data_25465
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25465
_Entry.PDB_ID 2MYZ
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 25465
_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 12 12 ALA N N 12 119.200 119.200 123.891 -4.691 25465
2 1 1 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.249 -0.307 25465
3 1 1 . 1 1 12 12 ALA C C 12 182.620 182.620 177.539 5.081 25465
4 1 1 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.951 1.080 25465
5 1 1 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.027 -1.195 25465
6 1 1 . 1 1 12 12 ALA H H 12 7.813 7.813 8.266 -0.453 25465
7 1 1 . 1 1 16 16 ALA N N 16 120.400 120.400 124.658 -4.258 25465
8 1 1 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.947 0.227 25465
9 1 1 . 1 1 16 16 ALA C C 16 178.620 178.620 178.493 0.127 25465
10 1 1 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.860 -0.054 25465
11 1 1 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.906 -0.400 25465
12 1 1 . 1 1 16 16 ALA H H 16 7.684 7.684 8.100 -0.416 25465
13 1 2 . 1 1 12 12 ALA N N 12 119.200 119.200 124.345 -5.145 25465
14 1 2 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.338 -0.396 25465
15 1 2 . 1 1 12 12 ALA C C 12 182.620 182.620 178.340 4.280 25465
16 1 2 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.714 1.317 25465
17 1 2 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.224 -1.392 25465
18 1 2 . 1 1 12 12 ALA H H 12 7.813 7.813 8.159 -0.346 25465
19 1 2 . 1 1 16 16 ALA N N 16 120.400 120.400 124.402 -4.002 25465
20 1 2 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.938 0.236 25465
21 1 2 . 1 1 16 16 ALA C C 16 178.620 178.620 178.418 0.202 25465
22 1 2 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.348 0.458 25465
23 1 2 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.016 -0.510 25465
24 1 2 . 1 1 16 16 ALA H H 16 7.684 7.684 7.989 -0.305 25465
25 1 3 . 1 1 12 12 ALA N N 12 119.200 119.200 124.422 -5.222 25465
26 1 3 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.114 -0.172 25465
27 1 3 . 1 1 12 12 ALA C C 12 182.620 182.620 177.492 5.128 25465
28 1 3 . 1 1 12 12 ALA CA C 12 55.031 55.031 52.865 2.166 25465
29 1 3 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.591 -1.759 25465
30 1 3 . 1 1 12 12 ALA H H 12 7.813 7.813 7.793 0.020 25465
31 1 3 . 1 1 16 16 ALA N N 16 120.400 120.400 124.443 -4.043 25465
32 1 3 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.973 0.201 25465
33 1 3 . 1 1 16 16 ALA C C 16 178.620 178.620 178.433 0.187 25465
34 1 3 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.746 0.060 25465
35 1 3 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.992 -0.486 25465
36 1 3 . 1 1 16 16 ALA H H 16 7.684 7.684 8.186 -0.502 25465
37 1 4 . 1 1 12 12 ALA N N 12 119.200 119.200 123.976 -4.776 25465
38 1 4 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.281 -0.339 25465
39 1 4 . 1 1 12 12 ALA C C 12 182.620 182.620 177.889 4.731 25465
40 1 4 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.771 1.260 25465
41 1 4 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.135 -1.303 25465
42 1 4 . 1 1 12 12 ALA H H 12 7.813 7.813 8.123 -0.310 25465
43 1 4 . 1 1 16 16 ALA N N 16 120.400 120.400 124.625 -4.225 25465
44 1 4 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.986 0.188 25465
45 1 4 . 1 1 16 16 ALA C C 16 178.620 178.620 178.241 0.379 25465
46 1 4 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.920 -0.114 25465
