NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52938 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 131 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_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_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_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 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_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 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oed
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 12.017 11.017 13.017 . . GB3N 2 . CA GB3N 2 . HA parsed_2oed 1
2 . . . . . . . . . . . . . . . . 14.734 13.734 15.734 . . GB3N 3 . CA GB3N 3 . HA parsed_2oed 1
3 . . . . . . . . . . . . . . . . 22.676 21.676 23.676 . . GB3N 4 . CA GB3N 4 . HA parsed_2oed 1
4 . . . . . . . . . . . . . . . . 23.759 22.759 24.759 . . GB3N 5 . CA GB3N 5 . HA parsed_2oed 1
5 . . . . . . . . . . . . . . . . 22.100 21.100 23.100 . . GB3N 6 . CA GB3N 6 . HA parsed_2oed 1
6 . . . . . . . . . . . . . . . . 19.873 18.873 20.873 . . GB3N 7 . CA GB3N 7 . HA parsed_2oed 1
7 . . . . . . . . . . . . . . . . 19.539 18.539 20.539 . . GB3N 8 . CA GB3N 8 . HA parsed_2oed 1
8 . . . . . . . . . . . . . . . . 21.038 20.038 22.038 . . GB3N 12 . CA GB3N 12 . HA parsed_2oed 1
9 . . . . . . . . . . . . . . . . 19.835 18.835 20.835 . . GB3N 13 . CA GB3N 13 . HA parsed_2oed 1
10 . . . . . . . . . . . . . . . . 19.452 18.452 20.452 . . GB3N 15 . CA GB3N 15 . HA parsed_2oed 1
11 . . . . . . . . . . . . . . . . 17.231 16.231 18.231 . . GB3N 16 . CA GB3N 16 . HA parsed_2oed 1
12 . . . . . . . . . . . . . . . . 21.852 20.852 22.852 . . GB3N 17 . CA GB3N 17 . HA parsed_2oed 1
13 . . . . . . . . . . . . . . . . 22.756 21.756 23.756 . . GB3N 18 . CA GB3N 18 . HA parsed_2oed 1
14 . . . . . . . . . . . . . . . . 15.474 14.474 16.474 . . GB3N 19 . CA GB3N 19 . HA parsed_2oed 1
15 . . . . . . . . . . . . . . . . 13.703 12.703 14.703 . . GB3N 20 . CA GB3N 20 . HA parsed_2oed 1
16 . . . . . . . . . . . . . . . . -8.593 -9.593 -7.593 . . GB3N 21 . CA GB3N 21 . HA parsed_2oed 1
17 . . . . . . . . . . . . . . . . 4.420 3.420 5.420 . . GB3N 22 . CA GB3N 22 . HA parsed_2oed 1
18 . . . . . . . . . . . . . . . . 18.319 17.319 19.319 . . GB3N 23 . CA GB3N 23 . HA parsed_2oed 1
19 . . . . . . . . . . . . . . . . 0.694 -0.306 1.694 . . GB3N 27 . CA GB3N 27 . HA parsed_2oed 1
20 . . . . . . . . . . . . . . . . -23.575 -24.575 -22.575 . . GB3N 28 . CA GB3N 28 . HA parsed_2oed 1
21 . . . . . . . . . . . . . . . . 11.731 10.731 12.731 . . GB3N 29 . CA GB3N 29 . HA parsed_2oed 1
22 . . . . . . . . . . . . . . . . 22.091 21.091 23.091 . . GB3N 30 . CA GB3N 30 . HA parsed_2oed 1
23 . . . . . . . . . . . . . . . . -11.487 -12.487 -10.487 . . GB3N 31 . CA GB3N 31 . HA parsed_2oed 1
24 . . . . . . . . . . . . . . . . -15.368 -16.368 -14.368 . . GB3N 32 . CA GB3N 32 . HA parsed_2oed 1
