NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
592658 |
2n2m   |
25281 | cing | 2-parsed | STAR | entry | full | 475 |
data_2n2m_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n2m
_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_2n2m 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n2m
_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 2n2m "Master copy" parsed_2n2m
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n2m
_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 2n2m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 240 parsed_2n2m 1
1 2n2m.mr . . "MR format" 3 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_2n2m 1
1 2n2m.mr . . "MR format" 5 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 6 distance NOE simple 14 parsed_2n2m 1
1 2n2m.mr . . "MR format" 7 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 8 distance NOE simple 19 parsed_2n2m 1
1 2n2m.mr . . "MR format" 9 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 10 distance NOE simple 15 parsed_2n2m 1
1 2n2m.mr . . "MR format" 11 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 12 distance NOE simple 22 parsed_2n2m 1
1 2n2m.mr . . "MR format" 13 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 14 distance NOE simple 30 parsed_2n2m 1
1 2n2m.mr . . "MR format" 15 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 16 distance NOE simple 18 parsed_2n2m 1
1 2n2m.mr . . "MR format" 17 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 18 distance NOE simple 15 parsed_2n2m 1
1 2n2m.mr . . "MR format" 19 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 20 distance NOE simple 13 parsed_2n2m 1
1 2n2m.mr . . "MR format" 21 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 22 distance "hydrogen bond" simple 8 parsed_2n2m 1
1 2n2m.mr . . "MR format" 23 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 24 distance "hydrogen bond" simple 9 parsed_2n2m 1
1 2n2m.mr . . "MR format" 25 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 26 distance "hydrogen bond" simple 10 parsed_2n2m 1
1 2n2m.mr . . "MR format" 27 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 28 distance "hydrogen bond" simple 12 parsed_2n2m 1
1 2n2m.mr . . "MR format" 29 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 30 distance "hydrogen bond" simple 11 parsed_2n2m 1
1 2n2m.mr . . "MR format" 31 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 32 distance "hydrogen bond" simple 8 parsed_2n2m 1
1 2n2m.mr . . "MR format" 33 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 34 distance "hydrogen bond" simple 10 parsed_2n2m 1
1 2n2m.mr . . "MR format" 35 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1
1 2n2m.mr . . XPLOR/CNS 36 distance "hydrogen bond" simple 9 parsed_2n2m 1
1 2n2m.mr . . "MR format" 37 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n2m 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_2n2m
_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 MEMBRANE PROTEIN 10-MAY-15 2N2M
*TITLE NMR STRUCTURE OF YERSINIA PESTIS AIL (ATTACHMENT INVASION LOCUS) IN
*TITLE 2 DECYLPHOSPHOCHOLINE MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN X;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS;
*SOURCE 3 ORGANISM_TAXID: 632;
*SOURCE 4 GENE: OMPX, Y1324;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET
*KEYWDS MEMBRANE PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR F.M.MARASSI, Y.DING, Y.YAO
*REVDAT 1 22-JUL-15 2N2M 0
! REMARK error margins are set to conservative default values of double the standard deviation
! observed in TALOS-N, capped at a minimum of +/-20 degree.
! REMARK Phi/Psi Angles From 'Strong' Predictions
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n2m
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n2m 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 161.4 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2n2m 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.8 -81.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2n2m 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.5 166.5 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2n2m 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.3 -69.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2n2m 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 159.1 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2n2m 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.1 -68.5 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2n2m 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 145.5 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2n2m 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.5 -99.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n2m 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.7 179.5 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n2m 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.7 -110.3 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n2m 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 170.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n2m 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.7 -74.9 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2n2m 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.4 185.4 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2n2m 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -83.8 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2n2m 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2n2m 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -93.7 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2n2m 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 171.5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2n2m 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.6 -96.4 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2n2m 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 151.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2n2m 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.1 -56.1 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2n2m 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.7 166.5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2n2m 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -69.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n2m 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.5 171.1 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n2m 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.0 -89.2 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n2m 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 148.4 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n2m 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.7 -58.5 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n2m 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 156.4 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n2m 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -95.9 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n2m 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 185.3 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n2m 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n2m 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -10.9 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n2m 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.4 -71.4 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n2m 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.9 28.1 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n2m 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.3 90.3 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n2m 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 35.6 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n2m 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.3 -58.7 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n2m 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.3 156.7 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n2m 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n2m 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.1 158.1 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n2m 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.7 -93.1 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2n2m 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.5 179.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2n2m 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -108.7 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n2m 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 172.8 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n2m 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.6 -107.6 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2n2m 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 163.8 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2n2m 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -91.8 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2n2m 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 152.4 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2n2m 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.3 -97.