data_25782
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25782
_Entry.PDB_ID 2N6U
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 25782
_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 LEU HA H 2 4.654 4.654 4.447 0.207 25782
2 1 1 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.322 -4.253 25782
3 1 1 . 1 1 2 2 LEU H H 2 8.218 8.218 8.561 -0.343 25782
4 1 1 . 1 1 3 3 THR HA H 3 4.427 4.427 4.163 0.264 25782
5 1 1 . 1 1 3 3 THR CA C 3 58.900 58.900 61.723 -2.823 25782
6 1 1 . 1 1 3 3 THR CB C 3 69.080 69.080 69.744 -0.664 25782
7 1 1 . 1 1 3 3 THR H H 3 7.153 7.153 7.603 -0.450 25782
8 1 1 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.557 1.244 25782
9 1 1 . 1 1 4 4 GLN CA C 4 51.903 51.903 53.917 -2.014 25782
10 1 1 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.213 -2.176 25782
11 1 1 . 1 1 4 4 GLN H H 4 8.138 8.138 8.150 -0.012 25782
12 1 1 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.365 -0.268 25782
13 1 1 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.303 -3.414 25782
14 1 1 . 1 1 5 5 ILE H H 5 7.613 7.613 7.329 0.284 25782
15 1 1 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.638 -0.365 25782
16 1 1 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.415 -1.848 25782
17 1 1 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.976 -3.166 25782
18 1 1 . 1 1 6 6 GLN H H 6 8.982 8.982 8.932 0.050 25782
19 1 1 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.492 -0.439 25782
20 1 1 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.356 -1.730 25782
21 1 1 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.482 -4.353 25782
22 1 1 . 1 1 7 7 ALA H H 7 8.226 8.226 8.380 -0.154 25782
23 1 1 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.304 -0.317 25782
24 1 1 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.783 -1.601 25782
25 1 1 . 1 1 8 8 LEU CB C 8 39.472 39.472 40.987 -1.515 25782
26 1 1 . 1 1 8 8 LEU H H 8 7.617 7.617 8.358 -0.741 25782
27 1 1 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.628 -0.264 25782
28 1 1 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.865 -3.448 25782
29 1 1 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.165 -1.133 25782
30 1 1 . 1 1 9 9 ASP H H 9 7.375 7.375 8.125 -0.750 25782
31 1 1 . 1 1 10 10 SER HA H 10 4.224 4.224 4.264 -0.040 25782
32 1 1 . 1 1 10 10 SER CA C 10 57.758 57.758 60.953 -3.195 25782
33 1 1 . 1 1 10 10 SER CB C 10 58.172 58.172 63.652 -5.480 25782
34 1 1 . 1 1 10 10 SER H H 10 9.635 9.635 8.582 1.053 25782
35 1 1 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.126 -0.082 25782
36 1 1 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.953 -0.845 25782
37 1 1 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.317 -2.913 25782
38 1 1 . 1 1 11 11 VAL H H 11 8.955 8.955 8.586 0.369 25782
39 1 1 . 1 1 12 12 SER HA H 12 4.483 4.483 4.572 -0.089 25782
40 1 1 . 1 1 12 12 SER CA C 12 55.522 55.522 57.866 -2.344 25782
41 1 1 . 1 1 12 12 SER CB C 12 61.278 61.278 65.167 -3.889 25782
42 1 1 . 1 1 12 12 SER H H 12 7.700 7.700 8.595 -0.895 25782
43 1 1 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782
44 1 1 . 1 1 13 13 GLY H H 13 8.790 8.790 8.251 0.539 25782
45 1 1 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.216 0.085 25782
46 1 1 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.589 -3.083 25782
47 1 1 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.656 -2.283 25782
48 1 1 . 1 1 14 14 GLN H H 14 8.160 8.160 8.247 -0.087 25782
49 1 1 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.263 0.134 25782
50 1 1 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.138 -2.634 25782
51 1 1 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.383 -3.348 25782
52 1 1 . 1 1 15 15 PHE H H 15 8.170 8.170 7.446 0.724 25782
53 1 1 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.333 -0.741 25782
54 1 1 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.757 -2.596 25782
55 1 1 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.924 -2.882 25782
56 1 1 . 1 1 16 16 ARG H H 16 8.904 8.904 8.800 0.104 25782
57 1 1 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.499 -0.168 25782
58 1 1 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.110 -5.593 25782
59 1 1 . 1 1 17 17 ASP H H 17 8.505 8.505 8.851 -0.346 25782
60 1 1 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.110 -0.221 25782
61 1 1 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.051 -3.805 25782
62 1 1 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.874 -2.371 25782
63 1 1 . 1 1 18 18 GLN H H 18 8.606 8.606 8.471 0.135 25782
64 1 1 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.131 0.142 25782
65 1 1 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.528 -3.161 25782
66 1 1 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.137 -2.497 25782
67 1 1 . 1 1 19 19 LEU H H 19 8.305 8.305 8.138 0.167 25782
68 1 2 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.403 0.251 25782
69 1 2 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.938 -3.869 25782
70 1 2 . 1 1 2 2 LEU H H 2 8.218 8.218 8.582 -0.364 25782
71 1 2 . 1 1 3 3 THR HA H 3 4.427 4.427 4.222 0.205 25782
72 1 2 . 1 1 3 3 THR CA C 3 58.900 58.900 61.612 -2.712 25782
73 1 2 . 1 1 3 3 THR CB C 3 69.080 69.080 69.793 -0.713 25782
74 1 2 . 1 1 3 3 THR H H 3 7.153 7.153 7.799 -0.646 25782
75 1 2 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.092 0.709 25782
76 1 2 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.345 -2.442 25782
77 1 2 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.934 -2.897 25782
78 1 2 . 1 1 4 4 GLN H H 4 8.138 8.138 8.260 -0.122 25782
79 1 2 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.213 -0.116 25782
80 1 2 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.247 -3.358 25782
81 1 2 . 1 1 5 5 ILE H H 5 7.613 7.613 7.053 0.560 25782
82 1 2 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.728 -0.455 25782
83 1 2 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.538 -1.971 25782
84 1 2 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.357 -2.547 25782
85 1 2 . 1 1 6 6 GLN H H 6 8.982 8.982 8.850 0.132 25782
86 1 2 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.595 -0.542 25782
87 1 2 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.466 -1.840 25782
88 1 2 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.492 -4.363 25782
89 1 2 . 1 1 7 7 ALA H H 7 8.226 8.226 8.501 -0.275 25782
90 1 2 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.506 -0.519 25782
91 1 2 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.042 -0.861 25782
92 1 2 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.953 -2.481 25782
93 1 2 . 1 1 8 8 LEU H H 8 7.617 7.617 8.223 -0.606 25782
94 1 2 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.694 -0.330 25782
95 1 2 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.398 -2.981 25782
96 1 2 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.273 -1.241 25782
97 1 2 . 1 1 9 9 ASP H H 9 7.375 7.375 8.422 -1.047 25782
98 1 2 . 1 1 10 10 SER HA H 10 4.224 4.224 4.186 0.038 25782
99 1 2 . 1 1 10 10 SER CA C 10 57.758 57.758 60.956 -3.198 25782
100 1 2 . 1 1 10 10 SER CB C 10 58.172 58.172 63.572 -5.401 25782
101 1 2 . 1 1 10 10 SER H H 10 9.635 9.635 9.170 0.465 25782
102 1 2 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.130 -0.086 25782
103 1 2 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.757 -0.649 25782
104 1 2 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.147 -2.743 25782
105 1 2 . 1 1 11 11 VAL H H 11 8.955 8.955 8.455 0.500 25782
106 1 2 . 1 1 12 12 SER HA H 12 4.483 4.483 4.635 -0.152 25782
107 1 2 . 1 1 12 12 SER CA C 12 55.522 55.522 57.481 -1.960 25782
108 1 2 . 1 1 12 12 SER CB C 12 61.278 61.278 65.392 -4.114 25782
109 1 2 . 1 1 12 12 SER H H 12 7.700 7.700 7.956 -0.256 25782
110 1 2 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.958 -2.672 25782
111 1 2 . 1 1 13 13 GLY H H 13 8.790 8.790 8.558 0.232 25782
112 1 2 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.399 -0.098 25782
113 1 2 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.587 -2.081 25782
114 1 2 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.702 -3.329 25782
115 1 2 . 1 1 14 14 GLN H H 14 8.160 8.160 8.057 0.103 25782
116 1 2 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.479 -0.082 25782
117 1 2 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.377 -1.873 25782
118 1 2 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.732 -2.697 25782
119 1 2 . 1 1 15 15 PHE H H 15 8.170 8.170 7.653 0.517 25782
120 1 2 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.299 -0.707 25782
121 1 2 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.058 -2.897 25782
122 1 2 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.648 -2.606 25782
123 1 2 . 1 1 16 16 ARG H H 16 8.904 8.904 8.510 0.394 25782
124 1 2 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.702 -0.371 25782
125 1 2 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.057 -5.540 25782
126 1 2 . 1 1 17 17 ASP H H 17 8.505 8.505 8.810 -0.305 25782
127 1 2 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.135 -0.246 25782
128 1 2 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.128 -3.882 25782
129 1 2 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.013 -2.510 25782
130 1 2 . 1 1 18 18 GLN H H 18 8.606 8.606 8.829 -0.223 25782
131 1 2 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.659 -0.386 25782
132 1 2 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.244 -1.877 25782
133 1 2 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.598 -2.958 25782
134 1 2 . 1 1 19 19 LEU H H 19 8.305 8.305 7.852 0.453 25782
135 1 3 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.642 0.012 25782
136 1 3 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.164 -3.095 25782
137 1 3 . 1 1 2 2 LEU H H 2 8.218 8.218 8.630 -0.412 25782
138 1 3 . 1 1 3 3 THR HA H 3 4.427 4.427 4.516 -0.089 25782
139 1 3 . 1 1 3 3 THR CA C 3 58.900 58.900 60.103 -1.203 25782
140 1 3 . 1 1 3 3 THR CB C 3 69.080 69.080 71.064 -1.984 25782
141 1 3 . 1 1 3 3 THR H H 3 7.153 7.153 7.626 -0.473 25782
142 1 3 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.910 0.891 25782
143 1 3 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.116 -2.213 25782
144 1 3 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.724 -2.687 25782
145 1 3 . 1 1 4 4 GLN H H 4 8.138 8.138 8.277 -0.139 25782
146 1 3 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.289 -0.192 25782
147 1 3 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.730 -3.841 25782
148 1 3 . 1 1 5 5 ILE H H 5 7.613 7.613 7.082 0.531 25782
149 1 3 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.702 -0.429 25782
150 1 3 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.565 -1.998 25782
151 1 3 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.376 -2.566 25782
152 1 3 . 1 1 6 6 GLN H H 6 8.982 8.982 8.941 0.041 25782
153 1 3 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.605 -0.552 25782
154 1 3 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.034 -1.408 25782
155 1 3 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.612 -4.483 25782
156 1 3 . 1 1 7 7 ALA H H 7 8.226 8.226 8.272 -0.046 25782
157 1 3 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.288 -0.301 25782
158 1 3 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.835 -1.653 25782
159 1 3 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.657 -3.185 25782
160 1 3 . 1 1 8 8 LEU H H 8 7.617 7.617 8.299 -0.682 25782
161 1 3 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.781 -0.417 25782
162 1 3 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.088 -2.671 25782
163 1 3 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.560 -1.528 25782
164 1 3 . 1 1 9 9 ASP H H 9 7.375 7.375 8.476 -1.101 25782
165 1 3 . 1 1 10 10 SER HA H 10 4.224 4.224 4.174 0.050 25782
166 1 3 . 1 1 10 10 SER CA C 10 57.758 57.758 60.533 -2.775 25782
167 1 3 . 1 1 10 10 SER CB C 10 58.172 58.172 63.656 -5.484 25782
168 1 3 . 1 1 10 10 SER H H 10 9.635 9.635 8.954 0.681 25782
169 1 3 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.243 -0.199 25782
170 1 3 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.624 -0.516 25782
171 1 3 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.726 -3.322 25782
172 1 3 . 1 1 11 11 VAL H H 11 8.955 8.955 8.643 0.312 25782
173 1 3 . 1 1 12 12 SER HA H 12 4.483 4.483 4.615 -0.132 25782
174 1 3 . 1 1 12 12 SER CA C 12 55.522 55.522 57.542 -2.020 25782
175 1 3 . 1 1 12 12 SER CB C 12 61.278 61.278 65.342 -4.064 25782
176 1 3 . 1 1 12 12 SER H H 12 7.700 7.700 8.193 -0.493 25782
177 1 3 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.052 -2.766 25782
178 1 3 . 1 1 13 13 GLY H H 13 8.790 8.790 8.536 0.254 25782
179 1 3 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.346 -0.045 25782
180 1 3 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.640 -2.134 25782
181 1 3 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.336 -2.963 25782
182 1 3 . 1 1 14 14 GLN H H 14 8.160 8.160 8.152 0.008 25782
183 1 3 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.368 0.029 25782
184 1 3 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.648 -2.144 25782
185 1 3 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.135 -3.100 25782
186 1 3 . 1 1 15 15 PHE H H 15 8.170 8.170 7.496 0.674 25782
187 1 3 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.459 -0.867 25782
188 1 3 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.701 -2.540 25782
189 1 3 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.664 -2.622 25782
