data_17884
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17884
_Entry.PDB_ID 2LI9
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 17884
_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 ALA HA H 2 4.097 4.097 3.973 0.124 17884
2 1 1 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.532 -1.594 17884
3 1 1 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.393 -3.124 17884
4 1 1 . 1 1 2 2 ALA H H 2 8.360 8.360 8.338 0.022 17884
5 1 1 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.312 -0.272 17884
6 1 1 . 1 1 3 3 GLU H H 3 8.289 8.289 8.428 -0.139 17884
7 1 1 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.279 0.086 17884
8 1 1 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.035 -0.538 17884
9 1 1 . 1 1 4 4 PHE H H 4 8.238 8.238 7.850 0.388 17884
10 1 1 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.741 -1.397 17884
11 1 1 . 1 1 5 5 GLY H H 5 8.353 8.353 7.423 0.930 17884
12 1 1 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.351 0.079 17884
13 1 1 . 1 1 6 6 HIS H H 6 8.090 8.090 7.388 0.702 17884
14 1 1 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.330 0.154 17884
15 1 1 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.701 -3.384 17884
16 1 1 . 1 1 7 7 ASP H H 7 8.425 8.425 8.103 0.322 17884
17 1 1 . 1 1 8 8 SER HA H 8 4.188 4.188 4.280 -0.092 17884
18 1 1 . 1 1 8 8 SER CA C 8 57.528 57.528 57.276 0.252 17884
19 1 1 . 1 1 8 8 SER CB C 8 61.930 61.930 65.178 -3.248 17884
20 1 1 . 1 1 8 8 SER H H 8 8.353 8.353 7.296 1.057 17884
21 1 1 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.871 -1.354 17884
22 1 1 . 1 1 9 9 GLY H H 9 8.420 8.420 8.305 0.115 17884
23 1 1 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.688 -0.298 17884
24 1 1 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.242 -1.690 17884
25 1 1 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.136 -1.346 17884
26 1 1 . 1 1 10 10 PHE H H 10 7.964 7.964 7.467 0.497 17884
27 1 1 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.320 -0.209 17884
28 1 1 . 1 1 11 11 GLU H H 11 8.353 8.353 7.476 0.877 17884
29 1 1 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.713 0.118 17884
30 1 1 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.003 -1.496 17884
31 1 1 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.888 -1.209 17884
32 1 1 . 1 1 12 12 VAL H H 12 8.152 8.152 7.958 0.194 17884
33 1 1 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.366 -0.273 17884
34 1 1 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.842 -0.210 17884
35 1 1 . 1 1 13 13 ARG H H 13 8.158 8.158 8.258 -0.100 17884
36 1 1 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.337 0.194 17884
37 1 1 . 1 1 14 14 HIS H H 14 8.287 8.287 8.703 -0.416 17884
38 1 1 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.251 -0.093 17884
39 1 1 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.352 -2.342 17884
40 1 1 . 1 1 15 15 GLN H H 15 8.286 8.286 9.137 -0.851 17884
41 1 2 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.626 0.471 17884
42 1 2 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.506 -1.568 17884
43 1 2 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.959 -2.690 17884
44 1 2 . 1 1 2 2 ALA H H 2 8.360 8.360 8.248 0.112 17884
45 1 2 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.304 -0.264 17884
46 1 2 . 1 1 3 3 GLU H H 3 8.289 8.289 8.504 -0.215 17884
47 1 2 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.297 0.068 17884
48 1 2 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.916 -0.419 17884
49 1 2 . 1 1 4 4 PHE H H 4 8.238 8.238 7.973 0.265 17884
50 1 2 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.856 -1.512 17884
51 1 2 . 1 1 5 5 GLY H H 5 8.353 8.353 7.521 0.832 17884
52 1 2 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.677 -0.247 17884
53 1 2 . 1 1 6 6 HIS H H 6 8.090 8.090 7.495 0.595 17884
54 1 2 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.457 0.027 17884
55 1 2 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.165 -1.848 17884
56 1 2 . 1 1 7 7 ASP H H 7 8.425 8.425 8.288 0.137 17884
57 1 2 . 1 1 8 8 SER HA H 8 4.188 4.188 4.427 -0.239 17884
58 1 2 . 1 1 8 8 SER CA C 8 57.528 57.528 57.736 -0.208 17884
59 1 2 . 1 1 8 8 SER CB C 8 61.930 61.930 64.023 -2.093 17884
60 1 2 . 1 1 8 8 SER H H 8 8.353 8.353 6.765 1.588 17884
61 1 2 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.029 -1.512 17884
62 1 2 . 1 1 9 9 GLY H H 9 8.420 8.420 8.371 0.049 17884
63 1 2 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.867 -0.477 17884
64 1 2 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.116 -1.564 17884
65 1 2 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.552 -1.762 17884
66 1 2 . 1 1 10 10 PHE H H 10 7.964 7.964 7.615 0.349 17884
67 1 2 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.292 -0.181 17884
68 1 2 . 1 1 11 11 GLU H H 11 8.353 8.353 7.868 0.485 17884
69 1 2 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.662 0.169 17884
70 1 2 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.088 -1.581 17884
71 1 2 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.761 -1.082 17884
72 1 2 . 1 1 12 12 VAL H H 12 8.152 8.152 7.905 0.247 17884
73 1 2 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.469 -0.376 17884
74 1 2 . 1 1 13 13 ARG CA C 13 54.632 54.632 53.438 1.194 17884
75 1 2 . 1 1 13 13 ARG H H 13 8.158 8.158 8.330 -0.172 17884
76 1 2 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.254 0.277 17884
77 1 2 . 1 1 14 14 HIS H H 14 8.287 8.287 8.615 -0.328 17884
78 1 2 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.503 -0.345 17884
79 1 2 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.590 -0.580 17884
80 1 2 . 1 1 15 15 GLN H H 15 8.286 8.286 7.954 0.332 17884
81 1 3 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.323 0.774 17884
82 1 3 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.581 -0.643 17884
83 1 3 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.209 -1.940 17884
84 1 3 . 1 1 2 2 ALA H H 2 8.360 8.360 7.984 0.376 17884
85 1 3 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.432 -0.392 17884
86 1 3 . 1 1 3 3 GLU H H 3 8.289 8.289 8.731 -0.442 17884
87 1 3 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.466 -0.101 17884
88 1 3 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.427 -0.930 17884
89 1 3 . 1 1 4 4 PHE H H 4 8.238 8.238 7.505 0.733 17884
90 1 3 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.083 -1.739 17884
91 1 3 . 1 1 5 5 GLY H H 5 8.353 8.353 7.506 0.847 17884
92 1 3 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.610 -0.180 17884
93 1 3 . 1 1 6 6 HIS H H 6 8.090 8.090 7.249 0.841 17884
94 1 3 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.397 0.087 17884
95 1 3 . 1 1 7 7 ASP CA C 7 52.317 52.317 51.792 0.525 17884
96 1 3 . 1 1 7 7 ASP H H 7 8.425 8.425 7.262 1.163 17884
97 1 3 . 1 1 8 8 SER HA H 8 4.188 4.188 3.983 0.205 17884
98 1 3 . 1 1 8 8 SER CA C 8 57.528 57.528 60.329 -2.801 17884
99 1 3 . 1 1 8 8 SER CB C 8 61.930 61.930 63.168 -1.238 17884
100 1 3 . 1 1 8 8 SER H H 8 8.353 8.353 8.151 0.202 17884
101 1 3 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.387 -1.870 17884
102 1 3 . 1 1 9 9 GLY H H 9 8.420 8.420 8.096 0.324 17884
103 1 3 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.548 -0.158 17884
104 1 3 . 1 1 10 10 PHE CA C 10 56.552 56.552 57.962 -1.410 17884
105 1 3 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.047 -1.257 17884
106 1 3 . 1 1 10 10 PHE H H 10 7.964 7.964 7.528 0.436 17884
107 1 3 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.427 -0.316 17884
108 1 3 . 1 1 11 11 GLU H H 11 8.353 8.353 7.785 0.568 17884
109 1 3 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.954 -0.123 17884
110 1 3 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.370 -1.863 17884
111 1 3 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.163 -1.484 17884
112 1 3 . 1 1 12 12 VAL H H 12 8.152 8.152 8.169 -0.017 17884
113 1 3 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.270 -0.177 17884
114 1 3 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.344 -0.713 17884
115 1 3 . 1 1 13 13 ARG H H 13 8.158 8.158 8.405 -0.247 17884
116 1 3 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.406 0.125 17884
117 1 3 . 1 1 14 14 HIS H H 14 8.287 8.287 8.702 -0.415 17884