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2n2m 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.5 163.3 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2n2m 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -92.4 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2n2m 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 152.2 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2n2m 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.9 -91.9 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2n2m 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 151.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2n2m 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.6 -90.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2n2m 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.3 159.5 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2n2m 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.9 -100.9 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2n2m 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 174.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2n2m 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.5 -49.3 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2n2m 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.1 192.5 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2n2m 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.4 -100.2 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2n2m 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.7 161.7 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2n2m 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -100.6 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2n2m 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 157.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2n2m 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -80.8 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2n2m 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 148.4 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2n2m 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -95.8 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2n2m 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.8 148.8 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2n2m 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -92.6 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2n2m 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.3 155.3 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2n2m 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.7 -71.3 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2n2m 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 159.2 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2n2m 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.8 -92.8 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2n2m 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.5 178.7 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2n2m 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.6 -50.2 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2n2m 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.8 180.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2n2m 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2n2m 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.4 160.6 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2n2m 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.8 -58.4 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2n2m 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.3 162.1 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2n2m 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.7 -59.9 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2n2m 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.4 172.8 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2n2m 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2n2m 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 154.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2n2m 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.8 -80.4 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2n2m 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.1 175.9 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2n2m 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.7 -89.7 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2n2m 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.1 160.5 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2n2m 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.9 105.9 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2n2m 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.9 17.9 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2n2m 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.7 80.7 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2n2m 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.2 54.2 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2n2m 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.8 -72.8 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2n2m 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 163.7 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2n2m 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.1 -84.1 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2n2m 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 157.2 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2n2m 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.2 -86.4 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2n2m 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 151.1 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2n2m 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.6 -104.6 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2n2m 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 169.7 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2n2m 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.7 -87.3 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2n2m 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.5 164.5 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2n2m 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -91.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2n2m 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.2 157.6 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2n2m 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.6 -104.6 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2n2m 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.8 178.8 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2n2m 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -49.4 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2n2m 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.5 167.5 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2n2m 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -83.6 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2n2m 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 147.2 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2n2m 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.7 -83.3 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2n2m 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 148.5 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2n2m 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.8 -58.