190 1 3 . 1 1 16 16 ARG H H 16 8.904 8.904 8.946 -0.042 25782
191 1 3 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.686 -0.355 25782
192 1 3 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.504 -4.987 25782
193 1 3 . 1 1 17 17 ASP H H 17 8.505 8.505 8.730 -0.225 25782
194 1 3 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.178 -0.289 25782
195 1 3 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.177 -2.931 25782
196 1 3 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.008 -2.505 25782
197 1 3 . 1 1 18 18 GLN H H 18 8.606 8.606 8.611 -0.005 25782
198 1 3 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.124 0.149 25782
199 1 3 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.354 -2.987 25782
200 1 3 . 1 1 19 19 LEU CB C 19 39.640 39.640 40.280 -0.640 25782
201 1 3 . 1 1 19 19 LEU H H 19 8.305 8.305 8.084 0.221 25782
202 1 4 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.417 0.237 25782
203 1 4 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.725 -4.656 25782
204 1 4 . 1 1 2 2 LEU H H 2 8.218 8.218 8.719 -0.501 25782
205 1 4 . 1 1 3 3 THR HA H 3 4.427 4.427 4.180 0.247 25782
206 1 4 . 1 1 3 3 THR CA C 3 58.900 58.900 62.204 -3.304 25782
207 1 4 . 1 1 3 3 THR CB C 3 69.080 69.080 69.432 -0.352 25782
208 1 4 . 1 1 3 3 THR H H 3 7.153 7.153 7.659 -0.506 25782
209 1 4 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.756 0.045 25782
210 1 4 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.715 -2.812 25782
211 1 4 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.337 -3.300 25782
212 1 4 . 1 1 4 4 GLN H H 4 8.138 8.138 8.436 -0.298 25782
213 1 4 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.212 -0.115 25782
214 1 4 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.268 -4.379 25782
215 1 4 . 1 1 5 5 ILE H H 5 7.613 7.613 7.421 0.192 25782
216 1 4 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.944 -0.671 25782
217 1 4 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.197 -0.630 25782
218 1 4 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.688 -2.878 25782
219 1 4 . 1 1 6 6 GLN H H 6 8.982 8.982 8.688 0.294 25782
220 1 4 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.486 -0.433 25782
221 1 4 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.245 -1.619 25782
222 1 4 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.055 -3.926 25782
223 1 4 . 1 1 7 7 ALA H H 7 8.226 8.226 8.195 0.031 25782
224 1 4 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.283 -0.296 25782
225 1 4 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.879 -1.697 25782
226 1 4 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.891 -2.419 25782
227 1 4 . 1 1 8 8 LEU H H 8 7.617 7.617 8.243 -0.626 25782
228 1 4 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.714 -0.350 25782
229 1 4 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.064 -2.647 25782
230 1 4 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.430 -1.398 25782
231 1 4 . 1 1 9 9 ASP H H 9 7.375 7.375 8.388 -1.013 25782
232 1 4 . 1 1 10 10 SER HA H 10 4.224 4.224 4.258 -0.034 25782
233 1 4 . 1 1 10 10 SER CA C 10 57.758 57.758 60.608 -2.850 25782
234 1 4 . 1 1 10 10 SER CB C 10 58.172 58.172 63.726 -5.554 25782
235 1 4 . 1 1 10 10 SER H H 10 9.635 9.635 8.896 0.739 25782
236 1 4 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.225 -0.181 25782
237 1 4 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.878 -0.770 25782
238 1 4 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.842 -3.438 25782
239 1 4 . 1 1 11 11 VAL H H 11 8.955 8.955 8.722 0.233 25782
240 1 4 . 1 1 12 12 SER HA H 12 4.483 4.483 4.609 -0.126 25782
241 1 4 . 1 1 12 12 SER CA C 12 55.522 55.522 57.614 -2.092 25782
242 1 4 . 1 1 12 12 SER CB C 12 61.278 61.278 65.291 -4.013 25782
243 1 4 . 1 1 12 12 SER H H 12 7.700 7.700 8.280 -0.580 25782
244 1 4 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.050 -2.764 25782
245 1 4 . 1 1 13 13 GLY H H 13 8.790 8.790 8.527 0.263 25782
246 1 4 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.437 -0.136 25782
247 1 4 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.457 -1.951 25782
248 1 4 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.633 -3.260 25782
249 1 4 . 1 1 14 14 GLN H H 14 8.160 8.160 7.961 0.199 25782
250 1 4 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.298 0.099 25782
251 1 4 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.365 -1.861 25782
252 1 4 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.889 -2.854 25782
253 1 4 . 1 1 15 15 PHE H H 15 8.170 8.170 7.616 0.554 25782
254 1 4 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.429 -0.837 25782
255 1 4 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.544 -2.383 25782
256 1 4 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.496 -2.454 25782
257 1 4 . 1 1 16 16 ARG H H 16 8.904 8.904 9.112 -0.208 25782
258 1 4 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.732 -0.401 25782
259 1 4 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.363 -5.846 25782
260 1 4 . 1 1 17 17 ASP H H 17 8.505 8.505 8.691 -0.186 25782
261 1 4 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.073 -0.184 25782
262 1 4 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.608 -4.362 25782
263 1 4 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.607 -2.104 25782
264 1 4 . 1 1 18 18 GLN H H 18 8.606 8.606 8.817 -0.211 25782
265 1 4 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.269 0.004 25782
266 1 4 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.986 -2.619 25782
267 1 4 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.030 -2.390 25782
268 1 4 . 1 1 19 19 LEU H H 19 8.305 8.305 8.076 0.229 25782
269 1 5 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.325 0.329 25782
270 1 5 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.234 -4.165 25782
271 1 5 . 1 1 2 2 LEU H H 2 8.218 8.218 8.522 -0.304 25782
272 1 5 . 1 1 3 3 THR HA H 3 4.427 4.427 4.070 0.357 25782
273 1 5 . 1 1 3 3 THR CA C 3 58.900 58.900 62.374 -3.474 25782
274 1 5 . 1 1 3 3 THR CB C 3 69.080 69.080 69.546 -0.466 25782
275 1 5 . 1 1 3 3 THR H H 3 7.153 7.153 7.875 -0.722 25782
276 1 5 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.484 0.317 25782
277 1 5 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.596 -2.692 25782
278 1 5 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.297 -3.260 25782
279 1 5 . 1 1 4 4 GLN H H 4 8.138 8.138 8.436 -0.298 25782
280 1 5 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.206 -0.109 25782
281 1 5 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.606 -3.717 25782
282 1 5 . 1 1 5 5 ILE H H 5 7.613 7.613 7.547 0.066 25782
283 1 5 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.576 -0.303 25782
284 1 5 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.405 -0.838 25782
285 1 5 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.492 -2.683 25782
286 1 5 . 1 1 6 6 GLN H H 6 8.982 8.982 8.714 0.268 25782
287 1 5 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.706 -0.653 25782
288 1 5 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.289 -1.663 25782
289 1 5 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.813 -4.684 25782
290 1 5 . 1 1 7 7 ALA H H 7 8.226 8.226 8.447 -0.221 25782
291 1 5 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.573 -0.586 25782
292 1 5 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.142 -0.960 25782
293 1 5 . 1 1 8 8 LEU CB C 8 39.472 39.472 44.078 -4.606 25782
294 1 5 . 1 1 8 8 LEU H H 8 7.617 7.617 8.150 -0.533 25782
295 1 5 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.856 -0.492 25782
296 1 5 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.637 -2.220 25782
297 1 5 . 1 1 9 9 ASP CB C 9 41.032 41.032 43.334 -2.302 25782
298 1 5 . 1 1 9 9 ASP H H 9 7.375 7.375 8.528 -1.153 25782
299 1 5 . 1 1 10 10 SER HA H 10 4.224 4.224 4.291 -0.067 25782
300 1 5 . 1 1 10 10 SER CA C 10 57.758 57.758 60.806 -3.048 25782
301 1 5 . 1 1 10 10 SER CB C 10 58.172 58.172 63.727 -5.555 25782
302 1 5 . 1 1 10 10 SER H H 10 9.635 9.635 9.297 0.338 25782
303 1 5 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.184 -0.140 25782
304 1 5 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.974 -0.866 25782
305 1 5 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.229 -2.825 25782
306 1 5 . 1 1 11 11 VAL H H 11 8.955 8.955 8.265 0.690 25782
307 1 5 . 1 1 12 12 SER HA H 12 4.483 4.483 4.611 -0.128 25782
308 1 5 . 1 1 12 12 SER CA C 12 55.522 55.522 57.326 -1.804 25782
309 1 5 . 1 1 12 12 SER CB C 12 61.278 61.278 65.344 -4.066 25782
310 1 5 . 1 1 12 12 SER H H 12 7.700 7.700 8.140 -0.440 25782
311 1 5 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.991 -2.705 25782
312 1 5 . 1 1 13 13 GLY H H 13 8.790 8.790 8.569 0.221 25782
313 1 5 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.453 -0.152 25782
314 1 5 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.210 -1.704 25782
315 1 5 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.653 -2.280 25782
316 1 5 . 1 1 14 14 GLN H H 14 8.160 8.160 8.211 -0.051 25782
317 1 5 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.040 0.357 25782
318 1 5 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.247 -2.743 25782
319 1 5 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.954 -2.919 25782
320 1 5 . 1 1 15 15 PHE H H 15 8.170 8.170 7.527 0.643 25782
321 1 5 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.372 -0.780 25782
322 1 5 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.711 -3.550 25782
323 1 5 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.459 -2.417 25782
324 1 5 . 1 1 16 16 ARG H H 16 8.904 8.904 8.842 0.062 25782
325 1 5 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.612 -0.281 25782
326 1 5 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.724 -5.207 25782
327 1 5 . 1 1 17 17 ASP H H 17 8.505 8.505 8.708 -0.203 25782
328 1 5 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.132 -0.243 25782
329 1 5 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.486 -3.240 25782
330 1 5 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.178 -2.675 25782
331 1 5 . 1 1 18 18 GLN H H 18 8.606 8.606 8.393 0.213 25782
332 1 5 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.153 0.120 25782
333 1 5 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.424 -3.057 25782
334 1 5 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.905 -2.265 25782
335 1 5 . 1 1 19 19 LEU H H 19 8.305 8.305 8.091 0.214 25782
336 1 6 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.553 0.101 25782
337 1 6 . 1 1 2 2 LEU CB C 2 38.069 38.069 43.033 -4.964 25782
338 1 6 . 1 1 2 2 LEU H H 2 8.218 8.218 8.498 -0.280 25782
339 1 6 . 1 1 3 3 THR HA H 3 4.427 4.427 4.162 0.265 25782
340 1 6 . 1 1 3 3 THR CA C 3 58.900 58.900 62.341 -3.441 25782
341 1 6 . 1 1 3 3 THR CB C 3 69.080 69.080 69.501 -0.421 25782
342 1 6 . 1 1 3 3 THR H H 3 7.153 7.153 7.949 -0.796 25782
343 1 6 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.033 0.768 25782
344 1 6 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.549 -2.646 25782
345 1 6 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.903 -2.866 25782
346 1 6 . 1 1 4 4 GLN H H 4 8.138 8.138 8.306 -0.168 25782
347 1 6 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.239 -0.142 25782
348 1 6 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.907 -3.018 25782
349 1 6 . 1 1 5 5 ILE H H 5 7.613 7.613 7.629 -0.016 25782
350 1 6 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.646 -0.373 25782
351 1 6 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.747 -0.180 25782
352 1 6 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.526 -2.716 25782
353 1 6 . 1 1 6 6 GLN H H 6 8.982 8.982 8.762 0.220 25782
354 1 6 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.411 -0.358 25782
355 1 6 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.805 -2.179 25782
356 1 6 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.787 -3.658 25782
357 1 6 . 1 1 7 7 ALA H H 7 8.226 8.226 8.242 -0.016 25782
358 1 6 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.533 -0.546 25782
359 1 6 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.019 -0.837 25782
360 1 6 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.908 -2.436 25782
361 1 6 . 1 1 8 8 LEU H H 8 7.617 7.617 8.279 -0.662 25782
362 1 6 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.670 -0.306 25782
363 1 6 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.845 -3.428 25782
364 1 6 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.690 -1.658 25782
365 1 6 . 1 1 9 9 ASP H H 9 7.375 7.375 7.877 -0.502 25782
366 1 6 . 1 1 10 10 SER HA H 10 4.224 4.224 4.246 -0.022 25782
367 1 6 . 1 1 10 10 SER CA C 10 57.758 57.758 61.112 -3.354 25782
368 1 6 . 1 1 10 10 SER CB C 10 58.172 58.172 63.708 -5.536 25782
369 1 6 . 1 1 10 10 SER H H 10 9.635 9.635 9.207 0.428 25782
370 1 6 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.073 -0.029 25782
371 1 6 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.666 -1.558 25782
372 1 6 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.905 -2.501 25782
373 1 6 . 1 1 11 11 VAL H H 11 8.955 8.955 7.738 1.217 25782
374 1 6 . 1 1 12 12 SER HA H 12 4.483 4.483 4.569 -0.086 25782
375 1 6 . 1 1 12 12 SER CA C 12 55.522 55.522 58.355 -2.833 25782
376 1 6 . 1 1 12 12 SER CB C 12 61.278 61.278 64.100 -2.822 25782
377 1 6 . 1 1 12 12 SER H H 12 7.700 7.700 7.843 -0.143 25782
378 1 6 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.693 -2.406 25782
379 1 6 . 1 1 13 13 GLY H H 13 8.790 8.790 8.328 0.462 25782