118 1 3 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.538 -0.380 17884
119 1 3 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.914 -0.904 17884
120 1 3 . 1 1 15 15 GLN H H 15 8.286 8.286 8.708 -0.422 17884
121 1 4 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.769 0.328 17884
122 1 4 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.500 -1.562 17884
123 1 4 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.075 -2.806 17884
124 1 4 . 1 1 2 2 ALA H H 2 8.360 8.360 8.304 0.056 17884
125 1 4 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.342 -0.302 17884
126 1 4 . 1 1 3 3 GLU H H 3 8.289 8.289 8.574 -0.285 17884
127 1 4 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.360 0.005 17884
128 1 4 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.406 -0.909 17884
129 1 4 . 1 1 4 4 PHE H H 4 8.238 8.238 7.206 1.032 17884
130 1 4 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.994 -1.650 17884
131 1 4 . 1 1 5 5 GLY H H 5 8.353 8.353 7.309 1.044 17884
132 1 4 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.814 0.616 17884
133 1 4 . 1 1 6 6 HIS H H 6 8.090 8.090 7.399 0.691 17884
134 1 4 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.304 0.180 17884
135 1 4 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.343 -4.026 17884
136 1 4 . 1 1 7 7 ASP H H 7 8.425 8.425 7.831 0.594 17884
137 1 4 . 1 1 8 8 SER HA H 8 4.188 4.188 3.709 0.479 17884
138 1 4 . 1 1 8 8 SER CA C 8 57.528 57.528 58.265 -0.737 17884
139 1 4 . 1 1 8 8 SER CB C 8 61.930 61.930 63.493 -1.563 17884
140 1 4 . 1 1 8 8 SER H H 8 8.353 8.353 7.429 0.924 17884
141 1 4 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.096 -1.579 17884
142 1 4 . 1 1 9 9 GLY H H 9 8.420 8.420 8.061 0.359 17884
143 1 4 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.670 -0.280 17884
144 1 4 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.032 -1.480 17884
145 1 4 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.454 -0.664 17884
146 1 4 . 1 1 10 10 PHE H H 10 7.964 7.964 7.493 0.471 17884
147 1 4 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.356 -0.245 17884
148 1 4 . 1 1 11 11 GLU H H 11 8.353 8.353 8.078 0.275 17884
149 1 4 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.082 -0.251 17884
150 1 4 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.197 -0.690 17884
151 1 4 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.818 -2.139 17884
152 1 4 . 1 1 12 12 VAL H H 12 8.152 8.152 7.954 0.198 17884
153 1 4 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.377 -0.284 17884
154 1 4 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.637 -1.005 17884
155 1 4 . 1 1 13 13 ARG H H 13 8.158 8.158 8.325 -0.167 17884
156 1 4 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.337 0.194 17884
157 1 4 . 1 1 14 14 HIS H H 14 8.287 8.287 8.728 -0.441 17884
158 1 4 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.189 -0.031 17884
159 1 4 . 1 1 15 15 GLN CA C 15 54.010 54.010 57.414 -3.404 17884
160 1 4 . 1 1 15 15 GLN H H 15 8.286 8.286 8.664 -0.378 17884
161 1 5 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.425 0.672 17884
162 1 5 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.984 -2.046 17884
163 1 5 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.459 -2.190 17884
164 1 5 . 1 1 2 2 ALA H H 2 8.360 8.360 8.166 0.194 17884
165 1 5 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.315 -0.275 17884
166 1 5 . 1 1 3 3 GLU H H 3 8.289 8.289 8.647 -0.358 17884
167 1 5 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.384 -0.019 17884
168 1 5 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.169 -0.672 17884
169 1 5 . 1 1 4 4 PHE H H 4 8.238 8.238 7.778 0.460 17884
170 1 5 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.941 -1.597 17884
171 1 5 . 1 1 5 5 GLY H H 5 8.353 8.353 7.736 0.617 17884
172 1 5 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.433 -0.003 17884
173 1 5 . 1 1 6 6 HIS H H 6 8.090 8.090 7.515 0.575 17884
174 1 5 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.342 0.142 17884
175 1 5 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.160 -1.843 17884
176 1 5 . 1 1 7 7 ASP H H 7 8.425 8.425 7.833 0.592 17884
177 1 5 . 1 1 8 8 SER HA H 8 4.188 4.188 4.477 -0.289 17884
178 1 5 . 1 1 8 8 SER CA C 8 57.528 57.528 57.686 -0.158 17884
179 1 5 . 1 1 8 8 SER CB C 8 61.930 61.930 63.721 -1.791 17884
180 1 5 . 1 1 8 8 SER H H 8 8.353 8.353 6.744 1.609 17884
181 1 5 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.456 -1.939 17884
182 1 5 . 1 1 9 9 GLY H H 9 8.420 8.420 8.134 0.286 17884
183 1 5 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.778 -0.388 17884
184 1 5 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.257 -1.705 17884
185 1 5 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.489 -1.699 17884
186 1 5 . 1 1 10 10 PHE H H 10 7.964 7.964 6.794 1.170 17884
187 1 5 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.299 -0.188 17884
188 1 5 . 1 1 11 11 GLU H H 11 8.353 8.353 7.878 0.475 17884
189 1 5 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.914 -0.083 17884
190 1 5 . 1 1 12 12 VAL CA C 12 61.507 61.507 61.986 -0.479 17884
191 1 5 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.633 -1.954 17884
192 1 5 . 1 1 12 12 VAL H H 12 8.152 8.152 7.909 0.243 17884
193 1 5 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.230 -0.137 17884
194 1 5 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.348 -0.716 17884
195 1 5 . 1 1 13 13 ARG H H 13 8.158 8.158 8.366 -0.208 17884
196 1 5 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.236 0.295 17884
197 1 5 . 1 1 14 14 HIS H H 14 8.287 8.287 8.645 -0.358 17884
198 1 5 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.226 -0.068 17884
199 1 5 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.296 -2.286 17884
200 1 5 . 1 1 15 15 GLN H H 15 8.286 8.286 8.875 -0.589 17884
201 1 6 . 1 1 2 2 ALA HA H 2 4.097 4.097 2.878 1.219 17884
202 1 6 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.665 -1.727 17884
203 1 6 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.576 -0.307 17884
204 1 6 . 1 1 2 2 ALA H H 2 8.360 8.360 8.283 0.077 17884
205 1 6 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.147 -0.107 17884
206 1 6 . 1 1 3 3 GLU H H 3 8.289 8.289 8.361 -0.072 17884
207 1 6 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.267 0.098 17884
208 1 6 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.751 -0.253 17884
209 1 6 . 1 1 4 4 PHE H H 4 8.238 8.238 7.337 0.901 17884
210 1 6 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.729 -1.385 17884
211 1 6 . 1 1 5 5 GLY H H 5 8.353 8.353 7.528 0.825 17884
212 1 6 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.637 0.793 17884
213 1 6 . 1 1 6 6 HIS H H 6 8.090 8.090 7.303 0.787 17884
214 1 6 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.395 0.089 17884
215 1 6 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.269 -2.952 17884
216 1 6 . 1 1 7 7 ASP H H 7 8.425 8.425 8.352 0.073 17884
217 1 6 . 1 1 8 8 SER HA H 8 4.188 4.188 4.110 0.078 17884
218 1 6 . 1 1 8 8 SER CA C 8 57.528 57.528 57.890 -0.362 17884
219 1 6 . 1 1 8 8 SER CB C 8 61.930 61.930 63.772 -1.842 17884
220 1 6 . 1 1 8 8 SER H H 8 8.353 8.353 7.419 0.934 17884
221 1 6 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.673 -1.156 17884
222 1 6 . 1 1 9 9 GLY H H 9 8.420 8.420 8.013 0.407 17884
223 1 6 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.537 -0.147 17884
224 1 6 . 1 1 10 10 PHE CA C 10 56.552 56.552 59.949 -3.397 17884
225 1 6 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.711 -0.921 17884
226 1 6 . 1 1 10 10 PHE H H 10 7.964 7.964 7.323 0.641 17884
227 1 6 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.349 -0.238 17884
228 1 6 . 1 1 11 11 GLU H H 11 8.353 8.353 8.087 0.266 17884
229 1 6 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.001 -0.170 17884
230 1 6 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.178 -0.671 17884
231 1 6 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.651 -1.972 17884
232 1 6 . 1 1 12 12 VAL H H 12 8.152 8.152 7.781 0.371 17884
233 1 6 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.327 -0.234 17884
234 1 6 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.035 -0.404 17884
235 1 6 . 1 1 13 13 ARG H H 13 8.158 8.158 8.315 -0.157 17884
236 1 6 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.504 0.027 17884
