NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
279015 |
2knb   |
16813 | cing | 2-parsed | STAR | entry | full | 312 |
data_2knb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2knb
_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_2knb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2knb
_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 2knb "Master copy" parsed_2knb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2knb
_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 2knb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2knb 1
1 2knb.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 129 parsed_2knb 1
1 2knb.mr . . HADDOCK 3 distance NOE ambi 0 parsed_2knb 1
1 2knb.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 118 parsed_2knb 1
1 2knb.mr . . XPLOR/CNS 5 distance NOE simple 65 parsed_2knb 1
1 2knb.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2knb 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_2knb
_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 PROTEIN BINDING 20-AUG-09 2KNB
*TITLE SOLUTION NMR STRUCTURE OF THE PARKIN UBL DOMAIN IN COMPLEX
*TITLE 2 WITH THE ENDOPHILIN-A1 SH3 DOMAIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE PARKIN;
*COMPND 3 CHAIN: A;
*COMPND 4 EC: 6.3.2.-;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: ENDOPHILIN-A1;
*COMPND 8 CHAIN: B;
*COMPND 9 SYNONYM: ENDOPHILIN-1, SH3 DOMAIN-CONTAINING GRB2-LIKE
*COMPND 10 PROTEIN 2, SH3 DOMAIN PROTEIN 2A, SH3P4;
*COMPND 11 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 3 ORGANISM_COMMON: BROWN RAT,RAT,RATS;
*SOURCE 4 ORGANISM_TAXID: 10116;
*SOURCE 5 GENE: PARK2, PRKN;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: K12;
*SOURCE 9 EXPRESSION_SYSTEM_VARIANT: BL21 DE3;
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PGEX-6P1;
*SOURCE 11 MOL_ID: 2;
*SOURCE 12 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 13 ORGANISM_COMMON: BROWN RAT,RAT,RATS;
*SOURCE 14 ORGANISM_TAXID: 10116;
*SOURCE 15 GENE: SH3GL2, SH3D2A, SH3P4;
*SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 17 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 18 EXPRESSION_SYSTEM_STRAIN: K12;
*SOURCE 19 EXPRESSION_SYSTEM_VARIANT: BL21 DE3;
*SOURCE 20 EXPRESSION_SYSTEM_VECTOR: PGEX-2TK
*KEYWDS UBL, SH3, PARKIN, ENDOPHILIN, ALTERNATIVE SPLICING, CELL
*KEYWDS 2 JUNCTION, CELL MEMBRANE, CELL PROJECTION, CYTOPLASM,
*KEYWDS 3 ENDOPLASMIC RETICULUM, LIGASE, MEMBRANE, METAL-BINDING,
*KEYWDS 4 NUCLEUS, POSTSYNAPTIC CELL MEMBRANE, S-NITROSYLATION,
*KEYWDS 5 SYNAPSE, UBL CONJUGATION, UBL CONJUGATION PATHWAY, ZINC,
*KEYWDS 6 ZINC-FINGER, COILED COIL, ENDOCYTOSIS, LIPID-BINDING,
*KEYWDS 7 PHOSPHOPROTEIN, SH3 DOMAIN, PROTEIN BINDING
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR J.TREMPE, K.GUENNADI, C.M.EDNA, G.KALLE
*REVDAT 1 22-DEC-09 2KNB 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2knb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.00 -84.00 . A 1 . C A 2 . N A 2 . CA A 2 . C parsed_2knb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -105.00 . A 2 . C A 3 . N A 3 . CA A 3 . C parsed_2knb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -84.00 . A 3 . C A 4 . N A 4 . CA A 4 . C parsed_2knb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -80.00 . A 4 . C A 5 . N A 5 . CA A 5 . C parsed_2knb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -87.00 . A 5 . C A 6 . N A 6 . CA A 6 . C parsed_2knb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -91.00 . A 6 . C A 7 . N A 7 . CA A 7 . C parsed_2knb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 85.00 . A 7 . C A 8 . N A 8 . CA A 8 . C parsed_2knb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.00 -59.00 . A 9 . C A 10 . N A 10 . CA A 10 . C parsed_2knb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -101.00 . A 10 . C A 11 . N A 11 . CA A 11 . C parsed_2knb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -77.00 . A 12 . C A 13 . N A 13 . CA A 13 . C parsed_2knb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . A 13 . C A 14 . N A 14 . CA A 14 . C parsed_2knb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -96.00 . A 14 . C A 15 . N A 15 . CA A 15 . C parsed_2knb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -67.00 . A 15 . C A 16 . N A 16 . CA A 16 . C parsed_2knb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.00 -111.00 . A 16 . C A 17 . N A 17 . CA A 17 . C parsed_2knb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -52.00 . A 17 . C A 18 . N A 18 . CA A 18 . C parsed_2knb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -52.00 . A 18 . C A 19 . N A 19 . CA A 19 . C parsed_2knb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.00 -74.00 . A 19 . C A 20 . N A 20 . CA A 20 . C parsed_2knb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.00 -48.00 . A 20 . C A 21 . N A 21 . CA A 21 . C parsed_2knb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -77.00 . A 21 . C A 22 . N A 22 . CA A 22 . C parsed_2knb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -49.00 . A 22 . C A 23 . N A 23 . CA A 23 . C parsed_2knb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2knb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2knb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -42.00 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2knb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -42.00 . A 26 . C A 27 . N A 27 . CA A 27 . C parsed_2knb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . A 27 . C A 28 . N A 28 . CA A 28 . C parsed_2knb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . A 28 . C A 29 . N A 29 . CA A 29 . C parsed_2knb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . A 29 . C A 30 . N A 30 . CA A 30 . C parsed_2knb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2knb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . A 31 . C A 32 . N A 32 . CA A 32 . C parsed_2knb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . A 32 . C A 33 . N A 33 . CA A 33 . C parsed_2knb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -67.00 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2knb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54.00 