380 1 6 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.387 -0.086 25782
381 1 6 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.632 -2.126 25782
382 1 6 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.296 -2.923 25782
383 1 6 . 1 1 14 14 GLN H H 14 8.160 8.160 8.413 -0.253 25782
384 1 6 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.269 0.128 25782
385 1 6 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.008 -2.503 25782
386 1 6 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.965 -3.930 25782
387 1 6 . 1 1 15 15 PHE H H 15 8.170 8.170 7.358 0.812 25782
388 1 6 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.397 -0.805 25782
389 1 6 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.924 -2.763 25782
390 1 6 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.697 -2.655 25782
391 1 6 . 1 1 16 16 ARG H H 16 8.904 8.904 9.044 -0.140 25782
392 1 6 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.595 -0.264 25782
393 1 6 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.050 -4.533 25782
394 1 6 . 1 1 17 17 ASP H H 17 8.505 8.505 8.643 -0.138 25782
395 1 6 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.083 -0.194 25782
396 1 6 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.240 -2.994 25782
397 1 6 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.188 -2.685 25782
398 1 6 . 1 1 18 18 GLN H H 18 8.606 8.606 8.560 0.046 25782
399 1 6 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.103 0.170 25782
400 1 6 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.643 -3.276 25782
401 1 6 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.856 -2.216 25782
402 1 6 . 1 1 19 19 LEU H H 19 8.305 8.305 7.912 0.393 25782
403 1 7 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.822 -0.168 25782
404 1 7 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.635 -1.566 25782
405 1 7 . 1 1 2 2 LEU H H 2 8.218 8.218 8.579 -0.361 25782
406 1 7 . 1 1 3 3 THR HA H 3 4.427 4.427 4.527 -0.100 25782
407 1 7 . 1 1 3 3 THR CA C 3 58.900 58.900 60.309 -1.409 25782
408 1 7 . 1 1 3 3 THR CB C 3 69.080 69.080 70.669 -1.589 25782
409 1 7 . 1 1 3 3 THR H H 3 7.153 7.153 7.615 -0.462 25782
410 1 7 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.631 1.170 25782
411 1 7 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.507 -2.604 25782
412 1 7 . 1 1 4 4 GLN CB C 4 26.037 26.037 30.180 -4.143 25782
413 1 7 . 1 1 4 4 GLN H H 4 8.138 8.138 8.196 -0.058 25782
414 1 7 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.097 0.000 25782
415 1 7 . 1 1 5 5 ILE CB C 5 36.889 36.889 38.999 -2.110 25782
416 1 7 . 1 1 5 5 ILE H H 5 7.613 7.613 7.735 -0.122 25782
417 1 7 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.592 -0.319 25782
418 1 7 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.795 -1.228 25782
419 1 7 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.261 -1.451 25782
420 1 7 . 1 1 6 6 GLN H H 6 8.982 8.982 8.850 0.132 25782
421 1 7 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.587 -0.534 25782
422 1 7 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.626 -2.000 25782
423 1 7 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.000 -3.872 25782
424 1 7 . 1 1 7 7 ALA H H 7 8.226 8.226 8.335 -0.109 25782
425 1 7 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.513 -0.526 25782
426 1 7 . 1 1 8 8 LEU CA C 8 53.182 53.182 53.725 -0.543 25782
427 1 7 . 1 1 8 8 LEU CB C 8 39.472 39.472 43.953 -4.481 25782
428 1 7 . 1 1 8 8 LEU H H 8 7.617 7.617 8.236 -0.619 25782
429 1 7 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.816 -0.452 25782
430 1 7 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.194 -2.777 25782
431 1 7 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.702 -1.670 25782
432 1 7 . 1 1 9 9 ASP H H 9 7.375 7.375 7.869 -0.494 25782
433 1 7 . 1 1 10 10 SER HA H 10 4.224 4.224 4.276 -0.052 25782
434 1 7 . 1 1 10 10 SER CA C 10 57.758 57.758 60.901 -3.143 25782
435 1 7 . 1 1 10 10 SER CB C 10 58.172 58.172 63.659 -5.487 25782
436 1 7 . 1 1 10 10 SER H H 10 9.635 9.635 9.183 0.452 25782
437 1 7 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.191 -0.147 25782
438 1 7 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.876 -0.768 25782
439 1 7 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.252 -2.848 25782
440 1 7 . 1 1 11 11 VAL H H 11 8.955 8.955 8.048 0.907 25782
441 1 7 . 1 1 12 12 SER HA H 12 4.483 4.483 4.543 -0.060 25782
442 1 7 . 1 1 12 12 SER CA C 12 55.522 55.522 57.925 -2.402 25782
443 1 7 . 1 1 12 12 SER CB C 12 61.278 61.278 64.901 -3.623 25782
444 1 7 . 1 1 12 12 SER H H 12 7.700 7.700 8.007 -0.307 25782
445 1 7 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.543 -2.257 25782
446 1 7 . 1 1 13 13 GLY H H 13 8.790 8.790 8.373 0.417 25782
447 1 7 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.512 -0.211 25782
448 1 7 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.721 -2.215 25782
449 1 7 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.847 -2.474 25782
450 1 7 . 1 1 14 14 GLN H H 14 8.160 8.160 8.174 -0.014 25782
451 1 7 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.367 0.030 25782
452 1 7 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.701 -2.197 25782
453 1 7 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.727 -3.692 25782
454 1 7 . 1 1 15 15 PHE H H 15 8.170 8.170 7.368 0.802 25782
455 1 7 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.486 -0.894 25782
456 1 7 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.709 -2.549 25782
457 1 7 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.832 -2.790 25782
458 1 7 . 1 1 16 16 ARG H H 16 8.904 8.904 9.065 -0.161 25782
459 1 7 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.584 -0.253 25782
460 1 7 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.444 -4.926 25782
461 1 7 . 1 1 17 17 ASP H H 17 8.505 8.505 8.836 -0.331 25782
462 1 7 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.018 -0.129 25782
463 1 7 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.586 -4.340 25782
464 1 7 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.724 -2.220 25782
465 1 7 . 1 1 18 18 GLN H H 18 8.606 8.606 8.815 -0.209 25782
466 1 7 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.294 -0.021 25782
467 1 7 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.278 -2.911 25782
468 1 7 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.945 -2.305 25782
469 1 7 . 1 1 19 19 LEU H H 19 8.305 8.305 8.073 0.232 25782
470 1 8 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.610 0.044 25782
471 1 8 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.873 -2.804 25782
472 1 8 . 1 1 2 2 LEU H H 2 8.218 8.218 8.639 -0.421 25782
473 1 8 . 1 1 3 3 THR HA H 3 4.427 4.427 4.486 -0.059 25782
474 1 8 . 1 1 3 3 THR CA C 3 58.900 58.900 60.778 -1.878 25782
475 1 8 . 1 1 3 3 THR CB C 3 69.080 69.080 70.898 -1.818 25782
476 1 8 . 1 1 3 3 THR H H 3 7.153 7.153 7.854 -0.701 25782
477 1 8 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.021 0.780 25782
478 1 8 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.457 -2.554 25782
479 1 8 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.446 -3.409 25782
480 1 8 . 1 1 4 4 GLN H H 4 8.138 8.138 8.289 -0.151 25782
481 1 8 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.377 -0.280 25782
482 1 8 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.187 -4.298 25782
483 1 8 . 1 1 5 5 ILE H H 5 7.613 7.613 7.218 0.395 25782
484 1 8 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.744 -0.471 25782
485 1 8 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.598 -1.031 25782
486 1 8 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.507 -2.697 25782
487 1 8 . 1 1 6 6 GLN H H 6 8.982 8.982 8.745 0.237 25782
488 1 8 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.516 -0.463 25782
489 1 8 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.484 -1.858 25782
490 1 8 . 1 1 7 7 ALA CB C 7 17.129 17.129 22.135 -5.006 25782
491 1 8 . 1 1 7 7 ALA H H 7 8.226 8.226 8.262 -0.036 25782
492 1 8 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.832 -0.845 25782
493 1 8 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.089 -0.907 25782
494 1 8 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.290 -2.818 25782
495 1 8 . 1 1 8 8 LEU H H 8 7.617 7.617 8.283 -0.666 25782
496 1 8 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.624 -0.260 25782
497 1 8 . 1 1 9 9 ASP CA C 9 51.417 51.417 55.015 -3.598 25782
498 1 8 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.843 -1.812 25782
499 1 8 . 1 1 9 9 ASP H H 9 7.375 7.375 8.166 -0.791 25782
500 1 8 . 1 1 10 10 SER HA H 10 4.224 4.224 4.170 0.054 25782
501 1 8 . 1 1 10 10 SER CA C 10 57.758 57.758 61.177 -3.419 25782
502 1 8 . 1 1 10 10 SER CB C 10 58.172 58.172 63.066 -4.894 25782
503 1 8 . 1 1 10 10 SER H H 10 9.635 9.635 8.821 0.814 25782
504 1 8 . 1 1 11 11 VAL HA H 11 4.044 4.044 3.987 0.057 25782
505 1 8 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.412 -1.304 25782
506 1 8 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.365 -1.961 25782
507 1 8 . 1 1 11 11 VAL H H 11 8.955 8.955 8.220 0.735 25782
508 1 8 . 1 1 12 12 SER HA H 12 4.483 4.483 4.486 -0.003 25782
509 1 8 . 1 1 12 12 SER CA C 12 55.522 55.522 57.889 -2.367 25782
510 1 8 . 1 1 12 12 SER CB C 12 61.278 61.278 64.399 -3.121 25782
511 1 8 . 1 1 12 12 SER H H 12 7.700 7.700 7.878 -0.178 25782
512 1 8 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.596 -2.310 25782
513 1 8 . 1 1 13 13 GLY H H 13 8.790 8.790 8.095 0.695 25782
514 1 8 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.246 0.055 25782
515 1 8 . 1 1 14 14 GLN CA C 14 52.506 52.506 56.084 -3.578 25782
516 1 8 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.845 -2.471 25782
517 1 8 . 1 1 14 14 GLN H H 14 8.160 8.160 8.335 -0.175 25782
518 1 8 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.435 -0.038 25782
519 1 8 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.712 -2.208 25782
520 1 8 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.559 -3.523 25782
521 1 8 . 1 1 15 15 PHE H H 15 8.170 8.170 7.355 0.815 25782
522 1 8 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.414 -0.822 25782
523 1 8 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.585 -2.424 25782
524 1 8 . 1 1 16 16 ARG CB C 16 29.042 29.042 32.274 -3.232 25782
525 1 8 . 1 1 16 16 ARG H H 16 8.904 8.904 8.944 -0.040 25782
526 1 8 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.645 -0.314 25782
527 1 8 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.526 -5.009 25782
528 1 8 . 1 1 17 17 ASP H H 17 8.505 8.505 8.791 -0.286 25782
529 1 8 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.115 -0.226 25782
530 1 8 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.247 -4.001 25782
531 1 8 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.078 -2.575 25782
532 1 8 . 1 1 18 18 GLN H H 18 8.606 8.606 8.621 -0.015 25782
533 1 8 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.453 -0.180 25782
534 1 8 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.616 -3.249 25782
535 1 8 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.896 -2.256 25782
536 1 8 . 1 1 19 19 LEU H H 19 8.305 8.305 7.738 0.567 25782
537 1 9 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.456 0.198 25782
538 1 9 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.797 -4.728 25782
539 1 9 . 1 1 2 2 LEU H H 2 8.218 8.218 8.512 -0.294 25782
540 1 9 . 1 1 3 3 THR HA H 3 4.427 4.427 4.237 0.190 25782
541 1 9 . 1 1 3 3 THR CA C 3 58.900 58.900 61.379 -2.479 25782
542 1 9 . 1 1 3 3 THR CB C 3 69.080 69.080 69.985 -0.905 25782
543 1 9 . 1 1 3 3 THR H H 3 7.153 7.153 7.782 -0.629 25782
544 1 9 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.548 0.253 25782
545 1 9 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.408 -2.505 25782
546 1 9 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.787 -2.750 25782
547 1 9 . 1 1 4 4 GLN H H 4 8.138 8.138 8.360 -0.222 25782
548 1 9 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.346 -0.249 25782
549 1 9 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.908 -4.019 25782
550 1 9 . 1 1 5 5 ILE H H 5 7.613 7.613 7.348 0.265 25782
551 1 9 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.680 -0.407 25782
552 1 9 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.679 -1.112 25782
553 1 9 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.520 -2.710 25782
554 1 9 . 1 1 6 6 GLN H H 6 8.982 8.982 8.806 0.176 25782
555 1 9 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.483 -0.430 25782
556 1 9 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.238 -1.612 25782
557 1 9 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.303 -4.174 25782
558 1 9 . 1 1 7 7 ALA H H 7 8.226 8.226 8.021 0.205 25782
559 1 9 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.200 -0.213 25782
560 1 9 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.947 -1.765 25782
561 1 9 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.790 -2.318 25782
562 1 9 . 1 1 8 8 LEU H H 8 7.617 7.617 8.293 -0.676 25782
563 1 9 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.728 -0.364 25782
564 1 9 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.505 -3.088 25782
565 1 9 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.101 -1.069 25782
566 1 9 . 1 1 9 9 ASP H H 9 7.375 7.375 8.319 -0.944 25782
567 1 9 . 1 1 10 10 SER HA H 10 4.224 4.224 4.241 -0.017 25782
568 1 9 . 1 1 10 10 SER CA C 10 57.758 57.758 60.675 -2.917 25782
569 1 9 . 1 1 10 10 SER CB C 10 58.172 58.172 63.778 -5.606 25782
570 1 9 . 1 1 10 10 SER H H 10 9.635 9.635 9.221 0.414 25782