47 1 4 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.980 -0.474 25465
48 1 4 . 1 1 16 16 ALA H H 16 7.684 7.684 8.011 -0.328 25465
49 1 5 . 1 1 12 12 ALA N N 12 119.200 119.200 124.358 -5.158 25465
50 1 5 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.396 -0.454 25465
51 1 5 . 1 1 12 12 ALA C C 12 182.620 182.620 178.351 4.269 25465
52 1 5 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.602 1.429 25465
53 1 5 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.424 -1.592 25465
54 1 5 . 1 1 12 12 ALA H H 12 7.813 7.813 8.249 -0.436 25465
55 1 5 . 1 1 16 16 ALA N N 16 120.400 120.400 124.618 -4.218 25465
56 1 5 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.967 0.207 25465
57 1 5 . 1 1 16 16 ALA C C 16 178.620 178.620 178.457 0.163 25465
58 1 5 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.811 -0.005 25465
59 1 5 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.977 -0.471 25465
60 1 5 . 1 1 16 16 ALA H H 16 7.684 7.684 8.185 -0.501 25465
61 1 6 . 1 1 12 12 ALA N N 12 119.200 119.200 123.949 -4.749 25465
62 1 6 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.244 -0.302 25465
63 1 6 . 1 1 12 12 ALA C C 12 182.620 182.620 177.681 4.939 25465
64 1 6 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.525 1.506 25465
65 1 6 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.284 -1.452 25465
66 1 6 . 1 1 12 12 ALA H H 12 7.813 7.813 8.340 -0.527 25465
67 1 6 . 1 1 16 16 ALA N N 16 120.400 120.400 124.581 -4.181 25465
68 1 6 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.931 0.243 25465
69 1 6 . 1 1 16 16 ALA C C 16 178.620 178.620 178.466 0.154 25465
70 1 6 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.895 -0.089 25465
71 1 6 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.963 -0.457 25465
72 1 6 . 1 1 16 16 ALA H H 16 7.684 7.684 8.263 -0.579 25465
73 1 7 . 1 1 12 12 ALA N N 12 119.200 119.200 124.616 -5.416 25465
74 1 7 . 1 1 12 12 ALA HA H 12 3.942 3.942 3.959 -0.017 25465
75 1 7 . 1 1 12 12 ALA C C 12 182.620 182.620 177.642 4.978 25465
76 1 7 . 1 1 12 12 ALA CA C 12 55.031 55.031 52.917 2.114 25465
77 1 7 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.331 -1.500 25465
78 1 7 . 1 1 12 12 ALA H H 12 7.813 7.813 7.769 0.044 25465
79 1 7 . 1 1 16 16 ALA N N 16 120.400 120.400 123.659 -3.259 25465
80 1 7 . 1 1 16 16 ALA HA H 16 4.174 4.174 4.015 0.159 25465
81 1 7 . 1 1 16 16 ALA C C 16 178.620 178.620 178.043 0.577 25465
82 1 7 . 1 1 16 16 ALA CA C 16 53.806 53.806 54.061 -0.255 25465
83 1 7 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.223 -0.717 25465
84 1 7 . 1 1 16 16 ALA H H 16 7.684 7.684 8.269 -0.585 25465
85 1 8 . 1 1 12 12 ALA N N 12 119.200 119.200 124.082 -4.882 25465
86 1 8 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.332 -0.390 25465
87 1 8 . 1 1 12 12 ALA C C 12 182.620 182.620 178.075 4.545 25465
88 1 8 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.072 1.959 25465
89 1 8 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.439 -1.607 25465
90 1 8 . 1 1 12 12 ALA H H 12 7.813 7.813 8.042 -0.229 25465
91 1 8 . 1 1 16 16 ALA N N 16 120.400 120.400 124.792 -4.392 25465
92 1 8 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.947 0.227 25465
93 1 8 . 1 1 16 16 ALA C C 16 178.620 178.620 178.321 0.299 25465
94 1 8 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.861 -0.055 25465
