data_19677
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19677
_Entry.PDB_ID 2MIF
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 19677
_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 2 2 GLU N N 2 124.384 124.384 122.068 2.316 19677
2 1 1 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.406 0.036 19677
3 1 1 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.209 -0.481 19677
4 1 1 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.951 -1.681 19677
5 1 1 . 1 1 2 2 GLU H H 2 8.830 8.830 8.496 0.334 19677
6 1 1 . 1 1 3 3 VAL N N 3 123.912 123.912 120.120 3.792 19677
7 1 1 . 1 1 3 3 VAL HA H 3 4.438 4.438 4.451 -0.013 19677
8 1 1 . 1 1 3 3 VAL CA C 3 59.978 59.978 59.370 0.608 19677
9 1 1 . 1 1 3 3 VAL CB C 3 32.662 32.662 32.068 0.594 19677
10 1 1 . 1 1 3 3 VAL H H 3 8.481 8.481 8.306 0.175 19677
11 1 1 . 1 1 4 4 PRO HA H 4 4.403 4.403 5.000 -0.597 19677
12 1 1 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.389 0.680 19677
13 1 1 . 1 1 5 5 SER N N 5 116.500 116.500 114.091 2.409 19677
14 1 1 . 1 1 5 5 SER HA H 5 4.455 4.455 4.616 -0.161 19677
15 1 1 . 1 1 5 5 SER CA C 5 58.370 58.370 58.280 0.090 19677
16 1 1 . 1 1 5 5 SER CB C 5 63.975 63.975 64.000 -0.025 19677
17 1 1 . 1 1 5 5 SER H H 5 8.412 8.412 8.529 -0.117 19677
18 1 1 . 1 1 6 6 GLY N N 6 110.732 110.732 110.305 0.427 19677
19 1 1 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.144 -0.539 19677
20 1 1 . 1 1 6 6 GLY H H 6 8.219 8.219 7.857 0.362 19677
21 1 1 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.391 0.053 19677
22 1 1 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.260 -0.801 19677
23 1 1 . 1 1 8 8 ASN N N 8 119.996 119.996 112.421 7.575 19677
24 1 1 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.974 -0.033 19677
25 1 1 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.352 0.079 19677
26 1 1 . 1 1 8 8 ASN CB C 8 38.773 38.773 39.793 -1.020 19677
27 1 1 . 1 1 8 8 ASN H H 8 8.547 8.547 7.948 0.599 19677
28 1 1 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.710 -0.277 19677
29 1 1 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.045 2.155 19677
30 1 1 . 1 1 10 10 SER N N 10 117.482 117.482 116.223 1.259 19677
31 1 1 . 1 1 10 10 SER HA H 10 4.469 4.469 4.447 0.022 19677
32 1 1 . 1 1 10 10 SER H H 10 8.229 8.229 8.619 -0.390 19677
33 1 1 . 1 1 11 11 SER N N 11 115.586 115.586 114.127 1.459 19677
34 1 1 . 1 1 11 11 SER HA H 11 4.459 4.459 4.548 -0.089 19677
35 1 1 . 1 1 11 11 SER CA C 11 58.370 58.370 58.893 -0.523 19677
36 1 1 . 1 1 11 11 SER CB C 11 63.975 63.975 63.883 0.092 19677
37 1 1 . 1 1 11 11 SER H H 11 8.369 8.369 8.019 0.350 19677
38 1 2 . 1 1 2 2 GLU N N 2 124.384 124.384 122.459 1.925 19677
39 1 2 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.279 0.163 19677
40 1 2 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.730 -1.002 19677
41 1 2 . 1 1 2 2 GLU CB C 2 29.270 29.270 29.982 -0.712 19677
42 1 2 . 1 1 2 2 GLU H H 2 8.830 8.830 8.566 0.264 19677
43 1 2 . 1 1 3 3 VAL N N 3 123.912 123.912 120.209 3.703 19677
44 1 2 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.815 0.623 19677
45 1 2 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.183 -2.205 19677
46 1 2 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.235 1.427 19677
47 1 2 . 1 1 3 3 VAL H H 3 8.481 8.481 8.113 0.368 19677
48 1 2 . 1 1 4 4 PRO HA H 4 4.403 4.403 5.163 -0.760 19677
49 1 2 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.002 1.067 19677
50 1 2 . 1 1 5 5 SER N N 5 116.500 116.500 114.079 2.421 19677
51 1 2 . 1 1 5 5 SER HA H 5 4.455 4.455 4.426 0.029 19677
52 1 2 . 1 1 5 5 SER CA C 5 58.370 58.370 58.960 -0.590 19677
53 1 2 . 1 1 5 5 SER CB C 5 63.975 63.975 63.854 0.121 19677
54 1 2 . 1 1 5 5 SER H H 5 8.412 8.412 8.723 -0.311 19677
55 1 2 . 1 1 6 6 GLY N N 6 110.732 110.732 109.087 1.645 19677