571 1 9 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.184 -0.140 25782
572 1 9 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.864 -0.756 25782
573 1 9 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.839 -3.435 25782
574 1 9 . 1 1 11 11 VAL H H 11 8.955 8.955 8.367 0.588 25782
575 1 9 . 1 1 12 12 SER HA H 12 4.483 4.483 4.592 -0.109 25782
576 1 9 . 1 1 12 12 SER CA C 12 55.522 55.522 57.727 -2.205 25782
577 1 9 . 1 1 12 12 SER CB C 12 61.278 61.278 65.021 -3.743 25782
578 1 9 . 1 1 12 12 SER H H 12 7.700 7.700 8.128 -0.428 25782
579 1 9 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.788 -2.502 25782
580 1 9 . 1 1 13 13 GLY H H 13 8.790 8.790 8.381 0.409 25782
581 1 9 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.370 -0.069 25782
582 1 9 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.737 -2.231 25782
583 1 9 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.151 -2.777 25782
584 1 9 . 1 1 14 14 GLN H H 14 8.160 8.160 8.163 -0.003 25782
585 1 9 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.315 0.082 25782
586 1 9 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.356 -2.852 25782
587 1 9 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.122 -3.087 25782
588 1 9 . 1 1 15 15 PHE H H 15 8.170 8.170 7.475 0.695 25782
589 1 9 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.373 -0.781 25782
590 1 9 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.626 -2.465 25782
591 1 9 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.982 -2.940 25782
592 1 9 . 1 1 16 16 ARG H H 16 8.904 8.904 8.914 -0.010 25782
593 1 9 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.687 -0.356 25782
594 1 9 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.576 -5.059 25782
595 1 9 . 1 1 17 17 ASP H H 17 8.505 8.505 8.814 -0.309 25782
596 1 9 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.088 -0.199 25782
597 1 9 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.526 -3.280 25782
598 1 9 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.933 -2.429 25782
599 1 9 . 1 1 18 18 GLN H H 18 8.606 8.606 8.659 -0.053 25782
600 1 9 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.126 0.147 25782
601 1 9 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.818 -2.451 25782
602 1 9 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.339 -1.699 25782
603 1 9 . 1 1 19 19 LEU H H 19 8.305 8.305 7.899 0.406 25782
604 1 10 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.317 0.337 25782
605 1 10 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.388 -4.319 25782
606 1 10 . 1 1 2 2 LEU H H 2 8.218 8.218 8.660 -0.442 25782
607 1 10 . 1 1 3 3 THR HA H 3 4.427 4.427 4.088 0.339 25782
608 1 10 . 1 1 3 3 THR CA C 3 58.900 58.900 62.832 -3.932 25782
609 1 10 . 1 1 3 3 THR CB C 3 69.080 69.080 69.286 -0.206 25782
610 1 10 . 1 1 3 3 THR H H 3 7.153 7.153 7.999 -0.846 25782
611 1 10 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.565 0.236 25782
612 1 10 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.322 -2.419 25782
613 1 10 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.032 -2.995 25782
614 1 10 . 1 1 4 4 GLN H H 4 8.138 8.138 8.378 -0.240 25782
615 1 10 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.105 -0.008 25782
616 1 10 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.757 -2.868 25782
617 1 10 . 1 1 5 5 ILE H H 5 7.613 7.613 7.681 -0.068 25782
618 1 10 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.857 -0.584 25782
619 1 10 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.246 -0.679 25782
620 1 10 . 1 1 6 6 GLN CB C 6 25.810 25.810 29.037 -3.227 25782
621 1 10 . 1 1 6 6 GLN H H 6 8.982 8.982 8.589 0.393 25782
622 1 10 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.427 -0.374 25782
623 1 10 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.733 -2.107 25782
624 1 10 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.478 -3.349 25782
625 1 10 . 1 1 7 7 ALA H H 7 8.226 8.226 8.162 0.064 25782
626 1 10 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.499 -0.512 25782
627 1 10 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.553 -1.371 25782
628 1 10 . 1 1 8 8 LEU CB C 8 39.472 39.472 43.678 -4.205 25782
629 1 10 . 1 1 8 8 LEU H H 8 7.617 7.617 8.179 -0.562 25782
630 1 10 . 1 1 9 9 ASP HA H 9 4.364 4.364 5.050 -0.686 25782
631 1 10 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.594 -2.177 25782
632 1 10 . 1 1 9 9 ASP CB C 9 41.032 41.032 43.303 -2.271 25782
633 1 10 . 1 1 9 9 ASP H H 9 7.375 7.375 7.877 -0.502 25782
634 1 10 . 1 1 10 10 SER HA H 10 4.224 4.224 4.250 -0.026 25782
635 1 10 . 1 1 10 10 SER CA C 10 57.758 57.758 61.031 -3.273 25782
636 1 10 . 1 1 10 10 SER CB C 10 58.172 58.172 63.389 -5.217 25782
637 1 10 . 1 1 10 10 SER H H 10 9.635 9.635 9.073 0.562 25782
638 1 10 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.106 -0.062 25782
639 1 10 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.304 -1.196 25782
640 1 10 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.859 -2.455 25782
641 1 10 . 1 1 11 11 VAL H H 11 8.955 8.955 8.099 0.856 25782
642 1 10 . 1 1 12 12 SER HA H 12 4.483 4.483 4.550 -0.067 25782
643 1 10 . 1 1 12 12 SER CA C 12 55.522 55.522 57.784 -2.262 25782
644 1 10 . 1 1 12 12 SER CB C 12 61.278 61.278 64.915 -3.637 25782
645 1 10 . 1 1 12 12 SER H H 12 7.700 7.700 8.011 -0.311 25782
646 1 10 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.626 -2.340 25782
647 1 10 . 1 1 13 13 GLY H H 13 8.790 8.790 8.306 0.484 25782
648 1 10 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.368 -0.067 25782
649 1 10 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.680 -2.174 25782
650 1 10 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.861 -2.488 25782
651 1 10 . 1 1 14 14 GLN H H 14 8.160 8.160 7.984 0.176 25782
652 1 10 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.323 0.074 25782
653 1 10 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.794 -2.290 25782
654 1 10 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.776 -3.741 25782
655 1 10 . 1 1 15 15 PHE H H 15 8.170 8.170 7.440 0.730 25782
656 1 10 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.440 -0.848 25782
657 1 10 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.885 -2.724 25782
658 1 10 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.709 -2.667 25782
659 1 10 . 1 1 16 16 ARG H H 16 8.904 8.904 9.121 -0.217 25782
660 1 10 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.672 -0.341 25782
661 1 10 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.611 -5.094 25782
662 1 10 . 1 1 17 17 ASP H H 17 8.505 8.505 8.659 -0.154 25782
663 1 10 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.074 -0.185 25782
664 1 10 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.673 -3.427 25782
665 1 10 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.833 -2.330 25782
666 1 10 . 1 1 18 18 GLN H H 18 8.606 8.606 8.537 0.069 25782
667 1 10 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.265 0.008 25782
668 1 10 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.228 -2.861 25782
669 1 10 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.598 -1.958 25782
670 1 10 . 1 1 19 19 LEU H H 19 8.305 8.305 7.865 0.440 25782
671 1 11 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.417 0.237 25782
672 1 11 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.898 -4.829 25782
673 1 11 . 1 1 2 2 LEU H H 2 8.218 8.218 8.545 -0.327 25782
674 1 11 . 1 1 3 3 THR HA H 3 4.427 4.427 4.254 0.173 25782
675 1 11 . 1 1 3 3 THR CA C 3 58.900 58.900 61.404 -2.504 25782
676 1 11 . 1 1 3 3 THR CB C 3 69.080 69.080 70.025 -0.945 25782
677 1 11 . 1 1 3 3 THR H H 3 7.153 7.153 7.666 -0.513 25782
678 1 11 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.879 -0.078 25782
679 1 11 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.525 -2.622 25782
680 1 11 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.548 -3.511 25782
681 1 11 . 1 1 4 4 GLN H H 4 8.138 8.138 8.306 -0.168 25782
682 1 11 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.135 -0.038 25782
683 1 11 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.548 -3.659 25782
684 1 11 . 1 1 5 5 ILE H H 5 7.613 7.613 7.202 0.411 25782
685 1 11 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.591 -0.318 25782
686 1 11 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.236 -1.669 25782
687 1 11 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.823 -2.013 25782
688 1 11 . 1 1 6 6 GLN H H 6 8.982 8.982 8.780 0.202 25782
689 1 11 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.539 -0.486 25782
690 1 11 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.209 -1.583 25782
691 1 11 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.770 -4.641 25782
692 1 11 . 1 1 7 7 ALA H H 7 8.226 8.226 8.247 -0.021 25782
693 1 11 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.366 -0.379 25782
694 1 11 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.752 -1.570 25782
695 1 11 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.687 -2.215 25782
696 1 11 . 1 1 8 8 LEU H H 8 7.617 7.617 8.266 -0.649 25782
697 1 11 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.629 -0.265 25782
698 1 11 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.669 -3.252 25782
699 1 11 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.161 -1.129 25782
700 1 11 . 1 1 9 9 ASP H H 9 7.375 7.375 8.396 -1.021 25782
701 1 11 . 1 1 10 10 SER HA H 10 4.224 4.224 4.170 0.054 25782
702 1 11 . 1 1 10 10 SER CA C 10 57.758 57.758 61.188 -3.430 25782
703 1 11 . 1 1 10 10 SER CB C 10 58.172 58.172 63.675 -5.503 25782
704 1 11 . 1 1 10 10 SER H H 10 9.635 9.635 8.941 0.694 25782
705 1 11 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.082 -0.038 25782
706 1 11 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.235 -1.127 25782
707 1 11 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.170 -2.766 25782
708 1 11 . 1 1 11 11 VAL H H 11 8.955 8.955 8.322 0.633 25782
709 1 11 . 1 1 12 12 SER HA H 12 4.483 4.483 4.567 -0.084 25782
710 1 11 . 1 1 12 12 SER CA C 12 55.522 55.522 57.792 -2.270 25782
711 1 11 . 1 1 12 12 SER CB C 12 61.278 61.278 64.948 -3.670 25782
712 1 11 . 1 1 12 12 SER H H 12 7.700 7.700 7.976 -0.276 25782
713 1 11 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.816 -2.530 25782
714 1 11 . 1 1 13 13 GLY H H 13 8.790 8.790 8.499 0.291 25782
715 1 11 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.338 -0.037 25782
716 1 11 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.674 -2.168 25782
717 1 11 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.583 -3.210 25782
718 1 11 . 1 1 14 14 GLN H H 14 8.160 8.160 8.378 -0.218 25782
719 1 11 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.251 0.146 25782
720 1 11 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.782 -2.277 25782
721 1 11 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.360 -3.325 25782
722 1 11 . 1 1 15 15 PHE H H 15 8.170 8.170 7.524 0.646 25782
723 1 11 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.305 -0.713 25782
724 1 11 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.255 -3.094 25782
725 1 11 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.750 -2.708 25782
726 1 11 . 1 1 16 16 ARG H H 16 8.904 8.904 8.865 0.039 25782
727 1 11 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.657 -0.326 25782
728 1 11 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.374 -4.857 25782
729 1 11 . 1 1 17 17 ASP H H 17 8.505 8.505 8.735 -0.230 25782
730 1 11 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.169 -0.280 25782
731 1 11 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.348 -2.102 25782
732 1 11 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.102 -2.599 25782
733 1 11 . 1 1 18 18 GLN H H 18 8.606 8.606 8.709 -0.103 25782
734 1 11 . 1 1 19 19 LEU HA H 19 4.273 4.273 3.942 0.331 25782
735 1 11 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.344 -2.977 25782
736 1 11 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.944 -2.304 25782
737 1 11 . 1 1 19 19 LEU H H 19 8.305 8.305 7.753 0.552 25782
738 1 12 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.606 0.048 25782
739 1 12 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.835 -2.766 25782
740 1 12 . 1 1 2 2 LEU H H 2 8.218 8.218 8.500 -0.282 25782
741 1 12 . 1 1 3 3 THR HA H 3 4.427 4.427 4.214 0.213 25782
742 1 12 . 1 1 3 3 THR CA C 3 58.900 58.900 61.500 -2.600 25782
743 1 12 . 1 1 3 3 THR CB C 3 69.080 69.080 69.571 -0.491 25782
744 1 12 . 1 1 3 3 THR H H 3 7.153 7.153 7.659 -0.506 25782
745 1 12 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.272 0.529 25782
746 1 12 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.620 -2.717 25782
747 1 12 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.544 -2.507 25782
748 1 12 . 1 1 4 4 GLN H H 4 8.138 8.138 8.399 -0.261 25782
749 1 12 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.260 -0.163 25782
750 1 12 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.903 -5.014 25782
751 1 12 . 1 1 5 5 ILE H H 5 7.613 7.613 7.268 0.345 25782
752 1 12 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.977 -0.704 25782
753 1 12 . 1 1 6 6 GLN CA C 6 55.567 55.567 54.439 1.128 25782
754 1 12 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.182 -2.372 25782
755 1 12 . 1 1 6 6 GLN H H 6 8.982 8.982 8.573 0.409 25782
756 1 12 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.515 -0.462 25782
757 1 12 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.207 -1.581 25782
758 1 12 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.587 -4.458 25782
