . . . parsed_2mes 3
44 1 . . . parsed_2mes 3
45 1 . . . parsed_2mes 3
46 1 . . . parsed_2mes 3
47 1 . . . parsed_2mes 3
48 1 . . . parsed_2mes 3
49 1 . . . parsed_2mes 3
50 1 . . . parsed_2mes 3
51 1 . . . parsed_2mes 3
52 1 . . . parsed_2mes 3
53 1 . . . parsed_2mes 3
54 1 . . . parsed_2mes 3
55 1 . . . parsed_2mes 3
56 1 . . . parsed_2mes 3
57 1 . . . parsed_2mes 3
58 1 . . . parsed_2mes 3
59 1 . . . parsed_2mes 3
60 1 . . . parsed_2mes 3
61 1 . . . parsed_2mes 3
62 1 . . . parsed_2mes 3
63 1 . . . parsed_2mes 3
64 1 . . . parsed_2mes 3
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 19 . HB# parsed_2mes 3
1 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
2 1 1 . . . . . . . . A 19 . CG parsed_2mes 3
2 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
3 1 1 . . . . . . . . A 19 . CD1 parsed_2mes 3
3 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
4 1 1 . . . . . . . . A 19 . CD2 parsed_2mes 3
4 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
5 1 1 . . . . . . . . A 19 . CE1 parsed_2mes 3
5 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
6 1 1 . . . . . . . . A 19 . CE2 parsed_2mes 3
6 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
7 1 1 . . . . . . . . A 27 . HD1# parsed_2mes 3
7 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
8 1 1 . . . . . . . . A 27 . HG2# parsed_2mes 3
8 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
9 1 1 . . . . . . . . A 27 . HG1# parsed_2mes 3
9 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
10 1 1 . . . . . . . . A 32 . HD# parsed_2mes 3
10 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
11 1 1 . . . . . . . . A 32 . HD# parsed_2mes 3
11 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
12 1 1 . . . . . . . . A 32 . HG parsed_2mes 3
12 1 2 . . . . . . . . B 3 . SG parsed_2mes 3
13 1 1 . . . . . . . . A 55 . HG2# parsed_2mes 3
13 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
14 1 1 . . . . . . . . A 63 . HD1# parsed_2mes 3
14 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
15 1 1 . . . . . . . . A 63 . HG2# parsed_2mes 3
15 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
16 1 1 . . . . . . . . A 63 . HG1# parsed_2mes 3
16 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
17 1 1 . . . . . . . . A 63 . HB parsed_2mes 3
17 1 2 . . . . . . . . B 3 . HG parsed_2mes 3
18 1 1 . . . . . . . . A 71 . SD parsed_2mes 3
18 1 2 . . . . . . . . B 4 . CD2 parsed_2mes 3
19 1 1 . . . . . . . . A 71 . CG parsed_2mes 3
19 1 2 . . . . . . . . B 4 . CD2 parsed_2mes 3
20 1 1 . . . . . . . . A 71 . CG parsed_2mes 3
20 1 2 . . . . . . . . B 4 . CG parsed_2mes 3
21 1 1 . . . . . . . . A 19 . CZ parsed_2mes 3
21 1 2 . . . . . . . . B 5 . HG parsed_2mes 3
22 1 1 . . . . . . . . A 87 . HG# parsed_2mes 3
22 1 2 . . . . . . . . B 5 . HB# parsed_2mes 3
23 1 1 . . . . . . . . A 91 . CG1 parsed_2mes 3
23 1 2 . . . . . . . . B 5 . SG parsed_2mes 3
24 1 1 . . . . . . . . A 91 . CG2 parsed_2mes 3
24 1 2 . . . . . . . . B 5 . SG parsed_2mes 3
25 1 1 . . . . . . . . A 91 . CB parsed_2mes 3
25 1 2 . . . . . . . . B 5 . SG parsed_2mes 3
26 1 1 . . . . . . . . A 91 . HG2# parsed_2mes 3
26 1 2 . . . . . . . . B 5 . HB# parsed_2mes 3
