NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
556466 |
2m0g   |
18808 | cing | 2-parsed | STAR | entry | full | 166 |
data_2m0g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m0g
_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_2m0g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m0g
_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 2m0g "Master copy" parsed_2m0g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m0g
_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 2m0g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m0g 1
1 2m0g.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_2m0g 1
1 2m0g.mr . . XPLOR/CNS 3 distance NOE ambi 36 parsed_2m0g 1
1 2m0g.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m0g 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_2m0g
_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 SPLICING 25-OCT-12 2M0G
*TITLE STRUCTURE, PHOSPHORYLATION AND U2AF65 BINDING OF THE NTERMINAL DOMAIN
*TITLE 2 OF SPLICING FACTOR 1 DURING 3 SPLICE SITE RECOGNITION
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SPLICING FACTOR 1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 1-145;
*COMPND 5 SYNONYM: MAMMALIAN BRANCH POINT-BINDING PROTEIN, BBP, MBBP,
*COMPND 6 TRANSCRIPTION FACTOR ZFM1, ZINC FINGER GENE IN MEN1 LOCUS, ZINC
*COMPND 7 FINGER PROTEIN 162;
*COMPND 8 ENGINEERED: YES;
*COMPND 9 MUTATION: YES;
*COMPND 10 MOL_ID: 2;
*COMPND 11 MOLECULE: SPLICING FACTOR U2AF 65 KDA SUBUNIT;
*COMPND 12 CHAIN: B;
*COMPND 13 FRAGMENT: RRM 3 DOMAIN RESIDUES 372-475;
*COMPND 14 SYNONYM: U2 AUXILIARY FACTOR 65 KDA SUBUNIT, HU2AF(65), HU2AF65, U2
*COMPND 15 SNRNP AUXILIARY FACTOR LARGE SUBUNIT;
*COMPND 16 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: SF1, ZFM1, ZNF162;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PETM11;
*SOURCE 9 MOL_ID: 2;
*SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 11 ORGANISM_COMMON: HUMAN;
*SOURCE 12 ORGANISM_TAXID: 9606;
*SOURCE 13 GENE: U2AF2, U2AF65;
*SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 16 EXPRESSION_SYSTEM_VECTOR: PETM11
*KEYWDS SPLICEOSOME ASSEMBLY, SF1, UHM, ULM, SPLICING
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR T.MADL, M.SATTLER, Y.ZHANG, I.BAGDIUL, T.KERN, H.KANG, P.ZOU,
*AUTHOR 2 N.MAEUSBACHER, S.A.SIEBER, A.KRAEMER
*REVDAT 1 30-JAN-13 2M0G 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m0g
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.30 -42.92 . free 7 . C free 8 . N free 8 . CA free 8 . C parsed_2m0g 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.82 -52.30 . free 8 . C free 9 . N free 9 . CA free 9 . C parsed_2m0g 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.74 -40.62 . free 11 . C free 12 . N free 12 . CA free 12 . C parsed_2m0g 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.54 -51.92 . free 19 . C free 20 . N free 20 . CA free 20 . C parsed_2m0g 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.72 -55.94 . free 31 . C free 32 . N free 32 . CA free 32 . C parsed_2m0g 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.61 -40.55 . free 32 . C free 33 . N free 33 . CA free 33 . C parsed_2m0g 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.10 -44.34 . free 33 . C free 34 . N free 34 . CA free 34 . C parsed_2m0g 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.99 -44.41 . free 36 . C free 37 . N free 37 . CA free 37 . C parsed_2m0g 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.36 -54.78 . free 44 . C free 45 . N free 45 . CA free 45 . C parsed_2m0g 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.76 -49.32 . free 45 . C free 46 . N free 46 . CA free 46 . C parsed_2m0g 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.55 -52.13 . free 46 . C free 47 . N free 47 . CA free 47 . C parsed_2m0g 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.36 -54.24 . free 47 . C free 48 . N free 48 . CA free 48 . C parsed_2m0g 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.90 -56.46 . free 48 . C free 49 . N free 49 . CA free 49 . C parsed_2m0g 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -51.14 . free 49 . C free 50 . N free 50 . CA free 50 . C parsed_2m0g 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.16 -59.62 . free 50 . C free 51 . N free 51 . CA free 51 . C parsed_2m0g 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.57 -54.01 . free 51 . C free 52 . N free 52 . CA free 52 . C parsed_2m0g 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.58 -51.92 . free 52 . C free 53 . N free 53 . CA free 53 . C parsed_2m0g 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.55 -54.99 . free 53 . C free 54 . N free 54 . CA free 54 . C parsed_2m0g 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.82 -48.20 . free 54 . C free 55 . N free 55 . CA free 55 . C parsed_2m0g 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.92 -56.82 . free 55 . C free 56 . N free 56 . CA free 56 . C parsed_2m0g 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.82 -25.96 . free 56 . C free 57 . N free 57 . CA free 57 . C parsed_2m0g 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.93 -51.45 . free 57 . C free 58 . N free 58 . CA free 58 . C parsed_2m0g 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.91 -49.51 . free 58 . C free 59 . N free 59 . CA free 59 . C parsed_2m0g 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.78 -52.22 . free 64 . C free 65 . N free 65 . CA free 65 . C parsed_2m0g 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.10 -52.42 . free 65 . C free 66 . N free 66 . CA free 66 . C parsed_2m0g 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.02 -43.86 . free 69 . C free 70 . N free 70 . CA free 70 . C parsed_2m0g 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.65 -57.03 . free 71 . C free 72 . N free 72 . CA free 72 . C parsed_2m0g 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.70 -51.18 . free 72 . C free 73 . N free 73 . CA free 73 . C parsed_2m0g 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.06 -49.10 . free 80 . C free 81 . N free 81 . CA free 81 . C parsed_2m0g 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.76 -54.44 . free 85 . C free 86 . N free 86 . CA free 86 . C parsed_2m0g 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.55 -37.75 . free 87 . C free 88 . N free 88 . CA free 88 . C parsed_2m0g 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.11 -47.87 . free 88 . C free 89 . N free 89 . CA free 89 . C parsed_2m0g 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.04 -65.06 . free 96 . C free 97 . N free 97 . CA free 97 . C parsed_2m0g 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.26 -50.78 . free 100 . C free 101 . N free 101 . CA free 101 . C parsed_2m0g 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.95 -55.35 . free 101 . C free 102 . N free 102 . CA free 102 . C parsed_2m0g 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.81 -51.57 . free 102 . C free 103 . N free 103 . CA free 103 . C parsed_2m0g 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.44 -58.48 . free 103 . C free 104 . N free 104 . CA free 104 . C parsed_2m0g 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.46 -53.44 . free 104 . C free 105 . N free 105 . CA free 105 . C parsed_2m0g 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.03 -54.03 . free 105 . C free 106 . N free 106 . CA free 106 . C parsed_2m0g 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.27 -48.75 . free 109 . C free 110 . N free 110 . CA free 110 . C parsed_2m0g 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.27 -51.01 . free 110 . C free 111 . N free 111 . CA free 111 . C parsed_2m0g 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.67 -30.23 . free 111 . C free 112 . N free 112 . CA free 112 . C parsed_2m0g 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.96 -56.28 . free 112 . C free 113 . N free 113 . CA free 113 . C parsed_2m0g 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.22 -52.02 . free 113 . C free 114 . N free 114 . CA free 114 . C parsed_2m0g 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.90 -58.52 . free 114 . C free 115 . N free 115 . CA free 115 . C parsed_2m0g 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.59 -52.03 . free 115 . C free 116 . N free 116 . CA free 116 . C parsed_2m0g 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.91 -53.27 . free 116 . C free 117 . N free 117 . CA free 117 . C parsed_2m0g 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.19 -51.93 . free 117 . C free 118 . N free 118 . CA free 118 . C parsed_2m0g 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.90 -54.86 . free 118 . C free 119 . N free 119 . CA free 119 . C parsed_2m0g 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.98 -81.58 . free 119 . C free 120 . N free 120 . CA free 120 . C parsed_2m0g 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.06 -46.64 . free 120 . C free 121 . N free 121 . CA free 121 . C parsed_2m0g 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.57 -73.17 . free 121 . C free 122 . N free 122 . CA free 122 . C parsed_2m0g 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.22 -38.64 . free 122 . C free 123 . N free 123 . CA free 123 . C parsed_2m0g 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.31 -59.21 . free 123 . C free 124 . N free 124 . CA free 124 . C parsed_2m0g 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.53 -54.41 . free 124 . C free 125 . N free 125 . CA free 125 . C parsed_2m0g 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.44 -47.02 . free 125 . C free 126 . N free 126 . CA free 126 . C parsed_2m0g 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.12 -44.10 . free 126 . C free 127 . N free 127 . CA free 127 . C parsed_2m0g 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.22 -74.66 . free 127 . C free 128 . N free 128 . CA free 128 . C parsed_2m0g 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.39 -37.03 . free 128 . C free 129 . N free 129 . CA free 129 . C parsed_2m0g 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.91 -52.85 . free 129 . C free 130 . N free 130 . CA free 130 . C parsed_2m0g 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.04 -44.78 . free 139 . C free 140 . N free 140 . CA free 140 . C parsed_2m0g 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.87 -38.37 . free 140 . C free 141 . N free 141 . CA free 141 . C parsed_2m0g 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.82 -40.70 . free 141 . C free 142 . N free 142 . CA free 142 . C parsed_2m0g 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.72 -46.08 . free 142 . C free 143 . N free 143 . CA free 143 . C parsed_2m0g 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.14 -61.30 . free 143 . C free 144 . N free 144 . CA free 144 . C parsed_2m0g 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.30 158.64 . free 8 . N free 8 . CA free 8 . C free 9 . N parsed_2m0g 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.10 162.54 . free 9 . N free 9 . CA free 9 . C free 10 . N parsed_2m0g 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.20 167.40 . free 12 . N free 12 . CA free 12 . C free 13 . N parsed_2m0g 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.96 178.34 . free 20 . N free 20 . CA free 20 . C free 21 . N parsed_2m0g 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.88 143.98 . free 32 . N free 32 . CA free 32 . C free 33 . N parsed_2m0g 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.08 174.90 . free 33 . N free 33 . CA free 33 . C free 34 . N parsed_2m0g 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.33 159.91 . free 34 . N free 34 . CA free 34 . C free 35 . N parsed_2m0g 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.96 166.58 . free 37 . N free 37 . CA free 37 . C free 38 . N parsed_2m0g 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.93 178.37 . free 45 . N free 45 . CA free 45 . C free 46 . N parsed_2m0g 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.68 -25.64 . free 46 . N free 46 . CA free 46 . C free 47 . N parsed_2m0g 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.90 -32.94 . free 47 . N free 47 . CA free 47 . C free 48 . N parsed_2m0g 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.44 -25.38 . free 48 . N free 48 . CA free 48 . C free 49 . N parsed_2m0g 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.99 -32.91 . free 49 . N free 49 . CA free 49 . C free 50 . N parsed_2m0g 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.84 -17.18 . free 50 . N free 50 . CA free 50 . C free 51 . N parsed_2m0g 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.45 -33.41 . free 51 . N free 51 . CA free 51 . C free 52 . N parsed_2m0g 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.79 -34.49 . free 52 . N free 52 . CA free 52 . C free 53 . N parsed_2m0g 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.38 -26.78 . free 53 . N free 53 . CA free 53 . C free 54 . N parsed_2m0g 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.53 -29.23 . free 54 . N free 54 . CA free 54 . C free 55 . N parsed_2m0g 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.36 -28.06 . free 55 . N free 55 . CA free 55 . C free 56 . N parsed_2m0g 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.63 -23.81 . free 56 . N free 56 . CA free 56 . C free 57 . N parsed_2m0g 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.50 -19.04 . free 57 . N free 57 . CA free 57 . C free 58 . N parsed_2m0g 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.74 -25.32 . free 58 . N free 58 . CA free 58 . C free 59 . N parsed_2m0g 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.43 -17.77 . free 59 . N free 59 . CA free 59 . C free 60 . N parsed_2m0g 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.72 -21.12 . free 65 . N free 65 . CA free 65 . C free 66 . N parsed_2m0g 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.82 -0.50 . free 66 . N free 66 . CA free 66 . C free 67 . N parsed_2m0g 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.62 29.40 . free 70 . N free 70 . CA free 70 . C free 71 . N parsed_2m0g 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.43 170.67 . free 72 . N free 72 . CA free 72 . C free 73 . N parsed_2m0g 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.21 170.45 . free 73 . N free 73 . CA free 73 . C free 74 . N parsed_2m0g 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.30 159.46 . free 81 . N free 81 . CA free 81 . C free 82 . N parsed_2m0g 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.55 169.45 . free 86 . N free 86 . CA free 86 . C free 87 . N parsed_2m0g 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.09 206.59 . free 88 . N free 88 . CA free 88 . C free 89 . N parsed_2m0g 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.43 -6.11 . free 89 . N free 89 . CA free 89 . C free 90 . N parsed_2m0g 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.76 198.18 . free 97 . N free 97 . CA free 97 . C free 98 . N parsed_2m0g 