NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532937 |
2kli   |
cing | 2-parsed | STAR | dipolar coupling | 237 |
data_2kli_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kli
_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_2kli 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kli
_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 2kli "Master copy" parsed_2kli
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kli
_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 2kli.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 2 distance NOE simple 1118 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 237 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kli 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kli
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 0.1 -0.9 1.1 . . . 32 . CA . 32 . HA parsed_2kli 1
2 . . . . . . . . . . . . . . . . -3.6 -4.6 -2.6 . . . 33 . CA . 33 . HA parsed_2kli 1
3 . . . . . . . . . . . . . . . . 7.1 6.1 8.1 . . . 35 . CA . 35 . HA parsed_2kli 1
4 . . . . . . . . . . . . . . . . -6.7 -7.7 -5.7 . . . 36 . CA . 36 . HA parsed_2kli 1
5 . . . . . . . . . . . . . . . . -3.2 -4.2 -2.2 . . . 37 . CA . 37 . HA parsed_2kli 1
6 . . . . . . . . . . . . . . . . -6.7 -7.7 -5.7 . . . 44 . CA . 44 . HA parsed_2kli 1
7 . . . . . . . . . . . . . . . . -2.7 -3.7 -1.7 . . . 45 . CA . 45 . HA parsed_2kli 1
8 . . . . . . . . . . . . . . . . 5.3 4.3 6.3 . . . 46 . CA . 46 . HA parsed_2kli 1
9 . . . . . . . . . . . . . . . . -19.4 -20.4 -18.4 . . . 48 . CA . 48 . HA parsed_2kli 1
10 . . . . . . . . . . . . . . . . 11.7 10.7 12.7 . . . 49 . CA . 49 . HA parsed_2kli 1
11 . . . . . . . . . . . . . . . . 9.0 8.0 10.0 . . . 51 . CA . 51 . HA parsed_2kli 1
12 . . . . . . . . . . . . . . . . 8.4 7.4 9.4 . . . 52 . CA . 52 . HA parsed_2kli 1
13 . . . . . . . . . . . . . . . . 12.5 11.5 13.5 . . . 54 . CA . 54 . HA parsed_2kli 1
14 . . . . . . . . . . . . . . . . 11.1 10.1 12.1 . . . 55 . CA . 55 . HA parsed_2kli 1
15 . . . . . . . . . . . . . . . . -5.0 -6.0 -4.0 . . . 56 . CA . 56 . HA parsed_2kli 1
16 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 58 . CA . 58 . HA parsed_2kli 1
17 . . . . . . . . . . . . . . . . 3.7 2.7 4.7 . . . 59 . CA . 59 . HA parsed_2kli 1
18 . . . . . . . . . . . . . . . . -16.3 -17.3 -15.3 . . . 61 . CA . 61 . HA parsed_2kli 1
19 . . . . . . . . . . . . . . . . -3.4 -4.4 -2.4 . . . 63 . CA . 63 . HA parsed_2kli 1
20 . . . . . . . . . . . . . . . . 10.5 9.5 11.5 . . . 64 . CA . 64 . HA parsed_2kli 1
21 . . . . . . . . . . . . . . . . 8.7 7.7 9.7 . . . 65 . CA . 65 . HA parsed_2kli 1
22 . . . . . . . . . . . . . . . . 18.0 17.0 19.0 . . . 66 . CA . 66 . HA parsed_2kli 1
23 . . . . . . . . . . . . . . . . 17.1 16.1 18.1 . . . 67 . CA . 67 . HA parsed_2kli 1
24 . . . . . . . . . . . . . . . . 14.7 13.7 15.7 . . . 68 . CA . 68 . HA parsed_2kli 1
25 . . . . . . . . . . . . . . . . 16.3 15.3 17.3 . . . 69 . CA . 69 . HA parsed_2kli 1