27 1 1 . . . . . . . . A 15 . HB# parsed_2mes 3
27 1 2 . . . . . . . . B 6 . HG2# parsed_2mes 3
28 1 1 . . . . . . . . A 15 . HB# parsed_2mes 3
28 1 2 . . . . . . . . B 6 . HD1# parsed_2mes 3
29 1 1 . . . . . . . . A 18 . HD2# parsed_2mes 3
29 1 2 . . . . . . . . B 6 . HD1# parsed_2mes 3
30 1 1 . . . . . . . . A 19 . CE1 parsed_2mes 3
30 1 2 . . . . . . . . B 6 . HD1# parsed_2mes 3
31 1 1 . . . . . . . . A 19 . CZ parsed_2mes 3
31 1 2 . . . . . . . . B 6 . HD1# parsed_2mes 3
32 1 1 . . . . . . . . A 19 . CZ parsed_2mes 3
32 1 2 . . . . . . . . B 6 . HG1# parsed_2mes 3
33 1 1 . . . . . . . . A 112 . HD2# parsed_2mes 3
33 1 2 . . . . . . . . B 6 . HD1# parsed_2mes 3
34 1 1 . . . . . . . . A 112 . HD2# parsed_2mes 3
34 1 2 . . . . . . . . B 6 . HG1# parsed_2mes 3
35 1 1 . . . . . . . . A 71 . HE# parsed_2mes 3
35 1 2 . . . . . . . . B 7 . HG2# parsed_2mes 3
36 1 1 . . . . . . . . A 72 . HG# parsed_2mes 3
36 1 2 . . . . . . . . B 7 . HG1# parsed_2mes 3
37 1 1 . . . . . . . . A 72 . SD parsed_2mes 3
37 1 2 . . . . . . . . B 7 . HG1# parsed_2mes 3
38 1 1 . . . . . . . . A 75 . HB# parsed_2mes 3
38 1 2 . . . . . . . . B 7 . HG1# parsed_2mes 3
39 1 1 . . . . . . . . A 75 . HB# parsed_2mes 3
39 1 2 . . . . . . . . B 7 . HB parsed_2mes 3
40 1 1 . . . . . . . . A 79 . HG2# parsed_2mes 3
40 1 2 . . . . . . . . B 8 . HG2# parsed_2mes 3
41 1 1 . . . . . . . . A 88 . HB# parsed_2mes 3
41 1 2 . . . . . . . . B 8 . HG2# parsed_2mes 3
42 1 1 . . . . . . . . A 88 . HB# parsed_2mes 3
42 1 2 . . . . . . . . B 8 . HB parsed_2mes 3
43 1 1 . . . . . . . . A 145 . SD parsed_2mes 3
43 1 2 . . . . . . . . B 8 . HG2# parsed_2mes 3
44 1 1 . . . . . . . . A 92 . HZ parsed_2mes 3
44 1 2 . . . . . . . . B 9 . HG2# parsed_2mes 3
45 1 1 . . . . . . . . A 92 . HE1 parsed_2mes 3
45 1 2 . . . . . . . . B 9 . HG2# parsed_2mes 3
46 1 1 . . . . . . . . A 109 . HE# parsed_2mes 3
46 1 2 . . . . . . . . B 9 . HG2# parsed_2mes 3
47 1 1 . . . . . . . . A 11 . CD parsed_2mes 3
47 1 2 . . . . . . . . B 10 . CE parsed_2mes 3
48 1 1 . . . . . . . . A 79 . HG2# parsed_2mes 3
48 1 2 . . . . . . . . B 11 . HG# parsed_2mes 3
49 1 1 . . . . . . . . A 79 . HG2# parsed_2mes 3
49 1 2 . . . . . . . . B 11 . HD# parsed_2mes 3
50 1 1 . . . . . . . . A 124 . CG parsed_2mes 3
50 1 2 . . . . . . . . B 12 . HH parsed_2mes 3
51 1 1 . . . . . . . . A 124 . CE parsed_2mes 3
51 1 2 . . . . . . . . B 12 . CE1 parsed_2mes 3
52 1 1 . . . . . . . . A 124 . CE parsed_2mes 3
52 1 2 . . . . . . . . B 12 . CD1 parsed_2mes 3
53 1 1 . . . . . . . . A 127 . CD parsed_2mes 3
53 1 2 . . . . . . . . B 12 . CE1 parsed_2mes 3
54 1 1 . . . . . . . . A 127 . CD parsed_2mes 3
54 1 2 . . . . . . . . B 12 . CZ parsed_2mes 3
55 1 1 . . . . . . . . A 127 . CG parsed_2mes 3
55 1 2 . . . . . . . . B 12 . HH parsed_2mes 3
56 1 1 . . . . . . . . A 136 . HG# parsed_2mes 3
56 1 2 . . . . . . . . B 12 . OH parsed_2mes 3
57 1 1 . . . . . . . . A 141 . CE2 parsed_2mes 3
57 1 2 . . . . . . . . B 12 . CD2 parsed_2mes 3
58 1 1 . . . . . . . . A 141 . CD2 parsed_2mes 3
58 1 2 . . . . . . . . B 12 . CD2 parsed_2mes 3
59 1 1 . . . . . . . . A 141 . CD2 parsed_2mes 3
59 1 2 . . . . . . . . B 12 . CE2 parsed_2mes 3