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -33.14 . free 101 . N free 101 . CA free 101 . C free 102 . N parsed_2m0g 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.10 -25.90 . free 102 . N free 102 . CA free 102 . C free 103 . N parsed_2m0g 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.59 -18.89 . free 103 . N free 103 . CA free 103 . C free 104 . N parsed_2m0g 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.50 -33.54 . free 104 . N free 104 . CA free 104 . C free 105 . N parsed_2m0g 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.78 -29.62 . free 105 . N free 105 . CA free 105 . C free 106 . N parsed_2m0g 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.66 -22.34 . free 106 . N free 106 . CA free 106 . C free 107 . N parsed_2m0g 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.77 -22.61 . free 110 . N free 110 . CA free 110 . C free 111 . N parsed_2m0g 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.50 -29.48 . free 111 . N free 111 . CA free 111 . C free 112 . N parsed_2m0g 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.54 -18.46 . free 112 . N free 112 . CA free 112 . C free 113 . N parsed_2m0g 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.56 -38.14 . free 113 . N free 113 . CA free 113 . C free 114 . N parsed_2m0g 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.11 -28.41 . free 114 . N free 114 . CA free 114 . C free 115 . N parsed_2m0g 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.36 -33.68 . free 115 . N free 115 . CA free 115 . C free 116 . N parsed_2m0g 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.30 -27.44 . free 116 . N free 116 . CA free 116 . C free 117 . N parsed_2m0g 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.44 -8.88 . free 117 . N free 117 . CA free 117 . C free 118 . N parsed_2m0g 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.76 23.20 . free 118 . N free 118 . CA free 118 . C free 119 . N parsed_2m0g 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.12 -4.44 . free 119 . N free 119 . CA free 119 . C free 120 . N parsed_2m0g 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.65 152.27 . free 120 . N free 120 . CA free 120 . C free 121 . N parsed_2m0g 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.10 -8.84 . free 121 . N free 121 . CA free 121 . C free 122 . N parsed_2m0g 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.98 11.64 . free 122 . N free 122 . CA free 122 . C free 123 . N parsed_2m0g 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.28 153.50 . free 123 . N free 123 . CA free 123 . C free 124 . N parsed_2m0g 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.81 157.03 . free 124 . N free 124 . CA free 124 . C free 125 . N parsed_2m0g 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.27 173.87 . free 125 . N free 125 . CA free 125 . C free 126 . N parsed_2m0g 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.60 158.78 . free 126 . N free 126 . CA free 126 . C free 127 . N parsed_2m0g 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.45 1.03 . free 127 . N free 127 . CA free 127 . C free 128 . N parsed_2m0g 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.96 34.48 . free 128 . N free 128 . CA free 128 . C free 129 . N parsed_2m0g 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.07 149.07 . free 129 . N free 129 . CA free 129 . C free 130 . N parsed_2m0g 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.95 138.31 . free 130 . N free 130 . CA free 130 . C free 131 . N parsed_2m0g 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.17 156.93 . free 140 . N free 140 . CA free 140 . C free 141 . N parsed_2m0g 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.12 172.38 . free 141 . N free 141 . CA free 141 . C free 142 . N parsed_2m0g 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.74 168.26 . free 142 . N free 142 . CA free 142 . C free 143 . N parsed_2m0g 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.03 158.33 . free 143 . N free 143 . CA free 143 . C free 144 . N parsed_2m0g 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.33 163.47 . free 144 . N free 144 . CA free 144 . C free 145 . N parsed_2m0g 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. T 8 Phi -85.11 +/- 42.19 (-127.30 to -42.92)" 1 1 1 50 parsed_2m0g 1
2 "2. P 9 Phi -71.06 +/- 18.76 (-89.81 to -52.30)" 6 1 6 49 parsed_2m0g 1
3 "3. F 12 Phi -75.68 +/- 35.06 (-110.74 to -40.62)" 11 1 11 51 parsed_2m0g 1
4 "4. S 20 Phi -95.23 +/- 43.31 (-138.54 to -51.92)" 16 1 16 51 parsed_2m0g 1
5 "5. V 32 Phi -91.33 +/- 35.39 (-126.73 to -55.94)" 21 1 21 51 parsed_2m0g 1
6 "6. I 33 Phi -92.08 +/- 51.53 (-143.61 to -40.55)" 26 1 26 51 parsed_2m0g 1
7 "7. P 34 Phi -60.72 +/- 16.38 (-77.10 to -44.33)" 31 1 31 50 parsed_2m0g 1
8 "8. P 37 Phi -63.70 +/- 19.29 (-83.00 to -44.41)" 36 1 36 50 parsed_2m0g 1
9 "9. T 45 Phi -86.57 +/- 31.79 (-118.36 to -54.77)" 41 1 41 51 parsed_2m0g 1
10 "10. R 46 Phi -60.04 +/- 10.72 (-70.76 to -49.32)" 46 1 46 51 parsed_2m0g 1
