data_18289
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18289
_Entry.PDB_ID 2LQ2
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 18289
_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 LYS HA H 2 4.088 4.088 4.349 -0.261 18289
2 1 1 . 1 1 2 2 LYS H H 2 8.573 8.573 8.687 -0.114 18289
3 1 1 . 1 1 3 3 GLY H H 3 8.410 8.410 8.421 -0.011 18289
4 1 1 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.175 -0.054 18289
5 1 1 . 1 1 4 4 ARG H H 4 8.040 8.040 7.796 0.244 18289
6 1 1 . 1 1 5 5 ILE HA H 5 4.083 4.083 3.982 0.101 18289
7 1 1 . 1 1 5 5 ILE H H 5 7.903 7.903 7.804 0.099 18289
8 1 1 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.292 0.115 18289
9 1 1 . 1 1 6 6 ASP H H 6 8.402 8.402 8.209 0.193 18289
10 1 1 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.404 -0.085 18289
11 1 1 . 1 1 7 7 ALA H H 7 8.013 8.013 7.806 0.207 18289
12 1 1 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.553 -0.206 18289
13 1 1 . 1 1 9 9 ASP H H 9 8.203 8.203 8.063 0.140 18289
14 1 1 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.352 0.284 18289
15 1 1 . 1 1 10 10 PHE H H 10 7.949 7.949 7.997 -0.048 18289
16 1 1 . 1 1 12 12 SER HA H 12 4.226 4.226 4.341 -0.115 18289
17 1 1 . 1 1 12 12 SER H H 12 8.255 8.255 7.712 0.543 18289
18 1 1 . 1 1 13 13 SER HA H 13 4.542 4.542 4.354 0.188 18289
19 1 1 . 1 1 13 13 SER H H 13 8.159 8.159 8.098 0.061 18289
20 1 1 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.203 -0.189 18289
21 1 1 . 1 1 15 15 ALA H H 15 8.166 8.166 7.439 0.727 18289
22 1 1 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.843 0.029 18289
23 1 1 . 1 1 16 16 ILE H H 16 7.965 7.965 8.522 -0.557 18289
24 1 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.110 -0.035 18289
25 1 1 . 1 1 17 17 LEU H H 17 8.181 8.181 8.264 -0.083 18289
26 1 1 . 1 1 18 18 GLY H H 18 8.215 8.215 7.746 0.469 18289
27 1 1 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.198 -0.120 18289
28 1 1 . 1 1 19 19 LYS H H 19 7.975 7.975 7.965 0.010 18289
29 1 1 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.213 -0.235 18289
30 1 1 . 1 1 20 20 ALA H H 20 8.210 8.210 7.946 0.264 18289
31 1 1 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.135 -0.234 18289
32 1 1 . 1 1 21 21 ALA H H 21 8.187 8.187 7.722 0.465 18289
33 1 1 . 1 1 22 22 THR HA H 22 4.529 4.529 4.159 0.370 18289
34 1 1 . 1 1 22 22 THR H H 22 8.406 8.406 7.647 0.759 18289
35 1 1 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.575 -0.105 18289
36 1 1 . 1 1 23 23 ASP H H 23 8.209 8.209 8.161 0.048 18289
37 1 1 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.842 -0.013 18289
38 1 1 . 1 1 24 24 VAL H H 24 7.900 7.900 7.661 0.239 18289
39 1 1 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.691 0.080 18289
40 1 1 . 1 1 25 25 VAL H H 25 8.047 8.047 7.425 0.622 18289
41 1 1 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.348 -0.388 18289
42 1 1 . 1 1 26 26 ALA H H 26 8.187 8.187 7.698 0.489 18289
43 1 1 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.176 -0.174 18289
44 1 1 . 1 1 27 27 ALA H H 27 8.052 8.052 8.130 -0.078 18289
45 1 1 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.379 -0.026 18289
46 1 1 . 1 1 28 28 TRP H H 28 7.869 7.869 7.902 -0.033 18289
47 1 1 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.208 -0.210 18289
48 1 1 . 1 1 29 29 LYS H H 29 7.684 7.684 7.817 -0.133 18289
49 1 2 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.363 -0.275 18289
50 1 2 . 1 1 2 2 LYS H H 2 8.573 8.573 8.719 -0.146 18289
51 1 2 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289
52 1 2 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.138 -0.017 18289
53 1 2 . 1 1 4 4 ARG H H 4 8.040 8.040 7.773 0.267 18289
54 1 2 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.086 -0.003 18289
55 1 2 . 1 1 5 5 ILE H H 5 7.903 7.903 7.718 0.185 18289
56 1 2 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.405 0.002 18289
57 1 2 . 1 1 6 6 ASP H H 6 8.402 8.402 8.180 0.222 18289
58 1 2 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.079 0.240 18289
59 1 2 . 1 1 7 7 ALA H H 7 8.013 8.013 7.705 0.308 18289
60 1 2 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.481 -0.134 18289
61 1 2 . 1 1 9 9 ASP H H 9 8.203 8.203 8.035 0.168 18289