60 1 1 . . . . . . . . A 141 . CE2 parsed_2mes 3
60 1 2 . . . . . . . . B 12 . CE2 parsed_2mes 3
61 1 1 . . . . . . . . A 144 . CE parsed_2mes 3
61 1 2 . . . . . . . . B 12 . CE2 parsed_2mes 3
62 1 1 . . . . . . . . A 144 . CE parsed_2mes 3
62 1 2 . . . . . . . . B 12 . CD2 parsed_2mes 3
63 1 1 . . . . . . . . A 124 . HE# parsed_2mes 3
63 1 2 . . . . . . . . B 13 . HG# parsed_2mes 3
64 1 1 . . . . . . . . A 124 . SD parsed_2mes 3
64 1 2 . . . . . . . . B 13 . HG# parsed_2mes 3
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 . . . . . 2.0 0.0 2.0 parsed_2mes 3
2 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
3 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
4 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
5 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
6 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
7 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
8 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
9 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
10 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
11 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
12 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
13 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
14 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
15 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
16 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
17 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
18 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
19 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
20 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
21 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
22 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
23 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
24 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
25 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
26 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
27 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
28 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
29 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
30 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
31 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
32 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
33 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
34 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
35 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
36 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
37 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
38 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
39 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
40 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
41 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
42 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
43 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
44 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
45 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
46 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
47 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