26 . . . . . . . . . . . . . . . . -11.4 -12.4 -10.4 . . . 72 . CA . 72 . HA parsed_2kli 1
27 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . . 73 . CA . 73 . HA parsed_2kli 1
28 . . . . . . . . . . . . . . . . 13.8 12.8 14.8 . . . 75 . CA . 75 . HA parsed_2kli 1
29 . . . . . . . . . . . . . . . . 9.9 8.9 10.9 . . . 76 . CA . 76 . HA parsed_2kli 1
30 . . . . . . . . . . . . . . . . -0.8 -1.8 0.2 . . . 77 . CA . 77 . HA parsed_2kli 1
31 . . . . . . . . . . . . . . . . 13.3 12.3 14.3 . . . 78 . CA . 78 . HA parsed_2kli 1
32 . . . . . . . . . . . . . . . . 5.1 4.1 6.1 . . . 80 . CA . 80 . HA parsed_2kli 1
33 . . . . . . . . . . . . . . . . 2.8 1.8 3.8 . . . 81 . CA . 81 . HA parsed_2kli 1
34 . . . . . . . . . . . . . . . . -10.7 -11.7 -9.7 . . . 86 . CA . 86 . HA parsed_2kli 1
35 . . . . . . . . . . . . . . . . -1.0 -2.0 0.0 . . . 90 . CA . 90 . HA parsed_2kli 1
36 . . . . . . . . . . . . . . . . -2.5 -3.5 -1.5 . . . 91 . CA . 91 . HA parsed_2kli 1
37 . . . . . . . . . . . . . . . . 6.2 5.2 7.2 . . . 92 . CA . 92 . HA parsed_2kli 1
38 . . . . . . . . . . . . . . . . -16.8 -17.8 -15.8 . . . 93 . CA . 93 . HA parsed_2kli 1
39 . . . . . . . . . . . . . . . . 13.3 12.3 14.3 . . . 94 . CA . 94 . HA parsed_2kli 1
40 . . . . . . . . . . . . . . . . -7.0 -8.0 -6.0 . . . 95 . CA . 95 . HA parsed_2kli 1
41 . . . . . . . . . . . . . . . . 6.1 5.1 7.1 . . . 96 . CA . 96 . HA parsed_2kli 1
42 . . . . . . . . . . . . . . . . -15.0 -16.0 -14.0 . . . 97 . CA . 97 . HA parsed_2kli 1
43 . . . . . . . . . . . . . . . . 6.3 5.3 7.3 . . . 98 . CA . 98 . HA parsed_2kli 1
44 . . . . . . . . . . . . . . . . 10.5 9.5 11.5 . . . 99 . CA . 99 . HA parsed_2kli 1
45 . . . . . . . . . . . . . . . . 7.9 6.9 8.9 . . . 100 . CA . 100 . HA parsed_2kli 1
46 . . . . . . . . . . . . . . . . 4.8 3.8 5.8 . . . 101 . CA . 101 . HA parsed_2kli 1
47 . . . . . . . . . . . . . . . . 15.2 14.2 16.2 . . . 103 . CA . 103 . HA parsed_2kli 1
48 . . . . . . . . . . . . . . . . 15.8 14.8 16.8 . . . 105 . CA . 105 . HA parsed_2kli 1
49 . . . . . . . . . . . . . . . . 3.8 2.8 4.8 . . . 106 . CA . 106 . HA parsed_2kli 1
50 . . . . . . . . . . . . . . . . 4.6 3.6 5.6 . . . 107 . CA . 107 . HA parsed_2kli 1
51 . . . . . . . . . . . . . . . . -16.2 -17.2 -15.2 . . . 108 . CA . 108 . HA parsed_2kli 1
52 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . . 109 . CA . 109 . HA parsed_2kli 1
53 . . . . . . . . . . . . . . . . 8.3 7.3 9.3 . . . 110 . CA . 110 . HA parsed_2kli 1
54 . . . . . . . . . . . . . . . . 12.6 11.6 13.6 . . . 111 . CA . 111 . HA parsed_2kli 1
55 . . . . . . . . . . . . . . . . 13.8 12.8 14.8 . . . 112 . CA . 112 . HA parsed_2kli 1
56 . . . . . . . . . . . . . . . . 12.3 11.3 13.3 . . . 113 . CA . 113 . HA parsed_2kli 1
57 . . . . . . . . . . . . . . . . 7.8 6.8 8.8 . . . 124 . CA . 124 . HA parsed_2kli 1
58 . . . . . . . . . . . . . . . . 0.0 -1.0 1.0 . . . 130 . CA . 130 . HA parsed_2kli 1
59 . . . . . . . . . . . . . . . . -14.6 -15.6 -13.6 . . . 131 . CA . 131 . HA parsed_2kli 1