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2n2m 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 136.8 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2n2m 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -47.9 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2n2m 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 -7.8 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2n2m 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.9 -93.1 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2n2m 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2n2m 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.4 -62.2 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2n2m 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 152.3 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2n2m 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.6 -99.4 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2n2m 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 158.9 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2n2m 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -113.2 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2n2m 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.6 173.4 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2n2m 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.7 -88.1 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2n2m 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.4 178.4 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2n2m 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.1 -99.1 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2n2m 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.2 159.8 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2n2m 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -105.2 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2n2m 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 161.9 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2n2m 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -96.9 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2n2m 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 157.2 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2n2m 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -85.6 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2n2m 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 172.6 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2n2m 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -104.8 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2n2m 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 162.7 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2n2m 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -96.1 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2n2m 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 176.4 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2n2m 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.1 -90.9 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2n2m 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 158.7 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2n2m 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.3 -103.3 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2n2m 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 153.0 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2n2m 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.2 -86.2 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2n2m 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 148.5 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2n2m 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.1 -95.1 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2n2m 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 163.3 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2n2m 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.1 -87.7 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2n2m 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.1 164.5 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2n2m 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -114.7 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2n2m 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.5 174.5 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2n2m 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.8 -100.4 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2n2m 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 155.3 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2n2m 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -106.6 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2n2m 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.7 173.7 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2n2m 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.4 -64.8 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2n2m 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 173.9 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2n2m 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.3 -110.1 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2n2m 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.1 167.1 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2n2m 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.4 -125.8 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_2n2m 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.1 173.1 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_2n2m 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -112.2 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2n2m 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.1 172.1 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2n2m 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.5 -127.5 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2n2m 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.1 169.1 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2n2m 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.2 -101.6 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2n2m 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.5 169.3 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2n2m 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -105.9 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2n2m 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.5 162.5 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2n2m 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.1 -79.5 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2n2m 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 148.5 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2n2m 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -102.7 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2n2m 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.4 177.6 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2n2m 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -59.5 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2n2m 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 152.4 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2n2m 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.1 -81.1 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2n2m 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.4 163.2 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2n2m 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.1 -96.1 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2n2m 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 176.6 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2n2m 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -109.5 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2n2m 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.2 179.2 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2n2m 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.3 -93.1 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2n2m 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.8 150.8 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2n2m 1
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.6 -92.8 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2n2m 1
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 155.1 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2n2m 1
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.5 -61.1 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2n2m 1
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.6 157.4 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2n2m 1
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -105.8 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2n2m 1
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 188.8 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2n2m 1
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.3 -36.3 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2n2m 1
190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -7.0 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_2n2m 1
191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -83.1 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2n2m 1
192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.8 33.2 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_2n2m 1
193 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -102.1 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2n2m 1
194 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.8 172.4 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2n2m 1
195 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.7 -90.1 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2n2m 1
196 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.2 151.2 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2n2m 1
197 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -90.1 . . 130 . C . 131 . N . 131 . CA . 131 . C parsed_2n2m 1
198 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.1 147.1 . . 131 . N . 131 . CA . 131 . C . 132 . N parsed_2n2m 1
199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -105.4 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2n2m 1