102.00 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2knb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -68.00 . A 35 . C A 36 . N A 36 . CA A 36 . C parsed_2knb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . A 36 . C A 37 . N A 37 . CA A 37 . C parsed_2knb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . A 37 . C A 38 . N A 38 . CA A 38 . C parsed_2knb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -48.00 . A 38 . C A 39 . N A 39 . CA A 39 . C parsed_2knb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -65.00 . A 39 . C A 40 . N A 40 . CA A 40 . C parsed_2knb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -57.00 . A 40 . C A 41 . N A 41 . CA A 41 . C parsed_2knb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -84.00 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2knb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -83.00 . A 42 . C A 43 . N A 43 . CA A 43 . C parsed_2knb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -97.00 . A 43 . C A 44 . N A 44 . CA A 44 . C parsed_2knb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -100.00 . A 44 . C A 45 . N A 45 . CA A 45 . C parsed_2knb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.00 73.00 . A 45 . C A 46 . N A 46 . CA A 46 . C parsed_2knb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.00 97.00 . A 46 . C A 47 . N A 47 . CA A 47 . C parsed_2knb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.00 -83.00 . A 47 . C A 48 . N A 48 . CA A 48 . C parsed_2knb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -36.00 . A 48 . C A 49 . N A 49 . CA A 49 . C parsed_2knb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -69.00 . A 49 . C A 50 . N A 50 . CA A 50 . C parsed_2knb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -14.00 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2knb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -28.00 . A 51 . C A 52 . N A 52 . CA A 52 . C parsed_2knb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.00 -58.00 . A 52 . C A 53 . N A 53 . CA A 53 . C parsed_2knb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -30.00 . A 53 . C A 54 . N A 54 . CA A 54 . C parsed_2knb 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -48.00 . A 54 . C A 55 . N A 55 . CA A 55 . C parsed_2knb 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . A 55 . C A 56 . N A 56 . CA A 56 . C parsed_2knb 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.00 -40.00 . A 64 . C A 65 . N A 65 . CA A 65 . C parsed_2knb 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -61.00 . A 65 . C A 66 . N A 66 . CA A 66 . C parsed_2knb 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -89.00 . A 66 . C A 67 . N A 67 . CA A 67 . C parsed_2knb 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.00 -77.00 . A 67 . C A 68 . N A 68 . CA A 68 . C parsed_2knb 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -78.00 . A 68 . C A 69 . N A 69 . CA A 69 . C parsed_2knb 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -98.00 . A 69 . C A 70 . N A 70 . CA A 70 . C parsed_2knb 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -65.00 . A 70 . C A 71 . N A 71 . CA A 71 . C parsed_2knb 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -84.00 . A 71 . C A 72 . N A 72 . CA A 72 . C parsed_2knb 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -26.00 . A 72 . C A 73 . N A 73 . CA A 73 . C parsed_2knb 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -57.00 . A 73 . C A 74 . N A 74 . CA A 74 . C parsed_2knb 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -46.00 . A 74 . C A 75 . N A 75 . CA A 75 . C parsed_2knb 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 156.00 . A 2 . N A 2 . CA A 2 . C A 3 . N parsed_2knb 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 178.00 . A 3 . N A 3 . CA A 3 . C A 4 . N parsed_2knb 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 143.00 . A 4 . N A 4 . CA A 4 . C A 5 . N parsed_2knb 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 150.00 . A 5 . N A 5 . CA A 5 . C A 6 . N parsed_2knb 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 142.00 . A 6 . N A 6 . CA A 6 . C A 7 . N parsed_2knb 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2knb 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 80.00 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2knb 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 13.00 . A 10 . N A 10 . CA A 10 . C A 11 . N parsed_2knb 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 208.00 . A 11 . N A 11 . CA A 11 . C A 12 . N parsed_2knb 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 193.00 . A 13 . N A 13 . CA A 13 . C A 14 . N parsed_2knb 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 166.00 . A 14 . N A 14 . CA A 14 . C A 15 . N parsed_2knb 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 163.00 . A 15 . N A 15 . CA A 15 . C A 16 . N parsed_2knb 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 166.00 . A 16 . N A 16 . CA A 16 . C A 17 . N parsed_2knb 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.00 181.00 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2knb 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 190.00 . A 18 . N A 18 . CA A 18 . C A 19 . N parsed_2knb 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -4.00 . A 19 . N A 19 . CA A 19 . C A 20 . N parsed_2knb 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.00 26.00 . A 20 . N A 20 . CA A 20 . C A 21 . N parsed_2knb 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 152.00 . A 21 . N A 21 . CA A 21 . C A 22 . N parsed_2knb 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 167.00 . A 22 . N A 22 . CA A 22 . C A 23 . N parsed_2knb 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 -3.00 . A 23 . N A 23 . CA A 23 . C A 24 . N parsed_2knb 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -23.00 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2knb 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . A 25 . N A 25 . CA A 25 . C A 26 . N parsed_2knb 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2knb 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . A 