237 1 6 . 1 1 14 14 HIS H H 14 8.287 8.287 8.391 -0.104 17884
238 1 6 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.328 -0.170 17884
239 1 6 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.279 -1.269 17884
240 1 6 . 1 1 15 15 GLN H H 15 8.286 8.286 9.158 -0.872 17884
241 1 7 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.483 0.614 17884
242 1 7 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.312 -1.374 17884
243 1 7 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.201 -1.932 17884
244 1 7 . 1 1 2 2 ALA H H 2 8.360 8.360 8.014 0.346 17884
245 1 7 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.419 -0.379 17884
246 1 7 . 1 1 3 3 GLU H H 3 8.289 8.289 8.774 -0.485 17884
247 1 7 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.416 -0.051 17884
248 1 7 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.838 -0.341 17884
249 1 7 . 1 1 4 4 PHE H H 4 8.238 8.238 7.639 0.599 17884
250 1 7 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.982 -1.638 17884
251 1 7 . 1 1 5 5 GLY H H 5 8.353 8.353 7.511 0.842 17884
252 1 7 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.345 0.085 17884
253 1 7 . 1 1 6 6 HIS H H 6 8.090 8.090 7.288 0.802 17884
254 1 7 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.434 0.050 17884
255 1 7 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.364 -2.047 17884
256 1 7 . 1 1 7 7 ASP H H 7 8.425 8.425 8.073 0.352 17884
257 1 7 . 1 1 8 8 SER HA H 8 4.188 4.188 4.395 -0.207 17884
258 1 7 . 1 1 8 8 SER CA C 8 57.528 57.528 57.777 -0.249 17884
259 1 7 . 1 1 8 8 SER CB C 8 61.930 61.930 63.613 -1.683 17884
260 1 7 . 1 1 8 8 SER H H 8 8.353 8.353 7.030 1.323 17884
261 1 7 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.234 -1.717 17884
262 1 7 . 1 1 9 9 GLY H H 9 8.420 8.420 8.244 0.176 17884
263 1 7 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.856 -0.466 17884
264 1 7 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.138 -1.586 17884
265 1 7 . 1 1 10 10 PHE CB C 10 37.790 37.790 40.395 -2.606 17884
266 1 7 . 1 1 10 10 PHE H H 10 7.964 7.964 7.269 0.695 17884
267 1 7 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.251 -0.140 17884
268 1 7 . 1 1 11 11 GLU H H 11 8.353 8.353 7.451 0.902 17884
269 1 7 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.846 -0.015 17884
270 1 7 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.455 -0.948 17884
271 1 7 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.197 -1.518 17884
272 1 7 . 1 1 12 12 VAL H H 12 8.152 8.152 7.937 0.215 17884
273 1 7 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.201 -0.108 17884
274 1 7 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.661 -1.029 17884
275 1 7 . 1 1 13 13 ARG H H 13 8.158 8.158 8.374 -0.216 17884
276 1 7 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.339 0.192 17884
277 1 7 . 1 1 14 14 HIS H H 14 8.287 8.287 8.568 -0.281 17884
278 1 7 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.428 -0.270 17884
279 1 7 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.910 -1.900 17884
280 1 7 . 1 1 15 15 GLN H H 15 8.286 8.286 9.042 -0.756 17884
281 1 8 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.505 0.592 17884
282 1 8 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.907 -0.969 17884
283 1 8 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.555 -2.285 17884
284 1 8 . 1 1 2 2 ALA H H 2 8.360 8.360 7.954 0.406 17884
285 1 8 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.422 -0.382 17884
286 1 8 . 1 1 3 3 GLU H H 3 8.289 8.289 8.764 -0.475 17884
287 1 8 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.316 0.049 17884
288 1 8 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.178 -0.681 17884
289 1 8 . 1 1 4 4 PHE H H 4 8.238 8.238 7.330 0.908 17884
290 1 8 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.727 -1.383 17884
291 1 8 . 1 1 5 5 GLY H H 5 8.353 8.353 7.563 0.790 17884
292 1 8 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.126 0.304 17884
293 1 8 . 1 1 6 6 HIS H H 6 8.090 8.090 7.193 0.897 17884
294 1 8 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.093 0.391 17884
295 1 8 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.842 -0.525 17884
296 1 8 . 1 1 7 7 ASP H H 7 8.425 8.425 7.229 1.196 17884
297 1 8 . 1 1 8 8 SER HA H 8 4.188 4.188 4.079 0.109 17884
298 1 8 . 1 1 8 8 SER CA C 8 57.528 57.528 60.044 -2.516 17884
299 1 8 . 1 1 8 8 SER CB C 8 61.930 61.930 62.871 -0.941 17884
300 1 8 . 1 1 8 8 SER H H 8 8.353 8.353 8.532 -0.179 17884
301 1 8 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.864 -1.347 17884
302 1 8 . 1 1 9 9 GLY H H 9 8.420 8.420 8.165 0.255 17884
303 1 8 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.790 -0.400 17884
304 1 8 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.365 -1.813 17884
305 1 8 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.964 -1.174 17884
306 1 8 . 1 1 10 10 PHE H H 10 7.964 7.964 6.926 1.038 17884
307 1 8 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.397 -0.286 17884
308 1 8 . 1 1 11 11 GLU H H 11 8.353 8.353 7.942 0.411 17884
309 1 8 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.835 -0.004 17884
310 1 8 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.918 -1.411 17884
311 1 8 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.114 -1.435 17884
312 1 8 . 1 1 12 12 VAL H H 12 8.152 8.152 8.172 -0.020 17884
313 1 8 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.156 -0.063 17884
314 1 8 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.945 -0.313 17884
315 1 8 . 1 1 13 13 ARG H H 13 8.158 8.158 8.444 -0.286 17884
316 1 8 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.373 0.158 17884
317 1 8 . 1 1 14 14 HIS H H 14 8.287 8.287 8.521 -0.234 17884
318 1 8 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.429 -0.271 17884
319 1 8 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.928 -0.918 17884
320 1 8 . 1 1 15 15 GLN H H 15 8.286 8.286 8.292 -0.006 17884
321 1 9 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.888 0.209 17884
322 1 9 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.007 -1.069 17884
323 1 9 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.360 -2.091 17884
324 1 9 . 1 1 2 2 ALA H H 2 8.360 8.360 8.233 0.127 17884
325 1 9 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.281 -0.241 17884
326 1 9 . 1 1 3 3 GLU H H 3 8.289 8.289 8.865 -0.576 17884
327 1 9 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.372 -0.007 17884
328 1 9 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.970 -0.473 17884
329 1 9 . 1 1 4 4 PHE H H 4 8.238 8.238 7.820 0.418 17884
330 1 9 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.197 -1.853 17884
331 1 9 . 1 1 5 5 GLY H H 5 8.353 8.353 7.177 1.176 17884
332 1 9 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.049 0.381 17884
333 1 9 . 1 1 6 6 HIS H H 6 8.090 8.090 7.596 0.494 17884
334 1 9 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.395 0.089 17884
335 1 9 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.771 -3.454 17884
336 1 9 . 1 1 7 7 ASP H H 7 8.425 8.425 7.865 0.560 17884
337 1 9 . 1 1 8 8 SER HA H 8 4.188 4.188 4.226 -0.038 17884
338 1 9 . 1 1 8 8 SER CA C 8 57.528 57.528 57.464 0.064 17884
339 1 9 . 1 1 8 8 SER CB C 8 61.930 61.930 65.010 -3.080 17884
340 1 9 . 1 1 8 8 SER H H 8 8.353 8.353 6.964 1.389 17884
341 1 9 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.678 -2.161 17884
342 1 9 . 1 1 9 9 GLY H H 9 8.420 8.420 7.841 0.579 17884
343 1 9 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.730 -0.340 17884
344 1 9 . 1 1 10 10 PHE CA C 10 56.552 56.552 59.076 -2.524 17884
345 1 9 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.647 -1.857 17884
346 1 9 . 1 1 10 10 PHE H H 10 7.964 7.964 7.297 0.667 17884
347 1 9 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.387 -0.276 17884
348 1 9 . 1 1 11 11 GLU H H 11 8.353 8.353 7.711 0.642 17884
349 1 9 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.881 -0.050 17884
350 1 9 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.393 -1.886 17884
351 1 9 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.048 -1.369 17884
352 1 9 . 1 1 12 12 VAL H H 12 8.152 8.152 8.046 0.106 17884
353 1 9 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.279 -0.186 17884