56 1 2 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.118 -0.513 19677
57 1 2 . 1 1 6 6 GLY H H 6 8.219 8.219 8.045 0.174 19677
58 1 2 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.338 0.106 19677
59 1 2 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.219 -0.760 19677
60 1 2 . 1 1 8 8 ASN N N 8 119.996 119.996 115.017 4.979 19677
61 1 2 . 1 1 8 8 ASN HA H 8 4.941 4.941 5.069 -0.128 19677
62 1 2 . 1 1 8 8 ASN CA C 8 51.431 51.431 49.992 1.439 19677
63 1 2 . 1 1 8 8 ASN CB C 8 38.773 38.773 40.503 -1.730 19677
64 1 2 . 1 1 8 8 ASN H H 8 8.547 8.547 7.987 0.560 19677
65 1 2 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.522 -0.089 19677
66 1 2 . 1 1 9 9 PRO CB C 9 32.200 32.200 32.458 -0.258 19677
67 1 2 . 1 1 10 10 SER N N 10 117.482 117.482 111.574 5.908 19677
68 1 2 . 1 1 10 10 SER HA H 10 4.469 4.469 4.030 0.439 19677
69 1 2 . 1 1 10 10 SER H H 10 8.229 8.229 8.955 -0.726 19677
70 1 2 . 1 1 11 11 SER N N 11 115.586 115.586 115.300 0.286 19677
71 1 2 . 1 1 11 11 SER HA H 11 4.459 4.459 4.681 -0.222 19677
72 1 2 . 1 1 11 11 SER CA C 11 58.370 58.370 58.048 0.322 19677
73 1 2 . 1 1 11 11 SER CB C 11 63.975 63.975 64.176 -0.201 19677
74 1 2 . 1 1 11 11 SER H H 11 8.369 8.369 7.965 0.404 19677
75 1 3 . 1 1 2 2 GLU N N 2 124.384 124.384 122.225 2.159 19677
76 1 3 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.560 -0.118 19677
77 1 3 . 1 1 2 2 GLU CA C 2 55.728 55.728 55.832 -0.104 19677
78 1 3 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.998 -1.728 19677
79 1 3 . 1 1 2 2 GLU H H 2 8.830 8.830 8.452 0.378 19677
80 1 3 . 1 1 3 3 VAL N N 3 123.912 123.912 122.772 1.140 19677
81 1 3 . 1 1 3 3 VAL HA H 3 4.438 4.438 4.357 0.081 19677
82 1 3 . 1 1 3 3 VAL CA C 3 59.978 59.978 60.257 -0.279 19677
83 1 3 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.743 0.919 19677
84 1 3 . 1 1 3 3 VAL H H 3 8.481 8.481 8.405 0.076 19677
85 1 3 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.812 -0.409 19677
86 1 3 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.209 0.860 19677
87 1 3 . 1 1 5 5 SER N N 5 116.500 116.500 114.302 2.198 19677
88 1 3 . 1 1 5 5 SER HA H 5 4.455 4.455 4.356 0.099 19677
89 1 3 . 1 1 5 5 SER CA C 5 58.370 58.370 59.395 -1.025 19677
90 1 3 . 1 1 5 5 SER CB C 5 63.975 63.975 63.569 0.406 19677
91 1 3 . 1 1 5 5 SER H H 5 8.412 8.412 8.770 -0.358 19677
92 1 3 . 1 1 6 6 GLY N N 6 110.732 110.732 109.614 1.118 19677
93 1 3 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.059 -0.454 19677
94 1 3 . 1 1 6 6 GLY H H 6 8.219 8.219 7.994 0.225 19677
95 1 3 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.309 0.135 19677
96 1 3 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.201 -0.742 19677
97 1 3 . 1 1 8 8 ASN N N 8 119.996 119.996 114.723 5.273 19677
98 1 3 . 1 1 8 8 ASN HA H 8 4.941 4.941 5.029 -0.088 19677
99 1 3 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.760 -0.329 19677
100 1 3 . 1 1 8 8 ASN CB C 8 38.773 38.773 40.798 -2.025 19677
101 1 3 . 1 1 8 8 ASN H H 8 8.547 8.547 7.877 0.670 19677
102 1 3 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.473 -0.040 19677
103 1 3 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.274 1.926 19677
104 1 3 . 1 1 10 10 SER N N 10 117.482 117.482 117.140 0.342 19677
105 1 3 . 1 1 10 10 SER HA H 10 4.469 4.469 4.612 -0.143 19677
106 1 3 . 1 1 10 10 SER H H 10 8.229 8.229 8.447 -0.218 19677
107 1 3 . 1 1 11 11 SER N N 11 115.586 115.586 116.139 -0.553 19677
108 1 3 . 1 1 11 11 SER HA H 11 4.459 4.459 4.148 0.311 19677
109 1 3 . 1 1 11 11 SER CA C 11 58.370 58.370 59.344 -0.974 19677
110 1 3 . 1 1 11 11 SER CB C 11 63.975 63.975 61.194 2.781 19677
111 1 3 . 1 1 11 11 SER H H 11 8.369 8.369 8.323 0.046 19677
112 1 4 . 1 1 2 2 GLU N N 2 124.384 124.384 121.372 3.012 19677
113 1 4 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.240 0.202 19677