759 1 12 . 1 1 7 7 ALA H H 7 8.226 8.226 8.402 -0.176 25782
760 1 12 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.232 -0.245 25782
761 1 12 . 1 1 8 8 LEU CA C 8 53.182 53.182 55.017 -1.835 25782
762 1 12 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.721 -2.249 25782
763 1 12 . 1 1 8 8 LEU H H 8 7.617 7.617 8.309 -0.692 25782
764 1 12 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.573 -0.209 25782
765 1 12 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.533 -3.116 25782
766 1 12 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.923 -1.891 25782
767 1 12 . 1 1 9 9 ASP H H 9 7.375 7.375 7.875 -0.500 25782
768 1 12 . 1 1 10 10 SER HA H 10 4.224 4.224 4.295 -0.071 25782
769 1 12 . 1 1 10 10 SER CA C 10 57.758 57.758 60.599 -2.841 25782
770 1 12 . 1 1 10 10 SER CB C 10 58.172 58.172 63.613 -5.441 25782
771 1 12 . 1 1 10 10 SER H H 10 9.635 9.635 8.950 0.685 25782
772 1 12 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.150 -0.106 25782
773 1 12 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.551 -1.443 25782
774 1 12 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.165 -2.761 25782
775 1 12 . 1 1 11 11 VAL H H 11 8.955 8.955 8.589 0.366 25782
776 1 12 . 1 1 12 12 SER HA H 12 4.483 4.483 4.614 -0.131 25782
777 1 12 . 1 1 12 12 SER CA C 12 55.522 55.522 58.179 -2.657 25782
778 1 12 . 1 1 12 12 SER CB C 12 61.278 61.278 64.872 -3.594 25782
779 1 12 . 1 1 12 12 SER H H 12 7.700 7.700 7.977 -0.277 25782
780 1 12 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782
781 1 12 . 1 1 13 13 GLY H H 13 8.790 8.790 8.332 0.458 25782
782 1 12 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.484 -0.183 25782
783 1 12 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.162 -2.656 25782
784 1 12 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.720 -3.347 25782
785 1 12 . 1 1 14 14 GLN H H 14 8.160 8.160 8.320 -0.160 25782
786 1 12 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.170 0.227 25782
787 1 12 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.985 -2.481 25782
788 1 12 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.088 -2.053 25782
789 1 12 . 1 1 15 15 PHE H H 15 8.170 8.170 7.567 0.603 25782
790 1 12 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.242 -0.650 25782
791 1 12 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.267 -3.106 25782
792 1 12 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.573 -2.531 25782
793 1 12 . 1 1 16 16 ARG H H 16 8.904 8.904 8.871 0.033 25782
794 1 12 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.558 -0.227 25782
795 1 12 . 1 1 17 17 ASP CB C 17 36.517 36.517 40.823 -4.306 25782
796 1 12 . 1 1 17 17 ASP H H 17 8.505 8.505 8.791 -0.286 25782
797 1 12 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.178 -0.289 25782
798 1 12 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.567 -2.321 25782
799 1 12 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.097 -2.594 25782
800 1 12 . 1 1 18 18 GLN H H 18 8.606 8.606 8.483 0.123 25782
801 1 12 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.262 0.011 25782
802 1 12 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.584 -3.217 25782
803 1 12 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.371 -2.731 25782
804 1 12 . 1 1 19 19 LEU H H 19 8.305 8.305 7.467 0.838 25782
805 1 13 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.635 0.019 25782
806 1 13 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.603 -1.534 25782
807 1 13 . 1 1 2 2 LEU H H 2 8.218 8.218 8.558 -0.340 25782
808 1 13 . 1 1 3 3 THR HA H 3 4.427 4.427 4.574 -0.147 25782
809 1 13 . 1 1 3 3 THR CA C 3 58.900 58.900 60.044 -1.144 25782
810 1 13 . 1 1 3 3 THR CB C 3 69.080 69.080 70.934 -1.854 25782
811 1 13 . 1 1 3 3 THR H H 3 7.153 7.153 7.786 -0.633 25782
812 1 13 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.827 0.974 25782
813 1 13 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.342 -2.439 25782
814 1 13 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.112 -3.075 25782
815 1 13 . 1 1 4 4 GLN H H 4 8.138 8.138 8.283 -0.145 25782
816 1 13 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.230 -0.133 25782
817 1 13 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.106 -4.217 25782
818 1 13 . 1 1 5 5 ILE H H 5 7.613 7.613 7.000 0.613 25782
819 1 13 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.798 -0.525 25782
820 1 13 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.661 -1.094 25782
821 1 13 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.372 -2.562 25782
822 1 13 . 1 1 6 6 GLN H H 6 8.982 8.982 8.799 0.183 25782
823 1 13 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.638 -0.585 25782
824 1 13 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.842 -1.216 25782
825 1 13 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.976 -4.847 25782
826 1 13 . 1 1 7 7 ALA H H 7 8.226 8.226 8.410 -0.184 25782
827 1 13 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.285 -0.298 25782
828 1 13 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.598 -1.416 25782
829 1 13 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.886 -3.414 25782
830 1 13 . 1 1 8 8 LEU H H 8 7.617 7.617 8.341 -0.724 25782
831 1 13 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.650 -0.286 25782
832 1 13 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.511 -3.094 25782
833 1 13 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.727 -1.696 25782
834 1 13 . 1 1 9 9 ASP H H 9 7.375 7.375 8.167 -0.792 25782
835 1 13 . 1 1 10 10 SER HA H 10 4.224 4.224 4.236 -0.012 25782
836 1 13 . 1 1 10 10 SER CA C 10 57.758 57.758 61.071 -3.313 25782
837 1 13 . 1 1 10 10 SER CB C 10 58.172 58.172 63.672 -5.500 25782
838 1 13 . 1 1 10 10 SER H H 10 9.635 9.635 8.960 0.675 25782
839 1 13 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.043 0.001 25782
840 1 13 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.545 -1.437 25782
841 1 13 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.746 -2.342 25782
842 1 13 . 1 1 11 11 VAL H H 11 8.955 8.955 8.246 0.709 25782
843 1 13 . 1 1 12 12 SER HA H 12 4.483 4.483 4.560 -0.077 25782
844 1 13 . 1 1 12 12 SER CA C 12 55.522 55.522 57.691 -2.169 25782
845 1 13 . 1 1 12 12 SER CB C 12 61.278 61.278 64.995 -3.717 25782
846 1 13 . 1 1 12 12 SER H H 12 7.700 7.700 7.993 -0.293 25782
847 1 13 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.891 -2.605 25782
848 1 13 . 1 1 13 13 GLY H H 13 8.790 8.790 8.386 0.404 25782
849 1 13 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.574 -0.273 25782
850 1 13 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.885 -2.379 25782
851 1 13 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.110 -2.736 25782
852 1 13 . 1 1 14 14 GLN H H 14 8.160 8.160 8.144 0.016 25782
853 1 13 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.169 0.228 25782
854 1 13 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.040 -2.536 25782
855 1 13 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.849 -2.814 25782
856 1 13 . 1 1 15 15 PHE H H 15 8.170 8.170 7.788 0.382 25782
857 1 13 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.218 -0.626 25782
858 1 13 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.581 -3.420 25782
859 1 13 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.501 -2.459 25782
860 1 13 . 1 1 16 16 ARG H H 16 8.904 8.904 8.965 -0.061 25782
861 1 13 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.609 -0.278 25782
862 1 13 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.357 -4.840 25782
863 1 13 . 1 1 17 17 ASP H H 17 8.505 8.505 8.747 -0.242 25782
864 1 13 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.101 -0.212 25782
865 1 13 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.335 -3.089 25782
866 1 13 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.065 -2.562 25782
867 1 13 . 1 1 18 18 GLN H H 18 8.606 8.606 8.486 0.120 25782
868 1 13 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.159 0.114 25782
869 1 13 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.709 -2.342 25782
870 1 13 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.582 -1.942 25782
871 1 13 . 1 1 19 19 LEU H H 19 8.305 8.305 7.772 0.533 25782
872 1 14 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.702 -0.048 25782
873 1 14 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.016 -3.947 25782
874 1 14 . 1 1 2 2 LEU H H 2 8.218 8.218 8.541 -0.323 25782
875 1 14 . 1 1 3 3 THR HA H 3 4.427 4.427 4.305 0.122 25782
876 1 14 . 1 1 3 3 THR CA C 3 58.900 58.900 61.055 -2.155 25782
877 1 14 . 1 1 3 3 THR CB C 3 69.080 69.080 69.769 -0.689 25782
878 1 14 . 1 1 3 3 THR H H 3 7.153 7.153 7.733 -0.580 25782
879 1 14 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.077 0.724 25782
880 1 14 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.379 -2.476 25782
881 1 14 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.184 -3.147 25782
882 1 14 . 1 1 4 4 GLN H H 4 8.138 8.138 8.233 -0.095 25782
883 1 14 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.054 0.043 25782
884 1 14 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.581 -2.692 25782
885 1 14 . 1 1 5 5 ILE H H 5 7.613 7.613 7.131 0.482 25782
886 1 14 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.757 -0.484 25782
887 1 14 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.259 -1.692 25782
888 1 14 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.287 -2.477 25782
889 1 14 . 1 1 6 6 GLN H H 6 8.982 8.982 8.799 0.183 25782
890 1 14 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.575 -0.522 25782
891 1 14 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.940 -1.314 25782
892 1 14 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.732 -4.603 25782
893 1 14 . 1 1 7 7 ALA H H 7 8.226 8.226 8.226 0.000 25782
894 1 14 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.160 -0.173 25782
895 1 14 . 1 1 8 8 LEU CA C 8 53.182 53.182 55.033 -1.851 25782
896 1 14 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.748 -2.276 25782
897 1 14 . 1 1 8 8 LEU H H 8 7.617 7.617 8.411 -0.794 25782
898 1 14 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.620 -0.256 25782
899 1 14 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.716 -3.299 25782
900 1 14 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.379 -1.347 25782
901 1 14 . 1 1 9 9 ASP H H 9 7.375 7.375 8.451 -1.076 25782
902 1 14 . 1 1 10 10 SER HA H 10 4.224 4.224 4.322 -0.098 25782
903 1 14 . 1 1 10 10 SER CA C 10 57.758 57.758 60.983 -3.225 25782
904 1 14 . 1 1 10 10 SER CB C 10 58.172 58.172 63.937 -5.765 25782
905 1 14 . 1 1 10 10 SER H H 10 9.635 9.635 8.975 0.660 25782
906 1 14 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.185 -0.141 25782
907 1 14 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.073 -0.965 25782
908 1 14 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.495 -3.091 25782
909 1 14 . 1 1 11 11 VAL H H 11 8.955 8.955 8.492 0.463 25782
910 1 14 . 1 1 12 12 SER HA H 12 4.483 4.483 4.601 -0.118 25782
911 1 14 . 1 1 12 12 SER CA C 12 55.522 55.522 57.832 -2.310 25782
912 1 14 . 1 1 12 12 SER CB C 12 61.278 61.278 65.427 -4.149 25782
913 1 14 . 1 1 12 12 SER H H 12 7.700 7.700 8.270 -0.570 25782
914 1 14 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.013 -2.727 25782
915 1 14 . 1 1 13 13 GLY H H 13 8.790 8.790 8.280 0.510 25782
916 1 14 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.427 -0.126 25782
917 1 14 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.054 -2.548 25782
918 1 14 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.489 -3.116 25782
919 1 14 . 1 1 14 14 GLN H H 14 8.160 8.160 8.058 0.102 25782
920 1 14 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.492 -0.095 25782
921 1 14 . 1 1 15 15 PHE CA C 15 53.504 53.504 54.923 -1.419 25782
922 1 14 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.281 -2.245 25782
923 1 14 . 1 1 15 15 PHE H H 15 8.170 8.170 7.482 0.688 25782
924 1 14 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.240 -0.648 25782
925 1 14 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.614 -3.453 25782
926 1 14 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.506 -2.464 25782
927 1 14 . 1 1 16 16 ARG H H 16 8.904 8.904 8.439 0.465 25782
928 1 14 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.679 -0.348 25782
929 1 14 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.074 -4.557 25782
930 1 14 . 1 1 17 17 ASP H H 17 8.505 8.505 8.756 -0.251 25782
931 1 14 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.126 -0.237 25782
932 1 14 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.829 -3.583 25782
933 1 14 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.968 -2.465 25782
934 1 14 . 1 1 18 18 GLN H H 18 8.606 8.606 8.684 -0.078 25782
935 1 14 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.125 0.148 25782
936 1 14 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.922 -2.555 25782
937 1 14 . 1 1 19 19 LEU CB C 19 39.640 39.640 39.745 -0.105 25782
938 1 14 . 1 1 19 19 LEU H H 19 8.305 8.305 7.802 0.503 25782
939 1 15 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.584 0.070 25782
940 1 15 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.653 -4.584 25782
941 1 15 . 1 1 2 2 LEU H H 2 8.218 8.218 8.495 -0.277 25782
942 1 15 . 1 1 3 3 THR HA H 3 4.427 4.427 4.204 0.223 25782
943 1 15 . 1 1 3 3 THR CA C 3 58.900 58.900 61.873 -2.973 25782
944 1 15 . 1 1 3 3 THR CB C 3 69.080 69.080 69.825 -0.745 25782
945 1 15 . 1 1 3 3 THR H H 3 7.153 7.153 7.500 -0.347 25782
946 1 15 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.854 0.947 25782