48 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
49 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
50 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
51 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
52 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
53 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
54 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
55 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
56 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
57 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
58 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
59 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
60 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
61 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
62 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
63 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
64 1 . . . . . 2.0 0.0 2.0 parsed_2mes 3
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
;
!!! Flexible region
!!! CaM: 39-44, 75-81, 113-117
!!! PSD95: 1-19
!! F19(CaM) - C3(PSD)
;
1 1 4 24 parsed_2mes 3
2 "!! I27(CaM) - C3(PSD)" 11 1 11 24 parsed_2mes 3
3 "!! L32(CaM) - C3(PSD)" 15 1 15 24 parsed_2mes 3
4 "!! V55(CaM) - C3(PSD)" 19 1 19 24 parsed_2mes 3
5 "!! I63(CaM) - C3(PSD)" 21 1 21 24 parsed_2mes 3
6 "!! M71(CaM) - L4(PSD)" 26 1 26 24 parsed_2mes 3
7 "!! F19(CaM) - C5(PSD)" 30 1 30 24 parsed_2mes 3
8 "!! E87(CaM) - C5(PSD)" 32 1 32 24 parsed_2mes 3
9 "!! V91(CaM) - C5(PSD)" 34 1 34 24 parsed_2mes 3
10 "!! A15(CaM) - I6(PSD)" 39 1 39 24 parsed_2mes 3
11 "!! L18(CaM) - I6(PSD)" 42 1 42 24 parsed_2mes 3
12 "!! F19(CaM) - I6(PSD)" 44 1 44 24 parsed_2mes 3
13 "!! L112(CaM) - I6(PSD)" 48 1 48 25 parsed_2mes 3
14 "!! M71(CaM) - V7(PSD)" 51 1 51 24 parsed_2mes 3
15 "!! M72(CaM) - V7(PSD)" 53 1 53 23 parsed_2mes 3
16 "!! K75(CaM) - V7(PSD)" 56 1 56 24 parsed_2mes 3
17 "!! T79(CaM) - T8(PSD)" 59 1 59 24 parsed_2mes 3
18 "!! A88(CaM) - T8(PSD)" 61 1 61 24 parsed_2mes 3
19 "!! M145(CaM) - T8(PSD)" 64 1 64 25 parsed_2mes 3
20 "!! F92(CaM) - T9(PSD)" 66 1 66 23 parsed_2mes 3
21 "!! M109(CaM) - T9(PSD)" 69 1 69 24 parsed_2mes 3
22 "!! E11(CaM) - K10(PSD)" 71 1 71 24 parsed_2mes 3
23 "!! T79(CaM) - K11(PSD)" 73 1 73 24 parsed_2mes 3
24 "!! M124(CaM) - Y12(PSD)" 76 1 76 25 parsed_2mes 3
25 "!! E127(CaM) - Y12(PSD)" 80 1 80 25 parsed_2mes 3
26 "!! V136(CaM) - Y12(PSD)" 84 1 84 25 parsed_2mes 3
27 "!! M141(CaM) - Y12(PSD)" 86 1 86 25 parsed_2mes 3
28 "!! M144(CaM) - Y12(PSD)" 91 1 91 25 parsed_2mes 3
29 "!! M124(CaM) - R13(PSD)" 94 1 94 25 parsed_2mes 3
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mes
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 16.044 . . . . A 6 . N A 6 . HN parsed_2mes 1
2 . . . . . . . . . . . . . . . . 16.419 . . . . A 7 . N A 7 . HN parsed_2mes 1
3 . . . . . . . . . . . . . . . . 23.277 . . . . A 8 . N A 8 . HN parsed_2mes 1
4 . . . . . . . . . . . . . . . . 21.667 . . . . A 9 . N A 9 . HN parsed_2mes 1
5 . . . . . . . . . . . . . . . . 13.123 . . . . A 10 . N A 10 . HN parsed_2mes 1
6 . . . . . . . . . . . . . . . . 19.03 . . . . A 11 . N A 11 . HN parsed_2mes 1