95 1 8 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.988 -0.482 25465
96 1 8 . 1 1 16 16 ALA H H 16 7.684 7.684 8.426 -0.742 25465
97 1 9 . 1 1 12 12 ALA N N 12 119.200 119.200 123.997 -4.797 25465
98 1 9 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.033 -0.091 25465
99 1 9 . 1 1 12 12 ALA C C 12 182.620 182.620 177.805 4.815 25465
100 1 9 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.249 1.782 25465
101 1 9 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.345 -1.513 25465
102 1 9 . 1 1 12 12 ALA H H 12 7.813 7.813 8.041 -0.228 25465
103 1 9 . 1 1 16 16 ALA N N 16 120.400 120.400 124.995 -4.595 25465
104 1 9 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.958 0.216 25465
105 1 9 . 1 1 16 16 ALA C C 16 178.620 178.620 177.944 0.676 25465
106 1 9 . 1 1 16 16 ALA CA C 16 53.806 53.806 54.004 -0.198 25465
107 1 9 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.033 -0.527 25465
108 1 9 . 1 1 16 16 ALA H H 16 7.684 7.684 8.224 -0.540 25465
109 1 10 . 1 1 12 12 ALA N N 12 119.200 119.200 124.501 -5.301 25465
110 1 10 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.435 -0.493 25465
111 1 10 . 1 1 12 12 ALA C C 12 182.620 182.620 177.529 5.091 25465
112 1 10 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.096 1.935 25465
113 1 10 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.686 -1.854 25465
114 1 10 . 1 1 12 12 ALA H H 12 7.813 7.813 7.974 -0.161 25465
115 1 10 . 1 1 16 16 ALA N N 16 120.400 120.400 123.824 -3.424 25465
116 1 10 . 1 1 16 16 ALA HA H 16 4.174 4.174 4.002 0.172 25465
117 1 10 . 1 1 16 16 ALA C C 16 178.620 178.620 178.371 0.249 25465
118 1 10 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.952 -0.146 25465
119 1 10 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.180 -0.674 25465
120 1 10 . 1 1 16 16 ALA H H 16 7.684 7.684 8.147 -0.463 25465
121 1 11 . 1 1 12 12 ALA N N 12 119.200 119.200 124.763 -5.563 25465
122 1 11 . 1 1 12 12 ALA HA H 12 3.942 3.942 3.937 0.005 25465
123 1 11 . 1 1 12 12 ALA C C 12 182.620 182.620 177.974 4.646 25465
124 1 11 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.927 1.104 25465
125 1 11 . 1 1 12 12 ALA CB C 12 17.832 17.832 18.963 -1.131 25465
126 1 11 . 1 1 12 12 ALA H H 12 7.813 7.813 8.179 -0.366 25465
127 1 11 . 1 1 16 16 ALA N N 16 120.400 120.400 124.521 -4.121 25465
128 1 11 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.915 0.259 25465
129 1 11 . 1 1 16 16 ALA C C 16 178.620 178.620 178.269 0.351 25465
130 1 11 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.334 0.472 25465
131 1 11 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.048 -0.542 25465
132 1 11 . 1 1 16 16 ALA H H 16 7.684 7.684 8.226 -0.542 25465
133 1 12 . 1 1 12 12 ALA N N 12 119.200 119.200 124.489 -5.289 25465
134 1 12 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.422 -0.480 25465
135 1 12 . 1 1 12 12 ALA C C 12 182.620 182.620 177.979 4.641 25465
136 1 12 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.488 1.543 25465
137 1 12 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.439 -1.607 25465
138 1 12 . 1 1 12 12 ALA H H 12 7.813 7.813 8.104 -0.291 25465
139 1 12 . 1 1 16 16 ALA N N 16 120.400 120.400 124.602 -4.202 25465
140 1 12 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.945 0.229 25465
141 1 12 . 1 1 16 16 ALA C C 16 178.620 178.620 178.406 0.214 25465
142 1 12 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.262 0.544 25465