27 . N A 27 . CA A 27 . C A 28 . N parsed_2knb 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -24.00 . A 28 . N A 28 . CA A 28 . C A 29 . N parsed_2knb 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . A 29 . N A 29 . CA A 29 . C A 30 . N parsed_2knb 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -24.00 . A 30 . N A 30 . CA A 30 . C A 31 . N parsed_2knb 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . A 31 . N A 31 . CA A 31 . C A 32 . N parsed_2knb 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . A 32 . N A 32 . CA A 32 . C A 33 . N parsed_2knb 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -18.00 . A 33 . N A 33 . CA A 33 . C A 34 . N parsed_2knb 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 22.00 . A 34 . N A 34 . CA A 34 . C A 35 . N parsed_2knb 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.00 58.00 . A 35 . N A 35 . CA A 35 . C A 36 . N parsed_2knb 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.00 180.00 . A 36 . N A 36 . CA A 36 . C A 37 . N parsed_2knb 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 164.00 . A 37 . N A 37 . CA A 37 . C A 38 . N parsed_2knb 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -8.00 . A 38 . N A 38 . CA A 38 . C A 39 . N parsed_2knb 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 18.00 . A 39 . N A 39 . CA A 39 . C A 40 . N parsed_2knb 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 28.00 . A 40 . N A 40 . CA A 40 . C A 41 . N parsed_2knb 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 169.00 . A 41 . N A 41 . CA A 41 . C A 42 . N parsed_2knb 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 163.00 . A 42 . N A 42 . CA A 42 . C A 43 . N parsed_2knb 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 142.00 . A 43 . N A 43 . CA A 43 . C A 44 . N parsed_2knb 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.00 149.00 . A 44 . N A 44 . CA A 44 . C A 45 . N parsed_2knb 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 142.00 . A 45 . N A 45 . CA A 45 . C A 46 . N parsed_2knb 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 60.00 . A 46 . N A 46 . CA A 46 . C A 47 . N parsed_2knb 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 28.00 . A 47 . N A 47 . CA A 47 . C A 48 . N parsed_2knb 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 183.00 . A 48 . N A 48 . CA A 48 . C A 49 . N parsed_2knb 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 148.00 . A 49 . N A 49 . CA A 49 . C A 50 . N parsed_2knb 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 178.00 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2knb 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 181.00 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2knb 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -13.00 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2knb 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 26.00 . A 53 . N A 53 . CA A 53 . C A 54 . N parsed_2knb 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 177.00 . A 54 . N A 54 . CA A 54 . C A 55 . N parsed_2knb 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.00 183.00 . A 55 . N A 55 . CA A 55 . C A 56 . N parsed_2knb 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . A 56 . N A 56 . CA A 56 . C A 57 . N parsed_2knb 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.00 173.00 . A 65 . N A 65 . CA A 65 . C A 66 . N parsed_2knb 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 149.00 . A 66 . N A 66 . CA A 66 . C A 67 . N parsed_2knb 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 158.00 . A 67 . N A 67 . CA A 67 . C A 68 . N parsed_2knb 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 152.00 . A 68 . N A 68 . CA A 68 . C A 69 . N parsed_2knb 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.00 153.00 . A 69 . N A 69 . CA A 69 . C A 70 . N parsed_2knb 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.00 178.00 . A 70 . N A 70 . CA A 70 . C A 71 . N parsed_2knb 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 145.00 . A 71 . N A 71 . CA A 71 . C A 72 . N parsed_2knb 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.00 159.00 . A 72 . N A 72 . CA A 72 . C A 73 . N parsed_2knb 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 166.00 . A 73 . N A 73 . CA A 73 . C A 74 . N parsed_2knb 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 169.00 . A 74 . N A 74 . CA A 74 . C A 75 . N parsed_2knb 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.00 155.00 . A 75 . N A 75 . CA A 75 . C A 76 . N parsed_2knb 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . A 72 . CA A 72 . C A 73 . N A 73 . CA parsed_2knb 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "1. I 2 Phi -104.00 +/- 36.00 (-140.00 to -68.00)" 1 1 1 51 parsed_2knb 1
2 "2. V 3 Phi -133.00 +/- 34.00 (-167.00 to -99.00)" 6 1 6 51 parsed_2knb 1
3 "3. F 4 Phi -112.00 +/- 26.00 (-138.00 to -86.00)" 11 1 11 51 parsed_2knb 1
4 "4. V 5 Phi -105.00 +/- 28.00 (-133.00 to -77.00)" 16 1 16 51 parsed_2knb 1
5 "5. R 6 Phi -107.00 +/- 30.00 (-137.00 to -77.00)" 21 1 21 51 parsed_2knb 1
6 "6. F 7 Phi -116.00 +/- 36.00 (-152.00 to -80.00)" 26 1 26 51 parsed_2knb 1
7 "7. S 10 Phi -79.00 +/- 20.00 (-99.00 to -59.00)" 34 1 34 50 parsed_2knb 1
8 "8. Y 11 Phi -116.00 +/- 88.00 (-204.00 to -28.00)" 39 1 39 52 parsed_2knb 1
9 "9. F 13 Phi -102.00 +/- 40.00 (-142.00 to -62.00)" 44 1 44 52 parsed_2knb 1
10 "10. P 14 Phi -65.00 +/- 14.00 (-79.00 to -51.00)" 49 1 49 51 parsed_2knb 1
11 "11. V 15 Phi -120.00 +/- 24.00 (-144.00 to -96.00)" 54 1 54 53 parsed_2knb 1
12 "12. E 16 Phi -108.00 +/- 44.00 (-152.00 to -64.00)" 59 1 59 53 parsed_2knb 1
13 "13. V 17 Phi -129.00 +/- 18.00 (-147.00 to -111.00)" 64 1 64 54 parsed_2knb 1
14 "14. D 18 Phi -102.00 +/- 62.00 (-164.00 to -40.00)" 69 1 69 53 parsed_2knb 1
15 "15. S 19 Phi -60.00 +/- 8.00 (-68.00 to -52.00)" 74 1 74 50 parsed_2knb 1
16 "16. D 20 Phi -98.00 +/- 24.00 (-122.00 to -74.00)" 79 1 79 52 parsed_2knb 1
17 "17. T 21 Phi -78.00 +/- 30.00 (-108.00 to -48.00)" 84 1 84 52 parsed_2knb 1
18 "18. S 22 Phi -115.00 +/- 38.00 (-153.00 to -77.00)" 89 1 89 53 parsed_2knb 1