114 1 4 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.205 -0.476 19677
115 1 4 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.249 -0.979 19677
116 1 4 . 1 1 2 2 GLU H H 2 8.830 8.830 8.243 0.587 19677
117 1 4 . 1 1 3 3 VAL N N 3 123.912 123.912 118.562 5.350 19677
118 1 4 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.839 0.599 19677
119 1 4 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.192 -2.214 19677
120 1 4 . 1 1 3 3 VAL CB C 3 32.662 32.662 30.795 1.867 19677
121 1 4 . 1 1 3 3 VAL H H 3 8.481 8.481 8.069 0.412 19677
122 1 4 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.784 -0.381 19677
123 1 4 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.401 0.668 19677
124 1 4 . 1 1 5 5 SER N N 5 116.500 116.500 113.739 2.761 19677
125 1 4 . 1 1 5 5 SER HA H 5 4.455 4.455 4.277 0.178 19677
126 1 4 . 1 1 5 5 SER CA C 5 58.370 58.370 60.241 -1.871 19677
127 1 4 . 1 1 5 5 SER CB C 5 63.975 63.975 63.748 0.226 19677
128 1 4 . 1 1 5 5 SER H H 5 8.412 8.412 8.280 0.132 19677
129 1 4 . 1 1 6 6 GLY N N 6 110.732 110.732 110.206 0.526 19677
130 1 4 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.269 -0.664 19677
131 1 4 . 1 1 6 6 GLY H H 6 8.219 8.219 8.283 -0.064 19677
132 1 4 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.300 0.144 19677
133 1 4 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.195 -0.736 19677
134 1 4 . 1 1 8 8 ASN N N 8 119.996 119.996 113.372 6.624 19677
135 1 4 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.984 -0.043 19677
136 1 4 . 1 1 8 8 ASN CA C 8 51.431 51.431 52.010 -0.579 19677
137 1 4 . 1 1 8 8 ASN CB C 8 38.773 38.773 40.252 -1.479 19677
138 1 4 . 1 1 8 8 ASN H H 8 8.547 8.547 8.023 0.524 19677
139 1 4 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.630 -0.197 19677
140 1 4 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.114 2.086 19677
141 1 4 . 1 1 10 10 SER N N 10 117.482 117.482 115.031 2.451 19677
142 1 4 . 1 1 10 10 SER HA H 10 4.469 4.469 4.576 -0.107 19677
143 1 4 . 1 1 10 10 SER H H 10 8.229 8.229 8.802 -0.573 19677
144 1 4 . 1 1 11 11 SER N N 11 115.586 115.586 117.160 -1.574 19677
145 1 4 . 1 1 11 11 SER HA H 11 4.459 4.459 4.765 -0.306 19677
146 1 4 . 1 1 11 11 SER CA C 11 58.370 58.370 58.561 -0.191 19677
147 1 4 . 1 1 11 11 SER CB C 11 63.975 63.975 65.389 -1.414 19677
148 1 4 . 1 1 11 11 SER H H 11 8.369 8.369 7.675 0.695 19677
149 1 5 . 1 1 2 2 GLU N N 2 124.384 124.384 123.503 0.881 19677
150 1 5 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.318 0.124 19677
151 1 5 . 1 1 2 2 GLU CA C 2 55.728 55.728 55.834 -0.106 19677
152 1 5 . 1 1 2 2 GLU CB C 2 29.270 29.270 28.282 0.988 19677
153 1 5 . 1 1 2 2 GLU H H 2 8.830 8.830 8.854 -0.024 19677
154 1 5 . 1 1 3 3 VAL N N 3 123.912 123.912 120.216 3.696 19677
155 1 5 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.837 0.601 19677
156 1 5 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.624 -2.646 19677
157 1 5 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.623 1.039 19677
158 1 5 . 1 1 3 3 VAL H H 3 8.481 8.481 8.247 0.234 19677
159 1 5 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.808 -0.405 19677
160 1 5 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.144 0.925 19677
161 1 5 . 1 1 5 5 SER N N 5 116.500 116.500 115.210 1.290 19677
162 1 5 . 1 1 5 5 SER HA H 5 4.455 4.455 4.536 -0.081 19677
163 1 5 . 1 1 5 5 SER CA C 5 58.370 58.370 58.659 -0.289 19677
164 1 5 . 1 1 5 5 SER CB C 5 63.975 63.975 63.441 0.534 19677
165 1 5 . 1 1 5 5 SER H H 5 8.412 8.412 8.789 -0.377 19677
166 1 5 . 1 1 6 6 GLY N N 6 110.732 110.732 109.939 0.793 19677
167 1 5 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.197 -0.592 19677
168 1 5 . 1 1 6 6 GLY H H 6 8.219 8.219 7.697 0.522 19677
169 1 5 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.229 0.215 19677
170 1 5 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.639 -1.180 19677