60 . . . . . . . . . . . . . . . . 8.2 7.2 9.2 . . . 132 . CA . 132 . HA parsed_2kli 1
61 . . . . . . . . . . . . . . . . 0.1 -0.9 1.1 . . . 134 . CA . 134 . HA parsed_2kli 1
62 . . . . . . . . . . . . . . . . -3.9 -4.9 -2.9 . . . 137 . CA . 137 . HA parsed_2kli 1
63 . . . . . . . . . . . . . . . . 4.1 3.1 5.1 . . . 138 . CA . 138 . HA parsed_2kli 1
64 . . . . . . . . . . . . . . . . 3.8 2.8 4.8 . . . 139 . CA . 139 . HA parsed_2kli 1
65 . . . . . . . . . . . . . . . . 1.1 0.1 2.1 . . . 140 . CA . 140 . HA parsed_2kli 1
66 . . . . . . . . . . . . . . . . -11.7 -12.7 -10.7 . . . 141 . CA . 141 . HA parsed_2kli 1
67 . . . . . . . . . . . . . . . . 8.3 7.3 9.3 . . . 142 . CA . 142 . HA parsed_2kli 1
68 . . . . . . . . . . . . . . . . -2.4 -3.4 -1.4 . . . 143 . CA . 143 . HA parsed_2kli 1
69 . . . . . . . . . . . . . . . . -0.5 -1.5 0.5 . . . 144 . CA . 144 . HA parsed_2kli 1
70 . . . . . . . . . . . . . . . . -14.5 -15.5 -13.5 . . . 145 . CA . 145 . HA parsed_2kli 1
71 . . . . . . . . . . . . . . . . 11.7 10.7 12.7 . . . 146 . CA . 146 . HA parsed_2kli 1
72 . . . . . . . . . . . . . . . . 3.1 2.1 4.1 . . . 148 . CA . 148 . HA parsed_2kli 1
73 . . . . . . . . . . . . . . . . 2.9 1.9 3.9 . . . 149 . CA . 149 . HA parsed_2kli 1
74 . . . . . . . . . . . . . . . . 12.5 11.5 13.5 . . . 150 . CA . 150 . HA parsed_2kli 1
75 . . . . . . . . . . . . . . . . 14.6 13.6 15.6 . . . 153 . CA . 153 . HA parsed_2kli 1
76 . . . . . . . . . . . . . . . . 10.1 9.1 11.1 . . . 155 . CA . 155 . HA parsed_2kli 1
77 . . . . . . . . . . . . . . . . -0.3 -1.3 0.7 . . . 156 . CA . 156 . HA parsed_2kli 1
78 . . . . . . . . . . . . . . . . -0.1 -1.1 0.9 . . . 157 . CA . 157 . HA parsed_2kli 1
79 . . . . . . . . . . . . . . . . -8.6 -9.6 -7.6 . . . 160 . CA . 160 . HA parsed_2kli 1
80 . . . . . . . . . . . . . . . . 6.1 5.1 7.1 . . . 161 . CA . 161 . HA parsed_2kli 1
81 . . . . . . . . . . . . . . . . 2.2 1.2 3.2 . . . 162 . CA . 162 . HA parsed_2kli 1
82 . . . . . . . . . . . . . . . . -8.7 -9.7 -7.7 . . . 163 . CA . 163 . HA parsed_2kli 1
83 . . . . . . . . . . . . . . . . 15.7 14.7 16.7 . . . 166 . CA . 166 . HA parsed_2kli 1
84 . . . . . . . . . . . . . . . . 10.7 9.7 11.7 . . . 168 . CA . 168 . HA parsed_2kli 1
85 . . . . . . . . . . . . . . . . 10.0 9.0 11.0 . . . 169 . CA . 169 . HA parsed_2kli 1
86 . . . . . . . . . . . . . . . . 13.5 12.5 14.5 . . . 170 . CA . 170 . HA parsed_2kli 1
87 . . . . . . . . . . . . . . . . 2.8 1.8 3.8 . . . 171 . CA . 171 . HA parsed_2kli 1
88 . . . . . . . . . . . . . . . . 2.0 1.0 3.0 . . . 175 . CA . 175 . HA parsed_2kli 1
89 . . . . . . . . . . . . . . . . 12.5 11.5 13.5 . . . 176 . CA . 176 . HA parsed_2kli 1
90 . . . . . . . . . . . . . . . . -0.0 -1.0 1.0 . . . 182 . CA . 182 . HA parsed_2kli 1
91 . . . . . . . . . . . . . . . . -8.2 -9.2 -7.2 . . . 183 . CA . 183 . HA parsed_2kli 1
92 . . . . . . . . . . . . . . . . 6.6 5.6 7.6 . . . 184 . CA . 184 . HA parsed_2kli 1
