NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
550076 |
2lri   |
18374 | cing | 2-parsed | STAR | dihedral angle | 80 |
data_2lri_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lri
_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_2lri 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lri
_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 2lri "Master copy" parsed_2lri
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lri
_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 2lri.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lri 1
1 2lri.mr . . XPLOR/CNS 2 distance NOE simple 3 parsed_2lri 1
1 2lri.mr . . XPLOR/CNS 3 distance NOE ambi 784 parsed_2lri 1
1 2lri.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 80 parsed_2lri 1
1 2lri.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lri 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lri
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lri 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lri 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lri 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lri 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lri 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lri 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lri 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2lri 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2lri 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2lri 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2lri 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2lri 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2lri 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.50 -60.50 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lri 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.50 -49.50 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lri 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 13.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lri 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.50 -94.50 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lri 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.50 -51.50 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lri 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -61.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lri 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.50 -78.50 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lri 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -44.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2lri 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -46.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lri 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.50 -97.50 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lri 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -55.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lri 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.93 -111.69 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lri 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.50 -40.50 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lri 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.25 35.25 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lri 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -80.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lri 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.00 -112.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2lri 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -47.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2lri 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -44.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2lri 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.50 -55.50 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lri 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -50.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2lri 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -43.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2lri 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -62.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lri 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.50 -54.50 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2lri 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.50 -49.50 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2lri 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -60.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2lri 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -86.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2lri 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.50 -73.50 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2lri 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.50 -41.50 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2lri 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.50 -59.50 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2lri 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.50 -56.50 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2lri 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.50 -76.50 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2lri 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -55.00 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2lri 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.50 -51.50 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2lri 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.50 -58.50 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2lri 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 166.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lri 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.50 186.50 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lri 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.50 166.50 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lri 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.50 157.50 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lri 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.50 -13.50 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lri 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.50 163.50 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lri 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 135.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2lri 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.50 165.50 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lri 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 156.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lri 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 146.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lri 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.59 -141.95 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lri 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 158.00 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lri 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.13 200.49 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2lri 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.00 179.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2lri 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.00 192.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2lri 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 160.00 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2lri 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -23.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lri 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -6.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lri 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.50 -23.50 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2lri 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.50 3.50 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2lri 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.50 171.50 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2lri 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.50 168.50 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2lri 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.00 163.00 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2lri 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 160.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2lri 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 177.00 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2lri 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.00 190.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2lri 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.50 -31.50 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2lri 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -27.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2lri 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -18.00 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2lri 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.50 19.50 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2lri 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 160.00 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2lri 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.50 161.50 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2lri 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 171.00 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2lri 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
;
J-COUPLING DERIVED
18 C J=13.73193
;
1 1 3 27 parsed_2lri 1
2 "24 V J=12.24367" 7 1 7 27 parsed_2lri 1
3 "29 H J=13.75391" 11 1 11 27 parsed_2lri 1
4 "30 C J=12.72012" 15 1 15 27 parsed_2lri 1
5 "31 A J=10.85413" 19 1 19 27 parsed_2lri 1
6 "39 H J=13.37341" 23 1 23 27 parsed_2lri 1
7 "40 P J=13.91954" 27 1 27 27 parsed_2lri 1
8 "45 S J=10.08385" 31 1 31 27 parsed_2lri 1
9 "49 T J=9.36665" 35 1 35 26 parsed_2lri 1
10 "59 D J=11.14062" 39 1 39 27 parsed_2lri 1
11 "60 V J=11.27782" 43 1 43 27 parsed_2lri 1
12 "65 V J=11.26151" 47 1 47 27 parsed_2lri 1
13 "66 E J=10.73690" 51 1 51 27 parsed_2lri 1
14
;
using 1.5 times the talos error!