171 1 5 . 1 1 8 8 ASN N N 8 119.996 119.996 112.939 7.057 19677
172 1 5 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.560 0.381 19677
173 1 5 . 1 1 8 8 ASN CA C 8 51.431 51.431 50.953 0.478 19677
174 1 5 . 1 1 8 8 ASN CB C 8 38.773 38.773 38.556 0.217 19677
175 1 5 . 1 1 8 8 ASN H H 8 8.547 8.547 7.735 0.812 19677
176 1 5 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.615 -0.182 19677
177 1 5 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.250 1.950 19677
178 1 5 . 1 1 10 10 SER N N 10 117.482 117.482 116.439 1.043 19677
179 1 5 . 1 1 10 10 SER HA H 10 4.469 4.469 4.454 0.015 19677
180 1 5 . 1 1 10 10 SER H H 10 8.229 8.229 8.345 -0.116 19677
181 1 5 . 1 1 11 11 SER N N 11 115.586 115.586 113.355 2.231 19677
182 1 5 . 1 1 11 11 SER HA H 11 4.459 4.459 4.066 0.393 19677
183 1 5 . 1 1 11 11 SER CA C 11 58.370 58.370 59.605 -1.234 19677
184 1 5 . 1 1 11 11 SER CB C 11 63.975 63.975 62.401 1.574 19677
185 1 5 . 1 1 11 11 SER H H 11 8.369 8.369 7.789 0.580 19677
186 1 6 . 1 1 2 2 GLU N N 2 124.384 124.384 121.483 2.901 19677
187 1 6 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.620 -0.178 19677
188 1 6 . 1 1 2 2 GLU CA C 2 55.728 55.728 55.416 0.312 19677
189 1 6 . 1 1 2 2 GLU CB C 2 29.270 29.270 32.139 -2.869 19677
190 1 6 . 1 1 2 2 GLU H H 2 8.830 8.830 7.677 1.153 19677
191 1 6 . 1 1 3 3 VAL N N 3 123.912 123.912 123.848 0.064 19677
192 1 6 . 1 1 3 3 VAL HA H 3 4.438 4.438 4.350 0.088 19677
193 1 6 . 1 1 3 3 VAL CA C 3 59.978 59.978 60.943 -0.965 19677
194 1 6 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.907 0.755 19677
195 1 6 . 1 1 3 3 VAL H H 3 8.481 8.481 8.324 0.157 19677
196 1 6 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.805 -0.402 19677
197 1 6 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.213 0.856 19677
198 1 6 . 1 1 5 5 SER N N 5 116.500 116.500 114.202 2.298 19677
199 1 6 . 1 1 5 5 SER HA H 5 4.455 4.455 4.344 0.111 19677
200 1 6 . 1 1 5 5 SER CA C 5 58.370 58.370 59.535 -1.165 19677
201 1 6 . 1 1 5 5 SER CB C 5 63.975 63.975 64.451 -0.476 19677
202 1 6 . 1 1 5 5 SER H H 5 8.412 8.412 8.485 -0.073 19677
203 1 6 . 1 1 6 6 GLY N N 6 110.732 110.732 110.278 0.454 19677
204 1 6 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.330 -0.725 19677
205 1 6 . 1 1 6 6 GLY H H 6 8.219 8.219 8.273 -0.054 19677
206 1 6 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.294 0.150 19677
207 1 6 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.398 -0.939 19677
208 1 6 . 1 1 8 8 ASN N N 8 119.996 119.996 113.117 6.879 19677
209 1 6 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.911 0.030 19677
210 1 6 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.347 0.084 19677
211 1 6 . 1 1 8 8 ASN CB C 8 38.773 38.773 38.843 -0.070 19677
212 1 6 . 1 1 8 8 ASN H H 8 8.547 8.547 7.976 0.571 19677
213 1 6 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.440 -0.007 19677
214 1 6 . 1 1 9 9 PRO CB C 9 32.200 32.200 29.952 2.248 19677
215 1 6 . 1 1 10 10 SER N N 10 117.482 117.482 115.218 2.264 19677
216 1 6 . 1 1 10 10 SER HA H 10 4.469 4.469 4.561 -0.092 19677
217 1 6 . 1 1 10 10 SER H H 10 8.229 8.229 8.655 -0.426 19677
218 1 6 . 1 1 11 11 SER N N 11 115.586 115.586 117.821 -2.235 19677
219 1 6 . 1 1 11 11 SER HA H 11 4.459 4.459 4.579 -0.120 19677
220 1 6 . 1 1 11 11 SER CA C 11 58.370 58.370 58.501 -0.131 19677
221 1 6 . 1 1 11 11 SER CB C 11 63.975 63.975 63.366 0.609 19677
222 1 6 . 1 1 11 11 SER H H 11 8.369 8.369 8.002 0.367 19677
223 1 7 . 1 1 2 2 GLU N N 2 124.384 124.384 123.251 1.133 19677
224 1 7 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.291 0.151 19677
225 1 7 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.200 -0.471 19677
226 1 7 . 1 1 2 2 GLU CB C 2 29.270 29.270 28.477 0.794 19677
227 1 7 . 1 1 2 2 GLU H H 2 8.830 8.830 8.847 -0.017 19677