200 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.2 159.8 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2n2m 1
201 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -87.1 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2n2m 1
202 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 166.2 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2n2m 1
203 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -106.1 . . 133 . C . 134 . N . 134 . CA . 134 . C parsed_2n2m 1
204 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.7 173.5 . . 134 . N . 134 . CA . 134 . C . 135 . N parsed_2n2m 1
205 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.4 -109.4 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_2n2m 1
206 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 163.2 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_2n2m 1
207 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.1 -103.1 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_2n2m 1
208 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_2n2m 1
209 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.5 -103.5 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_2n2m 1
210 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.6 169.4 . . 137 . N . 137 . CA . 137 . C . 138 . N parsed_2n2m 1
211 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.7 -89.1 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_2n2m 1
212 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 159.3 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_2n2m 1
213 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -63.0 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2n2m 1
214 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 148.1 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2n2m 1
215 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.5 -62.7 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2n2m 1
216 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.9 153.7 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2n2m 1
217 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2n2m 1
218 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.3 -2.3 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_2n2m 1
219 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.9 -62.9 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_2n2m 1
220 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.2 11.6 . . 142 . N . 142 . CA . 142 . C . 143 . N parsed_2n2m 1
221 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.5 -50.7 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_2n2m 1
222 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 153.0 . . 143 . N . 143 . CA . 143 . C . 144 . N parsed_2n2m 1
223 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.9 -58.7 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_2n2m 1
224 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 149.4 . . 144 . N . 144 . CA . 144 . C . 145 . N parsed_2n2m 1
225 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.4 -77.4 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_2n2m 1
226 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.4 157.4 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_2n2m 1
227 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.6 -95.0 . . 147 . C . 148 . N . 148 . CA . 148 . C parsed_2n2m 1
228 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.2 161.2 . . 148 . N . 148 . CA . 148 . C . 149 . N parsed_2n2m 1
229 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -90.5 . . 148 . C . 149 . N . 149 . CA . 149 . C parsed_2n2m 1
230 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.7 148.7 . . 149 . N . 149 . CA . 149 . C . 150 . N parsed_2n2m 1
231 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.6 -98.2 . . 149 . C . 150 . N . 150 . CA . 150 . C parsed_2n2m 1
232 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 157.8 . . 150 . N . 150 . CA . 150 . C . 151 . N parsed_2n2m 1
233 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.9 -100.3 . . 150 . C . 151 . N . 151 . CA . 151 . C parsed_2n2m 1
234 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 219.4 . . 151 . N . 151 . CA . 151 . C . 152 . N parsed_2n2m 1
235 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -115.2 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_2n2m 1
236 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.9 176.9 . . 152 . N . 152 . CA . 152 . C . 153 . N parsed_2n2m 1
237 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -109.9 . . 153 . C . 154 . N . 154 . CA . 154 . C parsed_2n2m 1
238 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.9 170.7 . . 154 . N . 154 . CA . 154 . C . 155 . N parsed_2n2m 1
239 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.5 -76.5 . . 154 . C . 155 . N . 155 . CA . 155 . C parsed_2n2m 1
240 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 147.4 . . 155 . N . 155 . CA . 155 . C . 156 . N parsed_2n2m 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "! REMARK Phi/Psi Angles From 'Generous' Predictions "
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n2m
_Torsion_angle_constraint_list.ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.2 -50.2 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n2m 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n2m 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.4 -38.2 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2n2m 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.3 3.3 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2n2m 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.6 113.8 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2n2m 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.3 13.3 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2n2m 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.4 -49.4 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2n2m 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.3 182.7 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2n2m 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.7 -62.3 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_2n2m 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 175.4 . . 146 . N . 146 . CA . 146 . C . 147 . N parsed_2n2m 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -97.0 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_2n2m 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.9 147.9 . . 147 . N . 147 . CA . 147 . C . 148 . N parsed_2n2m 2
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
!! NOEs for Y. pestis Ail
!! NOE distances obtained from CYANA
!! numbers specify: NOE, loNOE (NOE-1.8,vdw), hiNOE (NOE+45%)
!! short 2.5 0.7 1.1
!! medium 3.0 1.2 1.4
!! long 4.0 2.2 1.8
! beta 1 and 2
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2n2m 1
2 1 . . . parsed_2n2m 1
3 1 . . . parsed_2n2m 1
4 1 . . . parsed_2n2m 1
5 1 . . . parsed_2n2m 1
6 1 . . . parsed_2n2m 1
7 1 . . . parsed_2n2m 1
8 1 . . . parsed_2n2m 1
9 1 . . . parsed_2n2m 1
10 1 . . . parsed_2n2m 1
11 1 . . . parsed_2n2m 1
12 1 . . . parsed_2n2m 1
13 1 . . . parsed_2n2m 1
14 1 . . . parsed_2n2m 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 . . . . . . . . . 5 . HN parsed_2n2m 1
1 1 2 . . . . . . . . . 35 . HN parsed_2n2m 1
2 1 1 . . . . . . . . . 5 . HN parsed_2n2m 1
2 1 2 . . . . . . . . . 34 . HN parsed_2n2m 1
3 1 1 . . . . . . . . . 7 . HN parsed_2n2m 1
3 1 2 . . . . . . . . . 33 . HN parsed_2n2m 1
4 1 1 . . . . . . . . . 7 . HN parsed_2n2m 1
4 1 2 . . . . . . . . . 32 . HN parsed_2n2m 1
5 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1
5 1 2 . . . . . . . . . 32 . HN parsed_2n2m 1
6 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1
6 1 2 . . . . . . . . . 31 . HN parsed_2n2m 1
7 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1
7 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1
8 1 1 . . . . . . . . . 10 . HN parsed_2n2m 1
8 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1
9 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1
9 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1
10 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1
10 1 2 . . . . . . . . . 29 . HN parsed_2n2m 1
11 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1
11 1 2 . . . . . . . . . 28 . HN parsed_2n2m 1
12 1 1 . . . . . . . . . 13 . HN parsed_2n2m 1
12 1 2 . . . . . . . . . 28 . HN parsed_2n2m 1
13 1 1 . . . . . . . . . 13 . HN parsed_2n2m 1
13 1 2 . . . . . . . . . 27 . HN parsed_2n2m 1
14 1 1 . . . . . . . . . 15 . HN parsed_2n2m 1
14 1 2 . . . . . . . . . 24 . HN parsed_2n2m 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 1.8 5.8 parsed_2n2m 1
2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 2 and beta 3
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2n2m 2
2 1 . . . parsed_2n2m 2
3 1 . . . parsed_2n2m 2
4 1 . . . parsed_2n2m 2
5 1 . . . parsed_2n2m 2
6 1 . . . parsed_2n2m 2
7 1 . . . parsed_2n2m 2