25 . . . . . . . . . . . . . . . . 20.755 19.755 21.755 . . GB3N 33 . CA GB3N 33 . HA parsed_2oed 1
26 . . . . . . . . . . . . . . . . 12.615 11.615 13.615 . . GB3N 34 . CA GB3N 34 . HA parsed_2oed 1
27 . . . . . . . . . . . . . . . . -21.200 -22.200 -20.200 . . GB3N 35 . CA GB3N 35 . HA parsed_2oed 1
28 . . . . . . . . . . . . . . . . -0.657 -1.657 0.343 . . GB3N 36 . CA GB3N 36 . HA parsed_2oed 1
29 . . . . . . . . . . . . . . . . 16.711 15.711 17.711 . . GB3N 37 . CA GB3N 37 . HA parsed_2oed 1
30 . . . . . . . . . . . . . . . . 14.010 13.010 15.010 . . GB3N 42 . CA GB3N 42 . HA parsed_2oed 1
31 . . . . . . . . . . . . . . . . 20.295 19.295 21.295 . . GB3N 43 . CA GB3N 43 . HA parsed_2oed 1
32 . . . . . . . . . . . . . . . . 20.218 19.218 21.218 . . GB3N 44 . CA GB3N 44 . HA parsed_2oed 1
33 . . . . . . . . . . . . . . . . 23.196 22.196 24.196 . . GB3N 45 . CA GB3N 45 . HA parsed_2oed 1
34 . . . . . . . . . . . . . . . . 23.105 22.105 24.105 . . GB3N 46 . CA GB3N 46 . HA parsed_2oed 1
35 . . . . . . . . . . . . . . . . 18.431 17.431 19.431 . . GB3N 47 . CA GB3N 47 . HA parsed_2oed 1
36 . . . . . . . . . . . . . . . . -31.788 -32.788 -30.788 . . GB3N 48 . CA GB3N 48 . HA parsed_2oed 1
37 . . . . . . . . . . . . . . . . -18.012 -19.012 -17.012 . . GB3N 49 . CA GB3N 49 . HA parsed_2oed 1
38 . . . . . . . . . . . . . . . . 18.733 17.733 19.733 . . GB3N 50 . CA GB3N 50 . HA parsed_2oed 1
39 . . . . . . . . . . . . . . . . 20.671 19.671 21.671 . . GB3N 51 . CA GB3N 51 . HA parsed_2oed 1
40 . . . . . . . . . . . . . . . . 23.543 22.543 24.543 . . GB3N 52 . CA GB3N 52 . HA parsed_2oed 1
41 . . . . . . . . . . . . . . . . 23.197 22.197 24.197 . . GB3N 53 . CA GB3N 53 . HA parsed_2oed 1
42 . . . . . . . . . . . . . . . . 22.685 21.685 23.685 . . GB3N 54 . CA GB3N 54 . HA parsed_2oed 1
43 . . . . . . . . . . . . . . . . 20.791 19.791 21.791 . . GB3N 55 . CA GB3N 55 . HA parsed_2oed 1
44 . . . . . . . . . . . . . . . . -1.216 -1.341 -1.091 . . GB3N 2 . C GB3N 3 . N parsed_2oed 1
45 . . . . . . . . . . . . . . . . -0.526 -0.651 -0.401 . . GB3N 3 . C GB3N 4 . N parsed_2oed 1
46 . . . . . . . . . . . . . . . . -0.690 -0.815 -0.565 . . GB3N 4 . C GB3N 5 . N parsed_2oed 1
47 . . . . . . . . . . . . . . . . -0.088 -0.213 0.037 . . GB3N 5 . C GB3N 6 . N parsed_2oed 1
48 . . . . . . . . . . . . . . . . 0.050 -0.075 0.175 . . GB3N 6 . C GB3N 7 . N parsed_2oed 1
49 . . . . . . . . . . . . . . . . 0.600 0.475 0.725 . . GB3N 7 . C GB3N 8 . N parsed_2oed 1
50 . . . . . . . . . . . . . . . . 1.006 0.881 1.131 . . GB3N 8 . C GB3N 9 . N parsed_2oed 1
51 . . . . . . . . . . . . . . . . -1.232 -1.357 -1.107 . . GB3N 9 . C GB3N 10 . N parsed_2oed 1
52 . . . . . . . . . . . . . . . . 0.032 -0.093 0.157 . . GB3N 12 . C GB3N 13 . N parsed_2oed 1
53 . . . . . . . . . . . . . . . . -1.096 -1.221 -0.971 . . GB3N 13 . C GB3N 14 . N parsed_2oed 1