93 . . . . . . . . . . . . . . . . -1.7 -2.7 -0.7 . . . 186 . CA . 186 . HA parsed_2kli 1
94 . . . . . . . . . . . . . . . . -1.7 -2.7 -0.7 . . . 187 . CA . 187 . HA parsed_2kli 1
95 . . . . . . . . . . . . . . . . 12.8 11.8 13.8 . . . 188 . CA . 188 . HA parsed_2kli 1
96 . . . . . . . . . . . . . . . . -9.7 -10.7 -8.7 . . . 190 . CA . 190 . HA parsed_2kli 1
97 . . . . . . . . . . . . . . . . 10.4 9.4 11.4 . . . 191 . CA . 191 . HA parsed_2kli 1
98 . . . . . . . . . . . . . . . . -0.3 -1.3 0.7 . . . 193 . CA . 193 . HA parsed_2kli 1
99 . . . . . . . . . . . . . . . . -9.0 -10.0 -8.0 . . . 194 . CA . 194 . HA parsed_2kli 1
100 . . . . . . . . . . . . . . . . 14.8 13.8 15.8 . . . 195 . CA . 195 . HA parsed_2kli 1
101 . . . . . . . . . . . . . . . . -0.5 -1.5 0.5 . . . 196 . CA . 196 . HA parsed_2kli 1
102 . . . . . . . . . . . . . . . . -7.6 -8.6 -6.6 . . . 197 . CA . 197 . HA parsed_2kli 1
103 . . . . . . . . . . . . . . . . 6.3 5.3 7.3 . . . 198 . CA . 198 . HA parsed_2kli 1
104 . . . . . . . . . . . . . . . . 4.3 3.3 5.3 . . . 199 . CA . 199 . HA parsed_2kli 1
105 . . . . . . . . . . . . . . . . 0.9 -0.1 1.9 . . . 200 . CA . 200 . HA parsed_2kli 1
106 . . . . . . . . . . . . . . . . -15.0 -16.0 -14.0 . . . 32 . N . 32 . HN parsed_2kli 1
107 . . . . . . . . . . . . . . . . -17.9 -18.9 -16.9 . . . 33 . N . 33 . HN parsed_2kli 1
108 . . . . . . . . . . . . . . . . -15.8 -16.8 -14.8 . . . 34 . N . 34 . HN parsed_2kli 1
109 . . . . . . . . . . . . . . . . -5.8 -6.8 -4.8 . . . 35 . N . 35 . HN parsed_2kli 1
110 . . . . . . . . . . . . . . . . -15.4 -16.4 -14.4 . . . 36 . N . 36 . HN parsed_2kli 1
111 . . . . . . . . . . . . . . . . -16.7 -17.7 -15.7 . . . 37 . N . 37 . HN parsed_2kli 1
112 . . . . . . . . . . . . . . . . -10.5 -11.5 -9.5 . . . 39 . N . 39 . HN parsed_2kli 1
113 . . . . . . . . . . . . . . . . -16.1 -17.1 -15.1 . . . 40 . N . 40 . HN parsed_2kli 1
114 . . . . . . . . . . . . . . . . -11.9 -12.9 -10.9 . . . 43 . N . 43 . HN parsed_2kli 1
115 . . . . . . . . . . . . . . . . -16.5 -17.5 -15.5 . . . 44 . N . 44 . HN parsed_2kli 1
116 . . . . . . . . . . . . . . . . -13.5 -14.5 -12.5 . . . 45 . N . 45 . HN parsed_2kli 1
117 . . . . . . . . . . . . . . . . -12.5 -13.5 -11.5 . . . 46 . N . 46 . HN parsed_2kli 1
118 . . . . . . . . . . . . . . . . -9.9 -10.9 -8.9 . . . 47 . N . 47 . HN parsed_2kli 1
119 . . . . . . . . . . . . . . . . -13.2 -14.2 -12.2 . . . 48 . N . 48 . HN parsed_2kli 1
120 . . . . . . . . . . . . . . . . -3.5 -4.5 -2.5 . . . 49 . N . 49 . HN parsed_2kli 1
121 . . . . . . . . . . . . . . . . 12.4 11.4 13.4 . . . 50 . N . 50 . HN parsed_2kli 1
122 . . . . . . . . . . . . . . . . 19.5 18.5 20.5 . . . 51 . N . 51 . HN parsed_2kli 1
123 . . . . . . . . . . . . . . . . 15.7 14.7 16.7 . . . 52 . N . 52 . HN parsed_2kli 1
124 . . . . . . . . . . . . . . . . 13.9 12.9 14.9 . . . 54 . N . 54 . HN parsed_2kli 1
125 . . . . . . . . . . . . . . . . 14.5 13.5 15.5 . . . 55 . N . 55 . HN parsed_2kli 1