143 1 12 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.105 -0.599 25465
144 1 12 . 1 1 16 16 ALA H H 16 7.684 7.684 8.206 -0.522 25465
145 1 13 . 1 1 12 12 ALA N N 12 119.200 119.200 124.534 -5.334 25465
146 1 13 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.098 -0.156 25465
147 1 13 . 1 1 12 12 ALA C C 12 182.620 182.620 177.847 4.773 25465
148 1 13 . 1 1 12 12 ALA CA C 12 55.031 55.031 52.974 2.057 25465
149 1 13 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.406 -1.574 25465
150 1 13 . 1 1 12 12 ALA H H 12 7.813 7.813 7.813 0.000 25465
151 1 13 . 1 1 16 16 ALA N N 16 120.400 120.400 124.372 -3.972 25465
152 1 13 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.997 0.177 25465
153 1 13 . 1 1 16 16 ALA C C 16 178.620 178.620 177.990 0.630 25465
154 1 13 . 1 1 16 16 ALA CA C 16 53.806 53.806 54.091 -0.285 25465
155 1 13 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.041 -0.535 25465
156 1 13 . 1 1 16 16 ALA H H 16 7.684 7.684 8.029 -0.345 25465
157 1 14 . 1 1 12 12 ALA N N 12 119.200 119.200 123.739 -4.539 25465
158 1 14 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.444 -0.502 25465
159 1 14 . 1 1 12 12 ALA C C 12 182.620 182.620 177.777 4.843 25465
160 1 14 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.425 1.606 25465
161 1 14 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.308 -1.476 25465
162 1 14 . 1 1 12 12 ALA H H 12 7.813 7.813 8.166 -0.353 25465
163 1 14 . 1 1 16 16 ALA N N 16 120.400 120.400 124.290 -3.890 25465
164 1 14 . 1 1 16 16 ALA HA H 16 4.174 4.174 4.048 0.126 25465
165 1 14 . 1 1 16 16 ALA C C 16 178.620 178.620 178.378 0.242 25465
166 1 14 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.995 -0.189 25465
167 1 14 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.160 -0.654 25465
168 1 14 . 1 1 16 16 ALA H H 16 7.684 7.684 8.365 -0.681 25465
169 1 15 . 1 1 12 12 ALA N N 12 119.200 119.200 124.301 -5.101 25465
170 1 15 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.070 -0.128 25465
171 1 15 . 1 1 12 12 ALA C C 12 182.620 182.620 177.438 5.182 25465
172 1 15 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.138 1.893 25465
173 1 15 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.472 -1.640 25465
174 1 15 . 1 1 12 12 ALA H H 12 7.813 7.813 7.862 -0.049 25465
175 1 15 . 1 1 16 16 ALA N N 16 120.400 120.400 124.553 -4.153 25465
176 1 15 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.995 0.179 25465
177 1 15 . 1 1 16 16 ALA C C 16 178.620 178.620 177.989 0.631 25465
178 1 15 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.948 -0.142 25465
179 1 15 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.985 -0.479 25465
180 1 15 . 1 1 16 16 ALA H H 16 7.684 7.684 7.936 -0.252 25465
181 1 16 . 1 1 12 12 ALA N N 12 119.200 119.200 123.756 -4.556 25465
182 1 16 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.362 -0.420 25465
183 1 16 . 1 1 12 12 ALA C C 12 182.620 182.620 177.489 5.131 25465
184 1 16 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.475 1.556 25465
185 1 16 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.222 -1.390 25465
186 1 16 . 1 1 12 12 ALA H H 12 7.813 7.813 8.137 -0.324 25465
187 1 16 . 1 1 16 16 ALA N N 16 120.400 120.400 124.818 -4.418 25465
188 1 16 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.978 0.196 25465
189 1 16 . 1 1 16 16 ALA C C 16 178.620 178.620 178.402 0.218 25465