947 1 15 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.216 -2.313 25782
948 1 15 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.113 -3.076 25782
949 1 15 . 1 1 4 4 GLN H H 4 8.138 8.138 8.219 -0.081 25782
950 1 15 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.193 -0.096 25782
951 1 15 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.421 -2.532 25782
952 1 15 . 1 1 5 5 ILE H H 5 7.613 7.613 7.221 0.392 25782
953 1 15 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.580 -0.307 25782
954 1 15 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.296 -0.729 25782
955 1 15 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.551 -1.741 25782
956 1 15 . 1 1 6 6 GLN H H 6 8.982 8.982 8.873 0.109 25782
957 1 15 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.527 -0.474 25782
958 1 15 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.027 -1.401 25782
959 1 15 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.665 -4.536 25782
960 1 15 . 1 1 7 7 ALA H H 7 8.226 8.226 8.174 0.052 25782
961 1 15 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.363 -0.376 25782
962 1 15 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.989 -1.807 25782
963 1 15 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.090 -2.618 25782
964 1 15 . 1 1 8 8 LEU H H 8 7.617 7.617 8.261 -0.644 25782
965 1 15 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.758 -0.394 25782
966 1 15 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.694 -2.276 25782
967 1 15 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.834 -1.802 25782
968 1 15 . 1 1 9 9 ASP H H 9 7.375 7.375 8.566 -1.191 25782
969 1 15 . 1 1 10 10 SER HA H 10 4.224 4.224 4.273 -0.049 25782
970 1 15 . 1 1 10 10 SER CA C 10 57.758 57.758 61.319 -3.561 25782
971 1 15 . 1 1 10 10 SER CB C 10 58.172 58.172 63.830 -5.658 25782
972 1 15 . 1 1 10 10 SER H H 10 9.635 9.635 8.890 0.745 25782
973 1 15 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.215 -0.171 25782
974 1 15 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.689 -0.581 25782
975 1 15 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.400 -2.996 25782
976 1 15 . 1 1 11 11 VAL H H 11 8.955 8.955 8.258 0.697 25782
977 1 15 . 1 1 12 12 SER HA H 12 4.483 4.483 4.685 -0.202 25782
978 1 15 . 1 1 12 12 SER CA C 12 55.522 55.522 57.571 -2.049 25782
979 1 15 . 1 1 12 12 SER CB C 12 61.278 61.278 65.906 -4.628 25782
980 1 15 . 1 1 12 12 SER H H 12 7.700 7.700 8.022 -0.322 25782
981 1 15 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.670 -2.384 25782
982 1 15 . 1 1 13 13 GLY H H 13 8.790 8.790 8.406 0.384 25782
983 1 15 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.363 -0.062 25782
984 1 15 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.572 -2.066 25782
985 1 15 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.801 -2.428 25782
986 1 15 . 1 1 14 14 GLN H H 14 8.160 8.160 7.985 0.175 25782
987 1 15 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.168 0.229 25782
988 1 15 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.165 -2.661 25782
989 1 15 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.338 -3.303 25782
990 1 15 . 1 1 15 15 PHE H H 15 8.170 8.170 7.497 0.673 25782
991 1 15 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.281 -0.689 25782
992 1 15 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.372 -3.211 25782
993 1 15 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.551 -2.509 25782
994 1 15 . 1 1 16 16 ARG H H 16 8.904 8.904 8.831 0.073 25782
995 1 15 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.506 -0.175 25782
996 1 15 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.643 -5.126 25782
997 1 15 . 1 1 17 17 ASP H H 17 8.505 8.505 8.924 -0.419 25782
998 1 15 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.265 -0.376 25782
999 1 15 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.247 -2.001 25782
1000 1 15 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.226 -2.723 25782
1001 1 15 . 1 1 18 18 GLN H H 18 8.606 8.606 8.549 0.057 25782
1002 1 15 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.160 0.113 25782
1003 1 15 . 1 1 19 19 LEU CA C 19 52.367 52.367 56.075 -3.708 25782
1004 1 15 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.305 -2.665 25782
1005 1 15 . 1 1 19 19 LEU H H 19 8.305 8.305 7.532 0.773 25782
1006 1 16 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.566 0.088 25782
1007 1 16 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.650 -1.581 25782
1008 1 16 . 1 1 2 2 LEU H H 2 8.218 8.218 8.555 -0.337 25782
1009 1 16 . 1 1 3 3 THR HA H 3 4.427 4.427 4.537 -0.110 25782
1010 1 16 . 1 1 3 3 THR CA C 3 58.900 58.900 60.279 -1.379 25782
1011 1 16 . 1 1 3 3 THR CB C 3 69.080 69.080 70.916 -1.836 25782
1012 1 16 . 1 1 3 3 THR H H 3 7.153 7.153 7.618 -0.465 25782
1013 1 16 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.634 1.167 25782
1014 1 16 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.159 -2.256 25782
1015 1 16 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.781 -2.744 25782
1016 1 16 . 1 1 4 4 GLN H H 4 8.138 8.138 8.258 -0.120 25782
1017 1 16 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.419 -0.322 25782
1018 1 16 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.770 -3.881 25782
1019 1 16 . 1 1 5 5 ILE H H 5 7.613 7.613 7.390 0.223 25782
1020 1 16 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.332 -0.059 25782
1021 1 16 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.848 -1.281 25782
1022 1 16 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.073 -2.263 25782
1023 1 16 . 1 1 6 6 GLN H H 6 8.982 8.982 8.928 0.054 25782
1024 1 16 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.464 -0.411 25782
1025 1 16 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.606 -1.980 25782
1026 1 16 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.911 -3.782 25782
1027 1 16 . 1 1 7 7 ALA H H 7 8.226 8.226 8.205 0.021 25782
1028 1 16 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.533 -0.546 25782
1029 1 16 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.092 -0.910 25782
1030 1 16 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.184 -2.712 25782
1031 1 16 . 1 1 8 8 LEU H H 8 7.617 7.617 8.253 -0.636 25782
1032 1 16 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.711 -0.347 25782
1033 1 16 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.398 -2.981 25782
1034 1 16 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.344 -1.312 25782
1035 1 16 . 1 1 9 9 ASP H H 9 7.375 7.375 8.644 -1.269 25782
1036 1 16 . 1 1 10 10 SER HA H 10 4.224 4.224 4.354 -0.130 25782
1037 1 16 . 1 1 10 10 SER CA C 10 57.758 57.758 61.127 -3.369 25782
1038 1 16 . 1 1 10 10 SER CB C 10 58.172 58.172 63.846 -5.674 25782
1039 1 16 . 1 1 10 10 SER H H 10 9.635 9.635 9.078 0.557 25782
1040 1 16 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.170 -0.126 25782
1041 1 16 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.741 -0.633 25782
1042 1 16 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.713 -3.309 25782
1043 1 16 . 1 1 11 11 VAL H H 11 8.955 8.955 8.208 0.747 25782
1044 1 16 . 1 1 12 12 SER HA H 12 4.483 4.483 4.621 -0.138 25782
1045 1 16 . 1 1 12 12 SER CA C 12 55.522 55.522 57.643 -2.121 25782
1046 1 16 . 1 1 12 12 SER CB C 12 61.278 61.278 65.672 -4.394 25782
1047 1 16 . 1 1 12 12 SER H H 12 7.700 7.700 8.672 -0.972 25782
1048 1 16 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.171 -2.885 25782
1049 1 16 . 1 1 13 13 GLY H H 13 8.790 8.790 8.413 0.377 25782
1050 1 16 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.542 -0.241 25782
1051 1 16 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.591 -2.085 25782
1052 1 16 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.238 -2.865 25782
1053 1 16 . 1 1 14 14 GLN H H 14 8.160 8.160 8.248 -0.088 25782
1054 1 16 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.124 0.273 25782
1055 1 16 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.589 -3.085 25782
1056 1 16 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.877 -3.842 25782
1057 1 16 . 1 1 15 15 PHE H H 15 8.170 8.170 7.750 0.420 25782
1058 1 16 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.418 -0.826 25782
1059 1 16 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.798 -2.637 25782
1060 1 16 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.707 -2.665 25782
1061 1 16 . 1 1 16 16 ARG H H 16 8.904 8.904 8.917 -0.013 25782
1062 1 16 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.534 -0.203 25782
1063 1 16 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.717 -5.200 25782
1064 1 16 . 1 1 17 17 ASP H H 17 8.505 8.505 8.906 -0.401 25782
1065 1 16 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.114 -0.225 25782
1066 1 16 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.639 -3.393 25782
1067 1 16 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.064 -2.561 25782
1068 1 16 . 1 1 18 18 GLN H H 18 8.606 8.606 8.670 -0.064 25782
1069 1 16 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.627 -0.354 25782
1070 1 16 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.272 -1.905 25782
1071 1 16 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.817 -2.177 25782
1072 1 16 . 1 1 19 19 LEU H H 19 8.305 8.305 7.587 0.718 25782
1073 1 17 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.487 0.167 25782
1074 1 17 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.370 -4.301 25782
1075 1 17 . 1 1 2 2 LEU H H 2 8.218 8.218 8.460 -0.242 25782
1076 1 17 . 1 1 3 3 THR HA H 3 4.427 4.427 4.146 0.281 25782
1077 1 17 . 1 1 3 3 THR CA C 3 58.900 58.900 61.987 -3.087 25782
1078 1 17 . 1 1 3 3 THR CB C 3 69.080 69.080 69.416 -0.336 25782
1079 1 17 . 1 1 3 3 THR H H 3 7.153 7.153 7.693 -0.540 25782
1080 1 17 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.888 -0.087 25782
1081 1 17 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.739 -2.836 25782
1082 1 17 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.518 -2.481 25782
1083 1 17 . 1 1 4 4 GLN H H 4 8.138 8.138 8.503 -0.365 25782
1084 1 17 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.014 0.083 25782
1085 1 17 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.650 -4.761 25782
1086 1 17 . 1 1 5 5 ILE H H 5 7.613 7.613 7.248 0.365 25782
1087 1 17 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.721 -0.448 25782
1088 1 17 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.188 -0.621 25782
1089 1 17 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.576 -1.766 25782
1090 1 17 . 1 1 6 6 GLN H H 6 8.982 8.982 8.619 0.363 25782
1091 1 17 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.413 -0.360 25782
1092 1 17 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.674 -2.048 25782
1093 1 17 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.316 -4.186 25782
1094 1 17 . 1 1 7 7 ALA H H 7 8.226 8.226 8.277 -0.051 25782
1095 1 17 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.439 -0.452 25782
1096 1 17 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.351 -1.169 25782
1097 1 17 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.447 -1.975 25782
1098 1 17 . 1 1 8 8 LEU H H 8 7.617 7.617 8.298 -0.681 25782
1099 1 17 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.633 -0.269 25782
1100 1 17 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.929 -3.512 25782
1101 1 17 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.378 -1.346 25782
1102 1 17 . 1 1 9 9 ASP H H 9 7.375 7.375 8.427 -1.052 25782
1103 1 17 . 1 1 10 10 SER HA H 10 4.224 4.224 4.224 0.000 25782
1104 1 17 . 1 1 10 10 SER CA C 10 57.758 57.758 61.467 -3.709 25782
1105 1 17 . 1 1 10 10 SER CB C 10 58.172 58.172 63.672 -5.500 25782
1106 1 17 . 1 1 10 10 SER H H 10 9.635 9.635 9.443 0.192 25782
1107 1 17 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.152 -0.108 25782
1108 1 17 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.857 -0.749 25782
1109 1 17 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.613 -3.209 25782
1110 1 17 . 1 1 11 11 VAL H H 11 8.955 8.955 8.240 0.715 25782
1111 1 17 . 1 1 12 12 SER HA H 12 4.483 4.483 4.614 -0.131 25782
1112 1 17 . 1 1 12 12 SER CA C 12 55.522 55.522 57.665 -2.143 25782
1113 1 17 . 1 1 12 12 SER CB C 12 61.278 61.278 65.653 -4.375 25782
1114 1 17 . 1 1 12 12 SER H H 12 7.700 7.700 8.327 -0.627 25782
1115 1 17 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.255 -2.969 25782
1116 1 17 . 1 1 13 13 GLY H H 13 8.790 8.790 8.471 0.319 25782
1117 1 17 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.455 -0.154 25782
1118 1 17 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.717 -2.211 25782
1119 1 17 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.339 -2.966 25782
1120 1 17 . 1 1 14 14 GLN H H 14 8.160 8.160 8.132 0.028 25782
1121 1 17 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.273 0.124 25782
1122 1 17 . 1 1 15 15 PHE CA C 15 53.504 53.504 54.906 -1.402 25782
1123 1 17 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.199 -3.164 25782
1124 1 17 . 1 1 15 15 PHE H H 15 8.170 8.170 7.492 0.678 25782
1125 1 17 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.368 -0.776 25782
1126 1 17 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.049 -2.888 25782
1127 1 17 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.379 -2.337 25782
1128 1 17 . 1 1 16 16 ARG H H 16 8.904 8.904 9.003 -0.099 25782
1129 1 17 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.657 -0.326 25782
1130 1 17 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.450 -4.933 25782
1131 1 17 . 1 1 17 17 ASP H H 17 8.505 8.505 8.670 -0.165 25782