126 . . . . . . . . . . . . . . . . -8.4 -9.4 -7.4 . . . 56 . N . 56 . HN parsed_2kli 1
127 . . . . . . . . . . . . . . . . -9.2 -10.2 -8.2 . . . 57 . N . 57 . HN parsed_2kli 1
128 . . . . . . . . . . . . . . . . 13.1 12.1 14.1 . . . 59 . N . 59 . HN parsed_2kli 1
129 . . . . . . . . . . . . . . . . 0.2 -0.8 1.2 . . . 60 . N . 60 . HN parsed_2kli 1
130 . . . . . . . . . . . . . . . . -18.1 -19.1 -17.1 . . . 61 . N . 61 . HN parsed_2kli 1
131 . . . . . . . . . . . . . . . . -8.7 -9.7 -7.7 . . . 62 . N . 62 . HN parsed_2kli 1
132 . . . . . . . . . . . . . . . . -1.6 -2.6 -0.6 . . . 63 . N . 63 . HN parsed_2kli 1
133 . . . . . . . . . . . . . . . . 6.3 5.3 7.3 . . . 64 . N . 64 . HN parsed_2kli 1
134 . . . . . . . . . . . . . . . . 16.1 15.1 17.1 . . . 65 . N . 65 . HN parsed_2kli 1
135 . . . . . . . . . . . . . . . . 5.9 4.9 6.9 . . . 66 . N . 66 . HN parsed_2kli 1
136 . . . . . . . . . . . . . . . . 13.1 12.1 14.1 . . . 67 . N . 67 . HN parsed_2kli 1
137 . . . . . . . . . . . . . . . . 17.5 16.5 18.5 . . . 68 . N . 68 . HN parsed_2kli 1
138 . . . . . . . . . . . . . . . . 11.0 10.0 12.0 . . . 69 . N . 69 . HN parsed_2kli 1
139 . . . . . . . . . . . . . . . . 10.6 9.6 11.6 . . . 70 . N . 70 . HN parsed_2kli 1
140 . . . . . . . . . . . . . . . . 0.9 -0.1 1.9 . . . 73 . N . 73 . HN parsed_2kli 1
141 . . . . . . . . . . . . . . . . 0.9 -0.1 1.9 . . . 74 . N . 74 . HN parsed_2kli 1
142 . . . . . . . . . . . . . . . . 13.0 12.0 14.0 . . . 76 . N . 76 . HN parsed_2kli 1
143 . . . . . . . . . . . . . . . . 3.4 2.4 4.4 . . . 77 . N . 77 . HN parsed_2kli 1
144 . . . . . . . . . . . . . . . . -7.4 -8.4 -6.4 . . . 78 . N . 78 . HN parsed_2kli 1
145 . . . . . . . . . . . . . . . . 7.1 6.1 8.1 . . . 79 . N . 79 . HN parsed_2kli 1
146 . . . . . . . . . . . . . . . . -2.1 -3.1 -1.1 . . . 80 . N . 80 . HN parsed_2kli 1
147 . . . . . . . . . . . . . . . . 8.2 7.2 9.2 . . . 81 . N . 81 . HN parsed_2kli 1
148 . . . . . . . . . . . . . . . . -4.0 -5.0 -3.0 . . . 82 . N . 82 . HN parsed_2kli 1
149 . . . . . . . . . . . . . . . . 2.1 1.1 3.1 . . . 85 . N . 85 . HN parsed_2kli 1
150 . . . . . . . . . . . . . . . . -0.2 -1.2 0.8 . . . 86 . N . 86 . HN parsed_2kli 1
151 . . . . . . . . . . . . . . . . -12.8 -13.8 -11.8 . . . 87 . N . 87 . HN parsed_2kli 1
152 . . . . . . . . . . . . . . . . -13.5 -14.5 -12.5 . . . 89 . N . 89 . HN parsed_2kli 1
153 . . . . . . . . . . . . . . . . 5.4 4.4 6.4 . . . 91 . N . 91 . HN parsed_2kli 1
154 . . . . . . . . . . . . . . . . -2.6 -3.6 -1.6 . . . 92 . N . 92 . HN parsed_2kli 1
155 . . . . . . . . . . . . . . . . -1.7 -2.7 -0.7 . . . 93 . N . 93 . HN parsed_2kli 1
156 . . . . . . . . . . . . . . . . -10.3 -11.3 -9.3 . . . 94 . N . 94 . HN parsed_2kli 1
157 . . . . . . . . . . . . . . . . 5.3 4.3 6.3 . . . 95 . N . 95 . HN parsed_2kli 1
158 . . . . . . . . . . . . . . . . -7.7 -8.7 -6.7 . . . 96 . N . 96 . HN parsed_2kli 1
159 . . . . . . . . . . . . . . . . -6.2 -7.2 -5.2 . . . 97 . N . 97 . HN parsed_2kli 1