228 1 7 . 1 1 3 3 VAL N N 3 123.912 123.912 118.669 5.243 19677
229 1 7 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.755 0.683 19677
230 1 7 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.859 -2.881 19677
231 1 7 . 1 1 3 3 VAL CB C 3 32.662 32.662 30.416 2.245 19677
232 1 7 . 1 1 3 3 VAL H H 3 8.481 8.481 8.134 0.347 19677
233 1 7 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.841 -0.438 19677
234 1 7 . 1 1 4 4 PRO CA C 4 63.069 63.069 61.995 1.074 19677
235 1 7 . 1 1 5 5 SER N N 5 116.500 116.500 114.148 2.352 19677
236 1 7 . 1 1 5 5 SER HA H 5 4.455 4.455 4.471 -0.016 19677
237 1 7 . 1 1 5 5 SER CA C 5 58.370 58.370 58.616 -0.246 19677
238 1 7 . 1 1 5 5 SER CB C 5 63.975 63.975 63.324 0.651 19677
239 1 7 . 1 1 5 5 SER H H 5 8.412 8.412 8.737 -0.325 19677
240 1 7 . 1 1 6 6 GLY N N 6 110.732 110.732 109.477 1.255 19677
241 1 7 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.316 -0.711 19677
242 1 7 . 1 1 6 6 GLY H H 6 8.219 8.219 7.876 0.343 19677
243 1 7 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.146 0.298 19677
244 1 7 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.837 -1.378 19677
245 1 7 . 1 1 8 8 ASN N N 8 119.996 119.996 113.306 6.690 19677
246 1 7 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.666 0.275 19677
247 1 7 . 1 1 8 8 ASN CA C 8 51.431 51.431 50.640 0.791 19677
248 1 7 . 1 1 8 8 ASN CB C 8 38.773 38.773 38.012 0.761 19677
249 1 7 . 1 1 8 8 ASN H H 8 8.547 8.547 8.092 0.455 19677
250 1 7 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.605 -0.172 19677
251 1 7 . 1 1 9 9 PRO CB C 9 32.200 32.200 29.796 2.405 19677
252 1 7 . 1 1 10 10 SER N N 10 117.482 117.482 114.861 2.621 19677
253 1 7 . 1 1 10 10 SER HA H 10 4.469 4.469 4.367 0.102 19677
254 1 7 . 1 1 10 10 SER H H 10 8.229 8.229 8.516 -0.287 19677
255 1 7 . 1 1 11 11 SER N N 11 115.586 115.586 114.895 0.691 19677
256 1 7 . 1 1 11 11 SER HA H 11 4.459 4.459 4.568 -0.109 19677
257 1 7 . 1 1 11 11 SER CA C 11 58.370 58.370 58.129 0.241 19677
258 1 7 . 1 1 11 11 SER CB C 11 63.975 63.975 63.233 0.742 19677
259 1 7 . 1 1 11 11 SER H H 11 8.369 8.369 8.319 0.050 19677
260 1 8 . 1 1 2 2 GLU N N 2 124.384 124.384 123.618 0.766 19677
261 1 8 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.413 0.029 19677
262 1 8 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.334 -0.606 19677
263 1 8 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.579 -1.310 19677
264 1 8 . 1 1 2 2 GLU H H 2 8.830 8.830 8.358 0.471 19677
265 1 8 . 1 1 3 3 VAL N N 3 123.912 123.912 124.419 -0.507 19677
266 1 8 . 1 1 3 3 VAL HA H 3 4.438 4.438 4.280 0.158 19677
267 1 8 . 1 1 3 3 VAL CA C 3 59.978 59.978 60.654 -0.676 19677
268 1 8 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.650 1.012 19677
269 1 8 . 1 1 3 3 VAL H H 3 8.481 8.481 8.270 0.211 19677
270 1 8 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.669 -0.266 19677
271 1 8 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.298 0.771 19677
272 1 8 . 1 1 5 5 SER N N 5 116.500 116.500 113.736 2.764 19677
273 1 8 . 1 1 5 5 SER HA H 5 4.455 4.455 4.396 0.059 19677
274 1 8 . 1 1 5 5 SER CA C 5 58.370 58.370 58.866 -0.496 19677
275 1 8 . 1 1 5 5 SER CB C 5 63.975 63.975 63.196 0.779 19677
276 1 8 . 1 1 5 5 SER H H 5 8.412 8.412 8.415 -0.003 19677
277 1 8 . 1 1 6 6 GLY N N 6 110.732 110.732 109.365 1.367 19677
278 1 8 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.088 -0.483 19677
279 1 8 . 1 1 6 6 GLY H H 6 8.219 8.219 7.843 0.376 19677
280 1 8 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.310 0.134 19677
281 1 8 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.398 -0.939 19677
282 1 8 . 1 1 8 8 ASN N N 8 119.996 119.996 113.459 6.537 19677
283 1 8 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.999 -0.058 19677
284 1 8 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.480 -0.049 19677