11 "11. E 47 Phi -61.84 +/- 9.71 (-71.55 to -52.13)" 51 1 51 50 parsed_2m0g 1
12 "12. Q 48 Phi -66.80 +/- 12.56 (-79.36 to -54.23)" 56 1 56 51 parsed_2m0g 1
13 "13. E 49 Phi -63.68 +/- 7.22 (-70.89 to -56.46)" 61 1 61 50 parsed_2m0g 1
14 "14. R 50 Phi -62.05 +/- 10.91 (-72.97 to -51.14)" 66 1 66 51 parsed_2m0g 1
15 "15. A 51 Phi -65.39 +/- 5.77 (-71.15 to -59.62)" 71 1 71 50 parsed_2m0g 1
16 "16. Y 52 Phi -63.29 +/- 9.28 (-72.57 to -54.00)" 76 1 76 50 parsed_2m0g 1
17 "17. I 53 Phi -67.75 +/- 15.83 (-83.58 to -51.92)" 81 1 81 51 parsed_2m0g 1
18 "18. V 54 Phi -65.27 +/- 10.28 (-75.55 to -54.99)" 86 1 86 51 parsed_2m0g 1
19 "19. Q 55 Phi -59.51 +/- 11.31 (-70.82 to -48.19)" 91 1 91 51 parsed_2m0g 1
20 "20. L 56 Phi -69.37 +/- 12.55 (-81.92 to -56.83)" 96 1 96 51 parsed_2m0g 1
21 "21. Q 57 Phi -64.89 +/- 38.93 (-103.82 to -25.96)" 101 1 101 52 parsed_2m0g 1
22 "22. I 58 Phi -64.69 +/- 13.24 (-77.93 to -51.44)" 106 1 106 51 parsed_2m0g 1
23 "23. E 59 Phi -62.21 +/- 12.70 (-74.91 to -49.52)" 111 1 111 51 parsed_2m0g 1
24 "24. L 65 Phi -61.50 +/- 9.28 (-70.79 to -52.22)" 116 1 116 50 parsed_2m0g 1
25 "25. R 66 Phi -69.26 +/- 16.84 (-86.09 to -52.42)" 121 1 121 51 parsed_2m0g 1
26 "26. L 70 Phi -86.44 +/- 42.58 (-129.02 to -43.87)" 126 1 126 52 parsed_2m0g 1
27 "27. I 72 Phi -93.84 +/- 36.81 (-130.65 to -57.04)" 131 1 131 52 parsed_2m0g 1
28 "28. P 73 Phi -70.44 +/- 19.26 (-89.70 to -51.19)" 136 1 136 51 parsed_2m0g 1
29 "29. P 81 Phi -69.08 +/- 19.98 (-89.06 to -49.10)" 141 1 141 51 parsed_2m0g 1
30 "30. I 86 Phi -99.10 +/- 44.66 (-143.76 to -54.44)" 146 1 146 52 parsed_2m0g 1
31 "31. N 88 Phi -93.15 +/- 55.40 (-148.55 to -37.74)" 151 1 151 52 parsed_2m0g 1
32 "32. S 89 Phi -60.99 +/- 13.12 (-74.10 to -47.87)" 156 1 156 51 parsed_2m0g 1
33 "33. R 97 Phi -112.05 +/- 46.99 (-159.05 to -65.06)" 161 1 161 53 parsed_2m0g 1
34 "34. T 101 Phi -59.52 +/- 8.74 (-68.27 to -50.78)" 166 1 166 51 parsed_2m0g 1
35 "35. R 102 Phi -62.15 +/- 6.80 (-68.95 to -55.34)" 171 1 171 51 parsed_2m0g 1
36 "36. K 103 Phi -63.19 +/- 11.62 (-74.81 to -51.57)" 176 1 176 52 parsed_2m0g 1
37 "37. K 104 Phi -63.96 +/- 5.48 (-69.44 to -58.48)" 181 1 181 51 parsed_2m0g 1
38 "38. L 105 Phi -62.95 +/- 9.51 (-72.46 to -53.44)" 186 1 186 51 parsed_2m0g 1
39 "39. E 106 Phi -65.53 +/- 11.50 (-77.03 to -54.03)" 191 1 191 52 parsed_2m0g 1
40 "40. H 110 Phi -62.51 +/- 13.76 (-76.27 to -48.74)" 196 1 196 52 parsed_2m0g 1
41 "41. N 111 Phi -65.14 +/- 14.13 (-79.27 to -51.01)" 201 1 201 52 parsed_2m0g 1
42 "42. L 112 Phi -67.45 +/- 37.22 (-104.66 to -30.23)" 206 1 206 53 parsed_2m0g 1
43 "43. I 113 Phi -63.12 +/- 6.84 (-69.96 to -56.27)" 211 1 211 51 parsed_2m0g 1
44 "44. T 114 Phi -63.12 +/- 11.10 (-74.22 to -52.02)" 216 1 216 52 parsed_2m0g 1
45 "45. E 115 Phi -67.71 +/- 9.19 (-76.90 to -58.51)" 221 1 221 51 parsed_2m0g 1
46 "46. M 116 Phi -61.31 +/- 9.28 (-70.58 to -52.03)" 226 1 226 51 parsed_2m0g 1
47 "47. V 117 Phi -66.59 +/- 13.32 (-79.90 to -53.27)" 231 1 231 52 parsed_2m0g 1
48 "48. A 118 Phi -70.06 +/- 18.13 (-88.19 to -51.93)" 236 1 236 52 parsed_2m0g 1
49 "49. L 119 Phi -79.88 +/- 25.02 (-104.90 to -54.86)" 241 1 241 53 parsed_2m0g 1
50 "50. N 120 Phi -125.28 +/- 43.70 (-168.98 to -81.58)" 246 1 246 54 parsed_2m0g 1
51 "51. P 121 Phi -64.85 +/- 18.21 (-83.05 to -46.64)" 251 1 251 52 parsed_2m0g 1
52 "52. D 122 Phi -90.37 +/- 17.20 (-107.57 to -73.17)" 256 1 256 53 parsed_2m0g 1
53 "53. F 123 Phi -88.43 +/- 49.79 (-138.22 to -38.64)" 261 1 261 53 parsed_2m0g 1
54 "54. K 124 Phi -94.76 +/- 35.55 (-130.32 to -59.21)" 266 1 266 53 parsed_2m0g 1
55 "55. P 125 Phi -70.97 +/- 16.56 (-87.52 to -54.41)" 271 1 271 52 parsed_2m0g 1
56 "56. P 126 Phi -64.23 +/- 17.21 (-81.43 to -47.02)" 276 1 276 52 parsed_2m0g 1
57 "57. A 127 Phi -60.61 +/- 16.51 (-77.12 to -44.10)" 281 1 281 52 parsed_2m0g 1
58 "58. D 128 Phi -92.44 +/- 17.78 (-110.22 to -74.66)" 286 1 286 53 parsed_2m0g 1
59 "59. Y 129 Phi -94.21 +/- 57.18 (-151.40 to -37.03)" 291 1 291 53 parsed_2m0g 1
60 "60. K 130 Phi -101.88 +/- 49.03 (-150.91 to -52.84)" 296 1 296 54 parsed_2m0g 1
61 "61. V 140 Phi -103.91 +/- 59.13 (-163.03 to -44.78)" 301 1 301 54 parsed_2m0g 1
62 "62. M 141 Phi -101.12 +/- 62.75 (-163.87 to -38.37)" 306 1 306 54 parsed_2m0g 1
63 "63. I 142 Phi -87.26 +/- 46.56 (-133.83 to -40.70)" 311 1 311 53 parsed_2m0g 1
64 "64. P 143 Phi -69.40 +/- 23.32 (-92.73 to -46.08)" 316 1 316 52 parsed_2m0g 1
65 "65. Q 144 Phi -96.22 +/- 34.92 (-131.14 to -61.30)" 321 1 321 53 parsed_2m0g 1
66 "66. T 8 Psi 130.47 +/- 28.17 (102.30 to 158.65)" 327 1 327 50 parsed_2m0g 1
67 "67. P 9 Psi 145.32 +/- 17.22 (128.10 to 162.54)" 332 1 332 50 parsed_2m0g 1
68 "68. F 12 Psi 139.80 +/- 27.60 (112.20 to 167.40)" 337 1 337 51 parsed_2m0g 1
69 "69. S 20 Psi 122.15 +/- 56.19 (65.96 to 178.34)" 342 1 342 50 parsed_2m0g 1
70 "70. V 32 Psi 118.43 +/- 25.55 (92.87 to 143.98)" 347 1 347 50 parsed_2m0g 1
71 "71. I 33 Psi 140.99 +/- 33.91 (107.08 to 174.89)" 352 1 352 51 parsed_2m0g 1