160 . . . . . . . . . . . . . . . . 4.6 3.6 5.6 . . . 98 . N . 98 . HN parsed_2kli 1
161 . . . . . . . . . . . . . . . . -5.6 -6.6 -4.6 . . . 99 . N . 99 . HN parsed_2kli 1
162 . . . . . . . . . . . . . . . . -0.2 -1.2 0.8 . . . 100 . N . 100 . HN parsed_2kli 1
163 . . . . . . . . . . . . . . . . 17.2 16.2 18.2 . . . 101 . N . 101 . HN parsed_2kli 1
164 . . . . . . . . . . . . . . . . 7.1 6.1 8.1 . . . 102 . N . 102 . HN parsed_2kli 1
165 . . . . . . . . . . . . . . . . 18.5 17.5 19.5 . . . 103 . N . 103 . HN parsed_2kli 1
166 . . . . . . . . . . . . . . . . 10.4 9.4 11.4 . . . 104 . N . 104 . HN parsed_2kli 1
167 . . . . . . . . . . . . . . . . 11.0 10.0 12.0 . . . 106 . N . 106 . HN parsed_2kli 1
168 . . . . . . . . . . . . . . . . -0.2 -1.2 0.8 . . . 107 . N . 107 . HN parsed_2kli 1
169 . . . . . . . . . . . . . . . . -1.6 -2.6 -0.6 . . . 108 . N . 108 . HN parsed_2kli 1
170 . . . . . . . . . . . . . . . . 15.2 14.2 16.2 . . . 109 . N . 109 . HN parsed_2kli 1
171 . . . . . . . . . . . . . . . . 13.7 12.7 14.7 . . . 110 . N . 110 . HN parsed_2kli 1
172 . . . . . . . . . . . . . . . . 7.7 6.7 8.7 . . . 111 . N . 111 . HN parsed_2kli 1
173 . . . . . . . . . . . . . . . . 16.6 15.6 17.6 . . . 112 . N . 112 . HN parsed_2kli 1
174 . . . . . . . . . . . . . . . . 10.3 9.3 11.3 . . . 113 . N . 113 . HN parsed_2kli 1
175 . . . . . . . . . . . . . . . . 4.3 3.3 5.3 . . . 114 . N . 114 . HN parsed_2kli 1
176 . . . . . . . . . . . . . . . . -18.1 -19.1 -17.1 . . . 115 . N . 115 . HN parsed_2kli 1
177 . . . . . . . . . . . . . . . . 0.5 -0.5 1.5 . . . 124 . N . 124 . HN parsed_2kli 1
178 . . . . . . . . . . . . . . . . 1.6 0.6 2.6 . . . 125 . N . 125 . HN parsed_2kli 1
179 . . . . . . . . . . . . . . . . 1.5 0.5 2.5 . . . 127 . N . 127 . HN parsed_2kli 1
180 . . . . . . . . . . . . . . . . 15.4 14.4 16.4 . . . 132 . N . 132 . HN parsed_2kli 1
181 . . . . . . . . . . . . . . . . 13.6 12.6 14.6 . . . 133 . N . 133 . HN parsed_2kli 1
182 . . . . . . . . . . . . . . . . -11.5 -12.5 -10.5 . . . 135 . N . 135 . HN parsed_2kli 1
183 . . . . . . . . . . . . . . . . -12.2 -13.2 -11.2 . . . 136 . N . 136 . HN parsed_2kli 1
184 . . . . . . . . . . . . . . . . 13.5 12.5 14.5 . . . 138 . N . 138 . HN parsed_2kli 1
185 . . . . . . . . . . . . . . . . 16.1 15.1 17.1 . . . 139 . N . 139 . HN parsed_2kli 1
186 . . . . . . . . . . . . . . . . 13.4 12.4 14.4 . . . 140 . N . 140 . HN parsed_2kli 1
187 . . . . . . . . . . . . . . . . 11.7 10.7 12.7 . . . 141 . N . 141 . HN parsed_2kli 1
188 . . . . . . . . . . . . . . . . 17.3 16.3 18.3 . . . 142 . N . 142 . HN parsed_2kli 1
189 . . . . . . . . . . . . . . . . 17.4 16.4 18.4 . . . 143 . N . 143 . HN parsed_2kli 1
190 . . . . . . . . . . . . . . . . 15.6 14.6 16.6 . . . 144 . N . 144 . HN parsed_2kli 1
191 . . . . . . . . . . . . . . . . 10.2 9.2 11.2 . . . 145 . N . 145 . HN parsed_2kli 1
192 . . . . . . . . . . . . . . . . 16.4 15.4 17.4 . . . 146 . N . 146 . HN parsed_2kli 1
193 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 147 . N . 147 . HN parsed_2kli 1