54 . . . . . . . . . . . . . . . . -1.266 -1.391 -1.141 . . GB3N 14 . C GB3N 15 . N parsed_2oed 1
55 . . . . . . . . . . . . . . . . -0.114 -0.239 0.011 . . GB3N 15 . C GB3N 16 . N parsed_2oed 1
56 . . . . . . . . . . . . . . . . -0.838 -0.963 -0.713 . . GB3N 16 . C GB3N 17 . N parsed_2oed 1
57 . . . . . . . . . . . . . . . . -0.286 -0.411 -0.161 . . GB3N 17 . C GB3N 18 . N parsed_2oed 1
58 . . . . . . . . . . . . . . . . -0.556 -0.681 -0.431 . . GB3N 18 . C GB3N 19 . N parsed_2oed 1
59 . . . . . . . . . . . . . . . . 0.938 0.813 1.063 . . GB3N 19 . C GB3N 20 . N parsed_2oed 1
60 . . . . . . . . . . . . . . . . 0.600 0.475 0.725 . . GB3N 20 . C GB3N 21 . N parsed_2oed 1
61 . . . . . . . . . . . . . . . . -1.600 -1.725 -1.475 . . GB3N 21 . C GB3N 22 . N parsed_2oed 1
62 . . . . . . . . . . . . . . . . 0.840 0.715 0.965 . . GB3N 22 . C GB3N 23 . N parsed_2oed 1
63 . . . . . . . . . . . . . . . . 0.754 0.629 0.879 . . GB3N 23 . C GB3N 24 . N parsed_2oed 1
64 . . . . . . . . . . . . . . . . 0.146 0.021 0.271 . . GB3N 27 . C GB3N 28 . N parsed_2oed 1
65 . . . . . . . . . . . . . . . . -0.318 -0.443 -0.193 . . GB3N 28 . C GB3N 29 . N parsed_2oed 1
66 . . . . . . . . . . . . . . . . 1.102 0.977 1.227 . . GB3N 30 . C GB3N 31 . N parsed_2oed 1
67 . . . . . . . . . . . . . . . . -0.228 -0.353 -0.103 . . GB3N 31 . C GB3N 32 . N parsed_2oed 1
68 . . . . . . . . . . . . . . . . 0.200 0.075 0.325 . . GB3N 32 . C GB3N 33 . N parsed_2oed 1
69 . . . . . . . . . . . . . . . . 1.160 1.035 1.285 . . GB3N 33 . C GB3N 34 . N parsed_2oed 1
70 . . . . . . . . . . . . . . . . 0.622 0.497 0.747 . . GB3N 34 . C GB3N 35 . N parsed_2oed 1
71 . . . . . . . . . . . . . . . . -0.586 -0.711 -0.461 . . GB3N 35 . C GB3N 36 . N parsed_2oed 1
72 . . . . . . . . . . . . . . . . 0.978 0.853 1.103 . . GB3N 36 . C GB3N 37 . N parsed_2oed 1
73 . . . . . . . . . . . . . . . . 1.126 1.001 1.251 . . GB3N 37 . C GB3N 38 . N parsed_2oed 1
74 . . . . . . . . . . . . . . . . -1.030 -1.155 -0.905 . . GB3N 38 . C GB3N 39 . N parsed_2oed 1
75 . . . . . . . . . . . . . . . . -1.152 -1.277 -1.027 . . GB3N 42 . C GB3N 43 . N parsed_2oed 1
76 . . . . . . . . . . . . . . . . -0.168 -0.293 -0.043 . . GB3N 43 . C GB3N 44 . N parsed_2oed 1
77 . . . . . . . . . . . . . . . . -0.788 -0.913 -0.663 . . GB3N 44 . C GB3N 45 . N parsed_2oed 1
78 . . . . . . . . . . . . . . . . 0.224 0.099 0.349 . . GB3N 45 . C GB3N 46 . N parsed_2oed 1
79 . . . . . . . . . . . . . . . . 0.050 -0.075 0.175 . . GB3N 46 . C GB3N 47 . N parsed_2oed 1
80 . . . . . . . . . . . . . . . . 0.670 0.545 0.795 . . GB3N 47 . C GB3N 48 . N parsed_2oed 1
81 . . . . . . . . . . . . . . . . -1.290 -1.415 -1.165 . . GB3N 48 . C GB3N 49 . N parsed_2oed 1
82 . . . . . . . . . . . . . . . . 0.984 0.859 1.109 . . GB3N 49 . C GB3N 50 . N parsed_2oed 1
83 . . . . . . . . . . . . . . . . -1.112 -1.237 -0.987 . . GB3N 50 . C GB3N 51 . N parsed_2oed 1
