NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
34636 |
1k45   |
5181 | cing | 2-parsed | STAR | dihedral angle | 73 |
data_1k45_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1k45
_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_1k45 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1k45
_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 1k45 "Master copy" parsed_1k45
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1k45
_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 1k45.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 2 distance NOE simple 1654 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 3 distance NOE ambi 16 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 130 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 177 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 73 parsed_1k45 1
1 1k45.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1k45 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1k45
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG1 parsed_1k45 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . N . 71 . CA . 71 . CB . 71 . CG1 parsed_1k45 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 121 . N . 121 . CA . 121 . CB . 121 . CG1 parsed_1k45 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 145 . N . 145 . CA . 145 . CB . 145 . CG1 parsed_1k45 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 157 . N . 157 . CA . 157 . CB . 157 . CG1 parsed_1k45 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 164 . N . 164 . CA . 164 . CB . 164 . CG1 parsed_1k45 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_1k45 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG1 parsed_1k45 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG1 parsed_1k45 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG1 parsed_1k45 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG1 parsed_1k45 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 59 . N . 59 . CA . 59 . CB . 59 . CG1 parsed_1k45 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG1 parsed_1k45 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 78 . N . 78 . CA . 78 . CB . 78 . CG1 parsed_1k45 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 80 . N . 80 . CA . 80 . CB . 80 . CG1 parsed_1k45 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 84 . N . 84 . CA . 84 . CB . 84 . CG1 parsed_1k45 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG1 parsed_1k45 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 101 . N . 101 . CA . 101 . CB . 101 . CG1 parsed_1k45 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 140 . N . 140 . CA . 140 . CB . 140 . CG1 parsed_1k45 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 153 . N . 153 . CA . 153 . CB . 153 . CG1 parsed_1k45 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 47 . N . 47 . CA . 47 . CB . 47 . OG1 parsed_1k45 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 60 . N . 60 . CA . 60 . CB . 60 . OG1 parsed_1k45 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . N . 74 . CA . 74 . CB . 74 . OG1 parsed_1k45 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 87 . N . 87 . CA . 87 . CB . 87 . OG1 parsed_1k45 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 89 . N . 89 . CA . 89 . CB . 89 . OG1 parsed_1k45 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 104 . N . 104 . CA . 104 . CB . 104 . OG1 parsed_1k45 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 123 . N . 123 . CA . 123 . CB . 123 . OG1 parsed_1k45 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 129 . N . 129 . CA . 129 . CB . 129 . OG1 parsed_1k45 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 156 . N . 156 . CA . 156 . CB . 156 . OG1 parsed_1k45 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . N . 42 . CA . 42 . CB . 42 . CG parsed_1k45 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 91 . N . 91 . CA . 91 . CB . 91 . CG parsed_1k45 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 103 . N . 103 . CA . 103 . CB . 103 . CG parsed_1k45 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 113 . N . 113 . CA . 113 . CB . 113 . CG parsed_1k45 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 158 . N . 158 . CA . 158 . CB . 158 . CG parsed_1k45 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_1k45 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG1 parsed_1k45 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . OG1 parsed_1k45 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1k45 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1k45 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_1k45 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_1k45 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_1k45 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG1 parsed_1k45 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG parsed_1k45 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG1 parsed_1k45 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_1k45 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1k45 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG1 parsed_1k45 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_1k45 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 76 . N . 76 . CA . 76 . CB . 76 . CG parsed_1k45 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 79 . N . 79 . CA . 79 . CB . 79 . CG parsed_1k45 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 86 . N . 86 . CA . 86 . CB . 86 . CG parsed_1k45 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG1 parsed_1k45 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 108 . N . 108 . CA . 108 . CB . 108 . CG parsed_1k45 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 112 . N . 112 . CA . 112 . CB . 112 . CG parsed_1k45 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 120 . N . 120 . CA . 120 . CB . 120 . CG parsed_1k45 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 124 . N . 124 . CA . 124 . CB . 124 . CG parsed_1k45 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 125 . N . 125 . CA . 125 . CB . 125 . CG parsed_1k45 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 130 . N . 130 . CA . 130 . CB . 130 . CG parsed_1k45 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 131 . N . 131 . CA . 131 . CB . 131 . CG parsed_1k45 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 134 . N . 134 . CA . 134 . CB . 134 . CG1 parsed_1k45 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 138 . N . 138 . CA . 138 . CB . 138 . CG parsed_1k45 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 139 . N . 139 . CA . 139 . CB . 139 . OG1 parsed_1k45 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 142 . N . 142 . CA . 142 . CB . 142 . CG parsed_1k45 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 147 . N . 147 . CA . 147 . CB . 147 . CG parsed_1k45 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 149 . N . 149 . CA . 149 . CB . 149 . CG parsed_1k45 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 159 . N . 159 . CA . 159 . CB . 159 . CG1 parsed_1k45 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 162 . N . 162 . CA . 162 . CB . 162 . CG parsed_1k45 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 110 . N . 110 . CA . 110 . CB . 110 . CG parsed_1k45 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 29 . N . 29 . CA . 29 . CB . 29 . CG parsed_1k45 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG parsed_1k45 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 67 . N . 67 . CA . 67 . CB . 67 . CG parsed_1k45 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 69 . CA . 69 . CB . 69 . CG . 69 . CD1 parsed_1k45 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
;
cbm_chis.tbl
###### sidechain dihedrals
ISOLEUCINES
;
1 1 3 13 parsed_1k45 1
2 ILE 5 75 5 79 parsed_1k45 1
3 ILE 7 77 7 81 parsed_1k45 1
4
;
ILE
Next not included as found ha-gmethyl may be overlapped - CHECK BACK!