10 A TALOS PHI = -77.00 +/- 11.00
;
53 84 55 41 parsed_2lri 1
15 "11 P TALOS PHI = -60.00 +/- 7.00" 59 1 59 41 parsed_2lri 1
16
;
12 G TALOS PHI = 79.00 +/- 19.00
ASSIGN (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA) (resid 12 and name C ) 1.00 79.00 28.50 2
13 A TALOS PHI = -74.00 +/- 58.00
;
63 1 67 41 parsed_2lri 1
17 "14 R TALOS PHI = -132.00 +/- 25.00" 71 1 71 42 parsed_2lri 1
18 "15 C TALOS PHI = -86.00 +/- 23.00" 75 1 75 41 parsed_2lri 1
19 "17 V TALOS PHI = -88.00 +/- 18.00" 79 1 79 41 parsed_2lri 1
20 "20 D TALOS PHI = -116.00 +/- 25.00" 83 1 83 42 parsed_2lri 1
21
;
21 G TALOS PHI = -88.00 +/- 21.00
ASSIGN (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA) (resid 21 and name C ) 1.00 -88.00 31.50 2
22 T TALOS PHI = -62.00 +/- 12.00
;
87 1 91 41 parsed_2lri 1
22
;
23 D TALOS PHI = -68.00 +/- 14.00
ASSIGN (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA) (resid 23 and name C ) 1.00 -68.00 21.00 2
24 V TALOS PHI = -100.00 +/- 14.00
ASSIGN (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA) (resid 24 and name C ) 1.00 -100.00 21.00 2
25 L TALOS PHI = -91.00 +/- 30.00
;
95 1 103 41 parsed_2lri 1
23 "26 R TALOS PHI = -117.00 +/- 13.00" 107 1 107 42 parsed_2lri 1
24 "27 C TALOS PHI = -76.00 +/- 14.00" 111 1 111 41 parsed_2lri 1
25
;
28 T TALOS PHI = -70.00 +/- 15.00
ASSIGN (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA) (resid 28 and name C ) 1.00 -70.00 22.50 2
29 H TALOS PHI = -87.00 +/- 24.00
ASSIGN (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA) (resid 29 and name C ) 1.00 -87.00 36.00 2
30 C TALOS PHI = -138.81 +/- 18.08
;
115 1 123 42 parsed_2lri 1
26 "31 A TALOS PHI = -72.00 +/- 21.00" 127 1 127 41 parsed_2lri 1
27 "32 A TALOS PHI = -75.60 +/- 73.00" 131 1 131 41 parsed_2lri 1
28 "33 A TALOS PHI = -110.00 +/- 20.00" 135 1 135 42 parsed_2lri 1
29 "34 F TALOS PHI = -142.00 +/- 20.00" 139 1 139 42 parsed_2lri 1
30 "35 H TALOS PHI = -89.00 +/- 28.00" 143 1 143 41 parsed_2lri 1
31 "36 W TALOS PHI = -56.00 +/- 8.00" 147 1 147 41 parsed_2lri 1
32 "37 R TALOS PHI = -66.00 +/- 7.00" 151 1 151 41 parsed_2lri 1
33 "38 C TALOS PHI = -71.00 +/- 14.00" 155 1 155 41 parsed_2lri 1
34
;
39 H TALOS PHI = -90.00 +/- 19.00
ASSIGN (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA) (resid 39 and name C ) 1.00 -90.00 28.50 2
40 F TALOS PHI = -126.00 +/- 25.00
ASSIGN (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA) (resid 40 and name C ) 1.00 -126.00 37.50 2
41 P TALOS PHI = -64.00 +/- 11.00
ASSIGN (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA) (resid 41 and name C ) 1.00 -64.00 16.50 2
42 A TALOS PHI = -64.00 +/- 14.00
;
159 1 171 41 parsed_2lri 1
35
;
43 G TALOS PHI = -79.00 +/- 14.00
ASSIGN (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA) (resid 43 and name C ) 1.00 -79.00 21.00 2
44 T TALOS PHI = -101.00 +/- 26.00
;
175 1 179 42 parsed_2lri 1
36
;
45 S TALOS PHI = -66.00 +/- 78.00
ASSIGN (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA) (resid 45 and name C ) 1.00 -66.00 117.00 2
46 R TALOS PHI = -89.00 +/- 23.00
;
183 1 187 41 parsed_2lri 1