194 . . . . . . . . . . . . . . . . -2.1 -3.1 -1.1 . . . 148 . N . 148 . HN parsed_2kli 1
195 . . . . . . . . . . . . . . . . 9.5 8.5 10.5 . . . 149 . N . 149 . HN parsed_2kli 1
196 . . . . . . . . . . . . . . . . 18.9 17.9 19.9 . . . 150 . N . 150 . HN parsed_2kli 1
197 . . . . . . . . . . . . . . . . 10.4 9.4 11.4 . . . 151 . N . 151 . HN parsed_2kli 1
198 . . . . . . . . . . . . . . . . 17.7 16.7 18.7 . . . 152 . N . 152 . HN parsed_2kli 1
199 . . . . . . . . . . . . . . . . 8.8 7.8 9.8 . . . 153 . N . 153 . HN parsed_2kli 1
200 . . . . . . . . . . . . . . . . 3.5 2.5 4.5 . . . 154 . N . 154 . HN parsed_2kli 1
201 . . . . . . . . . . . . . . . . -2.1 -3.1 -1.1 . . . 156 . N . 156 . HN parsed_2kli 1
202 . . . . . . . . . . . . . . . . -4.7 -5.7 -3.7 . . . 157 . N . 157 . HN parsed_2kli 1
203 . . . . . . . . . . . . . . . . 1.5 0.5 2.5 . . . 158 . N . 158 . HN parsed_2kli 1
204 . . . . . . . . . . . . . . . . 1.9 0.9 2.9 . . . 161 . N . 161 . HN parsed_2kli 1
205 . . . . . . . . . . . . . . . . 1.0 0.0 2.0 . . . 162 . N . 162 . HN parsed_2kli 1
206 . . . . . . . . . . . . . . . . -0.5 -1.5 0.5 . . . 163 . N . 163 . HN parsed_2kli 1
207 . . . . . . . . . . . . . . . . 11.1 10.1 12.1 . . . 164 . N . 164 . HN parsed_2kli 1
208 . . . . . . . . . . . . . . . . 16.0 15.0 17.0 . . . 165 . N . 165 . HN parsed_2kli 1
209 . . . . . . . . . . . . . . . . 14.6 13.6 15.6 . . . 166 . N . 166 . HN parsed_2kli 1
210 . . . . . . . . . . . . . . . . 14.0 13.0 15.0 . . . 167 . N . 167 . HN parsed_2kli 1
211 . . . . . . . . . . . . . . . . 16.6 15.6 17.6 . . . 168 . N . 168 . HN parsed_2kli 1
212 . . . . . . . . . . . . . . . . 13.7 12.7 14.7 . . . 169 . N . 169 . HN parsed_2kli 1
213 . . . . . . . . . . . . . . . . 12.2 11.2 13.2 . . . 170 . N . 170 . HN parsed_2kli 1
214 . . . . . . . . . . . . . . . . 12.9 11.9 13.9 . . . 171 . N . 171 . HN parsed_2kli 1
215 . . . . . . . . . . . . . . . . -10.5 -11.5 -9.5 . . . 172 . N . 172 . HN parsed_2kli 1
216 . . . . . . . . . . . . . . . . 10.7 9.7 11.7 . . . 176 . N . 176 . HN parsed_2kli 1
217 . . . . . . . . . . . . . . . . 15.9 14.9 16.9 . . . 177 . N . 177 . HN parsed_2kli 1
218 . . . . . . . . . . . . . . . . -18.0 -19.0 -17.0 . . . 179 . N . 179 . HN parsed_2kli 1
219 . . . . . . . . . . . . . . . . -11.1 -12.1 -10.1 . . . 183 . N . 183 . HN parsed_2kli 1
220 . . . . . . . . . . . . . . . . -13.1 -14.1 -12.1 . . . 184 . N . 184 . HN parsed_2kli 1
221 . . . . . . . . . . . . . . . . -12.4 -13.4 -11.4 . . . 185 . N . 185 . HN parsed_2kli 1
222 . . . . . . . . . . . . . . . . -13.5 -14.5 -12.5 . . . 187 . N . 187 . HN parsed_2kli 1
223 . . . . . . . . . . . . . . . . -0.1 -1.1 0.9 . . . 188 . N . 188 . HN parsed_2kli 1
224 . . . . . . . . . . . . . . . . -10.5 -11.5 -9.5 . . . 189 . N . 189 . HN parsed_2kli 1
225 . . . . . . . . . . . . . . . . -16.5 -17.5 -15.5 . . . 190 . N . 190 . HN parsed_2kli 1
226 . . . . . . . . . . . . . . . . -21.4 -22.4 -20.4 . . . 191 . N . 191 . HN parsed_2kli 1