84 . . . . . . . . . . . . . . . . 0.208 0.083 0.333 . . GB3N 51 . C GB3N 52 . N parsed_2oed 1
85 . . . . . . . . . . . . . . . . -0.974 -1.099 -0.849 . . GB3N 52 . C GB3N 53 . N parsed_2oed 1
86 . . . . . . . . . . . . . . . . -0.314 -0.439 -0.189 . . GB3N 53 . C GB3N 54 . N parsed_2oed 1
87 . . . . . . . . . . . . . . . . -0.102 -0.227 0.023 . . GB3N 54 . C GB3N 55 . N parsed_2oed 1
88 . . . . . . . . . . . . . . . . -0.264 -0.389 -0.139 . . GB3N 55 . C GB3N 56 . N parsed_2oed 1
89 . . . . . . . . . . . . . . . . 8.878 7.878 9.878 . . GB3N 3 . HN GB3N 3 . N parsed_2oed 1
90 . . . . . . . . . . . . . . . . 10.584 9.584 11.584 . . GB3N 4 . HN GB3N 4 . N parsed_2oed 1
91 . . . . . . . . . . . . . . . . 11.162 10.162 12.162 . . GB3N 5 . HN GB3N 5 . N parsed_2oed 1
92 . . . . . . . . . . . . . . . . 10.768 9.768 11.768 . . GB3N 6 . HN GB3N 6 . N parsed_2oed 1
93 . . . . . . . . . . . . . . . . 8.784 7.784 9.784 . . GB3N 7 . HN GB3N 7 . N parsed_2oed 1
94 . . . . . . . . . . . . . . . . 7.791 6.791 8.791 . . GB3N 8 . HN GB3N 8 . N parsed_2oed 1
95 . . . . . . . . . . . . . . . . 5.210 4.210 6.210 . . GB3N 9 . HN GB3N 9 . N parsed_2oed 1
96 . . . . . . . . . . . . . . . . 8.599 7.599 9.599 . . GB3N 12 . HN GB3N 12 . N parsed_2oed 1
97 . . . . . . . . . . . . . . . . 9.598 8.598 10.598 . . GB3N 13 . HN GB3N 13 . N parsed_2oed 1
98 . . . . . . . . . . . . . . . . 11.174 10.174 12.174 . . GB3N 14 . HN GB3N 14 . N parsed_2oed 1
99 . . . . . . . . . . . . . . . . 11.160 10.160 12.160 . . GB3N 15 . HN GB3N 15 . N parsed_2oed 1
100 . . . . . . . . . . . . . . . . 11.281 10.281 12.281 . . GB3N 16 . HN GB3N 16 . N parsed_2oed 1
101 . . . . . . . . . . . . . . . . 10.417 9.417 11.417 . . GB3N 17 . HN GB3N 17 . N parsed_2oed 1
102 . . . . . . . . . . . . . . . . 7.495 6.495 8.495 . . GB3N 18 . HN GB3N 18 . N parsed_2oed 1
103 . . . . . . . . . . . . . . . . 6.883 5.883 7.883 . . GB3N 19 . HN GB3N 19 . N parsed_2oed 1
104 . . . . . . . . . . . . . . . . 3.734 2.734 4.734 . . GB3N 20 . HN GB3N 20 . N parsed_2oed 1
105 . . . . . . . . . . . . . . . . 5.021 4.021 6.021 . . GB3N 21 . HN GB3N 21 . N parsed_2oed 1
106 . . . . . . . . . . . . . . . . -1.665 -2.665 -0.665 . . GB3N 22 . HN GB3N 22 . N parsed_2oed 1
107 . . . . . . . . . . . . . . . . 1.174 0.174 2.174 . . GB3N 23 . HN GB3N 23 . N parsed_2oed 1
108 . . . . . . . . . . . . . . . . -13.783 -14.783 -12.783 . . GB3N 28 . HN GB3N 28 . N parsed_2oed 1
109 . . . . . . . . . . . . . . . . -9.107 -10.107 -8.107 . . GB3N 29 . HN GB3N 29 . N parsed_2oed 1
110 . . . . . . . . . . . . . . . . -3.803 -4.803 -2.803 . . GB3N 30 . HN GB3N 30 . N parsed_2oed 1
111 . . . . . . . . . . . . . . . . -9.141 -10.141 -8.141 . . GB3N 31 . HN GB3N 31 . N parsed_2oed 1
112 . . . . . . . . . . . . . . . . -15.848 -16.848 -14.848 . . GB3N 32 . HN GB3N 32 . N parsed_2oed 1
113 . . . . . . . . . . . . . . . . -9.585 -10.585 -8.585 . . GB3N 33 . HN GB3N 33 . N parsed_2oed 1