354 1 9 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.752 -0.120 17884
355 1 9 . 1 1 13 13 ARG H H 13 8.158 8.158 8.261 -0.103 17884
356 1 9 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.301 0.230 17884
357 1 9 . 1 1 14 14 HIS H H 14 8.287 8.287 8.681 -0.394 17884
358 1 9 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.404 -0.246 17884
359 1 9 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.600 -1.590 17884
360 1 9 . 1 1 15 15 GLN H H 15 8.286 8.286 8.950 -0.664 17884
361 1 10 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.467 0.630 17884
362 1 10 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.863 -0.925 17884
363 1 10 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.465 -2.196 17884
364 1 10 . 1 1 2 2 ALA H H 2 8.360 8.360 7.923 0.437 17884
365 1 10 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.345 -0.305 17884
366 1 10 . 1 1 3 3 GLU H H 3 8.289 8.289 8.666 -0.377 17884
367 1 10 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.445 -0.080 17884
368 1 10 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.396 -0.899 17884
369 1 10 . 1 1 4 4 PHE H H 4 8.238 8.238 7.445 0.793 17884
370 1 10 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.236 -1.891 17884
371 1 10 . 1 1 5 5 GLY H H 5 8.353 8.353 7.771 0.582 17884
372 1 10 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.524 -0.094 17884
373 1 10 . 1 1 6 6 HIS H H 6 8.090 8.090 7.446 0.644 17884
374 1 10 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.325 0.159 17884
375 1 10 . 1 1 7 7 ASP CA C 7 52.317 52.317 51.713 0.604 17884
376 1 10 . 1 1 7 7 ASP H H 7 8.425 8.425 7.338 1.087 17884
377 1 10 . 1 1 8 8 SER HA H 8 4.188 4.188 3.990 0.198 17884
378 1 10 . 1 1 8 8 SER CA C 8 57.528 57.528 60.225 -2.697 17884
379 1 10 . 1 1 8 8 SER CB C 8 61.930 61.930 63.302 -1.372 17884
380 1 10 . 1 1 8 8 SER H H 8 8.353 8.353 8.163 0.190 17884
381 1 10 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.434 -1.917 17884
382 1 10 . 1 1 9 9 GLY H H 9 8.420 8.420 8.032 0.388 17884
383 1 10 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.500 -0.110 17884
384 1 10 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.424 -1.872 17884
385 1 10 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.179 -1.389 17884
386 1 10 . 1 1 10 10 PHE H H 10 7.964 7.964 7.456 0.508 17884
387 1 10 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.380 -0.269 17884
388 1 10 . 1 1 11 11 GLU H H 11 8.353 8.353 7.843 0.510 17884
389 1 10 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.854 -0.023 17884
390 1 10 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.921 -1.414 17884
391 1 10 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.107 -1.428 17884
392 1 10 . 1 1 12 12 VAL H H 12 8.152 8.152 8.279 -0.127 17884
393 1 10 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.285 -0.192 17884
394 1 10 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.134 0.498 17884
395 1 10 . 1 1 13 13 ARG H H 13 8.158 8.158 8.324 -0.166 17884
396 1 10 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.326 0.205 17884
397 1 10 . 1 1 14 14 HIS H H 14 8.287 8.287 8.573 -0.286 17884
398 1 10 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.423 -0.265 17884
399 1 10 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.616 -1.606 17884
400 1 10 . 1 1 15 15 GLN H H 15 8.286 8.286 8.600 -0.314 17884
401 1 11 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.190 0.907 17884
402 1 11 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.625 -1.687 17884
403 1 11 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.592 -0.323 17884
404 1 11 . 1 1 2 2 ALA H H 2 8.360 8.360 8.170 0.190 17884
405 1 11 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.991 0.049 17884
406 1 11 . 1 1 3 3 GLU H H 3 8.289 8.289 8.453 -0.164 17884
407 1 11 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.342 0.023 17884
408 1 11 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.874 -0.377 17884
409 1 11 . 1 1 4 4 PHE H H 4 8.238 8.238 7.410 0.828 17884
410 1 11 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.958 -1.614 17884
411 1 11 . 1 1 5 5 GLY H H 5 8.353 8.353 7.739 0.614 17884
412 1 11 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.482 -0.052 17884
413 1 11 . 1 1 6 6 HIS H H 6 8.090 8.090 7.406 0.684 17884
414 1 11 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.318 0.166 17884
415 1 11 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.013 0.304 17884
416 1 11 . 1 1 7 7 ASP H H 7 8.425 8.425 7.441 0.984 17884
417 1 11 . 1 1 8 8 SER HA H 8 4.188 4.188 4.366 -0.178 17884
418 1 11 . 1 1 8 8 SER CA C 8 57.528 57.528 57.930 -0.402 17884
419 1 11 . 1 1 8 8 SER CB C 8 61.930 61.930 64.764 -2.834 17884
420 1 11 . 1 1 8 8 SER H H 8 8.353 8.353 8.015 0.338 17884
421 1 11 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.774 -2.257 17884
422 1 11 . 1 1 9 9 GLY H H 9 8.420 8.420 7.576 0.844 17884
423 1 11 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.541 -0.151 17884
424 1 11 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.399 -1.847 17884
425 1 11 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.099 -0.309 17884
426 1 11 . 1 1 10 10 PHE H H 10 7.964 7.964 7.263 0.701 17884
427 1 11 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.330 -0.219 17884
428 1 11 . 1 1 11 11 GLU H H 11 8.353 8.353 7.551 0.802 17884
429 1 11 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.993 -0.162 17884
430 1 11 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.642 -1.135 17884
431 1 11 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.519 -1.840 17884
432 1 11 . 1 1 12 12 VAL H H 12 8.152 8.152 8.114 0.038 17884
433 1 11 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.611 -0.518 17884
434 1 11 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.078 -0.446 17884
435 1 11 . 1 1 13 13 ARG H H 13 8.158 8.158 8.299 -0.141 17884
436 1 11 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.317 0.214 17884
437 1 11 . 1 1 14 14 HIS H H 14 8.287 8.287 8.687 -0.400 17884
438 1 11 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.498 -0.340 17884
439 1 11 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.083 -1.073 17884
440 1 11 . 1 1 15 15 GLN H H 15 8.286 8.286 8.700 -0.414 17884
441 1 12 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.810 0.287 17884
442 1 12 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.695 -1.757 17884
443 1 12 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.721 -2.453 17884
444 1 12 . 1 1 2 2 ALA H H 2 8.360 8.360 8.319 0.041 17884
445 1 12 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.233 -0.193 17884
446 1 12 . 1 1 3 3 GLU H H 3 8.289 8.289 8.196 0.093 17884
447 1 12 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.344 0.021 17884
448 1 12 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.236 -0.739 17884
449 1 12 . 1 1 4 4 PHE H H 4 8.238 8.238 7.437 0.801 17884
450 1 12 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.891 -1.547 17884
451 1 12 . 1 1 5 5 GLY H H 5 8.353 8.353 7.104 1.249 17884
452 1 12 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.300 0.130 17884
453 1 12 . 1 1 6 6 HIS H H 6 8.090 8.090 7.204 0.886 17884
454 1 12 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.545 -0.061 17884
455 1 12 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.973 -1.656 17884
456 1 12 . 1 1 7 7 ASP H H 7 8.425 8.425 8.231 0.194 17884
457 1 12 . 1 1 8 8 SER HA H 8 4.188 4.188 4.253 -0.065 17884
458 1 12 . 1 1 8 8 SER CA C 8 57.528 57.528 57.897 -0.369 17884
459 1 12 . 1 1 8 8 SER CB C 8 61.930 61.930 63.459 -1.529 17884
460 1 12 . 1 1 8 8 SER H H 8 8.353 8.353 6.544 1.809 17884
461 1 12 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.742 -2.225 17884
462 1 12 . 1 1 9 9 GLY H H 9 8.420 8.420 7.813 0.607 17884
463 1 12 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.997 -0.607 17884
464 1 12 . 1 1 10 10 PHE CA C 10 56.552 56.552 57.676 -1.124 17884
465 1 12 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.992 -2.203 17884
466 1 12 . 1 1 10 10 PHE H H 10 7.964 7.964 6.804 1.160 17884
467 1 12 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.363 -0.252 17884
468 1 12 . 1 1 11 11 GLU H H 11 8.353 8.353 7.817 0.536 17884
469 1 12 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.054 -0.223 17884
470 1 12 . 1 1 12 12 VAL CA C 12 61.507 61.507 61.814 -0.307 17884