285 1 8 . 1 1 8 8 ASN CB C 8 38.773 38.773 40.656 -1.883 19677
286 1 8 . 1 1 8 8 ASN H H 8 8.547 8.547 7.857 0.690 19677
287 1 8 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.664 -0.231 19677
288 1 8 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.776 1.424 19677
289 1 8 . 1 1 10 10 SER N N 10 117.482 117.482 118.588 -1.106 19677
290 1 8 . 1 1 10 10 SER HA H 10 4.469 4.469 4.556 -0.087 19677
291 1 8 . 1 1 10 10 SER H H 10 8.229 8.229 8.491 -0.262 19677
292 1 8 . 1 1 11 11 SER N N 11 115.586 115.586 115.891 -0.305 19677
293 1 8 . 1 1 11 11 SER HA H 11 4.459 4.459 4.149 0.310 19677
294 1 8 . 1 1 11 11 SER CA C 11 58.370 58.370 58.974 -0.604 19677
295 1 8 . 1 1 11 11 SER CB C 11 63.975 63.975 62.289 1.686 19677
296 1 8 . 1 1 11 11 SER H H 11 8.369 8.369 8.619 -0.250 19677
297 1 9 . 1 1 2 2 GLU N N 2 124.384 124.384 121.065 3.319 19677
298 1 9 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.456 -0.014 19677
299 1 9 . 1 1 2 2 GLU CA C 2 55.728 55.728 55.715 0.013 19677
300 1 9 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.258 -0.988 19677
301 1 9 . 1 1 2 2 GLU H H 2 8.830 8.830 8.455 0.375 19677
302 1 9 . 1 1 3 3 VAL N N 3 123.912 123.912 120.116 3.796 19677
303 1 9 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.853 0.585 19677
304 1 9 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.436 -2.458 19677
305 1 9 . 1 1 3 3 VAL CB C 3 32.662 32.662 30.870 1.792 19677
306 1 9 . 1 1 3 3 VAL H H 3 8.481 8.481 7.946 0.535 19677
307 1 9 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.690 -0.287 19677
308 1 9 . 1 1 4 4 PRO CA C 4 63.069 63.069 61.988 1.081 19677
309 1 9 . 1 1 5 5 SER N N 5 116.500 116.500 114.258 2.242 19677
310 1 9 . 1 1 5 5 SER HA H 5 4.455 4.455 4.550 -0.095 19677
311 1 9 . 1 1 5 5 SER CA C 5 58.370 58.370 58.381 -0.011 19677
312 1 9 . 1 1 5 5 SER CB C 5 63.975 63.975 63.583 0.392 19677
313 1 9 . 1 1 5 5 SER H H 5 8.412 8.412 8.350 0.062 19677
314 1 9 . 1 1 6 6 GLY N N 6 110.732 110.732 110.527 0.205 19677
315 1 9 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.031 -0.426 19677
316 1 9 . 1 1 6 6 GLY H H 6 8.219 8.219 7.882 0.337 19677
317 1 9 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.332 0.112 19677
318 1 9 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.407 -0.948 19677
319 1 9 . 1 1 8 8 ASN N N 8 119.996 119.996 112.396 7.600 19677
320 1 9 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.873 0.068 19677
321 1 9 . 1 1 8 8 ASN CA C 8 51.431 51.431 50.893 0.538 19677
322 1 9 . 1 1 8 8 ASN CB C 8 38.773 38.773 39.504 -0.731 19677
323 1 9 . 1 1 8 8 ASN H H 8 8.547 8.547 7.850 0.697 19677
324 1 9 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.480 -0.047 19677
325 1 9 . 1 1 9 9 PRO CB C 9 32.200 32.200 32.030 0.170 19677
326 1 9 . 1 1 10 10 SER N N 10 117.482 117.482 112.308 5.174 19677
327 1 9 . 1 1 10 10 SER HA H 10 4.469 4.469 4.159 0.310 19677
328 1 9 . 1 1 10 10 SER H H 10 8.229 8.229 8.668 -0.439 19677
329 1 9 . 1 1 11 11 SER N N 11 115.586 115.586 116.264 -0.678 19677
330 1 9 . 1 1 11 11 SER HA H 11 4.459 4.459 4.701 -0.242 19677
331 1 9 . 1 1 11 11 SER CA C 11 58.370 58.370 57.966 0.404 19677
332 1 9 . 1 1 11 11 SER CB C 11 63.975 63.975 64.828 -0.853 19677
333 1 9 . 1 1 11 11 SER H H 11 8.369 8.369 8.108 0.261 19677
334 1 10 . 1 1 2 2 GLU N N 2 124.384 124.384 120.768 3.616 19677
335 1 10 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.369 0.073 19677
336 1 10 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.425 -0.697 19677
337 1 10 . 1 1 2 2 GLU CB C 2 29.270 29.270 29.463 -0.193 19677
338 1 10 . 1 1 2 2 GLU H H 2 8.830 8.830 8.057 0.773 19677
339 1 10 . 1 1 3 3 VAL N N 3 123.912 123.912 120.446 3.466 19677
340 1 10 . 1 1 3 3 VAL HA H 3 4.438 4.438 3.810 0.628 19677
341 1 10 . 1 1 3 3 VAL CA C 3 59.978 59.978 62.543 -2.565 19677
342 1 10 . 1 1 3 3 VAL CB C 3 32.662 32.662 32.018 0.644 19677