190 1 16 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.755 0.051 25465
191 1 16 . 1 1 16 16 ALA CB C 16 18.506 18.506 18.999 -0.493 25465
192 1 16 . 1 1 16 16 ALA H H 16 7.684 7.684 8.281 -0.597 25465
193 1 17 . 1 1 12 12 ALA N N 12 119.200 119.200 123.876 -4.676 25465
194 1 17 . 1 1 12 12 ALA HA H 12 3.942 3.942 3.879 0.063 25465
195 1 17 . 1 1 12 12 ALA C C 12 182.620 182.620 178.204 4.416 25465
196 1 17 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.788 1.243 25465
197 1 17 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.084 -1.252 25465
198 1 17 . 1 1 12 12 ALA H H 12 7.813 7.813 7.939 -0.126 25465
199 1 17 . 1 1 16 16 ALA N N 16 120.400 120.400 123.815 -3.415 25465
200 1 17 . 1 1 16 16 ALA HA H 16 4.174 4.174 4.017 0.157 25465
201 1 17 . 1 1 16 16 ALA C C 16 178.620 178.620 177.605 1.015 25465
202 1 17 . 1 1 16 16 ALA CA C 16 53.806 53.806 54.101 -0.295 25465
203 1 17 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.100 -0.594 25465
204 1 17 . 1 1 16 16 ALA H H 16 7.684 7.684 8.174 -0.490 25465
205 1 18 . 1 1 12 12 ALA N N 12 119.200 119.200 124.455 -5.255 25465
206 1 18 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.364 -0.422 25465
207 1 18 . 1 1 12 12 ALA C C 12 182.620 182.620 177.823 4.797 25465
208 1 18 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.545 1.486 25465
209 1 18 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.408 -1.576 25465
210 1 18 . 1 1 12 12 ALA H H 12 7.813 7.813 8.479 -0.666 25465
211 1 18 . 1 1 16 16 ALA N N 16 120.400 120.400 124.434 -4.034 25465
212 1 18 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.985 0.189 25465
213 1 18 . 1 1 16 16 ALA C C 16 178.620 178.620 178.366 0.254 25465
214 1 18 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.789 0.017 25465
215 1 18 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.015 -0.509 25465
216 1 18 . 1 1 16 16 ALA H H 16 7.684 7.684 8.270 -0.586 25465
217 1 19 . 1 1 12 12 ALA N N 12 119.200 119.200 123.720 -4.520 25465
218 1 19 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.028 -0.086 25465
219 1 19 . 1 1 12 12 ALA C C 12 182.620 182.620 177.390 5.230 25465
220 1 19 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.742 1.289 25465
221 1 19 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.020 -1.188 25465
222 1 19 . 1 1 12 12 ALA H H 12 7.813 7.813 8.172 -0.359 25465
223 1 19 . 1 1 16 16 ALA N N 16 120.400 120.400 123.878 -3.478 25465
224 1 19 . 1 1 16 16 ALA HA H 16 4.174 4.174 4.003 0.171 25465
225 1 19 . 1 1 16 16 ALA C C 16 178.620 178.620 177.980 0.640 25465
226 1 19 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.921 -0.115 25465
227 1 19 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.211 -0.705 25465
228 1 19 . 1 1 16 16 ALA H H 16 7.684 7.684 8.286 -0.602 25465
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 2 4.480 4.474 0.306 25465
2 1 1 "Average Difference" HA 2 0.270 0.040 0.377 25465
3 1 1 "Average Difference" C 2 3.594 -2.604 3.503 25465
4 1 1 "Average Difference" CA 2 0.764 -0.513 0.802 25465
5 1 1 "Average Difference" CB 2 0.891 0.797 0.562 25465
6 1 1 "Average Difference" HN 2 0.435 0.435 0.026 25465
7 1 2 "Average Difference" N 2 4.609 4.574 0.808 25465
8 1 2 "Average Difference" HA 2 0.326 0.080 0.447 25465
9 1 2 "Average Difference" C 2 3.030 -2.241 2.884 25465
10 1 2 "Average Difference" CA 2 0.986 -0.888 0.607 25465
11 1 2 "Average Difference" CB 2 1.048 0.951 0.624 25465