471 1 12 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.825 -2.146 17884
472 1 12 . 1 1 12 12 VAL H H 12 8.152 8.152 7.818 0.334 17884
473 1 12 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.256 -0.163 17884
474 1 12 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.390 -1.758 17884
475 1 12 . 1 1 13 13 ARG H H 13 8.158 8.158 8.745 -0.587 17884
476 1 12 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.432 0.099 17884
477 1 12 . 1 1 14 14 HIS H H 14 8.287 8.287 7.610 0.677 17884
478 1 12 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.317 -0.159 17884
479 1 12 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.222 -2.212 17884
480 1 12 . 1 1 15 15 GLN H H 15 8.286 8.286 8.837 -0.551 17884
481 1 13 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.280 0.817 17884
482 1 13 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.502 -1.564 17884
483 1 13 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.743 -2.474 17884
484 1 13 . 1 1 2 2 ALA H H 2 8.360 8.360 8.082 0.278 17884
485 1 13 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.180 -0.140 17884
486 1 13 . 1 1 3 3 GLU H H 3 8.289 8.289 8.248 0.041 17884
487 1 13 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.275 0.090 17884
488 1 13 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.739 -0.242 17884
489 1 13 . 1 1 4 4 PHE H H 4 8.238 8.238 7.366 0.872 17884
490 1 13 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.770 -1.426 17884
491 1 13 . 1 1 5 5 GLY H H 5 8.353 8.353 7.502 0.851 17884
492 1 13 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.686 0.744 17884
493 1 13 . 1 1 6 6 HIS H H 6 8.090 8.090 7.648 0.442 17884
494 1 13 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.310 0.174 17884
495 1 13 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.417 -4.100 17884
496 1 13 . 1 1 7 7 ASP H H 7 8.425 8.425 7.740 0.685 17884
497 1 13 . 1 1 8 8 SER HA H 8 4.188 4.188 3.911 0.277 17884
498 1 13 . 1 1 8 8 SER CA C 8 57.528 57.528 57.793 -0.265 17884
499 1 13 . 1 1 8 8 SER CB C 8 61.930 61.930 64.233 -2.303 17884
500 1 13 . 1 1 8 8 SER H H 8 8.353 8.353 7.688 0.665 17884
501 1 13 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.798 -1.282 17884
502 1 13 . 1 1 9 9 GLY H H 9 8.420 8.420 8.411 0.009 17884
503 1 13 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.397 -0.007 17884
504 1 13 . 1 1 10 10 PHE CA C 10 56.552 56.552 60.010 -3.458 17884
505 1 13 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.658 -0.868 17884
506 1 13 . 1 1 10 10 PHE H H 10 7.964 7.964 7.513 0.451 17884
507 1 13 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.298 -0.187 17884
508 1 13 . 1 1 11 11 GLU H H 11 8.353 8.353 7.545 0.808 17884
509 1 13 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.932 -0.101 17884
510 1 13 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.197 -0.690 17884
511 1 13 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.507 -1.828 17884
512 1 13 . 1 1 12 12 VAL H H 12 8.152 8.152 8.023 0.129 17884
513 1 13 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.510 -0.417 17884
514 1 13 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.268 -0.636 17884
515 1 13 . 1 1 13 13 ARG H H 13 8.158 8.158 8.350 -0.192 17884
516 1 13 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.392 0.139 17884
517 1 13 . 1 1 14 14 HIS H H 14 8.287 8.287 8.605 -0.318 17884
518 1 13 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.638 -0.480 17884
519 1 13 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.892 -0.883 17884
520 1 13 . 1 1 15 15 GLN H H 15 8.286 8.286 8.880 -0.594 17884
521 1 14 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.357 0.740 17884
522 1 14 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.514 -1.576 17884
523 1 14 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.818 -0.549 17884
524 1 14 . 1 1 2 2 ALA H H 2 8.360 8.360 8.572 -0.212 17884
525 1 14 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.258 -0.218 17884
526 1 14 . 1 1 3 3 GLU H H 3 8.289 8.289 8.645 -0.356 17884
527 1 14 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.339 0.026 17884
528 1 14 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.025 -0.528 17884
529 1 14 . 1 1 4 4 PHE H H 4 8.238 8.238 7.907 0.332 17884
530 1 14 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.717 -1.373 17884
531 1 14 . 1 1 5 5 GLY H H 5 8.353 8.353 7.300 1.053 17884
532 1 14 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.801 -0.371 17884
533 1 14 . 1 1 6 6 HIS H H 6 8.090 8.090 7.351 0.739 17884
534 1 14 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.364 0.120 17884
535 1 14 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.071 -2.754 17884
536 1 14 . 1 1 7 7 ASP H H 7 8.425 8.425 8.075 0.350 17884
537 1 14 . 1 1 8 8 SER HA H 8 4.188 4.188 4.400 -0.212 17884
538 1 14 . 1 1 8 8 SER CA C 8 57.528 57.528 58.344 -0.816 17884
539 1 14 . 1 1 8 8 SER CB C 8 61.930 61.930 66.005 -4.075 17884
540 1 14 . 1 1 8 8 SER H H 8 8.353 8.353 7.771 0.582 17884
541 1 14 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.247 -1.730 17884
542 1 14 . 1 1 9 9 GLY H H 9 8.420 8.420 8.001 0.419 17884
543 1 14 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.250 0.140 17884
544 1 14 . 1 1 10 10 PHE CA C 10 56.552 56.552 60.150 -3.598 17884
545 1 14 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.782 -0.992 17884
546 1 14 . 1 1 10 10 PHE H H 10 7.964 7.964 7.400 0.564 17884
547 1 14 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.268 -0.157 17884
548 1 14 . 1 1 11 11 GLU H H 11 8.353 8.353 7.410 0.943 17884
549 1 14 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.776 0.055 17884
550 1 14 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.269 -1.762 17884
551 1 14 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.473 -1.794 17884
552 1 14 . 1 1 12 12 VAL H H 12 8.152 8.152 7.817 0.335 17884
553 1 14 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.203 -0.110 17884
554 1 14 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.952 -2.320 17884
555 1 14 . 1 1 13 13 ARG H H 13 8.158 8.158 8.609 -0.451 17884
556 1 14 . 1 1 14 14 HIS HA H 14 4.531 4.531 5.011 -0.480 17884
557 1 14 . 1 1 14 14 HIS H H 14 8.287 8.287 7.840 0.447 17884
558 1 14 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.428 -0.270 17884
559 1 14 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.799 -0.789 17884
560 1 14 . 1 1 15 15 GLN H H 15 8.286 8.286 8.436 -0.150 17884
561 1 15 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.455 -0.358 17884
562 1 15 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.946 -2.008 17884
563 1 15 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.003 -2.734 17884
564 1 15 . 1 1 2 2 ALA H H 2 8.360 8.360 8.488 -0.128 17884
565 1 15 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.168 -0.128 17884
566 1 15 . 1 1 3 3 GLU H H 3 8.289 8.289 8.848 -0.559 17884
567 1 15 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.351 0.014 17884
568 1 15 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.599 -1.102 17884
569 1 15 . 1 1 4 4 PHE H H 4 8.238 8.238 7.843 0.395 17884
570 1 15 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.787 -1.443 17884
571 1 15 . 1 1 5 5 GLY H H 5 8.353 8.353 6.627 1.726 17884
572 1 15 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.294 0.136 17884
573 1 15 . 1 1 6 6 HIS H H 6 8.090 8.090 7.375 0.715 17884
574 1 15 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.371 0.113 17884
575 1 15 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.867 -0.550 17884
576 1 15 . 1 1 7 7 ASP H H 7 8.425 8.425 7.398 1.027 17884
577 1 15 . 1 1 8 8 SER HA H 8 4.188 4.188 3.709 0.479 17884
578 1 15 . 1 1 8 8 SER CA C 8 57.528 57.528 58.036 -0.508 17884
579 1 15 . 1 1 8 8 SER CB C 8 61.930 61.930 62.660 -0.730 17884
580 1 15 . 1 1 8 8 SER H H 8 8.353 8.353 7.974 0.379 17884
581 1 15 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.214 -0.697 17884
582 1 15 . 1 1 9 9 GLY H H 9 8.420 8.420 7.407 1.013 17884
583 1 15 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.721 -0.331 17884
584 1 15 . 1 1 10 10 PHE CA C 10 56.552 56.552 56.834 -0.282 17884
585 1 15 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.543 -0.753 17884
586 1 15 . 1 1 10 10 PHE H H 10 7.964 7.964 7.028 0.936 17884
587 1 15 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.409 -0.298 17884