37 "47 P TALOS PHI = -60.00 +/- 7.00" 191 1 191 41 parsed_2lri 1
38
;
48 G TALOS PHI = 71.00 +/- 17.00
ASSIGN (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA) (resid 48 and name C ) 1.00 71.00 25.50 2
49 T TALOS PHI = -103.00 +/- 25.00
ASSIGN (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA) (resid 49 and name C ) 1.00 -103.00 37.50 2
50 G TALOS PHI = 78.00 +/- 23.00
ASSIGN (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA) (resid 50 and name C ) 1.00 78.00 34.50 2
51 L TALOS PHI = -75.00 +/- 10.00
;
195 1 207 41 parsed_2lri 1
39 "52 R TALOS PHI = -125.00 +/- 26.00" 211 1 211 42 parsed_2lri 1
40 "53 C TALOS PHI = -87.00 +/- 9.00" 215 1 215 41 parsed_2lri 1
41 "54 R TALOS PHI = -61.00 +/- 13.00" 219 1 219 41 parsed_2lri 1
42 "55 S TALOS PHI = -64.00 +/- 3.00" 223 1 223 41 parsed_2lri 1
43 "56 C TALOS PHI = -64.00 +/- 5.00" 227 1 227 41 parsed_2lri 1
44 "57 S TALOS PHI = -93.00 +/- 11.00" 231 1 231 41 parsed_2lri 1
45
;
58 G TALOS PHI = 89.00 +/- 12.00
ASSIGN (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA) (resid 58 and name C ) 1.00 89.00 18.00 2
60 V TALOS PHI = -94.00 +/- 27.00
ASSIGN (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA) (resid 60 and name C ) 1.00 -94.00 40.50 2
61 T TALOS PHI = -88.00 +/- 22.00
;
235 1 243 41 parsed_2lri 1
46 "62 P TALOS PHI = -68.00 +/- 11.00" 247 1 247 41 parsed_2lri 1
47 "63 A TALOS PHI = -84.00 +/- 17.00" 251 1 251 41 parsed_2lri 1
48
;
using 1.5 times the talos error!
10 A TALOS PSI = -77.00 +/- 11.00
;
255 1 257 41 parsed_2lri 1
49
;
11 P TALOS PSI = -60.00 +/- 7.00
ASSIGN (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C) (resid 12 and name N ) 1.00 144.00 18.00 2
12 G TALOS PSI = 79.00 +/- 19.00
ASSIGN (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C) (resid 13 and name N ) 1.00 3.00 42.00 2
13 A TALOS PSI = -74.00 +/- 58.00
;
261 1 269 41 parsed_2lri 1
50 "14 R TALOS PSI = -132.00 +/- 25.00" 273 1 273 42 parsed_2lri 1
51 "15 C TALOS PSI = -86.00 +/- 23.00" 277 1 277 41 parsed_2lri 1
52 "17 V TALOS PSI = -88.00 +/- 18.00" 281 1 281 41 parsed_2lri 1
53 "20 D TALOS PSI = -116.00 +/- 25.00" 285 1 285 42 parsed_2lri 1
54
;
21 G TALOS PSI = -88.00 +/- 21.00
ASSIGN (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C) (resid 22 and name N ) 1.00 131.00 33.00 2
22 T TALOS PSI = -62.00 +/- 12.00
;
289 1 293 41 parsed_2lri 1
55
;
23 D TALOS PSI = -68.00 +/- 14.00
ASSIGN (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C) (resid 24 and name N ) 1.00 -30.00 12.00 2
24 V TALOS PSI = -100.00 +/- 14.00
ASSIGN (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C) (resid 25 and name N ) 1.00 -4.00 10.50 2
25 L TALOS PSI = -91.00 +/- 30.00
;
297 1 305 41 parsed_2lri 1
56 "26 R TALOS PSI = -117.00 +/- 13.00" 309 1 309 42 parsed_2lri 1
57 "27 C TALOS PSI = -76.00 +/- 14.00" 313 1 313 41 parsed_2lri 1
58
;
28 T TALOS PSI = -70.00 +/- 15.00
ASSIGN (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C) (resid 29 and name N ) 1.00 -14.00 21.00 2
29 H TALOS PSI = -87.00 +/- 24.00
ASSIGN (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C) (resid 30 and name N ) 1.00 -31.00 16.50 2