12 1 2 "Average Difference" HN 2 0.326 0.326 0.029 25465
13 1 3 "Average Difference" N 2 4.670 4.632 0.834 25465
14 1 3 "Average Difference" HA 2 0.187 -0.014 0.263 25465
15 1 3 "Average Difference" C 2 3.628 -2.657 3.494 25465
16 1 3 "Average Difference" CA 2 1.532 -1.113 1.489 25465
17 1 3 "Average Difference" CB 2 1.290 1.122 0.900 25465
18 1 3 "Average Difference" HN 2 0.355 0.241 0.369 25465
19 1 4 "Average Difference" N 2 4.509 4.500 0.390 25465
20 1 4 "Average Difference" HA 2 0.274 0.076 0.373 25465
21 1 4 "Average Difference" C 2 3.356 -2.555 3.077 25465
22 1 4 "Average Difference" CA 2 0.894 -0.573 0.972 25465
23 1 4 "Average Difference" CB 2 0.980 0.888 0.586 25465
24 1 4 "Average Difference" HN 2 0.319 0.319 0.012 25465
25 1 5 "Average Difference" N 2 4.712 4.688 0.665 25465
26 1 5 "Average Difference" HA 2 0.353 0.124 0.467 25465
27 1 5 "Average Difference" C 2 3.021 -2.216 2.903 25465
28 1 5 "Average Difference" CA 2 1.010 -0.712 1.014 25465
29 1 5 "Average Difference" CB 2 1.174 1.031 0.792 25465
30 1 5 "Average Difference" HN 2 0.470 0.469 0.046 25465
31 1 6 "Average Difference" N 2 4.474 4.465 0.402 25465
32 1 6 "Average Difference" HA 2 0.274 0.030 0.385 25465
33 1 6 "Average Difference" C 2 3.494 -2.546 3.384 25465
34 1 6 "Average Difference" CA 2 1.067 -0.708 1.128 25465
35 1 6 "Average Difference" CB 2 1.077 0.955 0.704 25465
36 1 6 "Average Difference" HN 2 0.554 0.553 0.036 25465
37 1 7 "Average Difference" N 2 4.470 4.337 1.525 25465
38 1 7 "Average Difference" HA 2 0.113 -0.071 0.124 25465
39 1 7 "Average Difference" C 2 3.544 -2.777 3.112 25465
40 1 7 "Average Difference" CA 2 1.506 -0.930 1.675 25465
41 1 7 "Average Difference" CB 2 1.175 1.108 0.553 25465
42 1 7 "Average Difference" HN 2 0.415 0.271 0.445 25465
43 1 8 "Average Difference" N 2 4.643 4.637 0.346 25465
44 1 8 "Average Difference" HA 2 0.319 0.082 0.436 25465
45 1 8 "Average Difference" C 2 3.221 -2.422 3.002 25465
46 1 8 "Average Difference" CA 2 1.386 -0.952 1.424 25465
47 1 8 "Average Difference" CB 2 1.186 1.044 0.795 25465
48 1 8 "Average Difference" HN 2 0.549 0.486 0.363 25465
49 1 9 "Average Difference" N 2 4.697 4.696 0.143 25465
50 1 9 "Average Difference" HA 2 0.166 -0.063 0.217 25465
51 1 9 "Average Difference" C 2 3.438 -2.745 2.927 25465
52 1 9 "Average Difference" CA 2 1.268 -0.792 1.400 25465
53 1 9 "Average Difference" CB 2 1.133 1.020 0.697 25465
54 1 9 "Average Difference" HN 2 0.415 0.384 0.220 25465
55 1 10 "Average Difference" N 2 4.462 4.362 1.327 25465
56 1 10 "Average Difference" HA 2 0.369 0.160 0.470 25465
57 1 10 "Average Difference" C 2 3.604 -2.670 3.424 25465
58 1 10 "Average Difference" CA 2 1.372 -0.894 1.471 25465
59 1 10 "Average Difference" CB 2 1.395 1.264 0.834 25465
60 1 10 "Average Difference" HN 2 0.347 0.312 0.213 25465
61 1 11 "Average Difference" N 2 4.895 4.842 1.020 25465
62 1 11 "Average Difference" HA 2 0.183 -0.132 0.179 25465
63 1 11 "Average Difference" C 2 3.295 -2.498 3.037 25465
64 1 11 "Average Difference" CA 2 0.849 -0.788 0.447 25465
65 1 11 "Average Difference" CB 2 0.887 0.836 0.417 25465
66 1 11 "Average Difference" HN 2 0.463 0.454 0.125 25465
67 1 12 "Average Difference" N 2 4.777 4.745 0.769 25465
68 1 12 "Average Difference" HA 2 0.376 0.126 0.501 25465
69 1 12 "Average Difference" C 2 3.285 -2.427 3.130 25465
70 1 12 "Average Difference" CA 2 1.157 -1.043 0.706 25465