8 1 . . . parsed_2n2m 2
9 1 . . . parsed_2n2m 2
10 1 . . . parsed_2n2m 2
11 1 . . . parsed_2n2m 2
12 1 . . . parsed_2n2m 2
13 1 . . . parsed_2n2m 2
14 1 . . . parsed_2n2m 2
15 1 . . . parsed_2n2m 2
16 1 . . . parsed_2n2m 2
17 1 . . . parsed_2n2m 2
18 1 . . . parsed_2n2m 2
19 1 . . . parsed_2n2m 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 . . . . . . . . . 27 . HN parsed_2n2m 2
1 1 2 . . . . . . . . . 51 . HN parsed_2n2m 2
2 1 1 . . . . . . . . . 28 . HN parsed_2n2m 2
2 1 2 . . . . . . . . . 51 . HN parsed_2n2m 2
3 1 1 . . . . . . . . . 29 . HN parsed_2n2m 2
3 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2
4 1 1 . . . . . . . . . 30 . HN parsed_2n2m 2
4 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2
5 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2
5 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2
6 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2
6 1 2 . . . . . . . . . 48 . HN parsed_2n2m 2
7 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2
7 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2
8 1 1 . . . . . . . . . 32 . HN parsed_2n2m 2
8 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2
9 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2
9 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2
10 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2
10 1 2 . . . . . . . . . 46 . HN parsed_2n2m 2
11 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2
11 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2
12 1 1 . . . . . . . . . 34 . HN parsed_2n2m 2
12 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2
13 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2
13 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2
14 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2
14 1 2 . . . . . . . . . 44 . HN parsed_2n2m 2
15 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2
15 1 2 . . . . . . . . . 43 . HN parsed_2n2m 2
16 1 1 . . . . . . . . . 29 . HD* parsed_2n2m 2
16 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2
17 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2
17 1 2 . . . . . . . . . 47 . HD* parsed_2n2m 2
18 1 1 . . . . . . . . . 33 . HD* parsed_2n2m 2
18 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2
19 1 1 . . . . . . . . . 35 . HD* parsed_2n2m 2
19 1 2 . . . . . . . . . 43 . HN parsed_2n2m 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 . . . . . 2.5 1.8 3.6 parsed_2n2m 2
2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
3 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2
4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
15 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2
16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
19 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 3 and beta 4
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_10
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 10
_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_2n2m 3
2 1 . . . parsed_2n2m 3
3 1 . . . parsed_2n2m 3
4 1 . . . parsed_2n2m 3
5 1 . . . parsed_2n2m 3
6 1 . . . parsed_2n2m 3
7 1 . . . parsed_2n2m 3
8 1 . . . parsed_2n2m 3
9 1 . . . parsed_2n2m 3
10 1 . . . parsed_2n2m 3
11 1 . . . parsed_2n2m 3
12 1 . . . parsed_2n2m 3
13 1 . . . parsed_2n2m 3
14 1 . . . parsed_2n2m 3
15 1 . . . parsed_2n2m 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 . . . . . . . . . 41 . HN parsed_2n2m 3
1 1 2 . . . . . . . . . 80 . HN parsed_2n2m 3
2 1 1 . . . . . . . . . 42 . HN parsed_2n2m 3
2 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3
3 1 1 . . . . . . . . . 43 . HN parsed_2n2m 3
3 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3
4 1 1 . . . . . . . . . 44 . HN parsed_2n2m 3
4 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3
5 1 1 . . . . . . . . . 44 . HN parsed_2n2m 3
5 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3
6 1 1 . . . . . . . . . 45 . HN parsed_2n2m 3
6 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3
7 1 1 . . . . . . . . . 46 . HN parsed_2n2m 3
7 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3
8 1 1 . . . . . . . . . 46 . HN parsed_2n2m 3
8 1 2 . . . . . . . . . 74 . HN parsed_2n2m 3
9 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3
9 1 2 . . . . . . . . . 74 . HN parsed_2n2m 3
10 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3
10 1 2 . . . . . . . . . 73 . HN parsed_2n2m 3
11 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3
11 1 2 . . . . . . . . . 72 . HN parsed_2n2m 3
12 1 1 . . . . . . . . . 50 . HN parsed_2n2m 3
12 1 2 . . . . . . . . . 70 . HN parsed_2n2m 3
13 1 1 . . . . . . . . . 51 . HN parsed_2n2m 3
13 1 2 . . . . . . . . . 70 . HN parsed_2n2m 3
14 1 1 . . . . . . . . . 52 . HN parsed_2n2m 3
14 1 2 . . . . . . . . . 68 . HN parsed_2n2m 3
15 1 1 . . . . . . . . . 50 . HN parsed_2n2m 3
15 1 2 . . . . . . . . . 70 . HD* parsed_2n2m 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 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
5 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
8 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
12 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3
15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 4 and beta 5
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_2n2m 4
2 1 . . . parsed_2n2m 4
3 1 . . . parsed_2n2m 4
4 1 . . . parsed_2n2m 4
5 1 . . . parsed_2n2m 4
6 1 . . . parsed_2n2m 4
7 1 . . . parsed_2n2m 4
8 1 . . . parsed_2n2m 4
9 1 . . . parsed_2n2m 4
10 1 . . . parsed_2n2m 4
11 1 . . . parsed_2n2m 4
12 1 . . . parsed_2n2m 4
13 1 . . . parsed_2n2m 4
14 1 . . . parsed_2n2m 4
15 1 . . . parsed_2n2m 4
16 1 . . . parsed_2n2m 4
17 1 . . . parsed_2n2m 4
18 1 . . . parsed_2n2m 4
19 1 . . . parsed_2n2m 4
20 1 . . . parsed_2n2m 4
21 1 . . . parsed_2n2m 4
22 1 . . . parsed_2n2m 4
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 . . . . . . . . . 69 . HN parsed_2n2m 4
1 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4
2 1 1 . . . . . . . . . 70 . HN parsed_2n2m 4
2 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4
3 1 1 . . . . . . . . . 71 . HN parsed_2n2m 4
3 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4
4 1 1 . . . . . . . . . 71 . HN parsed_2n2m 4
4 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4
5 1 1 . . . . . . . . . 72 . HN parsed_2n2m 4
5 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4
6 1 1 . . . . . . . . . 73 . HN parsed_2n2m 4
6 1 2 . . . . . . . . . 94 . HN parsed_2n2m 4
7 1 1 . . . . . . . . . 73 . HN parsed_2n2m 4
7 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4
8 1 1 . . . . . . . . . 74 . HN parsed_2n2m 4
8 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4
9 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4
9 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4
10 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4
10 1 2 . . . . . . . . . 92 . HN parsed_2n2m 4
11 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4
11 1 2 . . . . . . . . . 91 . HN parsed_2n2m 4
12 1 1 . . . . . . . . . 76 . HN parsed_2n2m 4
12 1 2 . . . . . . . . . 91 . HN parsed_2n2m 4
13 1 1 . . . . . . . . . 78 . HN parsed_2n2m 4
13 1 2 . . . . . . . . . 89 . HN parsed_2n2m 4
14 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4
14 1 2 . . . . . . . . . 89 . HN parsed_2n2m 4
15 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4
15 1 2 . . . . . . . . . 88 . HN parsed_2n2m 4
16 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4
16 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4
17 1 1 . . . . . . . . . 80 . HN parsed_2n2m 4
17 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4
18 1 1 . . . . . . . . . 81 . HN parsed_2n2m 4
18 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4
19 1 1 . . . . . . . . . 81 . HN parsed_2n2m 4
19 1 2 . . . . . . . . . 85 . HN parsed_2n2m 4
20 1 1 . . . . . . . . . 82 . HN parsed_2n2m 4
20 1 2 . . . . . . . . . 85 . HN parsed_2n2m 4
21 1 1 . . . . . . . . . 71 . HD* parsed_2n2m 4
21 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4
22 1 1 . . . . . . . . . 79 . HD* parsed_2n2m 4
22 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4
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 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
16 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
19 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4
20 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
21 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
22 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4
stop_
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 5 and beta 6
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_14
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 14
_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_2n2m 5
2 1 . . . parsed_2n2m 5
3 1 . . . parsed_2n2m 5
4 1 . . . parsed_2n2m 5
5 1 . . . parsed_2n2m 5
6 1 . . . parsed_2n2m 5
7 1 . . . parsed_2n2m 5
8 1 . . . parsed_2n2m 5
9 1 . . . parsed_2n2m 5
10 1 . . . parsed_2n2m 5
11 1 . . . parsed_2n2m 5
12 1 . . . parsed_2n2m 5