assign (resid 141 and name N) (resid 141 and name CA)
(resid 141 and name CB) (resid 141 and name CG1) 1.0 60.0 30.0 2 !ILE
;
9 79 12 83 parsed_1k45 1
5 ILE 14 79 14 83 parsed_1k45 1
6 ILE 16 79 16 83 parsed_1k45 1
7
;
ILE
VALINES
;
18 79 20 9 parsed_1k45 1
8 VAL 22 78 22 82 parsed_1k45 1
9 VAL 24 78 24 82 parsed_1k45 1
10 VAL 26 78 26 82 parsed_1k45 1
11 VAL 28 78 28 82 parsed_1k45 1
12 VAL 30 78 30 82 parsed_1k45 1
13 VAL 32 78 32 82 parsed_1k45 1
14 VAL 34 78 34 82 parsed_1k45 1
15 VAL 36 78 36 82 parsed_1k45 1
16 VAL 38 78 38 82 parsed_1k45 1
17 VAL 40 78 40 82 parsed_1k45 1
18 VAL 42 80 42 84 parsed_1k45 1
19 VAL 44 80 44 84 parsed_1k45 1
20 VAL 46 80 46 84 parsed_1k45 1
21
;
VAL
THREONINES
THR 37 struggling to fit to 60, therefore removed. stu 4/5/01
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name CB) (resid 37 and name OG1) 1.0 60.0 30.0 2 !THR
;
48 80 53 82 parsed_1k45 1
22 THR 55 77 55 81 parsed_1k45 1
23 THR 57 78 57 82 parsed_1k45 1
24 THR 59 78 59 82 parsed_1k45 1
25 THR 61 78 61 82 parsed_1k45 1
26 THR 63 78 63 82 parsed_1k45 1
27
;
THR
THR 122 struggling to fit to 60, therefore removed. stu 4/5/01
assign (resid 122 and name N) (resid 122 and name CA)
(resid 122 and name CB) (resid 122 and name OG1) 1.0 60.0 30.0 2 !THR
;
65 79 68 84 parsed_1k45 1
28 THR 70 79 70 83 parsed_1k45 1
29 THR 72 80 72 84 parsed_1k45 1
30
;
THR
AMX
;
74 80 76 5 parsed_1k45 1
31 PHE 78 77 78 81 parsed_1k45 1
32 TRP 80 77 80 81 parsed_1k45 1
33 PHE 82 79 82 83 parsed_1k45 1
34
;
TYR
PHE 128 removed as struggling to fit to 60, stu 4/5/01.
Need to check new 3d noesy for this residue so that position of ring can be defined.
seems to be too exposed on the surface of the molecule at the moment but very few noes currently to this residue.
assign (resid 128 and name N) (resid 128 and name CA)
(resid 128 and name CB) (resid 128 and name CG) 1.0 -60.0 30.0 2 !PHE
;
84 79 89 84 parsed_1k45 1
35
;
TYR
new chi constraints added 04/05/01
;
91 79 93 36 parsed_1k45 1
36 LEU 95 75 95 79 parsed_1k45 1
37 VAL 97 75 97 79 parsed_1k45 1
38 THR 99 78 99 82 parsed_1k45 1
39 LEU 101 76 101 80 parsed_1k45 1
40 GLU 103 76 103 80 parsed_1k45 1
41 GLU 105 77 105 81 parsed_1k45 1
42 LEU 107 77 107 81 parsed_1k45 1
43 ASN 109 77 109 81 parsed_1k45 1
44 VAL 111 78 111 82 parsed_1k45 1
45 GLU 113 77 113 81 parsed_1k45 1
46 LEU 115 78 115 82 parsed_1k45 1
47 LEU 117 77 117 81 parsed_1k45 1
48 ASN 119 76 119 80 parsed_1k45 1
49 VAL 121 78 121 82 parsed_1k45 1
50 ASP 123 77 123 81 parsed_1k45 1
51 PHE 125 76 125 80 parsed_1k45 1
52 ASN 127 77 127 81 parsed_1k45 1
53 TYR 129 77 129 81 parsed_1k45 1
54 ILE 131 77 131 81 parsed_1k45 1
55 GLN 133 79 133 83 parsed_1k45 1
56 GLU 135 79 135 83 parsed_1k45 1
57 GLN 137 79 137 83 parsed_1k45 1
58 GLU 139 79 139 83 parsed_1k45 1
59 TRP 141 79 141 83 parsed_1k45 1
60 PHE 143 78 143 82 parsed_1k45 1
61 GLU 145 79 145 83 parsed_1k45 1
62 VAL 147 80 147 84 parsed_1k45 1
63 GLU 149 79 149 83 parsed_1k45 1
64 THR 151 79 151 83 parsed_1k45 1
65 ARG 153 78 153 82 parsed_1k45 1
66 PHE 155 79 155 83 parsed_1k45 1
67 TYR 157 79 157 83 parsed_1k45 1
68 ILE 159 79 159 83 parsed_1k45 1
69
;
LEU
added 18/05/01
;
161 79 162 16 parsed_1k45 1
70
;
PHE
added 01/06/01
;
164 79 165 16 parsed_1k45 1
71 ASP 167 79 167 83 parsed_1k45 1
72 TRP 169 79 169 83 parsed_1k45 1
73
;
ASN
added 04/06/01
;
171 79 172 16 parsed_1k45 1
74 TRP 174 79 174 83 parsed_1k45 1
stop_
save_
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