30C TALOS PSI = -166.77 +/- 16.55
;
317 1 325 41 parsed_2lri 1
59 "31 A TALOS PSI = -72.00 +/- 21.00" 329 1 329 41 parsed_2lri 1
60 "32 A TALOS PSI = 145 +/- 36.79" 333 1 333 38 parsed_2lri 1
61 "33 A TALOS PSI = -110.00 +/- 20.00" 337 1 337 42 parsed_2lri 1
62 "34 F TALOS PSI = -142.00 +/- 20.00" 341 1 341 42 parsed_2lri 1
63 "35 H TALOS PSI = -89.00 +/- 28.00" 345 1 345 41 parsed_2lri 1
64 "36 W TALOS PSI = -56.00 +/- 8.00" 349 1 349 41 parsed_2lri 1
65 "37 R TALOS PSI = -66.00 +/- 7.00" 353 1 353 41 parsed_2lri 1
66 "38 C TALOS PSI = -71.00 +/- 14.00" 357 1 357 41 parsed_2lri 1
67
;
39 H TALOS PSI = -90.00 +/- 19.00
ASSIGN (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C) (resid 40 and name N ) 1.00 -29.00 27.00 2
40 F TALOS PSI = -126.00 +/- 25.00
ASSIGN (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C) (resid 41 and name N ) 1.00 100.00 57.00 2
41 P TALOS PSI = -64.00 +/- 11.00
ASSIGN (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C) (resid 42 and name N ) 1.00 149.00 15.00 2
42 A TALOS PSI = -64.00 +/- 14.00
;
361 1 373 41 parsed_2lri 1
68
;
43 G TALOS PSI = -79.00 +/- 14.00
ASSIGN (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C) (resid 44 and name N ) 1.00 -18.00 28.50 2
44 T TALOS PSI = -101.00 +/- 26.00
;
377 1 381 42 parsed_2lri 1
69
;
45 S TALOS PSI = -66.00 +/- 78.00
ASSIGN (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C) (resid 46 and name N ) 1.00 157.00 55.50 2
46 R TALOS PSI = -89.00 +/- 23.00
;
385 1 389 41 parsed_2lri 1
70 "47 P TALOS PSI = -60.00 +/- 7.00" 393 1 393 41 parsed_2lri 1
71
;
48 G TALOS PSI = 71.00 +/- 17.00
ASSIGN (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C) (resid 49 and name N ) 1.00 17.00 40.50 2
49 T TALOS PSI = -103.00 +/- 25.00
ASSIGN (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C) (resid 50 and name N ) 1.00 148.00 45.00 2
50 G TALOS PSI = 78.00 +/- 23.00
ASSIGN (resid 50 and name N ) (resid 50 and name CA )
(resid 50 and name C) (resid 51 and name N ) 1.00 9.00 39.00 2
51 L TALOS PSI = -75.00 +/- 10.00
;
397 1 409 41 parsed_2lri 1
72 "52 R TALOS PSI = -125.00 +/- 26.00" 413 1 413 42 parsed_2lri 1
73 "53 C TALOS PSI = -87.00 +/- 9.00" 417 1 417 41 parsed_2lri 1
74 "54 R TALOS PSI = -61.00 +/- 13.00" 421 1 421 41 parsed_2lri 1
75 "55 S TALOS PSI = -64.00 +/- 3.00" 425 1 425 41 parsed_2lri 1
76 "56 C TALOS PSI = -64.00 +/- 5.00" 429 1 429 41 parsed_2lri 1
77 "57 S TALOS PSI = -93.00 +/- 11.00" 433 1 433 41 parsed_2lri 1
78
;
58 G TALOS PSI = 89.00 +/- 12.00
ASSIGN (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C) (resid 59 and name N ) 1.00 11.00 16.50 2
60 V TALOS PSI = -94.00 +/- 27.00
ASSIGN (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name C) (resid 61 and name N ) 1.00 140.00 25.50 2
61 T TALOS PSI = -88.00 +/- 22.00
;
437 1 445 41 parsed_2lri 1
79 "62 P TALOS PSI = -68.00 +/- 11.00" 449 1 449 41 parsed_2lri 1
80 "63 A TALOS PSI = -84.00 +/- 17.00" 453 1 453 41 parsed_2lri 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 12:22:19 AM GMT (wattos1)