13 1 . . . parsed_2n2m 5
14 1 . . . parsed_2n2m 5
15 1 . . . parsed_2n2m 5
16 1 . . . parsed_2n2m 5
17 1 . . . parsed_2n2m 5
18 1 . . . parsed_2n2m 5
19 1 . . . parsed_2n2m 5
20 1 . . . parsed_2n2m 5
21 1 . . . parsed_2n2m 5
22 1 . . . parsed_2n2m 5
23 1 . . . parsed_2n2m 5
24 1 . . . parsed_2n2m 5
25 1 . . . parsed_2n2m 5
26 1 . . . parsed_2n2m 5
27 1 . . . parsed_2n2m 5
28 1 . . . parsed_2n2m 5
29 1 . . . parsed_2n2m 5
30 1 . . . parsed_2n2m 5
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 . . . . . . . . . 85 . HN parsed_2n2m 5
1 1 2 . . . . . . . . . 124 . HN parsed_2n2m 5
2 1 1 . . . . . . . . . 86 . HN parsed_2n2m 5
2 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5
3 1 1 . . . . . . . . . 87 . HN parsed_2n2m 5
3 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5
4 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5
4 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5
5 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5
5 1 2 . . . . . . . . . 121 . HN parsed_2n2m 5
6 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5
6 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5
7 1 1 . . . . . . . . . 89 . HN parsed_2n2m 5
7 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5
8 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5
8 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5
9 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5
9 1 2 . . . . . . . . . 119 . HN parsed_2n2m 5
10 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5
10 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5
11 1 1 . . . . . . . . . 91 . HN parsed_2n2m 5
11 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5
12 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5
12 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5
13 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5
13 1 2 . . . . . . . . . 117 . HN parsed_2n2m 5
14 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5
14 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5
15 1 1 . . . . . . . . . 93 . HN parsed_2n2m 5
15 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5
16 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5
16 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5
17 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5
17 1 2 . . . . . . . . . 115 . HN parsed_2n2m 5
18 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5
18 1 2 . . . . . . . . . 114 . HN parsed_2n2m 5
19 1 1 . . . . . . . . . 95 . HN parsed_2n2m 5
19 1 2 . . . . . . . . . 114 . HN parsed_2n2m 5
20 1 1 . . . . . . . . . 96 . HN parsed_2n2m 5
20 1 2 . . . . . . . . . 113 . HN parsed_2n2m 5
21 1 1 . . . . . . . . . 96 . HN parsed_2n2m 5
21 1 2 . . . . . . . . . 112 . HN parsed_2n2m 5
22 1 1 . . . . . . . . . 97 . HN parsed_2n2m 5
22 1 2 . . . . . . . . . 112 . HN parsed_2n2m 5
23 1 1 . . . . . . . . . 98 . HN parsed_2n2m 5
23 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5
24 1 1 . . . . . . . . . 99 . HN parsed_2n2m 5
24 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5
25 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5
25 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5
26 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5
26 1 2 . . . . . . . . . 109 . HN parsed_2n2m 5
27 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5
27 1 2 . . . . . . . . . 108 . HN parsed_2n2m 5
28 1 1 . . . . . . . . . 88 . HD* parsed_2n2m 5
28 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5
29 1 1 . . . . . . . . . 100 . HD* parsed_2n2m 5
29 1 2 . . . . . . . . . 108 . HN parsed_2n2m 5
30 1 1 . . . . . . . . . 104 . HD* parsed_2n2m 5
30 1 2 . . . . . . . . . 106 . HN parsed_2n2m 5
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 1.8 5.8 parsed_2n2m 5
2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
6 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
10 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
18 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
19 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
20 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
21 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
22 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
23 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5
24 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
25 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
26 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
27 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
28 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
29 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
30 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5
stop_
save_
save_MR_file_comment_15
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 8
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 15
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 6 and beta 7
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_16
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 16
_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_2n2m 6
2 1 . . . parsed_2n2m 6
3 1 . . . parsed_2n2m 6
4 1 . . . parsed_2n2m 6
5 1 . . . parsed_2n2m 6
6 1 . . . parsed_2n2m 6
7 1 . . . parsed_2n2m 6
8 1 . . . parsed_2n2m 6
9 1 . . . parsed_2n2m 6
10 1 . . . parsed_2n2m 6
11 1 . . . parsed_2n2m 6
12 1 . . . parsed_2n2m 6
13 1 . . . parsed_2n2m 6
14 1 . . . parsed_2n2m 6
15 1 . . . parsed_2n2m 6
16 1 . . . parsed_2n2m 6
17 1 . . . parsed_2n2m 6
18 1 . . . parsed_2n2m 6
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 . . . . . . . . . 115 . HN parsed_2n2m 6
1 1 2 . . . . . . . . . 139 . HN parsed_2n2m 6
2 1 1 . . . . . . . . . 117 . HN parsed_2n2m 6
2 1 2 . . . . . . . . . 138 . HN parsed_2n2m 6
3 1 1 . . . . . . . . . 117 . HN parsed_2n2m 6
3 1 2 . . . . . . . . . 137 . HN parsed_2n2m 6
4 1 1 . . . . . . . . . 120 . HN parsed_2n2m 6
4 1 2 . . . . . . . . . 135 . HN parsed_2n2m 6
5 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6
5 1 2 . . . . . . . . . 135 . HN parsed_2n2m 6
6 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6
6 1 2 . . . . . . . . . 134 . HN parsed_2n2m 6
7 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6
7 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6
8 1 1 . . . . . . . . . 122 . HN parsed_2n2m 6
8 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6
9 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6
9 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6
10 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6
10 1 2 . . . . . . . . . 132 . HN parsed_2n2m 6
11 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6
11 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6
12 1 1 . . . . . . . . . 124 . HN parsed_2n2m 6
12 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6
13 1 1 . . . . . . . . . 126 . HN parsed_2n2m 6
13 1 2 . . . . . . . . . 129 . HN parsed_2n2m 6
14 1 1 . . . . . . . . . 117 . HD* parsed_2n2m 6
14 1 2 . . . . . . . . . 137 . HN parsed_2n2m 6
15 1 1 . . . . . . . . . 119 . HN parsed_2n2m 6
15 1 2 . . . . . . . . . 135 . HD* parsed_2n2m 6
16 1 1 . . . . . . . . . 123 . HD* parsed_2n2m 6
16 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6
17 1 1 . . . . . . . . . 126 . HN parsed_2n2m 6
17 1 2 . . . . . . . . . 129 . HD* parsed_2n2m 6
18 1 1 . . . . . . . . . 129 . HN parsed_2n2m 6
18 1 2 . . . . . . . . . 126 . HD* parsed_2n2m 6
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 . . . . . 2.5 1.8 3.6 parsed_2n2m 6
2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
3 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6
4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6
stop_
save_
save_MR_file_comment_17
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 9
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 17
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 7 and beta 8
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_18
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 7
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 18
_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_2n2m 7
2 1 . . . parsed_2n2m 7
3 1 . . . parsed_2n2m 7
4 1 . . . parsed_2n2m 7
5 1 . . . parsed_2n2m 7
6 1 . . . parsed_2n2m 7
7 1 . . . parsed_2n2m 7
8 1 . . . parsed_2n2m 7
9 1 . . . parsed_2n2m 7
10 1 . . . parsed_2n2m 7
11 1 . . . parsed_2n2m 7
12 1 . . . parsed_2n2m 7
13 1 . . . parsed_2n2m 7
14 1 . . . parsed_2n2m 7
15 1 . . . parsed_2n2m 7
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 . . . . . . . . . 129 . HN parsed_2n2m 7
1 1 2 . . . . . . . . . 155 . HN parsed_2n2m 7
2 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7
2 1 2 . . . . . . . . . 155 . HN parsed_2n2m 7
3 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7
3 1 2 . . . . . . . . . 154 . HN parsed_2n2m 7
4 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7
4 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7
5 1 1 . . . . . . . . . 131 . HN parsed_2n2m 7
5 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7