7 . . . . . . . . . . . . . . . . 22.995 . . . . A 12 . N A 12 . HN parsed_2mes 1
8 . . . . . . . . . . . . . . . . 12.807 . . . . A 13 . N A 13 . HN parsed_2mes 1
9 . . . . . . . . . . . . . . . . 10.808 . . . . A 14 . N A 14 . HN parsed_2mes 1
10 . . . . . . . . . . . . . . . . 20.324 . . . . A 15 . N A 15 . HN parsed_2mes 1
11 . . . . . . . . . . . . . . . . 18.711 . . . . A 16 . N A 16 . HN parsed_2mes 1
12 . . . . . . . . . . . . . . . . 6.755 . . . . A 17 . N A 17 . HN parsed_2mes 1
13 . . . . . . . . . . . . . . . . 17.246 . . . . A 18 . N A 18 . HN parsed_2mes 1
14 . . . . . . . . . . . . . . . . 20.876 . . . . A 19 . N A 19 . HN parsed_2mes 1
15 . . . . . . . . . . . . . . . . -11.909 . . . . A 29 . N A 29 . HN parsed_2mes 1
16 . . . . . . . . . . . . . . . . -10.747 . . . . A 30 . N A 30 . HN parsed_2mes 1
17 . . . . . . . . . . . . . . . . -0.317 . . . . A 31 . N A 31 . HN parsed_2mes 1
18 . . . . . . . . . . . . . . . . -11.273 . . . . A 32 . N A 32 . HN parsed_2mes 1
19 . . . . . . . . . . . . . . . . -14.061 . . . . A 33 . N A 33 . HN parsed_2mes 1
20 . . . . . . . . . . . . . . . . -6.485 . . . . A 34 . N A 34 . HN parsed_2mes 1
21 . . . . . . . . . . . . . . . . -3.261 . . . . A 35 . N A 35 . HN parsed_2mes 1
22 . . . . . . . . . . . . . . . . -12.237 . . . . A 36 . N A 36 . HN parsed_2mes 1
23 . . . . . . . . . . . . . . . . 1.018 . . . . A 37 . N A 37 . HN parsed_2mes 1
24 . . . . . . . . . . . . . . . . -1.865 . . . . A 38 . N A 38 . HN parsed_2mes 1
25 . . . . . . . . . . . . . . . . 19.836 . . . . A 45 . N A 45 . HN parsed_2mes 1
26 . . . . . . . . . . . . . . . . 12.307 . . . . A 46 . N A 46 . HN parsed_2mes 1
27 . . . . . . . . . . . . . . . . 22.923 . . . . A 47 . N A 47 . HN parsed_2mes 1
28 . . . . . . . . . . . . . . . . 17.309 . . . . A 48 . N A 48 . HN parsed_2mes 1
29 . . . . . . . . . . . . . . . . 4.612 . . . . A 49 . N A 49 . HN parsed_2mes 1
30 . . . . . . . . . . . . . . . . 19.894 . . . . A 50 . N A 50 . HN parsed_2mes 1
31 . . . . . . . . . . . . . . . . 25.317 . . . . A 51 . N A 51 . HN parsed_2mes 1
32 . . . . . . . . . . . . . . . . 19.113 . . . . A 52 . N A 52 . HN parsed_2mes 1
33 . . . . . . . . . . . . . . . . 17.47 . . . . A 53 . N A 53 . HN parsed_2mes 1
34 . . . . . . . . . . . . . . . . 16.26 . . . . A 54 . N A 54 . HN parsed_2mes 1
35 . . . . . . . . . . . . . . . . -7.626 . . . . A 65 . N A 65 . HN parsed_2mes 1
36 . . . . . . . . . . . . . . . . 8.085 . . . . A 67 . N A 67 . HN parsed_2mes 1
37 . . . . . . . . . . . . . . . . -9.392 . . . . A 68 . N A 68 . HN parsed_2mes 1
38 . . . . . . . . . . . . . . . . -4.917 . . . . A 71 . N A 71 . HN parsed_2mes 1
39 . . . . . . . . . . . . . . . . -11.925 . . . . A 72 . N A 72 . HN parsed_2mes 1
40 . . . . . . . . . . . . . . . . -12.331 . . . . A 73 . N A 73 . HN parsed_2mes 1
41 . . . . . . . . . . . . . . . . -0.986 . . . . A 74 . N A 74 . HN parsed_2mes 1
42 . . . . . . . . . . . . . . . . 11.332 . . . . A 84 . N A 84 . HN parsed_2mes 1
43 . . . . . . . . . . . . . . . . 6.949 . . . . A 85 . N A 85 . HN parsed_2mes 1
44 . . . . . . . . . . . . . . . . -2.47 . . . . A 86 . N A 86 . HN parsed_2mes 1