72 "72. P 34 Psi 139.12 +/- 20.79 (118.34 to 159.91)" 357 1 357 51 parsed_2m0g 1
73 "73. P 37 Psi 145.77 +/- 20.81 (124.96 to 166.59)" 362 1 362 51 parsed_2m0g 1
74 "74. T 45 Psi 162.65 +/- 15.72 (146.93 to 178.37)" 367 1 367 51 parsed_2m0g 1
75 "75. R 46 Psi -36.66 +/- 11.02 (-47.69 to -25.64)" 372 1 372 51 parsed_2m0g 1
76 "76. E 47 Psi -42.92 +/- 9.98 (-52.89 to -32.94)" 377 1 377 50 parsed_2m0g 1
77 "77. Q 48 Psi -37.91 +/- 12.53 (-50.44 to -25.37)" 382 1 382 51 parsed_2m0g 1
78 "78. E 49 Psi -44.45 +/- 11.54 (-55.98 to -32.91)" 387 1 387 51 parsed_2m0g 1
79 "79. R 50 Psi -40.01 +/- 22.83 (-62.84 to -17.17)" 392 1 392 51 parsed_2m0g 1
80 "80. A 51 Psi -38.93 +/- 5.52 (-44.45 to -33.42)" 397 1 397 50 parsed_2m0g 1
81 "81. Y 52 Psi -44.14 +/- 9.65 (-53.79 to -34.48)" 402 1 402 50 parsed_2m0g 1
82 "82. I 53 Psi -39.08 +/- 12.30 (-51.38 to -26.78)" 407 1 407 51 parsed_2m0g 1
83 "83. V 54 Psi -46.38 +/- 17.15 (-63.53 to -29.23)" 412 1 412 51 parsed_2m0g 1
84 "84. Q 55 Psi -42.71 +/- 14.65 (-57.36 to -28.06)" 417 1 417 51 parsed_2m0g 1
85 "85. L 56 Psi -38.72 +/- 14.91 (-53.63 to -23.80)" 422 1 422 51 parsed_2m0g 1
86 "86. Q 57 Psi -45.27 +/- 26.23 (-71.50 to -19.05)" 427 1 427 51 parsed_2m0g 1
87 "87. I 58 Psi -41.53 +/- 16.21 (-57.74 to -25.32)" 432 1 432 51 parsed_2m0g 1
88 "88. E 59 Psi -39.60 +/- 21.83 (-61.43 to -17.77)" 437 1 437 51 parsed_2m0g 1
89 "89. L 65 Psi -38.92 +/- 17.80 (-56.71 to -21.12)" 442 1 442 51 parsed_2m0g 1
90 "90. R 66 Psi -31.66 +/- 31.16 (-62.81 to -0.50)" 447 1 447 50 parsed_2m0g 1
91 "91. L 70 Psi -11.11 +/- 40.51 (-51.62 to 29.40)" 452 1 452 50 parsed_2m0g 1
92 "92. I 72 Psi 124.05 +/- 46.62 (77.42 to 170.67)" 457 1 457 50 parsed_2m0g 1
93 "93. P 73 Psi 148.33 +/- 22.12 (126.21 to 170.44)" 462 1 462 51 parsed_2m0g 1
94 "94. P 81 Psi 144.88 +/- 14.58 (130.30 to 159.46)" 467 1 467 51 parsed_2m0g 1
95 "95. I 86 Psi 128.50 +/- 40.95 (87.55 to 169.46)" 472 1 472 50 parsed_2m0g 1
96 "96. N 88 Psi 144.34 +/- 62.25 (82.09 to 206.60)" 477 1 477 50 parsed_2m0g 1
97 "97. S 89 Psi -28.77 +/- 22.66 (-51.43 to -6.11)" 482 1 482 50 parsed_2m0g 1
98 "98. R 97 Psi 143.97 +/- 54.21 (89.76 to 198.18)" 487 1 487 50 parsed_2m0g 1
99 "99. T 101 Psi -40.07 +/- 6.93 (-47.00 to -33.15)" 492 1 492 51 parsed_2m0g 1
100 "100. R 102 Psi -42.50 +/- 16.60 (-59.10 to -25.90)" 497 1 497 53 parsed_2m0g 1
101 "101. K 103 Psi -40.74 +/- 21.85 (-62.59 to -18.88)" 502 1 502 53 parsed_2m0g 1
102 "102. K 104 Psi -43.52 +/- 9.98 (-53.51 to -33.54)" 507 1 507 52 parsed_2m0g 1
103 "103. L 105 Psi -39.20 +/- 9.58 (-48.78 to -29.63)" 512 1 512 52 parsed_2m0g 1
104 "104. E 106 Psi -36.50 +/- 14.16 (-50.66 to -22.34)" 517 1 517 53 parsed_2m0g 1
105 "105. H 110 Psi -38.19 +/- 15.58 (-53.77 to -22.61)" 522 1 522 53 parsed_2m0g 1
106 "106. N 111 Psi -39.99 +/- 10.51 (-50.49 to -29.48)" 527 1 527 53 parsed_2m0g 1
107 "107. L 112 Psi -41.50 +/- 23.04 (-64.54 to -18.46)" 532 1 532 53 parsed_2m0g 1
108 "108. I 113 Psi -44.85 +/- 6.71 (-51.57 to -38.14)" 537 1 537 52 parsed_2m0g 1
109 "109. T 114 Psi -37.76 +/- 9.35 (-47.11 to -28.41)" 542 1 542 52 parsed_2m0g 1
110 "110. E 115 Psi -42.52 +/- 8.84 (-51.36 to -33.67)" 547 1 547 52 parsed_2m0g 1
111 "111. M 116 Psi -41.87 +/- 14.43 (-56.30 to -27.45)" 552 1 552 53 parsed_2m0g 1
112 "112. V 117 Psi -27.16 +/- 18.28 (-45.45 to -8.88)" 557 1 557 52 parsed_2m0g 1
113 "113. A 118 Psi -21.28 +/- 44.48 (-65.76 to 23.20)" 562 1 562 52 parsed_2m0g 1
114 "114. L 119 Psi -33.78 +/- 29.34 (-63.12 to -4.44)" 567 1 567 52 parsed_2m0g 1
115 "115. N 120 Psi 93.46 +/- 58.81 (34.65 to 152.27)" 572 1 572 51 parsed_2m0g 1
116 "116. P 121 Psi -20.97 +/- 12.13 (-33.10 to -8.84)" 577 1 577 52 parsed_2m0g 1
117 "117. D 122 Psi -3.17 +/- 14.81 (-17.97 to 11.64)" 582 1 582 51 parsed_2m0g 1
118 "118. F 123 Psi 128.89 +/- 24.61 (104.28 to 153.50)" 587 1 587 53 parsed_2m0g 1
119 "119. K 124 Psi 126.42 +/- 30.61 (95.81 to 157.03)" 592 1 592 52 parsed_2m0g 1
120 "120. P 125 Psi 154.57 +/- 19.30 (135.27 to 173.88)" 597 1 597 53 parsed_2m0g 1
121 "121. P 126 Psi 143.19 +/- 15.59 (127.59 to 158.78)" 602 1 602 53 parsed_2m0g 1
122 "122. A 127 Psi -23.71 +/- 24.74 (-48.45 to 1.03)" 607 1 607 51 parsed_2m0g 1
123 "123. D 128 Psi 4.26 +/- 30.22 (-25.95 to 34.48)" 612 1 612 50 parsed_2m0g 1
124 "124. Y 129 Psi 122.57 +/- 26.50 (96.07 to 149.07)" 617 1 617 52 parsed_2m0g 1
125 "125. K 130 Psi 111.13 +/- 27.18 (83.96 to 138.31)" 622 1 622 52 parsed_2m0g 1
126 "126. V 140 Psi 134.55 +/- 22.38 (112.17 to 156.92)" 627 1 627 53 parsed_2m0g 1
127 "127. M 141 Psi 122.75 +/- 49.63 (73.12 to 172.39)" 632 1 632 52 parsed_2m0g 1
128 "128. I 142 Psi 134.50 +/- 33.76 (100.74 to 168.26)" 637 1 637 53 parsed_2m0g 1
129 "129. P 143 Psi 145.18 +/- 13.15 (132.04 to 158.33)" 642 1 642 53 parsed_2m0g 1
130 "130. Q 144 Psi 132.40 +/- 31.07 (101.33 to 163.47)" 647 1 647 53 parsed_2m0g 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m0g
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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 2 . OR parsed_2m0g 1