343 1 10 . 1 1 3 3 VAL H H 3 8.481 8.481 8.010 0.471 19677
344 1 10 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.652 -0.249 19677
345 1 10 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.372 0.697 19677
346 1 10 . 1 1 5 5 SER N N 5 116.500 116.500 114.038 2.462 19677
347 1 10 . 1 1 5 5 SER HA H 5 4.455 4.455 4.250 0.205 19677
348 1 10 . 1 1 5 5 SER CA C 5 58.370 58.370 59.845 -1.475 19677
349 1 10 . 1 1 5 5 SER CB C 5 63.975 63.975 63.353 0.622 19677
350 1 10 . 1 1 5 5 SER H H 5 8.412 8.412 8.607 -0.195 19677
351 1 10 . 1 1 6 6 GLY N N 6 110.732 110.732 109.255 1.477 19677
352 1 10 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.004 -0.399 19677
353 1 10 . 1 1 6 6 GLY H H 6 8.219 8.219 7.958 0.261 19677
354 1 10 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.325 0.119 19677
355 1 10 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.124 -0.665 19677
356 1 10 . 1 1 8 8 ASN N N 8 119.996 119.996 114.930 5.066 19677
357 1 10 . 1 1 8 8 ASN HA H 8 4.941 4.941 5.061 -0.120 19677
358 1 10 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.054 0.377 19677
359 1 10 . 1 1 8 8 ASN CB C 8 38.773 38.773 40.871 -2.098 19677
360 1 10 . 1 1 8 8 ASN H H 8 8.547 8.547 8.269 0.278 19677
361 1 10 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.631 -0.198 19677
362 1 10 . 1 1 9 9 PRO CB C 9 32.200 32.200 29.638 2.562 19677
363 1 10 . 1 1 10 10 SER N N 10 117.482 117.482 116.084 1.398 19677
364 1 10 . 1 1 10 10 SER HA H 10 4.469 4.469 4.571 -0.102 19677
365 1 10 . 1 1 10 10 SER H H 10 8.229 8.229 8.343 -0.114 19677
366 1 10 . 1 1 11 11 SER N N 11 115.586 115.586 114.079 1.507 19677
367 1 10 . 1 1 11 11 SER HA H 11 4.459 4.459 4.054 0.405 19677
368 1 10 . 1 1 11 11 SER CA C 11 58.370 58.370 59.304 -0.934 19677
369 1 10 . 1 1 11 11 SER CB C 11 63.975 63.975 61.265 2.710 19677
370 1 10 . 1 1 11 11 SER H H 11 8.369 8.369 8.541 -0.172 19677
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 7 3.522 -2.748 2.379 19677
2 1 1 "Average Difference" HA 11 0.261 0.029 0.272 19677
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19677
4 1 1 "Average Difference" CA 8 0.534 0.111 0.559 19677
5 1 1 "Average Difference" CB 6 1.216 -0.019 1.332 19677
6 1 1 "Average Difference" HN 7 0.363 -0.188 0.335 19677
7 1 2 "Average Difference" N 7 3.500 -2.981 1.981 19677
8 1 2 "Average Difference" HA 11 0.366 -0.072 0.376 19677
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19677
10 1 2 "Average Difference" CA 8 1.138 0.280 1.180 19677
11 1 2 "Average Difference" CB 6 0.971 0.226 1.035 19677
12 1 2 "Average Difference" HN 7 0.437 -0.105 0.458 19677
13 1 3 "Average Difference" N 7 2.398 -1.668 1.861 19677
14 1 3 "Average Difference" HA 11 0.223 -0.042 0.230 19677
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19677
16 1 3 "Average Difference" CA 8 0.679 0.381 0.601 19677
17 1 3 "Average Difference" CB 6 1.805 -0.380 1.933 19677
18 1 3 "Average Difference" HN 7 0.344 -0.117 0.349 19677
19 1 4 "Average Difference" N 7 3.741 -2.736 2.756 19677
20 1 4 "Average Difference" HA 11 0.286 -0.059 0.294 19677
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19677
22 1 4 "Average Difference" CA 8 1.142 0.758 0.913 19677
23 1 4 "Average Difference" CB 6 1.474 -0.051 1.614 19677
24 1 4 "Average Difference" HN 7 0.481 -0.245 0.447 19677
25 1 5 "Average Difference" N 7 3.220 -2.427 2.286 19677
26 1 5 "Average Difference" HA 11 0.321 -0.155 0.295 19677
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19677
28 1 5 "Average Difference" CA 8 1.196 0.581 1.118 19677
29 1 5 "Average Difference" CB 6 1.202 -1.050 0.640 19677
30 1 5 "Average Difference" HN 7 0.460 -0.233 0.428 19677
31 1 6 "Average Difference" N 7 3.193 -1.804 2.845 19677
32 1 6 "Average Difference" HA 11 0.194 -0.012 0.203 19677
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19677
