data_19664
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19664
_Entry.PDB_ID 2MI3
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 19664
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.511 -1.638 19664
2 1 1 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.964 19664
3 1 1 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
4 1 1 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
5 1 1 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
6 1 1 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664
7 1 1 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
8 1 1 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.333 -0.766 19664
9 1 1 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
10 1 1 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
11 1 1 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
12 1 1 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
13 1 1 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664
14 1 1 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664
15 1 1 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.029 1.444 19664
16 1 1 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.184 -0.496 19664
17 1 2 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.508 -1.635 19664
18 1 2 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664
19 1 2 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
20 1 2 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664
21 1 2 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
22 1 2 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664
23 1 2 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664
24 1 2 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664
25 1 2 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
26 1 2 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.235 -0.651 19664
27 1 2 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
28 1 2 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
29 1 2 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664
30 1 2 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.291 -0.894 19664
31 1 2 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.031 1.442 19664
32 1 2 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664
33 1 3 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664
34 1 3 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.963 19664
35 1 3 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.479 0.700 19664
36 1 3 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
37 1 3 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
38 1 3 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664
39 1 3 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.404 -2.248 19664
40 1 3 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664
41 1 3 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664
42 1 3 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
43 1 3 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664
44 1 3 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
45 1 3 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.339 -1.253 19664
46 1 3 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664
47 1 3 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.028 1.445 19664
48 1 3 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664
49 1 4 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.508 -1.635 19664
50 1 4 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.963 19664
51 1 4 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.476 0.703 19664
52 1 4 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
53 1 4 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
54 1 4 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.748 -1.423 19664
55 1 4 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
56 1 4 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664
57 1 4 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664
58 1 4 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
59 1 4 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664
60 1 4 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664
61 1 4 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.345 -1.259 19664
62 1 4 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.294 -0.897 19664
63 1 4 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.031 1.442 19664
64 1 4 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.184 -0.496 19664
65 1 5 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664
66 1 5 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.524 -2.033 19664
67 1 5 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
68 1 5 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664
69 1 5 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
70 1 5 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664
71 1 5 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
72 1 5 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664
73 1 5 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664
74 1 5 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.237 -0.653 19664
75 1 5 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
76 1 5 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
77 1 5 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.342 -1.256 19664
78 1 5 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664
79 1 5 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.085 1.388 19664
80 1 5 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664
81 1 6 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.511 -1.638 19664
82 1 6 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.524 -2.034 19664
83 1 6 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
84 1 6 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
85 1 6 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.172 -1.235 19664
86 1 6 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664
87 1 6 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
88 1 6 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664
89 1 6 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
90 1 6 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
91 1 6 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664
92 1 6 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
93 1 6 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.338 -1.252 19664
94 1 6 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.294 -0.897 19664
95 1 6 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.032 1.441 19664
96 1 6 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.182 -0.494 19664
97 1 7 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.506 -1.633 19664
98 1 7 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664
99 1 7 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.478 0.701 19664
100 1 7 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664
101 1 7 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.172 -1.235 19664
102 1 7 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.423 19664
103 1 7 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664
104 1 7 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.337 -0.770 19664
105 1 7 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.380 -0.836 19664
106 1 7 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.237 -0.653 19664
107 1 7 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
108 1 7 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664
109 1 7 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.345 -1.259 19664
110 1 7 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664
111 1 7 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.030 1.443 19664
112 1 7 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.185 -0.497 19664
113 1 8 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.510 -1.637 19664
114 1 8 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664
115 1 8 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.476 0.703 19664
116 1 8 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.117 1.315 19664
117 1 8 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.174 -1.237 19664
118 1 8 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664
119 1 8 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664
120 1 8 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664
121 1 8 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
122 1 8 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.235 -0.651 19664
123 1 8 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.066 -0.962 19664
124 1 8 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
125 1 8 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.342 -1.256 19664
126 1 8 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664
127 1 8 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.081 1.392 19664
128 1 8 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.182 -0.494 19664
129 1 9 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.507 -1.634 19664
130 1 9 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664
131 1 9 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.479 0.700 19664
132 1 9 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
133 1 9 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
134 1 9 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664
135 1 9 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.248 19664
136 1 9 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.336 -0.769 19664
137 1 9 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
138 1 9 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
139 1 9 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
140 1 9 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664
141 1 9 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664
142 1 9 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664
143 1 9 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.030 1.443 19664
144 1 9 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.181 -0.493 19664
145 1 10 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.507 -1.634 19664
146 1 10 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664
147 1 10 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
148 1 10 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.116 1.316 19664
149 1 10 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.174 -1.237 19664
150 1 10 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.748 -1.422 19664
151 1 10 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
152 1 10 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664
153 1 10 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.380 -0.835 19664
154 1 10 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
155 1 10 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
156 1 10 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
157 1 10 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.341 -1.255 19664
158 1 10 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664
159 1 10 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.032 1.441 19664
160 1 10 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.181 -0.493 19664
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19664
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19664
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19664
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19664
5 1 1 "Average Difference" CB 16 1.272 0.749 1.061 19664
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19664
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19664
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19664
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19664
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19664
11 1 2 "Average Difference" CB 16 1.271 0.749 1.061 19664
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19664
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19664
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19664
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19664
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19664
17 1 3 "Average Difference" CB 16 1.272 0.749 1.061 19664
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19664
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19664
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19664
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19664
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19664
23 1 4 "Average Difference" CB 16 1.272 0.749 1.061 19664
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19664
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19664
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19664
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19664
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19664
29 1 5 "Average Difference" CB 16 1.275 0.757 1.059 19664
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19664
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19664
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19664
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19664
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19664
35 1 6 "Average Difference" CB 16 1.278 0.754 1.067 19664
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19664
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19664
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19664
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19664
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19664
41 1 7 "Average Difference" CB 16 1.272 0.749 1.061 19664
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19664
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19664
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19664
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19664
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19664
47 1 8 "Average Difference" CB 16 1.268 0.752 1.054 19664
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19664
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19664
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19664
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19664
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19664
53 1 9 "Average Difference" CB 16 1.271 0.749 1.061 19664
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19664
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19664
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19664
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19664
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19664
59 1 10 "Average Difference" CB 16 1.271 0.749 1.061 19664
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19664
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 19664
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664
2 1 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.468 -1.977 19664
3 1 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664
4 1 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664
5 1 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664
6 1 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664
7 1 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664
8 1 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664
9 1 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664
10 1 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664
11 1 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664
12 1 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664
13 1 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.341 -1.255 19664
14 1 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664
15 1 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.041 1.432 19664
16 1 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664
stop_
save_