114 . . . . . . . . . . . . . . . . -4.899 -5.899 -3.899 . . GB3N 34 . HN GB3N 34 . N parsed_2oed 1
115 . . . . . . . . . . . . . . . . -11.417 -12.417 -10.417 . . GB3N 35 . HN GB3N 35 . N parsed_2oed 1
116 . . . . . . . . . . . . . . . . -14.628 -15.628 -13.628 . . GB3N 36 . HN GB3N 36 . N parsed_2oed 1
117 . . . . . . . . . . . . . . . . -1.726 -2.726 -0.726 . . GB3N 38 . HN GB3N 38 . N parsed_2oed 1
118 . . . . . . . . . . . . . . . . 2.720 1.720 3.720 . . GB3N 42 . HN GB3N 42 . N parsed_2oed 1
119 . . . . . . . . . . . . . . . . 7.463 6.463 8.463 . . GB3N 43 . HN GB3N 43 . N parsed_2oed 1
120 . . . . . . . . . . . . . . . . 11.237 10.237 12.237 . . GB3N 44 . HN GB3N 44 . N parsed_2oed 1
121 . . . . . . . . . . . . . . . . 11.335 10.335 12.335 . . GB3N 45 . HN GB3N 45 . N parsed_2oed 1
122 . . . . . . . . . . . . . . . . 11.217 10.217 12.217 . . GB3N 46 . HN GB3N 46 . N parsed_2oed 1
123 . . . . . . . . . . . . . . . . 7.896 6.896 8.896 . . GB3N 47 . HN GB3N 47 . N parsed_2oed 1
124 . . . . . . . . . . . . . . . . -6.654 -7.654 -5.654 . . GB3N 48 . HN GB3N 48 . N parsed_2oed 1
125 . . . . . . . . . . . . . . . . -6.331 -7.331 -5.331 . . GB3N 49 . HN GB3N 49 . N parsed_2oed 1
126 . . . . . . . . . . . . . . . . 10.328 9.328 11.328 . . GB3N 50 . HN GB3N 50 . N parsed_2oed 1
127 . . . . . . . . . . . . . . . . 10.868 9.868 11.868 . . GB3N 51 . HN GB3N 51 . N parsed_2oed 1
128 . . . . . . . . . . . . . . . . 10.165 9.165 11.165 . . GB3N 52 . HN GB3N 52 . N parsed_2oed 1
129 . . . . . . . . . . . . . . . . 10.967 9.967 11.967 . . GB3N 53 . HN GB3N 53 . N parsed_2oed 1
130 . . . . . . . . . . . . . . . . 9.879 8.879 10.879 . . GB3N 54 . HN GB3N 54 . N parsed_2oed 1
131 . . . . . . . . . . . . . . . . 9.152 8.152 10.152 . . GB3N 55 . HN GB3N 55 . N parsed_2oed 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 rcds_B_CAHA.dat 2 1 2 18 parsed_2oed 1
2
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 9 and name CA )
( segi GB3N and resi 9 and name HA# ) 36.970 1.0 1.0
;
52 1 57 65 parsed_2oed 1
3
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 14 and name CA )
( segi GB3N and resi 14 and name HA# ) 32.850 1.0 1.0
;
73 1 78 65 parsed_2oed 1
4
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 38 and name CA )
( segi GB3N and resi 38 and name HA# ) 2.392 1.0 1.0
;
220 1 225 65 parsed_2oed 1
5
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 1 and name CA )
( segi GB3N and resi 1 and name HA ) -4.807 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 10 and name CA )
( segi GB3N and resi 10 and name HA ) 13.756 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 11 and name CA )
( segi GB3N and resi 11 and name HA ) 2.450 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 24 and name CA )
( segi GB3N and resi 24 and name HA ) -26.790 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 25 and name CA )