1132 1 17 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.142 -0.253 25782
1133 1 17 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.863 -3.617 25782
1134 1 17 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.145 -2.642 25782
1135 1 17 . 1 1 18 18 GLN H H 18 8.606 8.606 8.465 0.141 25782
1136 1 17 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.408 -0.135 25782
1137 1 17 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.779 -2.412 25782
1138 1 17 . 1 1 19 19 LEU CB C 19 39.640 39.640 39.108 0.532 25782
1139 1 17 . 1 1 19 19 LEU H H 19 8.305 8.305 8.121 0.184 25782
1140 1 18 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.585 0.069 25782
1141 1 18 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.625 -2.556 25782
1142 1 18 . 1 1 2 2 LEU H H 2 8.218 8.218 8.618 -0.400 25782
1143 1 18 . 1 1 3 3 THR HA H 3 4.427 4.427 4.555 -0.128 25782
1144 1 18 . 1 1 3 3 THR CA C 3 58.900 58.900 59.888 -0.988 25782
1145 1 18 . 1 1 3 3 THR CB C 3 69.080 69.080 70.993 -1.913 25782
1146 1 18 . 1 1 3 3 THR H H 3 7.153 7.153 7.740 -0.587 25782
1147 1 18 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.140 0.661 25782
1148 1 18 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.480 -2.577 25782
1149 1 18 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.247 -3.210 25782
1150 1 18 . 1 1 4 4 GLN H H 4 8.138 8.138 8.295 -0.157 25782
1151 1 18 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.275 -0.178 25782
1152 1 18 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.788 -2.899 25782
1153 1 18 . 1 1 5 5 ILE H H 5 7.613 7.613 7.283 0.330 25782
1154 1 18 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.514 -0.241 25782
1155 1 18 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.870 -0.303 25782
1156 1 18 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.675 -1.865 25782
1157 1 18 . 1 1 6 6 GLN H H 6 8.982 8.982 8.821 0.161 25782
1158 1 18 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.420 -0.367 25782
1159 1 18 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.390 -1.764 25782
1160 1 18 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.470 -4.341 25782
1161 1 18 . 1 1 7 7 ALA H H 7 8.226 8.226 8.125 0.101 25782
1162 1 18 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.292 -0.305 25782
1163 1 18 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.743 -1.561 25782
1164 1 18 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.657 -2.185 25782
1165 1 18 . 1 1 8 8 LEU H H 8 7.617 7.617 8.340 -0.723 25782
1166 1 18 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.536 -0.172 25782
1167 1 18 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.776 -3.359 25782
1168 1 18 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.405 -1.373 25782
1169 1 18 . 1 1 9 9 ASP H H 9 7.375 7.375 8.415 -1.040 25782
1170 1 18 . 1 1 10 10 SER HA H 10 4.224 4.224 4.248 -0.024 25782
1171 1 18 . 1 1 10 10 SER CA C 10 57.758 57.758 60.744 -2.986 25782
1172 1 18 . 1 1 10 10 SER CB C 10 58.172 58.172 63.595 -5.423 25782
1173 1 18 . 1 1 10 10 SER H H 10 9.635 9.635 8.828 0.807 25782
1174 1 18 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.237 -0.193 25782
1175 1 18 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.757 -0.649 25782
1176 1 18 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.830 -3.426 25782
1177 1 18 . 1 1 11 11 VAL H H 11 8.955 8.955 8.467 0.488 25782
1178 1 18 . 1 1 12 12 SER HA H 12 4.483 4.483 4.564 -0.081 25782
1179 1 18 . 1 1 12 12 SER CA C 12 55.522 55.522 57.867 -2.345 25782
1180 1 18 . 1 1 12 12 SER CB C 12 61.278 61.278 65.126 -3.848 25782
1181 1 18 . 1 1 12 12 SER H H 12 7.700 7.700 8.284 -0.584 25782
1182 1 18 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782
1183 1 18 . 1 1 13 13 GLY H H 13 8.790 8.790 8.433 0.357 25782
1184 1 18 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.252 0.049 25782
1185 1 18 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.122 -2.616 25782
1186 1 18 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.525 -2.152 25782
1187 1 18 . 1 1 14 14 GLN H H 14 8.160 8.160 8.448 -0.288 25782
1188 1 18 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.212 0.185 25782
1189 1 18 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.159 -2.655 25782
1190 1 18 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.260 -3.225 25782
1191 1 18 . 1 1 15 15 PHE H H 15 8.170 8.170 7.424 0.746 25782
1192 1 18 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.291 -0.699 25782
1193 1 18 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.030 -2.869 25782
1194 1 18 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.758 -2.716 25782
1195 1 18 . 1 1 16 16 ARG H H 16 8.904 8.904 8.744 0.160 25782
1196 1 18 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.593 -0.262 25782
1197 1 18 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.450 -4.933 25782
1198 1 18 . 1 1 17 17 ASP H H 17 8.505 8.505 8.773 -0.268 25782
1199 1 18 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.085 -0.196 25782
1200 1 18 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.729 -3.483 25782
1201 1 18 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.104 -2.601 25782
1202 1 18 . 1 1 18 18 GLN H H 18 8.606 8.606 8.418 0.188 25782
1203 1 18 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.631 -0.358 25782
1204 1 18 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.192 -1.825 25782
1205 1 18 . 1 1 19 19 LEU CB C 19 39.640 39.640 43.422 -3.782 25782
1206 1 18 . 1 1 19 19 LEU H H 19 8.305 8.305 7.406 0.899 25782
1207 1 19 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.644 0.010 25782
1208 1 19 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.925 -2.856 25782
1209 1 19 . 1 1 2 2 LEU H H 2 8.218 8.218 8.559 -0.341 25782
1210 1 19 . 1 1 3 3 THR HA H 3 4.427 4.427 4.271 0.156 25782
1211 1 19 . 1 1 3 3 THR CA C 3 58.900 58.900 61.500 -2.600 25782
1212 1 19 . 1 1 3 3 THR CB C 3 69.080 69.080 69.359 -0.279 25782
1213 1 19 . 1 1 3 3 THR H H 3 7.153 7.153 7.544 -0.391 25782
1214 1 19 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.479 0.322 25782
1215 1 19 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.795 -2.892 25782
1216 1 19 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.759 -3.723 25782
1217 1 19 . 1 1 4 4 GLN H H 4 8.138 8.138 8.307 -0.169 25782
1218 1 19 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.264 -0.167 25782
1219 1 19 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.951 -3.062 25782
1220 1 19 . 1 1 5 5 ILE H H 5 7.613 7.613 7.617 -0.004 25782
1221 1 19 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.711 -0.438 25782
1222 1 19 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.742 -1.175 25782
1223 1 19 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.695 -2.885 25782
1224 1 19 . 1 1 6 6 GLN H H 6 8.982 8.982 8.879 0.103 25782
1225 1 19 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.581 -0.528 25782
1226 1 19 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.959 -1.333 25782
1227 1 19 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.703 -4.574 25782
1228 1 19 . 1 1 7 7 ALA H H 7 8.226 8.226 8.146 0.080 25782
1229 1 19 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.252 -0.265 25782
1230 1 19 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.476 -1.294 25782
1231 1 19 . 1 1 8 8 LEU CB C 8 39.472 39.472 40.830 -1.358 25782
1232 1 19 . 1 1 8 8 LEU H H 8 7.617 7.617 8.323 -0.706 25782
1233 1 19 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.599 -0.235 25782
1234 1 19 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.650 -3.233 25782
1235 1 19 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.275 -1.243 25782
1236 1 19 . 1 1 9 9 ASP H H 9 7.375 7.375 8.401 -1.026 25782
1237 1 19 . 1 1 10 10 SER HA H 10 4.224 4.224 4.254 -0.030 25782
1238 1 19 . 1 1 10 10 SER CA C 10 57.758 57.758 60.727 -2.969 25782
1239 1 19 . 1 1 10 10 SER CB C 10 58.172 58.172 63.800 -5.628 25782
1240 1 19 . 1 1 10 10 SER H H 10 9.635 9.635 9.283 0.352 25782
1241 1 19 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.203 -0.159 25782
1242 1 19 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.974 -0.866 25782
1243 1 19 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.806 -3.402 25782
1244 1 19 . 1 1 11 11 VAL H H 11 8.955 8.955 8.104 0.851 25782
1245 1 19 . 1 1 12 12 SER HA H 12 4.483 4.483 4.571 -0.088 25782
1246 1 19 . 1 1 12 12 SER CA C 12 55.522 55.522 57.855 -2.333 25782
1247 1 19 . 1 1 12 12 SER CB C 12 61.278 61.278 65.028 -3.750 25782
1248 1 19 . 1 1 12 12 SER H H 12 7.700 7.700 8.293 -0.593 25782
1249 1 19 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.697 -2.411 25782
1250 1 19 . 1 1 13 13 GLY H H 13 8.790 8.790 8.362 0.428 25782
1251 1 19 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.283 0.018 25782
1252 1 19 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.995 -2.490 25782
1253 1 19 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.145 -2.772 25782
1254 1 19 . 1 1 14 14 GLN H H 14 8.160 8.160 8.136 0.024 25782
1255 1 19 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.278 0.119 25782
1256 1 19 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.009 -2.505 25782
1257 1 19 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.142 -3.107 25782
1258 1 19 . 1 1 15 15 PHE H H 15 8.170 8.170 7.378 0.792 25782
1259 1 19 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.260 -0.668 25782
1260 1 19 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.480 -3.318 25782
1261 1 19 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.591 -2.549 25782
1262 1 19 . 1 1 16 16 ARG H H 16 8.904 8.904 8.907 -0.003 25782
1263 1 19 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.652 -0.321 25782
1264 1 19 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.547 -5.030 25782
1265 1 19 . 1 1 17 17 ASP H H 17 8.505 8.505 8.755 -0.250 25782
1266 1 19 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.077 -0.188 25782
1267 1 19 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.599 -3.353 25782
1268 1 19 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.233 -2.730 25782
1269 1 19 . 1 1 18 18 GLN H H 18 8.606 8.606 8.438 0.168 25782
1270 1 19 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.308 -0.035 25782
1271 1 19 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.428 -3.061 25782
1272 1 19 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.256 -2.616 25782
1273 1 19 . 1 1 19 19 LEU H H 19 8.305 8.305 7.685 0.620 25782
1274 1 20 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.569 0.085 25782
1275 1 20 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.069 -4.000 25782
1276 1 20 . 1 1 2 2 LEU H H 2 8.218 8.218 8.504 -0.286 25782
1277 1 20 . 1 1 3 3 THR HA H 3 4.427 4.427 4.365 0.062 25782
1278 1 20 . 1 1 3 3 THR CA C 3 58.900 58.900 60.970 -2.070 25782
1279 1 20 . 1 1 3 3 THR CB C 3 69.080 69.080 70.180 -1.100 25782
1280 1 20 . 1 1 3 3 THR H H 3 7.153 7.153 7.567 -0.414 25782
1281 1 20 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.179 0.622 25782
1282 1 20 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.320 -2.417 25782
1283 1 20 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.950 -2.913 25782
1284 1 20 . 1 1 4 4 GLN H H 4 8.138 8.138 8.253 -0.115 25782
1285 1 20 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.185 -0.088 25782
1286 1 20 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.665 -2.776 25782
1287 1 20 . 1 1 5 5 ILE H H 5 7.613 7.613 7.210 0.403 25782
1288 1 20 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.725 -0.452 25782
1289 1 20 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.494 0.073 25782
1290 1 20 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.272 -1.462 25782
1291 1 20 . 1 1 6 6 GLN H H 6 8.982 8.982 8.838 0.144 25782
1292 1 20 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.610 -0.557 25782
1293 1 20 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.177 -1.551 25782
1294 1 20 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.627 -4.498 25782
1295 1 20 . 1 1 7 7 ALA H H 7 8.226 8.226 8.152 0.074 25782
1296 1 20 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.333 -0.346 25782
1297 1 20 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.079 -0.897 25782
1298 1 20 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.332 -1.860 25782
1299 1 20 . 1 1 8 8 LEU H H 8 7.617 7.617 8.367 -0.750 25782
1300 1 20 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.566 -0.202 25782
1301 1 20 . 1 1 9 9 ASP CA C 9 51.417 51.417 55.051 -3.634 25782
1302 1 20 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.237 -1.205 25782
1303 1 20 . 1 1 9 9 ASP H H 9 7.375 7.375 8.239 -0.864 25782
1304 1 20 . 1 1 10 10 SER HA H 10 4.224 4.224 4.329 -0.105 25782
1305 1 20 . 1 1 10 10 SER CA C 10 57.758 57.758 60.504 -2.746 25782
1306 1 20 . 1 1 10 10 SER CB C 10 58.172 58.172 63.889 -5.717 25782
1307 1 20 . 1 1 10 10 SER H H 10 9.635 9.635 9.080 0.555 25782
1308 1 20 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.225 -0.181 25782
1309 1 20 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.730 -0.622 25782
1310 1 20 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.626 -3.222 25782
1311 1 20 . 1 1 11 11 VAL H H 11 8.955 8.955 8.450 0.505 25782
1312 1 20 . 1 1 12 12 SER HA H 12 4.483 4.483 4.603 -0.120 25782
1313 1 20 . 1 1 12 12 SER CA C 12 55.522 55.522 57.497 -1.975 25782
1314 1 20 . 1 1 12 12 SER CB C 12 61.278 61.278 65.154 -3.876 25782
1315 1 20 . 1 1 12 12 SER H H 12 7.700 7.700 8.438 -0.738 25782
1316 1 20 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.751 -2.465 25782