19 "19. I 23 Phi -71.00 +/- 22.00 (-93.00 to -49.00)" 94 1 94 51 parsed_2knb 1
20 "20. F 24 Phi -60.00 +/- 8.00 (-68.00 to -52.00)" 99 1 99 50 parsed_2knb 1
21 "21. Q 25 Phi -64.00 +/- 4.00 (-68.00 to -60.00)" 104 1 104 50 parsed_2knb 1
22 "22. L 26 Phi -62.00 +/- 6.00 (-68.00 to -56.00)" 109 1 109 50 parsed_2knb 1
23 "23. K 27 Phi -62.00 +/- 8.00 (-70.00 to -54.00)" 114 1 114 50 parsed_2knb 1
24 "24. E 28 Phi -66.00 +/- 8.00 (-74.00 to -58.00)" 119 1 119 50 parsed_2knb 1
25 "25. V 29 Phi -67.00 +/- 12.00 (-79.00 to -55.00)" 124 1 124 51 parsed_2knb 1
26 "26. V 30 Phi -64.00 +/- 10.00 (-74.00 to -54.00)" 129 1 129 51 parsed_2knb 1
27 "27. A 31 Phi -63.00 +/- 12.00 (-75.00 to -51.00)" 134 1 134 51 parsed_2knb 1
28 "28. K 32 Phi -65.00 +/- 8.00 (-73.00 to -57.00)" 139 1 139 50 parsed_2knb 1
29 "29. R 33 Phi -64.00 +/- 20.00 (-84.00 to -44.00)" 144 1 144 51 parsed_2knb 1
30 "30. Q 34 Phi -101.00 +/- 34.00 (-135.00 to -67.00)" 149 1 149 53 parsed_2knb 1
31 "31. G 35 Phi 78.00 +/- 24.00 (54.00 to 102.00)" 154 1 154 49 parsed_2knb 1
32 "32. V 36 Phi -116.00 +/- 48.00 (-164.00 to -68.00)" 159 1 159 53 parsed_2knb 1
33 "33. P 37 Phi -67.00 +/- 16.00 (-83.00 to -51.00)" 164 1 164 51 parsed_2knb 1
34 "34. A 38 Phi -59.00 +/- 12.00 (-71.00 to -47.00)" 169 1 169 51 parsed_2knb 1
35 "35. D 39 Phi -72.00 +/- 24.00 (-96.00 to -48.00)" 174 1 174 51 parsed_2knb 1
36 "36. Q 40 Phi -91.00 +/- 26.00 (-117.00 to -65.00)" 179 1 179 52 parsed_2knb 1
37 "37. L 41 Phi -98.00 +/- 66.00 (-164.00 to -32.00)" 184 1 184 52 parsed_2knb 1
38 "38. R 42 Phi -126.00 +/- 42.00 (-168.00 to -84.00)" 189 1 189 53 parsed_2knb 1
39 "39. V 43 Phi -111.00 +/- 28.00 (-139.00 to -83.00)" 194 1 194 53 parsed_2knb 1
40 "40. I 44 Phi -117.00 +/- 16.00 (-133.00 to -101.00)" 199 1 199 54 parsed_2knb 1
41 "41. F 45 Phi -126.00 +/- 26.00 (-152.00 to -100.00)" 204 1 204 54 parsed_2knb 1
42 "42. A 46 Phi 53.00 +/- 14.00 (39.00 to 67.00)" 209 1 209 48 parsed_2knb 1
43 "43. G 47 Phi 77.00 +/- 16.00 (61.00 to 93.00)" 214 1 214 48 parsed_2knb 1
44 "44. K 48 Phi -117.00 +/- 34.00 (-151.00 to -83.00)" 219 1 219 53 parsed_2knb 1
45 "45. E 49 Phi -105.00 +/- 56.00 (-161.00 to -49.00)" 224 1 224 53 parsed_2knb 1
46 "46. L 50 Phi -102.00 +/- 28.00 (-130.00 to -74.00)" 229 1 229 53 parsed_2knb 1
47 "47. Q 51 Phi -83.00 +/- 60.00 (-143.00 to -23.00)" 234 1 234 52 parsed_2knb 1
48 "48. N 52 Phi -64.00 +/- 30.00 (-94.00 to -34.00)" 239 1 239 51 parsed_2knb 1
49 "49. H 53 Phi -88.00 +/- 32.00 (-120.00 to -56.00)" 244 1 244 52 parsed_2knb 1
50 "50. L 54 Phi -93.00 +/- 56.00 (-149.00 to -37.00)" 249 1 249 52 parsed_2knb 1
51 "51. T 55 Phi -113.00 +/- 58.00 (-171.00 to -55.00)" 254 1 254 53 parsed_2knb 1
52 "52. V 56 Phi -63.00 +/- 16.00 (-79.00 to -47.00)" 259 1 259 51 parsed_2knb 1
53 "61. S 65 Phi -78.00 +/- 38.00 (-116.00 to -40.00)" 264 1 264 52 parsed_2knb 1
54 "62. I 66 Phi -103.00 +/- 42.00 (-145.00 to -61.00)" 269 1 269 53 parsed_2knb 1
55 "63. V 67 Phi -114.00 +/- 24.00 (-138.00 to -90.00)" 274 1 274 53 parsed_2knb 1
56 "64. H 68 Phi -105.00 +/- 28.00 (-133.00 to -77.00)" 279 1 279 53 parsed_2knb 1
57 "65. I 69 Phi -110.00 +/- 32.00 (-142.00 to -78.00)" 284 1 284 53 parsed_2knb 1
58 "66. V 70 Phi -123.00 +/- 20.00 (-143.00 to -103.00)" 289 1 289 54 parsed_2knb 1
59 "67. Q 71 Phi -111.00 +/- 46.00 (-157.00 to -65.00)" 294 1 294 53 parsed_2knb 1
60 "68. R 72 Phi -118.00 +/- 38.00 (-156.00 to -80.00)" 299 1 299 53 parsed_2knb 1
61 "69. P 73 Phi -66.00 +/- 12.00 (-78.00 to -54.00)" 304 1 304 51 parsed_2knb 1
62 "70. Q 74 Phi -97.00 +/- 54.00 (-151.00 to -43.00)" 309 1 309 52 parsed_2knb 1
63 "71. R 75 Phi -78.00 +/- 32.00 (-110.00 to -46.00)" 314 1 314 52 parsed_2knb 1
64 "72. I 2 Psi 136.00 +/- 18.00 (118.00 to 154.00)" 320 1 320 50 parsed_2knb 1
65 "73. V 3 Psi 148.00 +/- 30.00 (118.00 to 178.00)" 325 1 325 50 parsed_2knb 1
66 "74. F 4 Psi 123.00 +/- 14.00 (109.00 to 137.00)" 330 1 330 50 parsed_2knb 1
67 "75. V 5 Psi 130.00 +/- 30.00 (100.00 to 160.00)" 335 1 335 50 parsed_2knb 1
68 "76. R 6 Psi 122.00 +/- 12.00 (110.00 to 134.00)" 340 1 340 50 parsed_2knb 1
69 "77. F 7 Psi 120.00 +/- 22.00 (98.00 to 142.00)" 345 1 345 49 parsed_2knb 1
70 "78. S 10 Psi -19.00 +/- 32.00 (-51.00 to 13.00)" 353 1 353 50 parsed_2knb 1
71 "79. Y 11 Psi 140.00 +/- 52.00 (88.00 to 192.00)" 358 1 358 50 parsed_2knb 1
72 "80. F 13 Psi 135.00 +/- 48.00 (87.00 to 183.00)" 363 1 363 50 parsed_2knb 1
73 "81. P 14 Psi 146.00 +/- 18.00 (128.00 to 164.00)" 368 1 368 51 parsed_2knb 1
74 "82. V 15 Psi 135.00 +/- 28.00 (107.00 to 163.00)" 373 1 373 51 parsed_2knb 1
75 "83. E 16 Psi 134.00 +/- 32.00 (102.00 to 166.00)" 378 1 378 51 parsed_2knb 1
76 "84. V 17 Psi 156.00 +/- 24.00 (132.00 to 180.00)" 383 1 383 51 parsed_2knb 1
77 "85. D 18 Psi 168.00 +/- 16.00 (152.00 to 184.00)" 388 1 388 51 parsed_2knb 1
78 "86. S 19 Psi -24.00 +/- 18.00 (-42.00 to -6.00)" 393 1 393 50 parsed_2knb 1
79 "87. D 20 Psi 2.00 +/- 24.00 (-22.00 to 26.00)" 398 1 398 48 parsed_2knb 1
80 "88. T 21 Psi 132.00 +/- 18.00 (114.00 to 150.00)" 403 1 403 51 parsed_2knb 1
81 "89. S 22 Psi 142.00 +/- 30.00 (112.00 to 172.00)" 408 1 408 51 parsed_2knb 1
82 "90. I 23 Psi -17.00 +/- 20.00 (-37.00 to 3.00)" 413 1 413 49 parsed_2knb 1
83 "91. F 24 Psi -43.00 +/- 14.00 (-57.00 to -29.00)" 418 1 418 51 parsed_2knb 1
84 "92. Q 25 Psi -39.00 +/- 18.00 (-57.00 to -21.00)" 423 1 423 51 parsed_2knb 1
85 "93. L 26 Psi -42.00 +/- 10.00 (-52.00 to -32.00)" 428 1 428 51 parsed_2knb 1
86 "94. K 27 Psi -40.00 +/- 10.00 (-50.00 to -30.00)" 433 1 433 51 parsed_2knb 1
87 "95. E 28 Psi -44.00 +/- 12.00 (-56.00 to -32.00)" 438 1 438 51 parsed_2knb 1
88 "96. V 29 Psi -42.00 +/- 4.00 (-46.00 to -38.00)" 443 1 443 50 parsed_2knb 1
89 "97. V 30 Psi -44.00 +/- 12.00 (-56.00 to -32.00)" 448 1 448 51 parsed_2knb 1
90 "98. A 31 Psi -42.00 +/- 12.00 (-54.00 to -30.00)" 453 1 453 51 parsed_2knb 1
91 "99. K 32 Psi -38.00 +/- 30.00 (-68.00 to -8.00)" 458 1 458 50 parsed_2knb 1
92 "100. R 33 Psi -38.00 +/- 16.00 (-54.00 to -22.00)" 463 1 463 52 parsed_2knb 1
93 "101. Q 34 Psi -4.00 +/- 26.00 (-30.00 to 22.00)" 468 1 468 50 parsed_2knb 1
94 "102. G 35 Psi 21.00 +/- 28.00 (-7.00 to 49.00)" 473 1 473 49 parsed_2knb 1