227 . . . . . . . . . . . . . . . . -12.5 -13.5 -11.5 . . . 192 . N . 192 . HN parsed_2kli 1
228 . . . . . . . . . . . . . . . . -13.0 -14.0 -12.0 . . . 193 . N . 193 . HN parsed_2kli 1
229 . . . . . . . . . . . . . . . . -16.5 -17.5 -15.5 . . . 194 . N . 194 . HN parsed_2kli 1
230 . . . . . . . . . . . . . . . . -8.3 -9.3 -7.3 . . . 195 . N . 195 . HN parsed_2kli 1
231 . . . . . . . . . . . . . . . . -7.9 -8.9 -6.9 . . . 196 . N . 196 . HN parsed_2kli 1
232 . . . . . . . . . . . . . . . . -13.1 -14.1 -12.1 . . . 197 . N . 197 . HN parsed_2kli 1
233 . . . . . . . . . . . . . . . . -8.2 -9.2 -7.2 . . . 198 . N . 198 . HN parsed_2kli 1
234 . . . . . . . . . . . . . . . . -1.2 -2.2 -0.2 . . . 199 . N . 199 . HN parsed_2kli 1
235 . . . . . . . . . . . . . . . . -9.6 -10.6 -8.6 . . . 200 . N . 200 . HN parsed_2kli 1
236 . . . . . . . . . . . . . . . . -8.7 -9.7 -7.7 . . . 201 . N . 201 . HN parsed_2kli 1
237 . . . . . . . . . . . . . . . . -3.1 -4.1 -2.1 . . . 202 . N . 202 . HN parsed_2kli 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 104 and name CA )
( resid 104 and name HA ) 12.0 1.0 1.0
;
330 1 335 54 parsed_2kli 1
2 "! L35 only in 3d pfr, -14.4 in pr" 765 1 765 35 parsed_2kli 1
3
;
! E41 only in ipap pfr, not in pr
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 41 and name N )
( resid 41 and name HN ) 10.3 1.0 1.0
;
801 1 807 53 parsed_2kli 1
4
;
! V53 in both 3d and ipap pfr; 15.2 in pr!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 53 and name N )
( resid 53 and name HN ) -1.9 1.0 1.0
;
879 1 885 53 parsed_2kli 1
5 "! F56 only in 3d pfr; 6 in pr!" 901 1 901 32 parsed_2kli 1
6 "! F80 only in ipap pfr" 1042 1 1042 24 parsed_2kli 1
7 "! F82 ovl. w. pr!" 1057 1 1057 19 parsed_2kli 1
8 "! L94 in both 3d and ipap pfr, -1 in pr!" 1114 1 1114 42 parsed_2kli 1
9 "! R96 only in 3d pfr, 1.1 in pr" 1129 1 1129 33 parsed_2kli 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 105 and name N )
( resid 105 and name HN ) 15.2 1.0 1.0
! V106 only in ipap pfr
;
1193 1 1200 25 parsed_2kli 1
11 "! L127 in both 3d and ipap pfr, not in pr (flex loop)!" 1285 1 1285 56 parsed_2kli 1
12
;
! E129 big outlier, only in ipap pfr, not in pr (flex loop)!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 129 and name N )
( resid 129 and name HN ) -12.5 1.0 1.0
;
1293 1 1299 54 parsed_2kli 1
13 "! G147 only in ipap pfr" 1392 1 1392 25 parsed_2kli 1
14 "! V154 only in ipap pfr, 16.7 in pr!" 1442 1 1442 38 parsed_2kli 1
15 "! Y176 only in ipap pfr" 1555 1 1555 25 parsed_2kli 1
16 "! V183 only in ipap pfr" 1577 1 1577 25 parsed_2kli 1
17 "! D188 only in ipap pfr, -13.6 in pr!" 1606 1 1606 39 parsed_2kli 1
18 "! V191 only in 3d pfr, -10 in pr!" 1628 1 1628 35 parsed_2kli 1
19 "! A198 in both 3d and ipap pfr; -17.3 in pr!" 1678 1 1678 46 parsed_2kli 1
20 "! L202 only in 3d pfr, -16.9 in pr!" 1707 1 1707 37 parsed_2kli 1
stop_
save_
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