588 1 15 . 1 1 11 11 GLU H H 11 8.353 8.353 8.108 0.245 17884
589 1 15 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.964 -0.133 17884
590 1 15 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.336 -0.829 17884
591 1 15 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.864 -2.186 17884
592 1 15 . 1 1 12 12 VAL H H 12 8.152 8.152 8.215 -0.063 17884
593 1 15 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.261 -0.168 17884
594 1 15 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.214 -1.582 17884
595 1 15 . 1 1 13 13 ARG H H 13 8.158 8.158 8.268 -0.110 17884
596 1 15 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.339 0.192 17884
597 1 15 . 1 1 14 14 HIS H H 14 8.287 8.287 8.882 -0.595 17884
598 1 15 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.144 0.014 17884
599 1 15 . 1 1 15 15 GLN CA C 15 54.010 54.010 57.485 -3.475 17884
600 1 15 . 1 1 15 15 GLN H H 15 8.286 8.286 8.087 0.199 17884
601 1 16 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.723 0.374 17884
602 1 16 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.872 -0.934 17884
603 1 16 . 1 1 2 2 ALA CB C 2 17.269 17.269 18.608 -1.339 17884
604 1 16 . 1 1 2 2 ALA H H 2 8.360 8.360 8.002 0.358 17884
605 1 16 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.895 0.145 17884
606 1 16 . 1 1 3 3 GLU H H 3 8.289 8.289 8.658 -0.369 17884
607 1 16 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.327 0.038 17884
608 1 16 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.232 -0.735 17884
609 1 16 . 1 1 4 4 PHE H H 4 8.238 8.238 7.575 0.663 17884
610 1 16 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.802 -1.458 17884
611 1 16 . 1 1 5 5 GLY H H 5 8.353 8.353 7.625 0.728 17884
612 1 16 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.404 0.026 17884
613 1 16 . 1 1 6 6 HIS H H 6 8.090 8.090 7.581 0.509 17884
614 1 16 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.184 0.300 17884
615 1 16 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.015 0.302 17884
616 1 16 . 1 1 7 7 ASP H H 7 8.425 8.425 6.773 1.652 17884
617 1 16 . 1 1 8 8 SER HA H 8 4.188 4.188 4.363 -0.175 17884
618 1 16 . 1 1 8 8 SER CA C 8 57.528 57.528 57.762 -0.234 17884
619 1 16 . 1 1 8 8 SER CB C 8 61.930 61.930 64.137 -2.207 17884
620 1 16 . 1 1 8 8 SER H H 8 8.353 8.353 7.960 0.393 17884
621 1 16 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.404 -1.887 17884
622 1 16 . 1 1 9 9 GLY H H 9 8.420 8.420 7.670 0.750 17884
623 1 16 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.833 -0.443 17884
624 1 16 . 1 1 10 10 PHE CA C 10 56.552 56.552 56.697 -0.145 17884
625 1 16 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.589 -0.799 17884
626 1 16 . 1 1 10 10 PHE H H 10 7.964 7.964 7.005 0.959 17884
627 1 16 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.332 -0.221 17884
628 1 16 . 1 1 11 11 GLU H H 11 8.353 8.353 8.036 0.317 17884
629 1 16 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.900 -0.069 17884
630 1 16 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.943 -2.436 17884
631 1 16 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.254 -1.575 17884
632 1 16 . 1 1 12 12 VAL H H 12 8.152 8.152 8.310 -0.158 17884
633 1 16 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.357 -0.264 17884
634 1 16 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.644 -2.012 17884
635 1 16 . 1 1 13 13 ARG H H 13 8.158 8.158 8.504 -0.346 17884
636 1 16 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.711 -0.180 17884
637 1 16 . 1 1 14 14 HIS H H 14 8.287 8.287 8.248 0.039 17884
638 1 16 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.699 -0.541 17884
639 1 16 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.191 -1.181 17884
640 1 16 . 1 1 15 15 GLN H H 15 8.286 8.286 8.391 -0.105 17884
641 1 17 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.215 -0.118 17884
642 1 17 . 1 1 2 2 ALA CA C 2 50.938 50.938 53.066 -2.128 17884
643 1 17 . 1 1 2 2 ALA CB C 2 17.269 17.269 18.172 -0.903 17884
644 1 17 . 1 1 2 2 ALA H H 2 8.360 8.360 8.587 -0.227 17884
645 1 17 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.079 -0.039 17884
646 1 17 . 1 1 3 3 GLU H H 3 8.289 8.289 8.908 -0.619 17884
647 1 17 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.310 0.055 17884
648 1 17 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.264 -0.767 17884
649 1 17 . 1 1 4 4 PHE H H 4 8.238 8.238 8.160 0.078 17884
650 1 17 . 1 1 5 5 GLY CA C 5 43.344 43.344 43.871 -0.527 17884
651 1 17 . 1 1 5 5 GLY H H 5 8.353 8.353 7.130 1.223 17884
652 1 17 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.784 0.646 17884
653 1 17 . 1 1 6 6 HIS H H 6 8.090 8.090 7.167 0.923 17884
654 1 17 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.335 0.149 17884
655 1 17 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.010 -0.693 17884
656 1 17 . 1 1 7 7 ASP H H 7 8.425 8.425 7.247 1.178 17884
657 1 17 . 1 1 8 8 SER HA H 8 4.188 4.188 3.651 0.537 17884
658 1 17 . 1 1 8 8 SER CA C 8 57.528 57.528 59.379 -1.851 17884
659 1 17 . 1 1 8 8 SER CB C 8 61.930 61.930 62.492 -0.562 17884
660 1 17 . 1 1 8 8 SER H H 8 8.353 8.353 8.130 0.223 17884
661 1 17 . 1 1 9 9 GLY CA C 9 43.517 43.517 46.240 -2.723 17884
662 1 17 . 1 1 9 9 GLY H H 9 8.420 8.420 7.923 0.497 17884
663 1 17 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.743 -0.353 17884
664 1 17 . 1 1 10 10 PHE CA C 10 56.552 56.552 55.688 0.864 17884
665 1 17 . 1 1 10 10 PHE CB C 10 37.790 37.790 37.853 -0.063 17884
666 1 17 . 1 1 10 10 PHE H H 10 7.964 7.964 7.694 0.270 17884
667 1 17 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.349 -0.238 17884
668 1 17 . 1 1 11 11 GLU H H 11 8.353 8.353 7.987 0.366 17884
669 1 17 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.968 -0.137 17884
670 1 17 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.922 -2.416 17884
671 1 17 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.676 -1.997 17884
672 1 17 . 1 1 12 12 VAL H H 12 8.152 8.152 8.439 -0.287 17884
673 1 17 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.436 -0.343 17884
674 1 17 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.034 -1.402 17884
675 1 17 . 1 1 13 13 ARG H H 13 8.158 8.158 8.621 -0.463 17884
676 1 17 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.713 -0.182 17884
677 1 17 . 1 1 14 14 HIS H H 14 8.287 8.287 8.055 0.232 17884
678 1 17 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.583 -0.425 17884
679 1 17 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.922 -0.912 17884
680 1 17 . 1 1 15 15 GLN H H 15 8.286 8.286 8.456 -0.170 17884
681 1 18 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.317 -0.220 17884
682 1 18 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.474 -1.536 17884
683 1 18 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.694 -2.425 17884
684 1 18 . 1 1 2 2 ALA H H 2 8.360 8.360 8.311 0.049 17884
685 1 18 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.246 -0.206 17884
686 1 18 . 1 1 3 3 GLU H H 3 8.289 8.289 9.039 -0.750 17884
687 1 18 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.295 0.070 17884
688 1 18 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.439 -0.942 17884
689 1 18 . 1 1 4 4 PHE H H 4 8.238 8.238 8.083 0.155 17884
690 1 18 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.328 -0.984 17884
691 1 18 . 1 1 5 5 GLY H H 5 8.353 8.353 6.785 1.568 17884
692 1 18 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.105 0.325 17884
693 1 18 . 1 1 6 6 HIS H H 6 8.090 8.090 7.619 0.471 17884
694 1 18 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.027 0.457 17884
695 1 18 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.788 -0.471 17884
696 1 18 . 1 1 7 7 ASP H H 7 8.425 8.425 6.786 1.639 17884
697 1 18 . 1 1 8 8 SER HA H 8 4.188 4.188 4.480 -0.292 17884
698 1 18 . 1 1 8 8 SER CA C 8 57.528 57.528 58.154 -0.626 17884
699 1 18 . 1 1 8 8 SER CB C 8 61.930 61.930 64.719 -2.789 17884
700 1 18 . 1 1 8 8 SER H H 8 8.353 8.353 7.951 0.402 17884
701 1 18 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.504 -1.987 17884
702 1 18 . 1 1 9 9 GLY H H 9 8.420 8.420 7.278 1.142 17884
703 1 18 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.488 -0.098 17884
704 1 18 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.813 -2.261 17884
705 1 18 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.579 -0.789 17884