95 "103. V 36 Psi 136.00 +/- 44.00 (92.00 to 180.00)" 478 1 478 51 parsed_2knb 1
96 "104. P 37 Psi 142.00 +/- 22.00 (120.00 to 164.00)" 483 1 483 52 parsed_2knb 1
97 "105. A 38 Psi -30.00 +/- 22.00 (-52.00 to -8.00)" 488 1 488 51 parsed_2knb 1
98 "106. D 39 Psi -18.00 +/- 36.00 (-54.00 to 18.00)" 493 1 493 51 parsed_2knb 1
99 "107. Q 40 Psi -10.00 +/- 38.00 (-48.00 to 28.00)" 498 1 498 51 parsed_2knb 1
100 "108. L 41 Psi 149.00 +/- 20.00 (129.00 to 169.00)" 503 1 503 52 parsed_2knb 1
101 "109. R 42 Psi 141.00 +/- 22.00 (119.00 to 163.00)" 508 1 508 52 parsed_2knb 1
102 "110. V 43 Psi 122.00 +/- 18.00 (104.00 to 140.00)" 513 1 513 52 parsed_2knb 1
103 "111. I 44 Psi 129.00 +/- 16.00 (113.00 to 145.00)" 518 1 518 52 parsed_2knb 1
104 "112. F 45 Psi 122.00 +/- 18.00 (104.00 to 140.00)" 523 1 523 52 parsed_2knb 1
105 "113. A 46 Psi 40.00 +/- 14.00 (26.00 to 54.00)" 528 1 528 49 parsed_2knb 1
106 "114. G 47 Psi 4.00 +/- 24.00 (-20.00 to 28.00)" 533 1 533 49 parsed_2knb 1
107 "115. K 48 Psi 154.00 +/- 32.00 (122.00 to 186.00)" 538 1 538 52 parsed_2knb 1
108 "116. E 49 Psi 128.00 +/- 24.00 (104.00 to 152.00)" 543 1 543 52 parsed_2knb 1
109 "117. L 50 Psi 145.00 +/- 44.00 (101.00 to 189.00)" 548 1 548 52 parsed_2knb 1
110 "118. Q 51 Psi 152.00 +/- 30.00 (122.00 to 182.00)" 553 1 553 52 parsed_2knb 1
111 "119. N 52 Psi -31.00 +/- 12.00 (-43.00 to -19.00)" 558 1 558 52 parsed_2knb 1
112 "120. H 53 Psi -14.00 +/- 38.00 (-52.00 to 24.00)" 563 1 563 51 parsed_2knb 1
113 "121. L 54 Psi 154.00 +/- 26.00 (128.00 to 180.00)" 568 1 568 52 parsed_2knb 1
114 "122. T 55 Psi 163.00 +/- 18.00 (145.00 to 181.00)" 573 1 573 52 parsed_2knb 1
115 "123. V 56 Psi -42.00 +/- 12.00 (-54.00 to -30.00)" 578 1 578 52 parsed_2knb 1
116 "132. S 65 Psi 153.00 +/- 20.00 (133.00 to 173.00)" 583 1 583 52 parsed_2knb 1
117 "133. I 66 Psi 125.00 +/- 24.00 (101.00 to 149.00)" 588 1 588 52 parsed_2knb 1
118 "134. V 67 Psi 130.00 +/- 18.00 (112.00 to 148.00)" 593 1 593 52 parsed_2knb 1
119 "135. H 68 Psi 127.00 +/- 18.00 (109.00 to 145.00)" 598 1 598 52 parsed_2knb 1
120 "136. I 69 Psi 123.00 +/- 30.00 (93.00 to 153.00)" 603 1 603 51 parsed_2knb 1
121 "137. V 70 Psi 150.00 +/- 28.00 (122.00 to 178.00)" 608 1 608 52 parsed_2knb 1
122 "138. Q 71 Psi 123.00 +/- 22.00 (101.00 to 145.00)" 613 1 613 52 parsed_2knb 1
123 "139. R 72 Psi 121.00 +/- 38.00 (83.00 to 159.00)" 618 1 618 51 parsed_2knb 1
124 "140. P 73 Psi 146.00 +/- 12.00 (134.00 to 158.00)" 623 1 623 52 parsed_2knb 1
125 "141. Q 74 Psi 133.00 +/- 36.00 (97.00 to 169.00)" 628 1 628 51 parsed_2knb 1
126 "142. R 75 Psi 123.00 +/- 32.00 (91.00 to 155.00)" 633 1 633 51 parsed_2knb 1
127 "143. P 73 omega 180.00 +/- 2.00, trans peptide bond" 638 1 638 55 parsed_2knb 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2knb
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -0.517 . . . . A 2 . N A 2 . HN parsed_2knb 1
2 . . . . . . . . . . . . . . . . -4.987 . . . . A 3 . N A 3 . HN parsed_2knb 1
3 . . . . . . . . . . . . . . . . -5.322 . . . . A 4 . N A 4 . HN parsed_2knb 1
4 . . . . . . . . . . . . . . . . -6.751 . . . . A 5 . N A 5 . HN parsed_2knb 1
5 . . . . . . . . . . . . . . . . -16.482 . . . . A 6 . N A 6 . HN parsed_2knb 1
6 . . . . . . . . . . . . . . . . -5.413 . . . . A 15 . N A 15 . HN parsed_2knb 1
7 . . . . . . . . . . . . . . . . -6.599 . . . . A 16 . N A 16 . HN parsed_2knb 1
8 . . . . . . . . . . . . . . . . -2.524 . . . . A 17 . N A 17 . HN parsed_2knb 1
9 . . . . . . . . . . . . . . . . 1.003 . . . . A 18 . N A 18 . HN parsed_2knb 1
10 . . . . . . . . . . . . . . . . 11.981 . . . . A 19 . N A 19 . HN parsed_2knb 1
11 . . . . . . . . . . . . . . . . 0.061 . . . . A 20 . N A 20 . HN parsed_2knb 1
12 . . . . . . . . . . . . . . . . -1.825 . . . . A 22 . N A 22 . HN parsed_2knb 1
13 . . . . . . . . . . . . . . . . -10.522 . . . . A 23 . N A 23 . HN parsed_2knb 1
14 . . . . . . . . . . . . . . . . -10.917 . . . . A 24 . N A 24 . HN parsed_2knb 1
15 . . . . . . . . . . . . . . . . -4.044 . . . . A 25 . N A 25 . HN parsed_2knb 1
16 . . . . . . . . . . . . . . . . -6.143 . . . . A 26 . N A 26 . HN parsed_2knb 1
17 . . . . . . . . . . . . . . . . -6.021 . . . . A 27 . N A 27 . HN parsed_2knb 1
18 . . . . . . . . . . . . . . . . -3.892 . . . . A 28 . N A 28 . HN parsed_2knb 1
19 . . . . . . . . . . . . . . . . -8.515 . . . . A 29 . N A 29 . HN parsed_2knb 1
20 . . . . . . . . . . . . . . . . -14.353 . . . . A 30 . N A 30 . HN parsed_2knb 1
21 . . . . . . . . . . . . . . . . -8.697 . . . . A 33 . N A 33 . HN parsed_2knb 1
22 . . . . . . . . . . . . . . . . -11.191 . . . . A 34 . N A 34 . HN parsed_2knb 1
23 . . . . . . . . . . . . . . . . 12.255 . . . . A 35 . N A 35 . HN parsed_2knb 1
24 . . . . . . . . . . . . . . . . 12.437 . . . . A 36 . N A 36 . HN parsed_2knb 1
25 . . . . . . . . . . . . . . . . 5.048 . . . . A 38 . N A 38 . HN parsed_2knb 1
26 . . . . . . . . . . . . . . . . -3.315 . . . . A 39 . N A 39 . HN parsed_2knb 1
27 . . . . . . . . . . . . . . . . -4.713 . . . . A 40 . N A 40 . HN parsed_2knb 1
28 . . . . . . . . . . . . . . . . -5.230 . . . . A 42 . N A 42 . HN parsed_2knb 1
29 . . . . . . . . . . . . . . . . -15.721 . . . . A 43 . N A 43 . HN parsed_2knb 1
30 . . . . . . . . . . . . . . . . -16.056 . . . . A 44 . N A 44 . HN parsed_2knb 1
31 . . . . . . . . . . . . . . . . -14.171 . . . . A 45 . N A 45 . HN parsed_2knb 1
32 . . . . . . . . . . . . . . . . -14.353 . . . . A 46 . N A 46 . HN parsed_2knb 1
33 . . . . . . . . . . . . . . . . -12.407 . . . . A 47 . N A 47 . HN parsed_2knb 1
34 . . . . . . . . . . . . . . . . -8.454 . . . . A 48 . N A 48 . HN parsed_2knb 1
35 . . . . . . . . . . . . . . . . 0.426 . . . . A 49 . N A 49 . HN parsed_2knb 1
36 . . . . . . . . . . . . . . . . -12.164 . . . . A 50 . N A 50 . HN parsed_2knb 1
37 . . . . . . . . . . . . . . . . -3.163 . . . . A 51 . N A 51 . HN parsed_2knb 1
38 . . . . . . . . . . . . . . . . 12.802 . . . . A 52 . N A 52 . HN parsed_2knb 1
39 . . . . . . . . . . . . . . . . 4.470 . . . . A 53 . N A 53 . HN parsed_2knb 1
40 . . . . . . . . . . . . . . . . 12.468 . . . . A 54 . N A 54 . HN parsed_2knb 1