6 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7
6 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7
7 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7
7 1 2 . . . . . . . . . 152 . HN parsed_2n2m 7
8 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7
8 1 2 . . . . . . . . . 151 . HN parsed_2n2m 7
9 1 1 . . . . . . . . . 134 . HN parsed_2n2m 7
9 1 2 . . . . . . . . . 150 . HN parsed_2n2m 7
10 1 1 . . . . . . . . . 134 . HN parsed_2n2m 7
10 1 2 . . . . . . . . . 149 . HN parsed_2n2m 7
11 1 1 . . . . . . . . . 135 . HN parsed_2n2m 7
11 1 2 . . . . . . . . . 149 . HN parsed_2n2m 7
12 1 1 . . . . . . . . . 136 . HN parsed_2n2m 7
12 1 2 . . . . . . . . . 147 . HN parsed_2n2m 7
13 1 1 . . . . . . . . . 137 . HN parsed_2n2m 7
13 1 2 . . . . . . . . . 147 . HN parsed_2n2m 7
14 1 1 . . . . . . . . . 138 . HN parsed_2n2m 7
14 1 2 . . . . . . . . . 145 . HN parsed_2n2m 7
15 1 1 . . . . . . . . . 140 . HN parsed_2n2m 7
15 1 2 . . . . . . . . . 143 . HN parsed_2n2m 7
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 1.8 5.8 parsed_2n2m 7
2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7
5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
8 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7
9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
10 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7
11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
12 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7
15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7
stop_
save_
save_MR_file_comment_19
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 10
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 19
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 8 and beta 1
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_20
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 8
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 20
_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_2n2m 8
2 1 . . . parsed_2n2m 8
3 1 . . . parsed_2n2m 8
4 1 . . . parsed_2n2m 8
5 1 . . . parsed_2n2m 8
6 1 . . . parsed_2n2m 8
7 1 . . . parsed_2n2m 8
8 1 . . . parsed_2n2m 8
9 1 . . . parsed_2n2m 8
10 1 . . . parsed_2n2m 8
11 1 . . . parsed_2n2m 8
12 1 . . . parsed_2n2m 8
13 1 . . . parsed_2n2m 8
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 . . . . . . . . . 144 . HN parsed_2n2m 8
1 1 2 . . . . . . . . . 16 . HN parsed_2n2m 8
2 1 1 . . . . . . . . . 146 . HN parsed_2n2m 8
2 1 2 . . . . . . . . . 14 . HN parsed_2n2m 8
3 1 1 . . . . . . . . . 147 . HN parsed_2n2m 8
3 1 2 . . . . . . . . . 14 . HN parsed_2n2m 8
4 1 1 . . . . . . . . . 148 . HN parsed_2n2m 8
4 1 2 . . . . . . . . . 13 . HN parsed_2n2m 8
5 1 1 . . . . . . . . . 148 . HN parsed_2n2m 8
5 1 2 . . . . . . . . . 12 . HN parsed_2n2m 8
6 1 1 . . . . . . . . . 150 . HN parsed_2n2m 8
6 1 2 . . . . . . . . . 10 . HN parsed_2n2m 8
7 1 1 . . . . . . . . . 151 . HN parsed_2n2m 8
7 1 2 . . . . . . . . . 10 . HN parsed_2n2m 8
8 1 1 . . . . . . . . . 152 . HN parsed_2n2m 8
8 1 2 . . . . . . . . . 9 . HN parsed_2n2m 8
9 1 1 . . . . . . . . . 154 . HN parsed_2n2m 8
9 1 2 . . . . . . . . . 6 . HN parsed_2n2m 8
10 1 1 . . . . . . . . . 156 . HN parsed_2n2m 8
10 1 2 . . . . . . . . . 5 . HN parsed_2n2m 8
11 1 1 . . . . . . . . . 148 . HE* parsed_2n2m 8
11 1 2 . . . . . . . . . 12 . HN parsed_2n2m 8
12 1 1 . . . . . . . . . 150 . HN parsed_2n2m 8
12 1 2 . . . . . . . . . 10 . HD* parsed_2n2m 8
13 1 1 . . . . . . . . . 154 . HD* parsed_2n2m 8
13 1 2 . . . . . . . . . 6 . HN parsed_2n2m 8
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 . . . . . 2.5 1.8 3.6 parsed_2n2m 8
2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8
3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
5 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8
6 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8
7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
9 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8
10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8
stop_
save_
save_MR_file_comment_21
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 11
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 21
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
!! Amide HN-O hydrogen bonds for Y. pestis Ail
!! H-BONDs were inferred from amide HN-HN NOEs and the h/D exchange data.
!! numbers specify: HBON, loHBON (HBON-1.5A), hiHBON
! beta 1 and beta 2
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_22
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 9
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 22
_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_2n2m 9
2 1 . . . parsed_2n2m 9
3 1 . . . parsed_2n2m 9
4 1 . . . parsed_2n2m 9
5 1 . . . parsed_2n2m 9
6 1 . . . parsed_2n2m 9
7 1 . . . parsed_2n2m 9
8 1 . . . parsed_2n2m 9
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 . . . . . . . . . 5 . HN parsed_2n2m 9
1 1 2 . . . . . . . . . 34 . O parsed_2n2m 9
2 1 1 . . . . . . . . . 34 . HN parsed_2n2m 9
2 1 2 . . . . . . . . . 5 . O parsed_2n2m 9
3 1 1 . . . . . . . . . 7 . HN parsed_2n2m 9
3 1 2 . . . . . . . . . 32 . O parsed_2n2m 9
4 1 1 . . . . . . . . . 32 . HN parsed_2n2m 9
4 1 2 . . . . . . . . . 7 . O parsed_2n2m 9
5 1 1 . . . . . . . . . 9 . HN parsed_2n2m 9
5 1 2 . . . . . . . . . 30 . O parsed_2n2m 9
6 1 1 . . . . . . . . . 30 . HN parsed_2n2m 9
6 1 2 . . . . . . . . . 9 . O parsed_2n2m 9
7 1 1 . . . . . . . . . 11 . HN parsed_2n2m 9
7 1 2 . . . . . . . . . 28 . O parsed_2n2m 9
8 1 1 . . . . . . . . . 15 . HN parsed_2n2m 9
8 1 2 . . . . . . . . . 24 . O parsed_2n2m 9
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9
stop_
save_
save_MR_file_comment_23
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 12
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 23
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 2 and beta 3
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_24
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 10
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 24
_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_2n2m 10
2 1 . . . parsed_2n2m 10
3 1 . . . parsed_2n2m 10
4 1 . . . parsed_2n2m 10
5 1 . . . parsed_2n2m 10
6 1 . . . parsed_2n2m 10
7 1 . . . parsed_2n2m 10
8 1 . . . parsed_2n2m 10
9 1 . . . parsed_2n2m 10
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 . . . . . . . . . 51 . HN parsed_2n2m 10
1 1 2 . . . . . . . . . 27 . O parsed_2n2m 10
2 1 1 . . . . . . . . . 29 . HN parsed_2n2m 10
2 1 2 . . . . . . . . . 49 . O parsed_2n2m 10
3 1 1 . . . . . . . . . 49 . HN parsed_2n2m 10
3 1 2 . . . . . . . . . 29 . O parsed_2n2m 10
4 1 1 . . . . . . . . . 31 . HN parsed_2n2m 10
4 1 2 . . . . . . . . . 47 . O parsed_2n2m 10
5 1 1 . . . . . . . . . 47 . HN parsed_2n2m 10
5 1 2 . . . . . . . . . 31 . O parsed_2n2m 10
6 1 1 . . . . . . . . . 33 . HN parsed_2n2m 10
6 1 2 . . . . . . . . . 45 . O parsed_2n2m 10
7 1 1 . . . . . . . . . 45 . HN parsed_2n2m 10
7 1 2 . . . . . . . . . 33 . O parsed_2n2m 10
8 1 1 . . . . . . . . . 35 . HN parsed_2n2m 10
8 1 2 . . . . . . . . . 43 . O parsed_2n2m 10
9 1 1 . . . . . . . . . 43 . HN parsed_2n2m 10
9 1 2 . . . . . . . . . 35 . O parsed_2n2m 10
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10
stop_
save_
save_MR_file_comment_25
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 13
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 25
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 3 and beta 4
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_26
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 11
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 26
_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_2n2m 11
2 1 . . . parsed_2n2m 11
3 1 . . . parsed_2n2m 11
4 1 . . . parsed_2n2m 11
5 1 . . . parsed_2n2m 11
6 1 . . . parsed_2n2m 11
7 1 . . . parsed_2n2m 11
8 1 . . . parsed_2n2m 11
9 1 . . . parsed_2n2m 11
10 1 . . . parsed_2n2m 11
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 . . . . . . . . . 42 . HN parsed_2n2m 11
1 1 2 . . . . . . . . . 78 . O parsed_2n2m 11
2 1 1 . . . . . . . . . 78 . HN parsed_2n2m 11
2 1 2 . . . . . . . . . 42 . O parsed_2n2m 11
3 1 1 . . . . . . . . . 44 . HN parsed_2n2m 11
3 1 2 . . . . . . . . . 76 . O parsed_2n2m 11
4 1 1 . . . . . . . . . 76 . HN parsed_2n2m 11
4 1 2 . . . . . . . . . 44 . O parsed_2n2m 11
5 1 1 . . . . . . . . . 46 . HN parsed_2n2m 11
5 1 2 . . . . . . . . . 74 . O parsed_2n2m 11
6 1 1 . . . . . . . . . 74 . HN parsed_2n2m 11
6 1 2 . . . . . . . . . 46 . O parsed_2n2m 11
7 1 1 . . . . . . . . . 48 . HN parsed_2n2m 11
7 1 2 . . . . . . . . . 72 . O parsed_2n2m 11
8 1 1 . . . . . . . . . 72 . HN parsed_2n2m 11
8 1 2 . . . . . . . . . 48 . O parsed_2n2m 11
9 1 1 . . . . . . . . . 50 . HN parsed_2n2m 11
9 1 2 . . . . . . . . . 70 . O parsed_2n2m 11
10 1 1 . . . . . . . . . 70 . HN parsed_2n2m 11
10 1 2 . . . . . . . . . 50 . O parsed_2n2m 11
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11
stop_
save_
save_MR_file_comment_27