706 1 18 . 1 1 10 10 PHE H H 10 7.964 7.964 6.995 0.969 17884
707 1 18 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.306 -0.195 17884
708 1 18 . 1 1 11 11 GLU H H 11 8.353 8.353 8.136 0.217 17884
709 1 18 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.984 -0.153 17884
710 1 18 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.147 -0.640 17884
711 1 18 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.176 -1.498 17884
712 1 18 . 1 1 12 12 VAL H H 12 8.152 8.152 8.186 -0.034 17884
713 1 18 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.470 -0.377 17884
714 1 18 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.282 0.350 17884
715 1 18 . 1 1 13 13 ARG H H 13 8.158 8.158 8.454 -0.296 17884
716 1 18 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.409 0.122 17884
717 1 18 . 1 1 14 14 HIS H H 14 8.287 8.287 8.549 -0.262 17884
718 1 18 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.509 -0.351 17884
719 1 18 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.355 -1.345 17884
720 1 18 . 1 1 15 15 GLN H H 15 8.286 8.286 8.662 -0.376 17884
721 1 19 . 1 1 2 2 ALA HA H 2 4.097 4.097 2.852 1.245 17884
722 1 19 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.254 -1.316 17884
723 1 19 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.686 -0.417 17884
724 1 19 . 1 1 2 2 ALA H H 2 8.360 8.360 7.938 0.422 17884
725 1 19 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.282 -0.242 17884
726 1 19 . 1 1 3 3 GLU H H 3 8.289 8.289 8.444 -0.155 17884
727 1 19 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.313 0.052 17884
728 1 19 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.762 -0.265 17884
729 1 19 . 1 1 4 4 PHE H H 4 8.238 8.238 7.651 0.587 17884
730 1 19 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.645 -1.301 17884
731 1 19 . 1 1 5 5 GLY H H 5 8.353 8.353 7.491 0.862 17884
732 1 19 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.582 -0.152 17884
733 1 19 . 1 1 6 6 HIS H H 6 8.090 8.090 7.350 0.740 17884
734 1 19 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.335 0.149 17884
735 1 19 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.383 -4.066 17884
736 1 19 . 1 1 7 7 ASP H H 7 8.425 8.425 8.402 0.023 17884
737 1 19 . 1 1 8 8 SER HA H 8 4.188 4.188 4.524 -0.336 17884
738 1 19 . 1 1 8 8 SER CA C 8 57.528 57.528 58.719 -1.191 17884
739 1 19 . 1 1 8 8 SER CB C 8 61.930 61.930 64.660 -2.730 17884
740 1 19 . 1 1 8 8 SER H H 8 8.353 8.353 7.558 0.795 17884
741 1 19 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.961 -2.444 17884
742 1 19 . 1 1 9 9 GLY H H 9 8.420 8.420 8.281 0.139 17884
743 1 19 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.632 -0.242 17884
744 1 19 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.217 -1.665 17884
745 1 19 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.850 -2.060 17884
746 1 19 . 1 1 10 10 PHE H H 10 7.964 7.964 7.104 0.861 17884
747 1 19 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.274 -0.163 17884
748 1 19 . 1 1 11 11 GLU H H 11 8.353 8.353 7.741 0.612 17884
749 1 19 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.824 0.007 17884
750 1 19 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.221 -1.714 17884
751 1 19 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.075 -1.396 17884
752 1 19 . 1 1 12 12 VAL H H 12 8.152 8.152 7.640 0.512 17884
753 1 19 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.374 -0.281 17884
754 1 19 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.820 -0.188 17884
755 1 19 . 1 1 13 13 ARG H H 13 8.158 8.158 8.047 0.111 17884
756 1 19 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.062 0.469 17884
757 1 19 . 1 1 14 14 HIS H H 14 8.287 8.287 9.061 -0.774 17884
758 1 19 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.497 -0.339 17884
759 1 19 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.101 -1.091 17884
760 1 19 . 1 1 15 15 GLN H H 15 8.286 8.286 8.178 0.108 17884
761 1 20 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.757 0.340 17884
762 1 20 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.093 -1.155 17884
763 1 20 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.266 -1.997 17884
764 1 20 . 1 1 2 2 ALA H H 2 8.360 8.360 8.134 0.226 17884
765 1 20 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.954 0.086 17884
766 1 20 . 1 1 3 3 GLU H H 3 8.289 8.289 8.680 -0.391 17884
767 1 20 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.323 0.042 17884
768 1 20 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.320 -0.823 17884
769 1 20 . 1 1 4 4 PHE H H 4 8.238 8.238 7.412 0.826 17884
770 1 20 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.556 -1.212 17884
771 1 20 . 1 1 5 5 GLY H H 5 8.353 8.353 7.300 1.053 17884
772 1 20 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.462 0.968 17884
773 1 20 . 1 1 6 6 HIS H H 6 8.090 8.090 7.263 0.827 17884
774 1 20 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.458 0.026 17884
775 1 20 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.249 -0.932 17884
776 1 20 . 1 1 7 7 ASP H H 7 8.425 8.425 7.493 0.932 17884
777 1 20 . 1 1 8 8 SER HA H 8 4.188 4.188 4.395 -0.207 17884
778 1 20 . 1 1 8 8 SER CA C 8 57.528 57.528 58.272 -0.744 17884
779 1 20 . 1 1 8 8 SER CB C 8 61.930 61.930 64.446 -2.516 17884
780 1 20 . 1 1 8 8 SER H H 8 8.353 8.353 7.938 0.415 17884
781 1 20 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.786 -2.269 17884
782 1 20 . 1 1 9 9 GLY H H 9 8.420 8.420 8.284 0.136 17884
783 1 20 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.987 -0.597 17884
784 1 20 . 1 1 10 10 PHE CA C 10 56.552 56.552 55.796 0.756 17884
785 1 20 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.489 -1.698 17884
786 1 20 . 1 1 10 10 PHE H H 10 7.964 7.964 6.800 1.164 17884
787 1 20 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.320 -0.209 17884
788 1 20 . 1 1 11 11 GLU H H 11 8.353 8.353 7.981 0.372 17884
789 1 20 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.806 0.025 17884
790 1 20 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.397 -1.889 17884
791 1 20 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.952 -1.273 17884
792 1 20 . 1 1 12 12 VAL H H 12 8.152 8.152 8.105 0.047 17884
793 1 20 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.577 -0.484 17884
794 1 20 . 1 1 13 13 ARG CA C 13 54.632 54.632 53.965 0.666 17884
795 1 20 . 1 1 13 13 ARG H H 13 8.158 8.158 8.229 -0.071 17884
796 1 20 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.470 0.061 17884
797 1 20 . 1 1 14 14 HIS H H 14 8.287 8.287 8.505 -0.218 17884
798 1 20 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.233 -0.075 17884
799 1 20 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.674 -2.664 17884
800 1 20 . 1 1 15 15 GLN H H 15 8.286 8.286 8.277 0.009 17884
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 17884
2 1 1 "Average Difference" HA 16 0.267 0.136 0.237 17884
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17884
4 1 1 "Average Difference" CA 9 1.778 1.468 1.064 17884
5 1 1 "Average Difference" CB 5 2.185 1.893 1.220 17884
6 1 1 "Average Difference" HN 14 0.581 -0.257 0.541 17884
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17884
8 1 2 "Average Difference" HA 16 0.337 0.177 0.297 17884
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17884
10 1 2 "Average Difference" CA 9 1.382 1.020 0.990 17884
11 1 2 "Average Difference" CB 5 1.793 1.609 0.883 17884
12 1 2 "Average Difference" HN 14 0.560 -0.305 0.487 17884
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17884
14 1 3 "Average Difference" HA 16 0.332 0.115 0.321 17884
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17884
16 1 3 "Average Difference" CA 9 1.558 1.269 0.959 17884
17 1 3 "Average Difference" CB 5 1.410 1.370 0.375 17884
18 1 3 "Average Difference" HN 14 0.581 -0.282 0.527 17884
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17884
20 1 4 "Average Difference" HA 16 0.315 0.045 0.322 17884
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17884
22 1 4 "Average Difference" CA 9 2.099 1.793 1.159 17884
23 1 4 "Average Difference" CB 5 1.797 1.616 0.880 17884
24 1 4 "Average Difference" HN 14 0.583 -0.312 0.511 17884
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17884
26 1 5 "Average Difference" HA 16 0.331 0.130 0.315 17884