41 . . . . . . . . . . . . . . . . -9.214 . . . . A 55 . N A 55 . HN parsed_2knb 1
42 . . . . . . . . . . . . . . . . -2.524 . . . . A 56 . N A 56 . HN parsed_2knb 1
43 . . . . . . . . . . . . . . . . 4.592 . . . . A 57 . N A 57 . HN parsed_2knb 1
44 . . . . . . . . . . . . . . . . -3.862 . . . . A 58 . N A 58 . HN parsed_2knb 1
45 . . . . . . . . . . . . . . . . 0.578 . . . . A 59 . N A 59 . HN parsed_2knb 1
46 . . . . . . . . . . . . . . . . 8.971 . . . . A 60 . N A 60 . HN parsed_2knb 1
47 . . . . . . . . . . . . . . . . -2.402 . . . . A 61 . N A 61 . HN parsed_2knb 1
48 . . . . . . . . . . . . . . . . 10.734 . . . . A 62 . N A 62 . HN parsed_2knb 1
49 . . . . . . . . . . . . . . . . 5.686 . . . . A 63 . N A 63 . HN parsed_2knb 1
50 . . . . . . . . . . . . . . . . -0.578 . . . . A 64 . N A 64 . HN parsed_2knb 1
51 . . . . . . . . . . . . . . . . -3.740 . . . . A 66 . N A 66 . HN parsed_2knb 1
52 . . . . . . . . . . . . . . . . -11.920 . . . . A 67 . N A 67 . HN parsed_2knb 1
53 . . . . . . . . . . . . . . . . -16.512 . . . . A 68 . N A 68 . HN parsed_2knb 1
54 . . . . . . . . . . . . . . . . -13.988 . . . . A 69 . N A 69 . HN parsed_2knb 1
55 . . . . . . . . . . . . . . . . -11.099 . . . . A 70 . N A 70 . HN parsed_2knb 1
56 . . . . . . . . . . . . . . . . -4.637 . . . . B 292 . N B 292 . HN parsed_2knb 1
57 . . . . . . . . . . . . . . . . -12.164 . . . . B 294 . N B 294 . HN parsed_2knb 1
58 . . . . . . . . . . . . . . . . -13.228 . . . . B 295 . N B 295 . HN parsed_2knb 1
59 . . . . . . . . . . . . . . . . -8.971 . . . . B 296 . N B 296 . HN parsed_2knb 1
60 . . . . . . . . . . . . . . . . 0.646 . . . . B 297 . N B 297 . HN parsed_2knb 1
61 . . . . . . . . . . . . . . . . -1.064 . . . . B 298 . N B 298 . HN parsed_2knb 1
62 . . . . . . . . . . . . . . . . 12.924 . . . . B 299 . N B 299 . HN parsed_2knb 1
63 . . . . . . . . . . . . . . . . 16.611 . . . . B 300 . N B 300 . HN parsed_2knb 1
64 . . . . . . . . . . . . . . . . 5.702 . . . . B 301 . N B 301 . HN parsed_2knb 1
65 . . . . . . . . . . . . . . . . 8.819 . . . . B 302 . N B 302 . HN parsed_2knb 1
66 . . . . . . . . . . . . . . . . -8.819 . . . . B 304 . N B 304 . HN parsed_2knb 1
67 . . . . . . . . . . . . . . . . -6.576 . . . . B 305 . N B 305 . HN parsed_2knb 1
68 . . . . . . . . . . . . . . . . -2.319 . . . . B 306 . N B 306 . HN parsed_2knb 1
69 . . . . . . . . . . . . . . . . -7.564 . . . . B 307 . N B 307 . HN parsed_2knb 1
70 . . . . . . . . . . . . . . . . -6.158 . . . . B 308 . N B 308 . HN parsed_2knb 1
71 . . . . . . . . . . . . . . . . -13.760 . . . . B 309 . N B 309 . HN parsed_2knb 1
72 . . . . . . . . . . . . . . . . -3.345 . . . . B 310 . N B 310 . HN parsed_2knb 1
73 . . . . . . . . . . . . . . . . 13.722 . . . . B 311 . N B 311 . HN parsed_2knb 1
74 . . . . . . . . . . . . . . . . 12.886 . . . . B 312 . N B 312 . HN parsed_2knb 1
75 . . . . . . . . . . . . . . . . 5.892 . . . . B 313 . N B 313 . HN parsed_2knb 1
76 . . . . . . . . . . . . . . . . -7.070 . . . . B 314 . N B 314 . HN parsed_2knb 1
77 . . . . . . . . . . . . . . . . 6.310 . . . . B 315 . N B 315 . HN parsed_2knb 1
78 . . . . . . . . . . . . . . . . -3.193 . . . . B 316 . N B 316 . HN parsed_2knb 1
79 . . . . . . . . . . . . . . . . -5.816 . . . . B 317 . N B 317 . HN parsed_2knb 1
80 . . . . . . . . . . . . . . . . -15.357 . . . . B 318 . N B 318 . HN parsed_2knb 1
81 . . . . . . . . . . . . . . . . -4.865 . . . . B 319 . N B 319 . HN parsed_2knb 1
82 . . . . . . . . . . . . . . . . 6.462 . . . . B 320 . N B 320 . HN parsed_2knb 1
83 . . . . . . . . . . . . . . . . 10.035 . . . . B 321 . N B 321 . HN parsed_2knb 1
84 . . . . . . . . . . . . . . . . 7.526 . . . . B 322 . N B 322 . HN parsed_2knb 1
85 . . . . . . . . . . . . . . . . 7.564 . . . . B 323 . N B 323 . HN parsed_2knb 1
86 . . . . . . . . . . . . . . . . -0.532 . . . . B 324 . N B 324 . HN parsed_2knb 1
87 . . . . . . . . . . . . . . . . -3.345 . . . . B 325 . N B 325 . HN parsed_2knb 1
88 . . . . . . . . . . . . . . . . 0.760 . . . . B 326 . N B 326 . HN parsed_2knb 1
89 . . . . . . . . . . . . . . . . -0.038 . . . . B 327 . N B 327 . HN parsed_2knb 1
90 . . . . . . . . . . . . . . . . 6.082 . . . . B 328 . N B 328 . HN parsed_2knb 1
91 . . . . . . . . . . . . . . . . -7.678 . . . . B 329 . N B 329 . HN parsed_2knb 1
92 . . . . . . . . . . . . . . . . -9.541 . . . . B 330 . N B 330 . HN parsed_2knb 1
93 . . . . . . . . . . . . . . . . -12.924 . . . . B 331 . N B 331 . HN parsed_2knb 1
94 . . . . . . . . . . . . . . . . -10.491 . . . . B 332 . N B 332 . HN parsed_2knb 1
95 . . . . . . . . . . . . . . . . -12.202 . . . . B 334 . N B 334 . HN parsed_2knb 1
96 . . . . . . . . . . . . . . . . 0.228 . . . . B 335 . N B 335 . HN parsed_2knb 1
97 . . . . . . . . . . . . . . . . -9.845 . . . . B 336 . N B 336 . HN parsed_2knb 1
98 . . . . . . . . . . . . . . . . -11.860 . . . . B 337 . N B 337 . HN parsed_2knb 1
99 . . . . . . . . . . . . . . . . -9.123 . . . . B 338 . N B 338 . HN parsed_2knb 1
100 . . . . . . . . . . . . . . . . -3.193 . . . . B 339 . N B 339 . HN parsed_2knb 1
101 . . . . . . . . . . . . . . . . -5.436 . . . . B 342 . N B 342 . HN parsed_2knb 1
102 . . . . . . . . . . . . . . . . -6.120 . . . . B 344 . N B 344 . HN parsed_2knb 1
103 . . . . . . . . . . . . . . . . -7.222 . . . . B 345 . N B 345 . HN parsed_2knb 1
104 . . . . . . . . . . . . . . . . -1.254 . . . . B 346 . N B 346 . HN parsed_2knb 1
105 . . . . . . . . . . . . . . . . -9.503 . . . . B 347 . N B 347 . HN parsed_2knb 1
106 . . . . . . . . . . . . . . . . -12.962 . . . . B 348 . N B 348 . HN parsed_2knb 1
107 . . . . . . . . . . . . . . . . -13.912 . . . . B 349 . N B 349 . HN parsed_2knb 1
108 . . . . . . . . . . . . . . . . 16.497 . . . . B 350 . N B 350 . HN parsed_2knb 1
109 . . . . . . . . . . . . . . . . -14.657 . . . . A 7 . N A 7 . HN parsed_2knb 1
110 . . . . . . . . . . . . . . . . -7.024 . . . . A 8 . N A 8 . HN parsed_2knb 1
111 . . . . . . . . . . . . . . . . -8.788 . . . . A 11 . N A 11 . HN parsed_2knb 1
112 . . . . . . . . . . . . . . . . -8.393 . . . . A 12 . N A 12 . HN parsed_2knb 1
113 . . . . . . . . . . . . . . . . -7.420 . . . . A 21 . N A 21 . HN parsed_2knb 1