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 14
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 27
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 4 and beta 5
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_28
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 12
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 28
_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_2n2m 12
2 1 . . . parsed_2n2m 12
3 1 . . . parsed_2n2m 12
4 1 . . . parsed_2n2m 12
5 1 . . . parsed_2n2m 12
6 1 . . . parsed_2n2m 12
7 1 . . . parsed_2n2m 12
8 1 . . . parsed_2n2m 12
9 1 . . . parsed_2n2m 12
10 1 . . . parsed_2n2m 12
11 1 . . . parsed_2n2m 12
12 1 . . . parsed_2n2m 12
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 . . . . . . . . . 69 . HN parsed_2n2m 12
1 1 2 . . . . . . . . . 97 . O parsed_2n2m 12
2 1 1 . . . . . . . . . 97 . HN parsed_2n2m 12
2 1 2 . . . . . . . . . 69 . O parsed_2n2m 12
3 1 1 . . . . . . . . . 71 . HN parsed_2n2m 12
3 1 2 . . . . . . . . . 95 . O parsed_2n2m 12
4 1 1 . . . . . . . . . 95 . HN parsed_2n2m 12
4 1 2 . . . . . . . . . 71 . O parsed_2n2m 12
5 1 1 . . . . . . . . . 73 . HN parsed_2n2m 12
5 1 2 . . . . . . . . . 93 . O parsed_2n2m 12
6 1 1 . . . . . . . . . 93 . HN parsed_2n2m 12
6 1 2 . . . . . . . . . 73 . O parsed_2n2m 12
7 1 1 . . . . . . . . . 75 . HN parsed_2n2m 12
7 1 2 . . . . . . . . . 91 . O parsed_2n2m 12
8 1 1 . . . . . . . . . 91 . HN parsed_2n2m 12
8 1 2 . . . . . . . . . 75 . O parsed_2n2m 12
9 1 1 . . . . . . . . . 79 . HN parsed_2n2m 12
9 1 2 . . . . . . . . . 87 . O parsed_2n2m 12
10 1 1 . . . . . . . . . 87 . HN parsed_2n2m 12
10 1 2 . . . . . . . . . 79 . O parsed_2n2m 12
11 1 1 . . . . . . . . . 81 . HN parsed_2n2m 12
11 1 2 . . . . . . . . . 85 . O parsed_2n2m 12
12 1 1 . . . . . . . . . 82 . HN parsed_2n2m 12
12 1 2 . . . . . . . . . 85 . O parsed_2n2m 12
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
11 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
12 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12
stop_
save_
save_MR_file_comment_29
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 15
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 29
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 5 and beta 6
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_30
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 13
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 30
_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_2n2m 13
2 1 . . . parsed_2n2m 13
3 1 . . . parsed_2n2m 13
4 1 . . . parsed_2n2m 13
5 1 . . . parsed_2n2m 13
6 1 . . . parsed_2n2m 13
7 1 . . . parsed_2n2m 13
8 1 . . . parsed_2n2m 13
9 1 . . . parsed_2n2m 13
10 1 . . . parsed_2n2m 13
11 1 . . . parsed_2n2m 13
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 . . . . . . . . . 86 . HN parsed_2n2m 13
1 1 2 . . . . . . . . . 122 . O parsed_2n2m 13
2 1 1 . . . . . . . . . 122 . HN parsed_2n2m 13
2 1 2 . . . . . . . . . 86 . O parsed_2n2m 13
3 1 1 . . . . . . . . . 88 . HN parsed_2n2m 13
3 1 2 . . . . . . . . . 120 . O parsed_2n2m 13
4 1 1 . . . . . . . . . 120 . HN parsed_2n2m 13
4 1 2 . . . . . . . . . 88 . O parsed_2n2m 13
5 1 1 . . . . . . . . . 90 . HN parsed_2n2m 13
5 1 2 . . . . . . . . . 118 . O parsed_2n2m 13
6 1 1 . . . . . . . . . 118 . HN parsed_2n2m 13
6 1 2 . . . . . . . . . 90 . O parsed_2n2m 13
7 1 1 . . . . . . . . . 92 . HN parsed_2n2m 13
7 1 2 . . . . . . . . . 116 . O parsed_2n2m 13
8 1 1 . . . . . . . . . 116 . HN parsed_2n2m 13
8 1 2 . . . . . . . . . 92 . O parsed_2n2m 13
9 1 1 . . . . . . . . . 94 . HN parsed_2n2m 13
9 1 2 . . . . . . . . . 114 . O parsed_2n2m 13
10 1 1 . . . . . . . . . 112 . HN parsed_2n2m 13
10 1 2 . . . . . . . . . 96 . O parsed_2n2m 13
11 1 1 . . . . . . . . . 110 . HN parsed_2n2m 13
11 1 2 . . . . . . . . . 98 . O parsed_2n2m 13
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
11 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13
stop_
save_
save_MR_file_comment_31
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 16
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 31
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 6 and beta 7
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_32
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 14
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 32
_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_2n2m 14
2 1 . . . parsed_2n2m 14
3 1 . . . parsed_2n2m 14
4 1 . . . parsed_2n2m 14
5 1 . . . parsed_2n2m 14
6 1 . . . parsed_2n2m 14
7 1 . . . parsed_2n2m 14
8 1 . . . parsed_2n2m 14
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 . . . . . . . . . 117 . HN parsed_2n2m 14
1 1 2 . . . . . . . . . 137 . O parsed_2n2m 14
2 1 1 . . . . . . . . . 137 . HN parsed_2n2m 14
2 1 2 . . . . . . . . . 117 . O parsed_2n2m 14
3 1 1 . . . . . . . . . 119 . HN parsed_2n2m 14
3 1 2 . . . . . . . . . 135 . O parsed_2n2m 14
4 1 1 . . . . . . . . . 135 . HN parsed_2n2m 14
4 1 2 . . . . . . . . . 119 . O parsed_2n2m 14
5 1 1 . . . . . . . . . 121 . HN parsed_2n2m 14
5 1 2 . . . . . . . . . 133 . O parsed_2n2m 14
6 1 1 . . . . . . . . . 133 . HN parsed_2n2m 14
6 1 2 . . . . . . . . . 121 . O parsed_2n2m 14
7 1 1 . . . . . . . . . 123 . HN parsed_2n2m 14
7 1 2 . . . . . . . . . 131 . O parsed_2n2m 14
8 1 1 . . . . . . . . . 131 . HN parsed_2n2m 14
8 1 2 . . . . . . . . . 123 . O parsed_2n2m 14
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14
stop_
save_
save_MR_file_comment_33
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 17
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 33
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 7 and beta 8
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_34
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 15
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 34
_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_2n2m 15
2 1 . . . parsed_2n2m 15
3 1 . . . parsed_2n2m 15
4 1 . . . parsed_2n2m 15
5 1 . . . parsed_2n2m 15
6 1 . . . parsed_2n2m 15
7 1 . . . parsed_2n2m 15
8 1 . . . parsed_2n2m 15
9 1 . . . parsed_2n2m 15
10 1 . . . parsed_2n2m 15
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 . . . . . . . . . 130 . HN parsed_2n2m 15
1 1 2 . . . . . . . . . 153 . O parsed_2n2m 15
2 1 1 . . . . . . . . . 153 . HN parsed_2n2m 15
2 1 2 . . . . . . . . . 130 . O parsed_2n2m 15
3 1 1 . . . . . . . . . 132 . HN parsed_2n2m 15
3 1 2 . . . . . . . . . 151 . O parsed_2n2m 15
4 1 1 . . . . . . . . . 151 . HN parsed_2n2m 15
4 1 2 . . . . . . . . . 132 . O parsed_2n2m 15
5 1 1 . . . . . . . . . 134 . HN parsed_2n2m 15
5 1 2 . . . . . . . . . 149 . O parsed_2n2m 15
6 1 1 . . . . . . . . . 149 . HN parsed_2n2m 15
6 1 2 . . . . . . . . . 134 . O parsed_2n2m 15
7 1 1 . . . . . . . . . 136 . HN parsed_2n2m 15
7 1 2 . . . . . . . . . 147 . O parsed_2n2m 15
8 1 1 . . . . . . . . . 147 . HN parsed_2n2m 15
8 1 2 . . . . . . . . . 136 . O parsed_2n2m 15
9 1 1 . . . . . . . . . 138 . HN parsed_2n2m 15
9 1 2 . . . . . . . . . 145 . O parsed_2n2m 15
10 1 1 . . . . . . . . . 145 . HN parsed_2n2m 15
10 1 2 . . . . . . . . . 138 . O parsed_2n2m 15
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15
stop_
save_
save_MR_file_comment_35
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n2m
_Org_constr_file_comment.ID 18
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 35
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! beta 8 and beta 1
!=====================================================================
;
save_
save_CNS/XPLOR_distance_constraints_36
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n2m
_Distance_constraint_list.ID 16
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 36
_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_2n2m 16
2 1 . . . parsed_2n2m 16
3 1 . . . parsed_2n2m 16
4 1 . . . parsed_2n2m 16
5 1 . . . parsed_2n2m 16
6 1 . . . parsed_2n2m 16
7 1 . . . parsed_2n2m 16
8 1 . . . parsed_2n2m 16
9 1 . . . parsed_2n2m 16
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 . . . . . . . . . 146 . HN parsed_2n2m 16
1 1 2 . . . . . . . . . 14 . O parsed_2n2m 16
2 1 1 . . . . . . . . . 148 . HN parsed_2n2m 16
2 1 2 . . . . . . . . . 12 . O parsed_2n2m 16
3 1 1 . . . . . . . . . 12 . HN parsed_2n2m 16
3 1 2 . . . . . . . . . 148 . O parsed_2n2m 16
4 1 1 . . . . . . . . . 150 . HN parsed_2n2m 16
4 1 2 . . . . . . . . . 10 . O parsed_2n2m 16
5 1 1 . . . . . . . . . 10 . HN parsed_2n2m 16
5 1 2 . . . . . . . . . 150 . O parsed_2n2m 16
6 1 1 . . . . . . . . . 152 . HN parsed_2n2m 16
6 1 2 . . . . . . . . . 8 . O parsed_2n2m 16
7 1 1 . . . . . . . . . 8 . HN parsed_2n2m 16
7 1 2 . . . . . . . . . 152 . O parsed_2n2m 16
8 1 1 . . . . . . . . . 154 . HN parsed_2n2m 16
8 1 2 . . . . . . . . . 6 . O parsed_2n2m 16
9 1 1 . . . . . . . . . 156 . HN parsed_2n2m 16
9 1 2 . . . . . . . . . 4 . O parsed_2n2m 16
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 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16
stop_
save_
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