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17884
28 1 5 "Average Difference" CA 9 1.591 1.419 0.765 17884
29 1 5 "Average Difference" CB 5 1.741 1.661 0.583 17884
30 1 5 "Average Difference" HN 14 0.670 -0.336 0.601 17884
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17884
32 1 6 "Average Difference" HA 16 0.419 -0.004 0.433 17884
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17884
34 1 6 "Average Difference" CA 9 1.790 1.480 1.068 17884
35 1 6 "Average Difference" CB 5 1.288 1.059 0.819 17884
36 1 6 "Average Difference" HN 14 0.572 -0.291 0.511 17884
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17884
38 1 7 "Average Difference" HA 16 0.335 0.157 0.306 17884
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17884
40 1 7 "Average Difference" CA 9 1.485 1.388 0.562 17884
41 1 7 "Average Difference" CB 5 1.776 1.616 0.824 17884
42 1 7 "Average Difference" HN 14 0.655 -0.322 0.592 17884
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17884
44 1 8 "Average Difference" HA 16 0.340 0.081 0.341 17884
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17884
46 1 8 "Average Difference" CA 9 1.394 1.244 0.667 17884
47 1 8 "Average Difference" CB 5 1.415 1.303 0.616 17884
48 1 8 "Average Difference" HN 14 0.630 -0.336 0.553 17884
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17884
50 1 9 "Average Difference" HA 16 0.252 0.103 0.238 17884
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17884
52 1 9 "Average Difference" CA 9 1.934 1.621 1.118 17884
53 1 9 "Average Difference" CB 5 1.970 1.774 0.958 17884
54 1 9 "Average Difference" HN 14 0.666 -0.316 0.608 17884
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17884
56 1 10 "Average Difference" HA 16 0.305 0.090 0.301 17884
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17884
58 1 10 "Average Difference" CA 9 1.636 1.247 1.123 17884
59 1 10 "Average Difference" CB 5 1.515 1.457 0.466 17884
60 1 10 "Average Difference" HN 14 0.523 -0.276 0.460 17884
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17884
62 1 11 "Average Difference" HA 16 0.369 0.072 0.374 17884
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17884
64 1 11 "Average Difference" CA 9 1.368 1.129 0.820 17884
65 1 11 "Average Difference" CB 5 1.534 1.137 1.151 17884
66 1 11 "Average Difference" HN 14 0.590 -0.350 0.493 17884
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17884
68 1 12 "Average Difference" HA 16 0.268 0.157 0.224 17884
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17884
70 1 12 "Average Difference" CA 9 1.586 1.439 0.707 17884
71 1 12 "Average Difference" CB 5 1.916 1.814 0.690 17884
72 1 12 "Average Difference" HN 14 0.825 -0.518 0.666 17884
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17884
74 1 13 "Average Difference" HA 16 0.380 0.020 0.392 17884
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17884
76 1 13 "Average Difference" CA 9 2.017 1.589 1.318 17884
77 1 13 "Average Difference" CB 5 1.765 1.543 0.958 17884
78 1 13 "Average Difference" HN 14 0.537 -0.295 0.466 17884
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17884
80 1 14 "Average Difference" HA 16 0.312 0.094 0.307 17884
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17884
82 1 14 "Average Difference" CA 9 2.046 1.858 0.909 17884
83 1 14 "Average Difference" CB 5 2.068 1.588 1.482 17884
84 1 14 "Average Difference" HN 14 0.555 -0.328 0.465 17884
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17884
86 1 15 "Average Difference" HA 16 0.221 0.065 0.218 17884
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17884
88 1 15 "Average Difference" CA 9 1.581 1.264 1.008 17884
89 1 15 "Average Difference" CB 5 1.707 1.501 0.909 17884
90 1 15 "Average Difference" HN 14 0.734 -0.370 0.658 17884
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17884
92 1 16 "Average Difference" HA 16 0.303 0.110 0.291 17884
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17884
94 1 16 "Average Difference" CA 9 1.418 1.109 0.937 17884
95 1 16 "Average Difference" CB 5 1.437 1.331 0.605 17884
96 1 16 "Average Difference" HN 14 0.661 -0.385 0.557 17884
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17884
98 1 17 "Average Difference" HA 16 0.296 0.043 0.303 17884
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17884
100 1 17 "Average Difference" CA 9 1.684 1.310 1.122 17884
101 1 17 "Average Difference" CB 5 1.069 0.858 0.712 17884
102 1 17 "Average Difference" HN 14 0.601 -0.230 0.576 17884
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17884
104 1 18 "Average Difference" HA 16 0.258 0.091 0.249 17884
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17884
106 1 18 "Average Difference" CA 9 1.306 1.056 0.815 17884
107 1 18 "Average Difference" CB 5 1.866 1.689 0.888 17884
108 1 18 "Average Difference" HN 14 0.789 -0.350 0.734 17884
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17884
110 1 19 "Average Difference" HA 16 0.401 0.041 0.412 17884
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17884
112 1 19 "Average Difference" CA 9 1.952 1.664 1.082 17884
113 1 19 "Average Difference" CB 5 1.667 1.374 1.055 17884
114 1 19 "Average Difference" HN 14 0.566 -0.346 0.465 17884
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17884
116 1 20 "Average Difference" HA 16 0.375 0.044 0.385 17884
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17884
118 1 20 "Average Difference" CA 9 1.530 1.049 1.181 17884
119 1 20 "Average Difference" CB 5 1.761 1.661 0.652 17884
120 1 20 "Average Difference" HN 14 0.614 -0.380 0.501 17884
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 17884
_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 ALA HA H 2 4.097 4.097 3.615 0.482 17884
2 1 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.395 -1.457 17884
3 1 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.128 -1.859 17884
4 1 . 1 1 2 2 ALA H H 2 8.360 8.360 8.203 0.158 17884
5 1 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.230 -0.190 17884
6 1 . 1 1 3 3 GLU H H 3 8.289 8.289 8.622 -0.333 17884
7 1 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.341 0.024 17884
8 1 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.129 -0.632 17884
9 1 . 1 1 4 4 PHE H H 4 8.238 8.238 7.636 0.602 17884
10 1 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.791 -1.446 17884
11 1 . 1 1 5 5 GLY H H 5 8.353 8.353 7.382 0.971 17884
12 1 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.223 0.207 17884
13 1 . 1 1 6 6 HIS H H 6 8.090 8.090 7.392 0.698 17884
14 1 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.336 0.148 17884
15 1 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.995 -1.678 17884
16 1 . 1 1 7 7 ASP H H 7 8.425 8.425 7.688 0.737 17884
17 1 . 1 1 8 8 SER HA H 8 4.188 4.188 4.186 0.002 17884
18 1 . 1 1 8 8 SER CA C 8 57.528 57.528 58.349 -0.821 17884
19 1 . 1 1 8 8 SER CB C 8 61.930 61.930 63.986 -2.056 17884
20 1 . 1 1 8 8 SER H H 8 8.353 8.353 7.601 0.752 17884
21 1 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.320 -1.803 17884
22 1 . 1 1 9 9 GLY H H 9 8.420 8.420 7.995 0.425 17884
23 1 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.678 -0.288 17884
24 1 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.142 -1.590 17884
25 1 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.050 -1.260 17884
26 1 . 1 1 10 10 PHE H H 10 7.964 7.964 7.239 0.725 17884
27 1 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.335 -0.224 17884
28 1 . 1 1 11 11 GLU H H 11 8.353 8.353 7.822 0.531 17884
29 1 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.897 -0.066 17884
30 1 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.820 -1.313 17884
31 1 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.335 -1.656 17884
32 1 . 1 1 12 12 VAL H H 12 8.152 8.152 8.039 0.113 17884
33 1 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.351 -0.258 17884
34 1 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.239 -0.607 17884
35 1 . 1 1 13 13 ARG H H 13 8.158 8.158 8.376 -0.218 17884
36 1 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.413 0.118 17884
37 1 . 1 1 14 14 HIS H H 14 8.287 8.287 8.508 -0.221 17884
38 1 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.413 -0.255 17884
39 1 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.631 -1.621 17884
40 1 . 1 1 15 15 GLN H H 15 8.286 8.286 8.614 -0.328 17884
stop_
save_