114 . . . . . . . . . . . . . . . . 7.177 . . . . A 41 . N A 41 . HN parsed_2knb 1
115 . . . . . . . . . . . . . . . . -9.275 . . . . A 71 . N A 71 . HN parsed_2knb 1
116 . . . . . . . . . . . . . . . . 11.464 . . . . A 72 . N A 72 . HN parsed_2knb 1
117 . . . . . . . . . . . . . . . . -3.223 . . . . A 74 . N A 74 . HN parsed_2knb 1
118 . . . . . . . . . . . . . . . . -7.389 . . . . A 75 . N A 75 . HN parsed_2knb 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2knb
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2knb 1
2 1 . . . parsed_2knb 1
3 1 . . . parsed_2knb 1
4 1 . . . parsed_2knb 1
5 1 . . . parsed_2knb 1
6 1 . . . parsed_2knb 1
7 1 . . . parsed_2knb 1
8 1 . . . parsed_2knb 1
9 1 . . . parsed_2knb 1
10 1 . . . parsed_2knb 1
11 1 . . . parsed_2knb 1
12 1 . . . parsed_2knb 1
13 1 . . . parsed_2knb 1
14 1 . . . parsed_2knb 1
15 1 . . . parsed_2knb 1
16 1 . . . parsed_2knb 1
17 1 . . . parsed_2knb 1
18 1 . . . parsed_2knb 1
19 1 . . . parsed_2knb 1
20 1 . . . parsed_2knb 1
21 1 . . . parsed_2knb 1
22 1 . . . parsed_2knb 1
23 1 . . . parsed_2knb 1
24 1 . . . parsed_2knb 1
25 1 . . . parsed_2knb 1
26 1 . . . parsed_2knb 1
27 1 . . . parsed_2knb 1
28 1 . . . parsed_2knb 1
29 1 . . . parsed_2knb 1
30 1 . . . parsed_2knb 1
31 1 . . . parsed_2knb 1
32 1 . . . parsed_2knb 1
33 1 . . . parsed_2knb 1
34 1 . . . parsed_2knb 1
35 1 . . . parsed_2knb 1
36 1 . . . parsed_2knb 1
37 1 . . . parsed_2knb 1
38 1 . . . parsed_2knb 1
39 1 . . . parsed_2knb 1
40 1 . . . parsed_2knb 1
41 1 . . . parsed_2knb 1
42 1 . . . parsed_2knb 1
43 1 . . . parsed_2knb 1
44 1 . . . parsed_2knb 1
45 1 . . . parsed_2knb 1
46 1 . . . parsed_2knb 1
47 1 . . . parsed_2knb 1
48 1 . . . parsed_2knb 1
49 1 . . . parsed_2knb 1
50 1 . . . parsed_2knb 1
51 1 . . . parsed_2knb 1
52 1 . . . parsed_2knb 1
53 1 . . . parsed_2knb 1
54 1 . . . parsed_2knb 1
55 1 . . . parsed_2knb 1
56 1 . . . parsed_2knb 1
57 1 . . . parsed_2knb 1
58 1 . . . parsed_2knb 1
59 1 . . . parsed_2knb 1
60 1 . . . parsed_2knb 1
61 1 . . . parsed_2knb 1
62 1 . . . parsed_2knb 1
63 1 . . . parsed_2knb 1
64 1 . . . parsed_2knb 1
65 1 . . . parsed_2knb 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 13 . HN parsed_2knb 1
1 1 2 . . . . . . . . A 5 . HN parsed_2knb 1
2 1 1 . . . . . . . . A 7 . HN parsed_2knb 1
2 1 2 . . . . . . . . A 6 . HA parsed_2knb 1
3 1 1 . . . . . . . . A 8 . HN parsed_2knb 1
3 1 2 . . . . . . . . A 7 . HA parsed_2knb 1
4 1 1 . . . . . . . . A 8 . HN parsed_2knb 1
4 1 2 . . . . . . . . A 8 . HA parsed_2knb 1
5 1 1 . . . . . . . . A 10 . HN parsed_2knb 1
5 1 2 . . . . . . . . A 9 . HB# parsed_2knb 1
6 1 1 . . . . . . . . A 11 . HN parsed_2knb 1
6 1 2 . . . . . . . . A 9 . HB# parsed_2knb 1
7 1 1 . . . . . . . . A 10 . HN parsed_2knb 1
7 1 2 . . . . . . . . A 9 . HA parsed_2knb 1
8 1 1 . . . . . . . . A 10 . HN parsed_2knb 1
8 1 2 . . . . . . . . A 10 . HA parsed_2knb 1
9 1 1 . . . . . . . . A 11 . HN parsed_2knb 1
9 1 2 . . . . . . . . A 10 . HA parsed_2knb 1
10 1 1 . . . . . . . . A 10 . HN parsed_2knb 1
10 1 2 . . . . . . . . A 10 . HB# parsed_2knb 1
11 1 1 . . . . . . . . A 11 . HN parsed_2knb 1
11 1 2 . . . . . . . . A 10 . HB# parsed_2knb 1
12 1 1 . . . . . . . . A 11 . HN parsed_2knb 1
12 1 2 . . . . . . . . A 10 . HN parsed_2knb 1
13 1 1 . . . . . . . . A 12 . HN parsed_2knb 1
13 1 2 . . . . . . . . A 11 . HA parsed_2knb 1
14 1 1 . . . . . . . . A 11 . HN parsed_2knb 1
14 1 2 . . . . . . . . A 11 . HB# parsed_2knb 1
15 1 1 . . . . . . . . A 12 . HN parsed_2knb 1
15 1 2 . . . . . . . . A 12 . HA# parsed_2knb 1
16 1 1 . . . . . . . . A 13 . HN parsed_2knb 1
16 1 2 . . . . . . . . A 12 . HA# parsed_2knb 1
17 1 1 . . . . . . . . A 71 . HN parsed_2knb 1
17 1 2 . . . . . . . . A 70 . HA parsed_2knb 1
18 1 1 . . . . . . . . A 72 . HN parsed_2knb 1
18 1 2 . . . . . . . . A 71 . HA parsed_2knb 1
19 1 1 . . . . . . . . A 71 . HN parsed_2knb 1
19 1 2 . . . . . . . . A 71 . HB# parsed_2knb 1
20 1 1 . . . . . . . . A 74 . HN parsed_2knb 1
20 1 2 . . . . . . . . A 73 . HA parsed_2knb 1
21 1 1 . . . . . . . . A 75 . HN parsed_2knb 1
21 1 2 . . . . . . . . A 74 . HA parsed_2knb 1
22 1 1 . . . . . . . . A 76 . HN parsed_2knb 1
22 1 2 . . . . . . . . A 75 . HA parsed_2knb 1
23 1 1 . . . . . . . . A 69 . HN parsed_2knb 1
23 1 2 . . . . . . . . A 7 . HA parsed_2knb 1
24 1 1 . . . . . . . . A 5 . HN parsed_2knb 1
24 1 2 . . . . . . . . A 13 . HN parsed_2knb 1
25 1 1 . . . . . . . . A 72 . HN parsed_2knb 1
25 1 2 . . . . . . . . A 41 . HA parsed_2knb 1
26 1 1 . . . . . . . . A 6 . HA parsed_2knb 1
26 1 2 . . . . . . . . A 12 . HA# parsed_2knb 1
27 1 1 . . . . . . . . A 8 . HA parsed_2knb 1
27 1 2 . . . . . . . . A 70 . HG1# parsed_2knb 1
28 1 1 . . . . . . . . A 13 . HA parsed_2knb 1
28 1 2 . . . . . . . . A 14 . HD2 parsed_2knb 1
29 1 1 . . . . . . . . A 13 . HA parsed_2knb 1
29 1 2 . . . . . . . . A 14 . HD3 parsed_2knb 1
30 1 1 . . . . . . . . A 71 . HA parsed_2knb 1
30 1 2 . . . . . . . . A 41 . HA parsed_2knb 1
31 1 1 . . . . . . . . A 71 . HA parsed_2knb 1
31 1 2 . . . . . . . . A 41 . HD1# parsed_2knb 1
32 1 1 . . . . . . . . A 72 . HA parsed_2knb 1
32 1 2 . . . . . . . . A 73 . HD2 parsed_2knb 1
33 1 1 . . . . . . . . A 72 . HA parsed_2knb 1
33 1 2 . . . . . . . . A 73 . HD3 parsed_2knb 1
34 1 1 . . . . . . . . A 6 . HB# parsed_2knb 1
34 1 2 . . . . . . . . A 68 . HA parsed_2knb 1
35 1 1 . . . . . . . . A 7 . HA parsed_2knb 1
35 1 2 . . . . . . . . A 69 . HB parsed_2knb 1
36 1 1 . . . . . . . . A 7 . HB# parsed_2knb 1
36 1 2 . . . . . . . . A 5 . HG1# parsed_2knb 1
37 1 1 . . . . . . . . A 8 . HA parsed_2knb 1
37 1 2 . . . . . . . . A 70 . HG2# parsed_2knb 1
38 1 1 . . . . . . . . A 10 . HB# parsed_2knb 1
38 1 2 . . . . . . . . A 11 . HB# parsed_2knb 1
39 1 1 . . . . . . . . A 71 . HB# parsed_2knb 1
39 1 2 . . . . . . . . A 41 . HD1# parsed_2knb 1
40 1 1 . . . . . . . . A 72 . HA parsed_2knb 1
40 1 2 . . . . . . . . A 73 . HB# parsed_2knb 1
41 1 1 . . . . . . . . A 8 . HA parsed_2knb 1
41 1 2 . . . . . . . . B 342 . HB# parsed_2knb 1
42 1 1 . . . . . . . . A 44 . HD1# parsed_2knb 1
42 1 2 . . . . . . . . B 299 . HB# parsed_2knb 1