45 . . . . . . . . . . . . . . . . 7.227 . . . . A 87 . N A 87 . HN parsed_2mes 1
46 . . . . . . . . . . . . . . . . 18.761 . . . . A 88 . N A 88 . HN parsed_2mes 1
47 . . . . . . . . . . . . . . . . -8.674 . . . . A 89 . N A 89 . HN parsed_2mes 1
48 . . . . . . . . . . . . . . . . 18.524 . . . . A 91 . N A 91 . HN parsed_2mes 1
49 . . . . . . . . . . . . . . . . 9.847 . . . . A 92 . N A 92 . HN parsed_2mes 1
50 . . . . . . . . . . . . . . . . -8.853 . . . . A 102 . N A 102 . HN parsed_2mes 1
51 . . . . . . . . . . . . . . . . 13.632 . . . . A 103 . N A 103 . HN parsed_2mes 1
52 . . . . . . . . . . . . . . . . 1.634 . . . . A 104 . N A 104 . HN parsed_2mes 1
53 . . . . . . . . . . . . . . . . -8.986 . . . . A 105 . N A 105 . HN parsed_2mes 1
54 . . . . . . . . . . . . . . . . -4.533 . . . . A 106 . N A 106 . HN parsed_2mes 1
55 . . . . . . . . . . . . . . . . -2.402 . . . . A 107 . N A 107 . HN parsed_2mes 1
56 . . . . . . . . . . . . . . . . -0.16 . . . . A 108 . N A 108 . HN parsed_2mes 1
57 . . . . . . . . . . . . . . . . -7.937 . . . . A 109 . N A 109 . HN parsed_2mes 1
58 . . . . . . . . . . . . . . . . -1.698 . . . . A 110 . N A 110 . HN parsed_2mes 1
59 . . . . . . . . . . . . . . . . 1.158 . . . . A 111 . N A 111 . HN parsed_2mes 1
60 . . . . . . . . . . . . . . . . -5.565 . . . . A 112 . N A 112 . HN parsed_2mes 1
61 . . . . . . . . . . . . . . . . 7.069 . . . . A 118 . N A 118 . HN parsed_2mes 1
62 . . . . . . . . . . . . . . . . 2.919 . . . . A 119 . N A 119 . HN parsed_2mes 1
63 . . . . . . . . . . . . . . . . 15.083 . . . . A 120 . N A 120 . HN parsed_2mes 1
64 . . . . . . . . . . . . . . . . 11.495 . . . . A 121 . N A 121 . HN parsed_2mes 1
65 . . . . . . . . . . . . . . . . 2.788 . . . . A 122 . N A 122 . HN parsed_2mes 1
66 . . . . . . . . . . . . . . . . 7.727 . . . . A 123 . N A 123 . HN parsed_2mes 1
67 . . . . . . . . . . . . . . . . 15.713 . . . . A 124 . N A 124 . HN parsed_2mes 1
68 . . . . . . . . . . . . . . . . 8.176 . . . . A 125 . N A 125 . HN parsed_2mes 1
69 . . . . . . . . . . . . . . . . 11.828 . . . . A 127 . N A 127 . HN parsed_2mes 1
70 . . . . . . . . . . . . . . . . 15.841 . . . . A 128 . N A 128 . HN parsed_2mes 1
71 . . . . . . . . . . . . . . . . 5.511 . . . . A 138 . N A 138 . HN parsed_2mes 1
72 . . . . . . . . . . . . . . . . 2.853 . . . . A 139 . N A 139 . HN parsed_2mes 1
73 . . . . . . . . . . . . . . . . 13.369 . . . . A 140 . N A 140 . HN parsed_2mes 1
74 . . . . . . . . . . . . . . . . 6.485 . . . . A 141 . N A 141 . HN parsed_2mes 1
75 . . . . . . . . . . . . . . . . 3.397 . . . . A 142 . N A 142 . HN parsed_2mes 1
76 . . . . . . . . . . . . . . . . 4.485 . . . . A 143 . N A 143 . HN parsed_2mes 1
77 . . . . . . . . . . . . . . . . 8.971 . . . . A 144 . N A 144 . HN parsed_2mes 1
78 . . . . . . . . . . . . . . . . 0.932 . . . . A 145 . N A 145 . HN parsed_2mes 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
;
!! Dipolar couplings measured in ~17mg/ml Pf1 at 20mM Tris-d11, 50mM NaCl,
!! 1mM CaCl2, DTT-d, pH 7.0. The quadrapolar splitting of the liquid crystal
!! is 19.06 Hz
!! NH Couplings
;
1 1 4 17 parsed_2mes 1
stop_
save_
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