1 2 . 3 . parsed_2m0g 1
1 3 . . . parsed_2m0g 1
2 1 . . . parsed_2m0g 1
3 1 . . . parsed_2m0g 1
4 1 . . . parsed_2m0g 1
5 1 . . . parsed_2m0g 1
6 1 2 . OR parsed_2m0g 1
6 2 . 3 . parsed_2m0g 1
6 3 . . . parsed_2m0g 1
7 1 . . . parsed_2m0g 1
8 1 . . . parsed_2m0g 1
9 1 . . . parsed_2m0g 1
10 1 2 . OR parsed_2m0g 1
10 2 . 3 . parsed_2m0g 1
10 3 . . . parsed_2m0g 1
11 1 . . . parsed_2m0g 1
12 1 . . . parsed_2m0g 1
13 1 2 . OR parsed_2m0g 1
13 2 . 3 . parsed_2m0g 1
13 3 . . . parsed_2m0g 1
14 1 2 . OR parsed_2m0g 1
14 2 . 3 . parsed_2m0g 1
14 3 . . . parsed_2m0g 1
15 1 2 . OR parsed_2m0g 1
15 2 . 3 . parsed_2m0g 1
15 3 . . . parsed_2m0g 1
16 1 2 . OR parsed_2m0g 1
16 2 . 3 . parsed_2m0g 1
16 3 . 4 . parsed_2m0g 1
16 4 . 5 . parsed_2m0g 1
16 5 . . . parsed_2m0g 1
17 1 . . . parsed_2m0g 1
18 1 . . . parsed_2m0g 1
19 1 . . . parsed_2m0g 1
20 1 . . . parsed_2m0g 1
21 1 . . . parsed_2m0g 1
22 1 . . . parsed_2m0g 1
23 1 . . . parsed_2m0g 1
24 1 . . . parsed_2m0g 1
25 1 . . . parsed_2m0g 1
26 1 . . . parsed_2m0g 1
27 1 . . . parsed_2m0g 1
28 1 . . . parsed_2m0g 1
29 1 . . . parsed_2m0g 1
30 1 . . . parsed_2m0g 1
31 1 . . . parsed_2m0g 1
32 1 . . . parsed_2m0g 1
33 1 . . . parsed_2m0g 1
34 1 . . . parsed_2m0g 1
35 1 . . . parsed_2m0g 1
36 1 . . . parsed_2m0g 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 2 1 . . . . . . . . free 38 . HG2* parsed_2m0g 1
1 2 2 . . . . . . . . free 458 . HG* parsed_2m0g 1
1 3 1 . . . . . . . . free 38 . HG2* parsed_2m0g 1
1 3 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
2 1 1 . . . . . . . . free 38 . HG2* parsed_2m0g 1
2 1 2 . . . . . . . . free 450 . HG* parsed_2m0g 1
3 1 1 . . . . . . . . free 39 . HG* parsed_2m0g 1
3 1 2 . . . . . . . . free 446 . HE* parsed_2m0g 1
4 1 1 . . . . . . . . free 40 . HN parsed_2m0g 1
4 1 2 . . . . . . . . free 372:475 . H* parsed_2m0g 1
5 1 1 . . . . . . . . free 40 . HN parsed_2m0g 1
5 1 2 . . . . . . . . free 462 . HD* parsed_2m0g 1
6 2 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
6 2 2 . . . . . . . . free 458 . HG* parsed_2m0g 1
6 3 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
6 3 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
7 1 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
7 1 2 . . . . . . . . free 462 . HG* parsed_2m0g 1
8 1 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
8 1 2 . . . . . . . . free 462 . HD* parsed_2m0g 1
9 1 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
9 1 2 . . . . . . . . free 462 . HE* parsed_2m0g 1
10 2 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
10 2 2 . . . . . . . . free 460 . HN parsed_2m0g 1
10 3 1 . . . . . . . . free 40 . HD1* parsed_2m0g 1
10 3 2 . . . . . . . . free 54 . HN parsed_2m0g 1
11 1 1 . . . . . . . . free 53 . HD1* parsed_2m0g 1
11 1 2 . . . . . . . . free 462 . HD* parsed_2m0g 1
12 1 1 . . . . . . . . free 53 . HD1* parsed_2m0g 1
12 1 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
13 2 1 . . . . . . . . free 53 . HD1* parsed_2m0g 1
13 2 2 . . . . . . . . free 458 . HG* parsed_2m0g 1
13 3 1 . . . . . . . . free 53 . HD1* parsed_2m0g 1
13 3 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
14 2 1 . . . . . . . . free 56 . HD1* parsed_2m0g 1
14 2 2 . . . . . . . . free 458 . HG* parsed_2m0g 1
14 3 1 . . . . . . . . free 56 . HD1* parsed_2m0g 1
14 3 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
15 2 1 . . . . . . . . free 56 . HD2* parsed_2m0g 1
15 2 2 . . . . . . . . free 458 . HG* parsed_2m0g 1
15 3 1 . . . . . . . . free 56 . HD2* parsed_2m0g 1
15 3 2 . . . . . . . . free 460 . HG* parsed_2m0g 1
16 2 1 . . . . . . . . free 381 . HE* parsed_2m0g 1
16 2 2 . . . . . . . . free 39 . HG* parsed_2m0g 1
16 3 1 . . . . . . . . free 381 . HE* parsed_2m0g 1
16 3 2 . . . . . . . . free 40 . HD* parsed_2m0g 1
16 4 1 . . . . . . . . free 381 . HE* parsed_2m0g 1
16 4 2 . . . . . . . . free 53 . HD* parsed_2m0g 1
16 5 1 . . . . . . . . free 381 . HE* parsed_2m0g 1
16 5 2 . . . . . . . . free 56 . HD* parsed_2m0g 1
17 1 1 . . . . . . . . free 450 . HG2* parsed_2m0g 1
17 1 2 . . . . . . . . free 39 . HG* parsed_2m0g 1
18 1 1 . . . . . . . . free 40 . HN parsed_2m0g 1
18 1 2 . . . . . . . . free 462 . HE* parsed_2m0g 1
19 1 1 . . . . . . . . free 57 . HE* parsed_2m0g 1
19 1 2 . . . . . . . . free 372:475 . H* parsed_2m0g 1
20 1 1 . . . . . . . . free 382 . HD* parsed_2m0g 1
20 1 2 . . . . . . . . free 1:145 . H* parsed_2m0g 1
21 1 1 . . . . . . . . free 456 . HD* parsed_2m0g 1
21 1 2 . . . . . . . . free 1:145 . H* parsed_2m0g 1
22 1 1 . . . . . . . . free 461 . HN parsed_2m0g 1
22 1 2 . . . . . . . . free 1:145 . H* parsed_2m0g 1
23 1 1 . . . . . . . . free 33 . HD* parsed_2m0g 1
23 1 2 . . . . . . . . free 35 . HN parsed_2m0g 1
24 1 1 . . . . . . . . free 35 . HN parsed_2m0g 1
24 1 2 . . . . . . . . free 36 . HN parsed_2m0g 1
25 1 1 . . . . . . . . free 38 . HN parsed_2m0g 1
25 1 2 . . . . . . . . free 39 . HG1* parsed_2m0g 1