43 1 1 . . . . . . . . A 44 . HD1# parsed_2knb 1
43 1 2 . . . . . . . . B 299 . HD# parsed_2knb 1
44 1 1 . . . . . . . . A 44 . HD1# parsed_2knb 1
44 1 2 . . . . . . . . B 343 . HD# parsed_2knb 1
45 1 1 . . . . . . . . A 44 . HD1# parsed_2knb 1
45 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
46 1 1 . . . . . . . . A 44 . HG2# parsed_2knb 1
46 1 2 . . . . . . . . B 299 . HB# parsed_2knb 1
47 1 1 . . . . . . . . A 44 . HG2# parsed_2knb 1
47 1 2 . . . . . . . . B 299 . HD# parsed_2knb 1
48 1 1 . . . . . . . . A 47 . HA# parsed_2knb 1
48 1 2 . . . . . . . . B 299 . HA parsed_2knb 1
49 1 1 . . . . . . . . A 47 . HA# parsed_2knb 1
49 1 2 . . . . . . . . B 299 . HD# parsed_2knb 1
50 1 1 . . . . . . . . A 68 . HB# parsed_2knb 1
50 1 2 . . . . . . . . B 299 . HE# parsed_2knb 1
51 1 1 . . . . . . . . A 70 . HG1# parsed_2knb 1
51 1 1 . . . . . . . . A 70 . HG2# parsed_2knb 1
51 1 2 . . . . . . . . B 342 . HB# parsed_2knb 1
52 1 1 . . . . . . . . A 70 . HG1# parsed_2knb 1
52 1 1 . . . . . . . . A 70 . HG2# parsed_2knb 1
52 1 2 . . . . . . . . B 343 . HA parsed_2knb 1
53 1 1 . . . . . . . . A 70 . HG1# parsed_2knb 1
53 1 1 . . . . . . . . A 70 . HG2# parsed_2knb 1
53 1 2 . . . . . . . . B 343 . HD# parsed_2knb 1
54 1 1 . . . . . . . . A 70 . HG1# parsed_2knb 1
54 1 1 . . . . . . . . A 70 . HG2# parsed_2knb 1
54 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
55 1 1 . . . . . . . . A 72 . HA parsed_2knb 1
55 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
56 1 1 . . . . . . . . A 72 . HA parsed_2knb 1
56 1 2 . . . . . . . . B 340 . HB# parsed_2knb 1
57 1 1 . . . . . . . . A 72 . HB# parsed_2knb 1
57 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
58 1 1 . . . . . . . . A 72 . HD# parsed_2knb 1
58 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
59 1 1 . . . . . . . . A 73 . HB# parsed_2knb 1
59 1 2 . . . . . . . . B 327 . HZ2 parsed_2knb 1
60 1 1 . . . . . . . . A 73 . HG# parsed_2knb 1
60 1 2 . . . . . . . . B 327 . HZ2 parsed_2knb 1
61 1 1 . . . . . . . . A 73 . HD# parsed_2knb 1
61 1 2 . . . . . . . . B 340 . HB# parsed_2knb 1
62 1 1 . . . . . . . . A 73 . HD# parsed_2knb 1
62 1 2 . . . . . . . . B 340 . HG# parsed_2knb 1
63 1 1 . . . . . . . . A 73 . HD# parsed_2knb 1
63 1 2 . . . . . . . . B 343 . HE# parsed_2knb 1
64 1 1 . . . . . . . . A 74 . HA parsed_2knb 1
64 1 2 . . . . . . . . B 327 . HZ2 parsed_2knb 1
65 1 1 . . . . . . . . A 75 . HD# parsed_2knb 1
65 1 2 . . . . . . . . B 323 . HD1# parsed_2knb 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
2 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
3 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
4 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
5 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
6 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
7 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
8 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
9 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
10 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
11 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
12 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
13 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
14 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
15 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
16 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
17 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
18 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
19 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
20 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
21 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
22 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
23 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
24 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
25 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
26 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
27 1 . . . . . 3.0 2.0 4.0 parsed_2knb 1
28 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
29 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
30 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
31 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
32 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
33 1 . . . . . 2.0 1.5 3.0 parsed_2knb 1
34 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
35 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
36 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
37 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
38 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
39 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
40 1 . . . . . 3.0 2.0 5.0 parsed_2knb 1
41 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
42 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
43 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
44 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
45 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
46 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
47 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
48 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
49 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
50 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
51 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
52 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
53 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
54 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
55 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
56 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
57 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
58 1 . . . . . 3.0 1.0 5.0 parsed_2knb 1
59 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
60 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
61 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
62 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
63 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
64 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
65 1 . . . . . 3.0 1.0 4.0 parsed_2knb 1
stop_
save_
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