( segi GB3N and resi 25 and name HA ) -1.300 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 26 and name CA )
( segi GB3N and resi 26 and name HA ) 22.898 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 39 and name CA )
( segi GB3N and resi 39 and name HA ) -23.490 1.0 1.0 1
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 40 and name CA )
( segi GB3N and resi 40 and name HA ) -25.074 1.0 1.0 1
!assign ( resi 502 and name OO )
! ( resi 502 and name Z )
! ( resi 502 and name X )
! ( resi 502 and name Y )
! ( segi GB3N and resi 41 and name CA )
! ( segi GB3N and resi 41 and name HA# ) -12.140 1.0 1.0
;
325 1 325 1 parsed_2oed 1
6 rcds_B_CN.dat 390 1 390 16 parsed_2oed 1
7
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 1 and name C )
( segi GB3N and resi 2 and name N ) 0.568 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 10 and name C )
( segi GB3N and resi 11 and name N ) 0.600 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 11 and name C )
( segi GB3N and resi 12 and name N ) -0.774 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 24 and name C )
( segi GB3N and resi 25 and name N ) -1.230 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 25 and name C )
( segi GB3N and resi 26 and name N ) 0.686 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 26 and name C )
( segi GB3N and resi 27 and name N ) 0.898 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 39 and name C )
( segi GB3N and resi 40 and name N ) -0.050 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 40 and name C )
( segi GB3N and resi 41 and name N ) -0.596 0.125 0.125
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 41 and name C )
( segi GB3N and resi 42 and name N ) 0.910 0.125 0.125
;
706 1 706 1 parsed_2oed 1
8 rcds_B_NHN.dat 772 1 772 17 parsed_2oed 1
9
;
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 10 and name HN )
( segi GB3N and resi 10 and name N ) 6.090 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 11 and name HN )
( segi GB3N and resi 11 and name N ) 3.032 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 24 and name HN )
( segi GB3N and resi 24 and name N ) -9.867 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 26 and name HN )
( segi GB3N and resi 26 and name N ) -2.407 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 39 and name HN )
( segi GB3N and resi 39 and name N ) -10.420 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 40 and name HN )
( segi GB3N and resi 40 and name N ) -6.234 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 41 and name HN )
( segi GB3N and resi 41 and name N ) -6.378 1.0 1.0
assign ( resi 502 and name OO )
( resi 502 and name Z )
( resi 502 and name X )
( resi 502 and name Y )
( segi GB3N and resi 56 and name HN )
( segi GB3N and resi 56 and name N ) 8.291 1.0 1.0
;
1074 1 1074 1 parsed_2oed 1
stop_
save_
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