71 1 12 "Average Difference" CB 2 1.213 1.103 0.713 25465
72 1 12 "Average Difference" HN 2 0.423 0.407 0.164 25465
73 1 13 "Average Difference" N 2 4.703 4.653 0.963 25465
74 1 13 "Average Difference" HA 2 0.167 -0.011 0.235 25465
75 1 13 "Average Difference" C 2 3.404 -2.701 2.930 25465
76 1 13 "Average Difference" CA 2 1.468 -0.886 1.656 25465
77 1 13 "Average Difference" CB 2 1.176 1.055 0.735 25465
78 1 13 "Average Difference" HN 2 0.244 0.172 0.244 25465
79 1 14 "Average Difference" N 2 4.227 4.215 0.459 25465
80 1 14 "Average Difference" HA 2 0.366 0.188 0.444 25465
81 1 14 "Average Difference" C 2 3.429 -2.542 3.253 25465
82 1 14 "Average Difference" CA 2 1.144 -0.709 1.270 25465
83 1 14 "Average Difference" CB 2 1.141 1.065 0.581 25465
84 1 14 "Average Difference" HN 2 0.542 0.517 0.231 25465
85 1 15 "Average Difference" N 2 4.651 4.627 0.670 25465
86 1 15 "Average Difference" HA 2 0.156 -0.026 0.217 25465
87 1 15 "Average Difference" C 2 3.691 -2.906 3.218 25465
88 1 15 "Average Difference" CA 2 1.342 -0.876 1.439 25465
89 1 15 "Average Difference" CB 2 1.208 1.059 0.821 25465
90 1 15 "Average Difference" HN 2 0.182 0.151 0.144 25465
91 1 16 "Average Difference" N 2 4.488 4.487 0.098 25465
92 1 16 "Average Difference" HA 2 0.328 0.112 0.436 25465
93 1 16 "Average Difference" C 2 3.631 -2.674 3.474 25465
94 1 16 "Average Difference" CA 2 1.101 -0.804 1.064 25465
95 1 16 "Average Difference" CB 2 1.043 0.941 0.634 25465
96 1 16 "Average Difference" HN 2 0.481 0.461 0.193 25465
97 1 17 "Average Difference" N 2 4.094 4.046 0.892 25465
98 1 17 "Average Difference" HA 2 0.119 -0.110 0.066 25465
99 1 17 "Average Difference" C 2 3.204 -2.715 2.405 25465
100 1 17 "Average Difference" CA 2 0.903 -0.474 1.087 25465
101 1 17 "Average Difference" CB 2 0.980 0.923 0.466 25465
102 1 17 "Average Difference" HN 2 0.358 0.308 0.257 25465
103 1 18 "Average Difference" N 2 4.684 4.645 0.863 25465
104 1 18 "Average Difference" HA 2 0.327 0.116 0.432 25465
105 1 18 "Average Difference" C 2 3.397 -2.525 3.212 25465
106 1 18 "Average Difference" CA 2 1.051 -0.752 1.038 25465
107 1 18 "Average Difference" CB 2 1.171 1.043 0.754 25465
108 1 18 "Average Difference" HN 2 0.627 0.626 0.056 25465
109 1 19 "Average Difference" N 2 4.033 3.999 0.737 25465
110 1 19 "Average Difference" HA 2 0.135 -0.042 0.181 25465
111 1 19 "Average Difference" C 2 3.726 -2.935 3.246 25465
112 1 19 "Average Difference" CA 2 0.915 -0.587 0.993 25465
113 1 19 "Average Difference" CB 2 0.976 0.946 0.341 25465
114 1 19 "Average Difference" HN 2 0.496 0.480 0.171 25465
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 25465
_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 12 12 ALA N N 12 119.200 119.200 124.198 -4.998 25465
2 1 . 1 1 12 12 ALA HA H 12 3.942 3.942 4.210 -0.268 25465
3 1 . 1 1 12 12 ALA C C 12 182.620 182.620 177.803 4.817 25465
4 1 . 1 1 12 12 ALA CA C 12 55.031 55.031 53.435 1.596 25465
5 1 . 1 1 12 12 ALA CB C 12 17.832 17.832 19.306 -1.474 25465
6 1 . 1 1 12 12 ALA H H 12 7.813 7.813 8.085 -0.272 25465
7 1 . 1 1 16 16 ALA N N 16 120.400 120.400 124.415 -4.015 25465
8 1 . 1 1 16 16 ALA HA H 16 4.174 4.174 3.976 0.198 25465
9 1 . 1 1 16 16 ALA C C 16 178.620 178.620 178.241 0.379 25465
10 1 . 1 1 16 16 ALA CA C 16 53.806 53.806 53.824 -0.018 25465
11 1 . 1 1 16 16 ALA CB C 16 18.506 18.506 19.049 -0.543 25465
12 1 . 1 1 16 16 ALA H H 16 7.684 7.684 8.188 -0.504 25465
stop_
save_