1317 1 20 . 1 1 13 13 GLY H H 13 8.790 8.790 8.459 0.331 25782
1318 1 20 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.266 0.035 25782
1319 1 20 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.134 -2.628 25782
1320 1 20 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.978 -2.605 25782
1321 1 20 . 1 1 14 14 GLN H H 14 8.160 8.160 8.069 0.090 25782
1322 1 20 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.320 0.077 25782
1323 1 20 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.728 -2.224 25782
1324 1 20 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.845 -2.810 25782
1325 1 20 . 1 1 15 15 PHE H H 15 8.170 8.170 7.379 0.791 25782
1326 1 20 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.282 -0.690 25782
1327 1 20 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.128 -2.967 25782
1328 1 20 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.664 -2.622 25782
1329 1 20 . 1 1 16 16 ARG H H 16 8.904 8.904 8.643 0.261 25782
1330 1 20 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.623 -0.292 25782
1331 1 20 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.407 -4.890 25782
1332 1 20 . 1 1 17 17 ASP H H 17 8.505 8.505 8.837 -0.332 25782
1333 1 20 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.162 -0.273 25782
1334 1 20 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.791 -3.545 25782
1335 1 20 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.650 -2.147 25782
1336 1 20 . 1 1 18 18 GLN H H 18 8.606 8.606 8.610 -0.004 25782
1337 1 20 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.122 0.151 25782
1338 1 20 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.248 -2.881 25782
1339 1 20 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.908 -2.268 25782
1340 1 20 . 1 1 19 19 LEU H H 19 8.305 8.305 7.789 0.516 25782
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 25782
2 1 1 "Average Difference" HA 19 0.408 0.017 0.419 25782
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25782
4 1 1 "Average Difference" CA 15 2.617 2.502 0.794 25782
5 1 1 "Average Difference" CB 17 3.334 3.055 1.377 25782
6 1 1 "Average Difference" HN 18 0.505 0.020 0.519 25782
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25782
8 1 2 "Average Difference" HA 19 0.384 0.111 0.378 25782
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25782
10 1 2 "Average Difference" CA 15 2.404 2.260 0.848 25782
11 1 2 "Average Difference" CB 17 3.368 3.139 1.258 25782
12 1 2 "Average Difference" HN 18 0.460 0.027 0.472 25782
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25782
14 1 3 "Average Difference" HA 19 0.401 0.101 0.398 25782
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25782
16 1 3 "Average Difference" CA 15 2.236 2.131 0.702 25782
17 1 3 "Average Difference" CB 17 3.335 3.121 1.212 25782
18 1 3 "Average Difference" HN 18 0.459 0.050 0.470 25782
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25782
20 1 4 "Average Difference" HA 19 0.359 0.118 0.348 25782
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25782
22 1 4 "Average Difference" CA 15 2.467 2.291 0.948 25782
23 1 4 "Average Difference" CB 17 3.525 3.248 1.411 25782
24 1 4 "Average Difference" HN 18 0.451 0.077 0.457 25782
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25782
26 1 5 "Average Difference" HA 19 0.388 0.084 0.389 25782
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25782
28 1 5 "Average Difference" CA 15 2.478 2.304 0.944 25782
29 1 5 "Average Difference" CB 17 3.531 3.299 1.297 25782
30 1 5 "Average Difference" HN 18 0.461 0.067 0.469 25782
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25782
32 1 6 "Average Difference" HA 19 0.353 0.068 0.356 25782
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25782
34 1 6 "Average Difference" CA 15 2.604 2.435 0.954 25782
35 1 6 "Average Difference" CB 17 3.255 3.032 1.222 25782
36 1 6 "Average Difference" HN 18 0.489 -0.026 0.502 25782
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25782
38 1 7 "Average Difference" HA 19 0.432 0.105 0.430 25782
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25782
40 1 7 "Average Difference" CA 15 2.410 2.223 0.965 25782
41 1 7 "Average Difference" CB 17 3.254 3.015 1.262 25782
42 1 7 "Average Difference" HN 18 0.421 0.017 0.433 25782
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25782
44 1 8 "Average Difference" HA 19 0.403 0.121 0.395 25782
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25782
46 1 8 "Average Difference" CA 15 2.618 2.446 0.966 25782
47 1 8 "Average Difference" CB 17 3.327 3.159 1.075 25782
48 1 8 "Average Difference" HN 18 0.516 -0.044 0.529 25782
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25782
50 1 9 "Average Difference" HA 19 0.318 0.091 0.313 25782
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25782
52 1 9 "Average Difference" CA 15 2.381 2.281 0.707 25782
53 1 9 "Average Difference" CB 17 3.393 3.144 1.314 25782
54 1 9 "Average Difference" HN 18 0.450 0.023 0.462 25782
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25782
56 1 10 "Average Difference" HA 19 0.385 0.102 0.381 25782
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25782
58 1 10 "Average Difference" CA 15 2.489 2.349 0.851 25782
59 1 10 "Average Difference" CB 17 3.337 3.119 1.223 25782
60 1 10 "Average Difference" HN 18 0.466 -0.024 0.479 25782
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25782
62 1 11 "Average Difference" HA 19 0.300 0.082 0.297 25782
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25782
64 1 11 "Average Difference" CA 15 2.433 2.345 0.672 25782
65 1 11 "Average Difference" CB 17 3.408 3.170 1.291 25782
66 1 11 "Average Difference" HN 18 0.468 0.003 0.482 25782
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25782
68 1 12 "Average Difference" HA 19 0.337 0.092 0.333 25782
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25782
70 1 12 "Average Difference" CA 15 2.484 2.256 1.076 25782
71 1 12 "Average Difference" CB 17 3.237 3.006 1.238 25782
72 1 12 "Average Difference" HN 18 0.443 -0.040 0.454 25782
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25782
74 1 13 "Average Difference" HA 19 0.383 0.073 0.387 25782
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25782
76 1 13 "Average Difference" CA 15 2.378 2.246 0.809 25782
77 1 13 "Average Difference" CB 17 3.275 3.065 1.190 25782
78 1 13 "Average Difference" HN 18 0.462 -0.012 0.475 25782
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25782
80 1 14 "Average Difference" HA 19 0.346 0.075 0.347 25782
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25782
82 1 14 "Average Difference" CA 15 2.498 2.372 0.811 25782
83 1 14 "Average Difference" CB 17 3.210 2.890 1.440 25782
84 1 14 "Average Difference" HN 18 0.514 -0.016 0.529 25782
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25782
86 1 15 "Average Difference" HA 19 0.388 0.046 0.396 25782
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25782
88 1 15 "Average Difference" CA 15 2.414 2.248 0.912 25782
89 1 15 "Average Difference" CB 17 3.408 3.157 1.323 25782
90 1 15 "Average Difference" HN 18 0.514 -0.047 0.527 25782
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25782
92 1 16 "Average Difference" HA 19 0.425 0.098 0.425 25782
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25782
94 1 16 "Average Difference" CA 15 2.349 2.193 0.872 25782
95 1 16 "Average Difference" CB 17 3.324 3.106 1.221 25782
96 1 16 "Average Difference" HN 18 0.539 0.069 0.550 25782
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25782
98 1 17 "Average Difference" HA 19 0.330 0.103 0.322 25782
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25782
100 1 17 "Average Difference" CA 15 2.552 2.358 1.009 25782
101 1 17 "Average Difference" CB 17 3.337 2.926 1.654 25782
102 1 17 "Average Difference" HN 18 0.466 0.047 0.478 25782
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25782
104 1 18 "Average Difference" HA 19 0.310 0.089 0.305 25782
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25782
106 1 18 "Average Difference" CA 15 2.348 2.159 0.957 25782
107 1 18 "Average Difference" CB 17 3.269 3.085 1.113 25782
108 1 18 "Average Difference" HN 18 0.538 -0.011 0.554 25782
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25782
110 1 19 "Average Difference" HA 19 0.297 0.098 0.288 25782
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25782
112 1 19 "Average Difference" CA 15 2.521 2.389 0.834 25782
113 1 19 "Average Difference" CB 17 3.297 3.033 1.333 25782
114 1 19 "Average Difference" HN 18 0.492 0.004 0.506 25782
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25782
116 1 20 "Average Difference" HA 19 0.349 0.071 0.351 25782
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25782
118 1 20 "Average Difference" CA 15 2.394 2.170 1.047 25782
119 1 20 "Average Difference" CB 17 3.199 2.939 1.302 25782
120 1 20 "Average Difference" HN 18 0.475 -0.009 0.489 25782
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 25782
_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 LEU HA H 2 4.654 4.654 4.539 0.115 25782
2 1 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.638 -3.569 25782
3 1 . 1 1 2 2 LEU H H 2 8.218 8.218 8.562 -0.344 25782
4 1 . 1 1 3 3 THR HA H 3 4.427 4.427 4.304 0.123 25782
5 1 . 1 1 3 3 THR CA C 3 58.900 58.900 61.308 -2.408 25782
6 1 . 1 1 3 3 THR CB C 3 69.080 69.080 70.045 -0.965 25782
7 1 . 1 1 3 3 THR H H 3 7.153 7.153 7.713 -0.560 25782
8 1 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.191 0.610 25782
9 1 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.425 -2.522 25782
10 1 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.080 -3.044 25782
11 1 . 1 1 4 4 GLN H H 4 8.138 8.138 8.307 -0.169 25782
12 1 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.224 -0.127 25782
13 1 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.415 -3.526 25782
14 1 . 1 1 5 5 ILE H H 5 7.613 7.613 7.331 0.282 25782
15 1 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.691 -0.418 25782
16 1 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.511 -0.944 25782
17 1 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.212 -2.402 25782
18 1 . 1 1 6 6 GLN H H 6 8.982 8.982 8.789 0.193 25782
19 1 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.530 -0.477 25782
20 1 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.315 -1.689 25782
21 1 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.446 -4.317 25782
22 1 . 1 1 7 7 ALA H H 7 8.226 8.226 8.259 -0.033 25782
23 1 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.389 -0.402 25782
24 1 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.507 -1.325 25782
25 1 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.138 -2.666 25782
26 1 . 1 1 8 8 LEU H H 8 7.617 7.617 8.286 -0.669 25782
27 1 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.692 -0.328 25782
28 1 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.457 -3.040 25782
29 1 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.553 -1.521 25782
30 1 . 1 1 9 9 ASP H H 9 7.375 7.375 8.281 -0.906 25782
31 1 . 1 1 10 10 SER HA H 10 4.224 4.224 4.253 -0.029 25782
32 1 . 1 1 10 10 SER CA C 10 57.758 57.758 60.924 -3.166 25782
33 1 . 1 1 10 10 SER CB C 10 58.172 58.172 63.673 -5.501 25782
34 1 . 1 1 10 10 SER H H 10 9.635 9.635 9.042 0.593 25782
35 1 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.156 -0.112 25782
36 1 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.023 -0.915 25782
37 1 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.352 -2.948 25782
38 1 . 1 1 11 11 VAL H H 11 8.955 8.955 8.326 0.629 25782
39 1 . 1 1 12 12 SER HA H 12 4.483 4.483 4.589 -0.106 25782
40 1 . 1 1 12 12 SER CA C 12 55.522 55.522 57.755 -2.233 25782
41 1 . 1 1 12 12 SER CB C 12 61.278 61.278 65.133 -3.855 25782
42 1 . 1 1 12 12 SER H H 12 7.700 7.700 8.164 -0.464 25782
43 1 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.831 -2.545 25782
44 1 . 1 1 13 13 GLY H H 13 8.790 8.790 8.398 0.392 25782
45 1 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.386 -0.085 25782
46 1 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.862 -2.356 25782
47 1 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.145 -2.772 25782
48 1 . 1 1 14 14 GLN H H 14 8.160 8.160 8.181 -0.021 25782
49 1 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.281 0.116 25782
50 1 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.832 -2.328 25782
51 1 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.174 -3.139 25782
52 1 . 1 1 15 15 PHE H H 15 8.170 8.170 7.501 0.669 25782
53 1 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.345 -0.753 25782
54 1 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.054 -2.893 25782
55 1 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.683 -2.641 25782
56 1 . 1 1 16 16 ARG H H 16 8.904 8.904 8.874 0.030 25782
57 1 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.624 -0.293 25782
58 1 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.540 -5.023 25782
59 1 . 1 1 17 17 ASP H H 17 8.505 8.505 8.771 -0.266 25782
60 1 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.121 -0.232 25782
61 1 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.583 -3.337 25782
62 1 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.004 -2.501 25782
63 1 . 1 1 18 18 GLN H H 18 8.606 8.606 8.591 0.015 25782
64 1 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.266 0.007 25782
65 1 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.134 -2.767 25782
66 1 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.702 -2.062 25782
67 1 . 1 1 19 19 LEU H H 19 8.305 8.305 7.832 0.473 25782
stop_
save_