34 1 6 "Average Difference" CA 8 0.754 0.334 0.723 19677
35 1 6 "Average Difference" CB 6 1.552 -0.033 1.700 19677
36 1 6 "Average Difference" HN 7 0.535 -0.242 0.516 19677
37 1 7 "Average Difference" N 7 3.545 -2.855 2.270 19677
38 1 7 "Average Difference" HA 11 0.319 -0.130 0.305 19677
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19677
40 1 7 "Average Difference" CA 8 1.266 0.448 1.266 19677
41 1 7 "Average Difference" CB 6 1.472 -1.266 0.823 19677
42 1 7 "Average Difference" HN 7 0.301 -0.081 0.313 19677
43 1 8 "Average Difference" N 7 2.788 -1.359 2.629 19677
44 1 8 "Average Difference" HA 11 0.219 -0.069 0.219 19677
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19677
46 1 8 "Average Difference" CA 8 0.627 0.385 0.529 19677
47 1 8 "Average Difference" CB 6 1.400 -0.285 1.502 19677
48 1 8 "Average Difference" HN 7 0.381 -0.176 0.365 19677
49 1 9 "Average Difference" N 7 4.062 -3.094 2.842 19677
50 1 9 "Average Difference" HA 11 0.286 -0.105 0.279 19677
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19677
52 1 9 "Average Difference" CA 8 1.045 0.226 1.091 19677
53 1 9 "Average Difference" CB 6 0.969 0.036 1.061 19677
54 1 9 "Average Difference" HN 7 0.430 -0.261 0.368 19677
55 1 10 "Average Difference" N 7 3.005 -2.713 1.396 19677
56 1 10 "Average Difference" HA 11 0.293 -0.127 0.277 19677
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19677
58 1 10 "Average Difference" CA 8 1.191 0.707 1.024 19677
59 1 10 "Average Difference" CB 6 1.786 -0.708 1.797 19677
60 1 10 "Average Difference" HN 7 0.386 -0.186 0.366 19677
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 19677
_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 2 2 GLU N N 2 124.384 124.384 122.181 2.203 19677
2 1 . 1 1 2 2 GLU HA H 2 4.442 4.442 4.395 0.047 19677
3 1 . 1 1 2 2 GLU CA C 2 55.728 55.728 56.090 -0.362 19677
4 1 . 1 1 2 2 GLU CB C 2 29.270 29.270 30.138 -0.868 19677
5 1 . 1 1 2 2 GLU H H 2 8.830 8.830 8.401 0.429 19677
6 1 . 1 1 3 3 VAL N N 3 123.912 123.912 120.938 2.974 19677
7 1 . 1 1 3 3 VAL HA H 3 4.438 4.438 4.035 0.403 19677
8 1 . 1 1 3 3 VAL CA C 3 59.978 59.978 61.606 -1.628 19677
9 1 . 1 1 3 3 VAL CB C 3 32.662 32.662 31.433 1.229 19677
10 1 . 1 1 3 3 VAL H H 3 8.481 8.481 8.182 0.299 19677
11 1 . 1 1 4 4 PRO HA H 4 4.403 4.403 4.822 -0.419 19677
12 1 . 1 1 4 4 PRO CA C 4 63.069 63.069 62.201 0.868 19677
13 1 . 1 1 5 5 SER N N 5 116.500 116.500 114.180 2.320 19677
14 1 . 1 1 5 5 SER HA H 5 4.455 4.455 4.422 0.033 19677
15 1 . 1 1 5 5 SER CA C 5 58.370 58.370 59.078 -0.708 19677
16 1 . 1 1 5 5 SER CB C 5 63.975 63.975 63.652 0.323 19677
17 1 . 1 1 5 5 SER H H 5 8.412 8.412 8.569 -0.157 19677
18 1 . 1 1 6 6 GLY N N 6 110.732 110.732 109.805 0.927 19677
19 1 . 1 1 6 6 GLY CA C 6 44.605 44.605 45.156 -0.551 19677
20 1 . 1 1 6 6 GLY H H 6 8.219 8.219 7.971 0.248 19677
21 1 . 1 1 7 7 PRO HA H 7 4.444 4.444 4.297 0.147 19677
22 1 . 1 1 7 7 PRO CA C 7 63.459 63.459 64.368 -0.909 19677
23 1 . 1 1 8 8 ASN N N 8 119.996 119.996 113.568 6.428 19677
24 1 . 1 1 8 8 ASN HA H 8 4.941 4.941 4.913 0.028 19677
25 1 . 1 1 8 8 ASN CA C 8 51.431 51.431 51.148 0.283 19677
26 1 . 1 1 8 8 ASN CB C 8 38.773 38.773 39.779 -1.006 19677
27 1 . 1 1 8 8 ASN H H 8 8.547 8.547 7.961 0.586 19677
28 1 . 1 1 9 9 PRO HA H 9 4.433 4.433 4.577 -0.144 19677
29 1 . 1 1 9 9 PRO CB C 9 32.200 32.200 30.533 1.667 19677
30 1 . 1 1 10 10 SER N N 10 117.482 117.482 115.347 2.135 19677
31 1 . 1 1 10 10 SER HA H 10 4.469 4.469 4.433 0.036 19677
32 1 . 1 1 10 10 SER H H 10 8.229 8.229 8.584 -0.355 19677
33 1 . 1 1 11 11 SER N N 11 115.586 115.586 115.503 0.083 19677
34 1 . 1 1 11 11 SER HA H 11 4.459 4.459 4.426 0.033 19677
35 1 . 1 1 11 11 SER CA C 11 58.370 58.370 58.732 -0.362 19677
36 1 . 1 1 11 11 SER CB C 11 63.975 63.975 63.202 0.773 19677
37 1 . 1 1 11 11 SER H H 11 8.369 8.369 8.136 0.233 19677
stop_
save_