26 1 1 . . . . . . . . free 38 . HN parsed_2m0g 1
26 1 2 . . . . . . . . free 39 . HG2* parsed_2m0g 1
27 1 1 . . . . . . . . free 40 . HD* parsed_2m0g 1
27 1 2 . . . . . . . . free 53 . HD* parsed_2m0g 1
28 1 1 . . . . . . . . free 40 . HD* parsed_2m0g 1
28 1 2 . . . . . . . . free 49 . HN parsed_2m0g 1
29 1 1 . . . . . . . . free 40 . HD* parsed_2m0g 1
29 1 2 . . . . . . . . free 53 . HN parsed_2m0g 1
30 1 1 . . . . . . . . free 43 . HN parsed_2m0g 1
30 1 2 . . . . . . . . free 44 . HD* parsed_2m0g 1
31 1 1 . . . . . . . . free 43 . HN parsed_2m0g 1
31 1 2 . . . . . . . . free 44 . HN parsed_2m0g 1
32 1 1 . . . . . . . . free 44 . HD* parsed_2m0g 1
32 1 2 . . . . . . . . free 48 . HN parsed_2m0g 1
33 1 1 . . . . . . . . free 45 . HN parsed_2m0g 1
33 1 2 . . . . . . . . free 44 . HD* parsed_2m0g 1
34 1 1 . . . . . . . . free 45 . HN parsed_2m0g 1
34 1 2 . . . . . . . . free 48 . HN parsed_2m0g 1
35 1 1 . . . . . . . . free 378 . HD* parsed_2m0g 1
35 1 2 . . . . . . . . free 446 . HE* parsed_2m0g 1
36 1 1 . . . . . . . . free 463 . HN parsed_2m0g 1
36 1 2 . . . . . . . . free 446 . HE* parsed_2m0g 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 2 . . . . . 4.0 0.8 4.0 parsed_2m0g 1
1 3 . . . . . 4.0 0.8 4.0 parsed_2m0g 1
2 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
3 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
4 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
5 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
6 2 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
6 3 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
7 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
8 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
9 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
10 2 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
10 3 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
11 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
12 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
13 2 . . . . . 4.0 -0.2 4.0 parsed_2m0g 1
13 3 . . . . . 4.0 -0.2 4.0 parsed_2m0g 1
14 2 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
14 3 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
15 2 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
15 3 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
16 2 . . . . . 5.0 1.8 5.0 parsed_2m0g 1
16 3 . . . . . 5.0 1.8 5.0 parsed_2m0g 1
16 4 . . . . . 5.0 1.8 5.0 parsed_2m0g 1
16 5 . . . . . 5.0 1.8 5.0 parsed_2m0g 1
17 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
18 1 . . . . . 5.0 5.0 99.0 parsed_2m0g 1
19 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
20 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
21 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
22 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
23 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
24 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
25 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
26 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
27 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
28 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
29 1 . . . . . 5.0 1.8 5.0 parsed_2m0g 1
30 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
31 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
32 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
33 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
34 1 . . . . . 6.0 1.8 6.0 parsed_2m0g 1
35 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
36 1 . . . . . 4.0 1.8 4.0 parsed_2m0g 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "strong NOE" 2 98 2 110 parsed_2m0g 1
2 "weak NOE" 3 114 3 124 parsed_2m0g 1
3 "strong NOE" 5 114 5 126 parsed_2m0g 1
4 "strong NOE" 7 117 7 129 parsed_2m0g 1
5 "weak NOE" 8 114 8 124 parsed_2m0g 1
6 "strong NOE" 10 98 10 110 parsed_2m0g 1
7 "weak NOE" 11 114 11 124 parsed_2m0g 1
8 "strong NOE" 12 114 12 126 parsed_2m0g 1
9 "weak NOE" 13 114 13 124 parsed_2m0g 1
10 "weak NOE" 15 98 15 108 parsed_2m0g 1
11 "weak NOE" 17 114 17 124 parsed_2m0g 1
12 "strong NOE" 18 114 18 126 parsed_2m0g 1
13 "strong NOE" 20 98 20 110 parsed_2m0g 1
14 "strong NOE" 23 98 23 110 parsed_2m0g 1
15 "strong NOE" 25 98 25 110 parsed_2m0g 1
16 "intermediate NOE" 30 98 30 116 parsed_2m0g 1
17 "weak NOE" 31 114 31 124 parsed_2m0g 1
18 "no NOE" 33 114 33 122 parsed_2m0g 1
19 intra-NOEs 40 1 40 13 parsed_2m0g 1
20 "weak NOE" 41 115 41 125 parsed_2m0g 1
21 strong 42 115 42 123 parsed_2m0g 1
22 strong 43 115 43 123 parsed_2m0g 1
23 strong 44 115 44 123 parsed_2m0g 1
24 strong 45 115 45 123 parsed_2m0g 1
25 weak 46 115 46 121 parsed_2m0g 1
26 intermediate 47 115 47 129 parsed_2m0g 1
27 strong 48 115 48 123 parsed_2m0g 1
28 strong 49 115 49 123 parsed_2m0g 1
29 weak 50 115 50 121 parsed_2m0g 1
30 strong 51 115 51 123 parsed_2m0g 1
31 weak 52 115 52 121 parsed_2m0g 1
32 strong 53 115 53 123 parsed_2m0g 1
33 strong 54 115 54 123 parsed_2m0g 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:20:28 PM GMT (wattos1)