62 1 2 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.341 0.295 18289
63 1 2 . 1 1 10 10 PHE H H 10 7.949 7.949 8.067 -0.118 18289
64 1 2 . 1 1 12 12 SER HA H 12 4.226 4.226 4.373 -0.147 18289
65 1 2 . 1 1 12 12 SER H H 12 8.255 8.255 7.638 0.617 18289
66 1 2 . 1 1 13 13 SER HA H 13 4.542 4.542 4.351 0.191 18289
67 1 2 . 1 1 13 13 SER H H 13 8.159 8.159 8.113 0.046 18289
68 1 2 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.176 -0.162 18289
69 1 2 . 1 1 15 15 ALA H H 15 8.166 8.166 7.328 0.838 18289
70 1 2 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.736 0.136 18289
71 1 2 . 1 1 16 16 ILE H H 16 7.965 7.965 8.449 -0.484 18289
72 1 2 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.152 -0.077 18289
73 1 2 . 1 1 17 17 LEU H H 17 8.181 8.181 8.143 0.038 18289
74 1 2 . 1 1 18 18 GLY H H 18 8.215 8.215 7.827 0.388 18289
75 1 2 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.195 -0.117 18289
76 1 2 . 1 1 19 19 LYS H H 19 7.975 7.975 7.970 0.005 18289
77 1 2 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.176 -0.198 18289
78 1 2 . 1 1 20 20 ALA H H 20 8.210 8.210 8.025 0.185 18289
79 1 2 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.148 -0.247 18289
80 1 2 . 1 1 21 21 ALA H H 21 8.187 8.187 7.729 0.458 18289
81 1 2 . 1 1 22 22 THR HA H 22 4.529 4.529 4.167 0.362 18289
82 1 2 . 1 1 22 22 THR H H 22 8.406 8.406 7.653 0.753 18289
83 1 2 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.591 -0.121 18289
84 1 2 . 1 1 23 23 ASP H H 23 8.209 8.209 8.157 0.052 18289
85 1 2 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.827 0.002 18289
86 1 2 . 1 1 24 24 VAL H H 24 7.900 7.900 7.662 0.238 18289
87 1 2 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.805 -0.034 18289
88 1 2 . 1 1 25 25 VAL H H 25 8.047 8.047 7.541 0.506 18289
89 1 2 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.343 -0.383 18289
90 1 2 . 1 1 26 26 ALA H H 26 8.187 8.187 7.720 0.467 18289
91 1 2 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.155 -0.153 18289
92 1 2 . 1 1 27 27 ALA H H 27 8.052 8.052 8.156 -0.104 18289
93 1 2 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.406 -0.053 18289
94 1 2 . 1 1 28 28 TRP H H 28 7.869 7.869 7.932 -0.063 18289
95 1 2 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.243 -0.245 18289
96 1 2 . 1 1 29 29 LYS H H 29 7.684 7.684 7.748 -0.064 18289
97 1 3 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.360 -0.272 18289
98 1 3 . 1 1 2 2 LYS H H 2 8.573 8.573 8.388 0.185 18289
99 1 3 . 1 1 3 3 GLY H H 3 8.410 8.410 8.437 -0.027 18289
100 1 3 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.111 0.010 18289
101 1 3 . 1 1 4 4 ARG H H 4 8.040 8.040 7.751 0.289 18289
102 1 3 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.028 0.055 18289
103 1 3 . 1 1 5 5 ILE H H 5 7.903 7.903 7.715 0.188 18289
104 1 3 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.401 0.006 18289
105 1 3 . 1 1 6 6 ASP H H 6 8.402 8.402 8.182 0.220 18289
106 1 3 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.066 0.253 18289
107 1 3 . 1 1 7 7 ALA H H 7 8.013 8.013 7.722 0.291 18289
108 1 3 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.512 -0.165 18289
109 1 3 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289
110 1 3 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.359 0.277 18289
111 1 3 . 1 1 10 10 PHE H H 10 7.949 7.949 8.081 -0.132 18289
112 1 3 . 1 1 12 12 SER HA H 12 4.226 4.226 4.342 -0.116 18289
113 1 3 . 1 1 12 12 SER H H 12 8.255 8.255 7.687 0.568 18289
114 1 3 . 1 1 13 13 SER HA H 13 4.542 4.542 4.373 0.169 18289
115 1 3 . 1 1 13 13 SER H H 13 8.159 8.159 8.157 0.002 18289
116 1 3 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.188 -0.174 18289
117 1 3 . 1 1 15 15 ALA H H 15 8.166 8.166 7.417 0.749 18289
118 1 3 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.869 0.003 18289
119 1 3 . 1 1 16 16 ILE H H 16 7.965 7.965 8.528 -0.563 18289
120 1 3 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.148 -0.073 18289
121 1 3 . 1 1 17 17 LEU H H 17 8.181 8.181 8.210 -0.029 18289
122 1 3 . 1 1 18 18 GLY H H 18 8.215 8.215 7.780 0.435 18289
123 1 3 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.199 -0.121 18289
124 1 3 . 1 1 19 19 LYS H H 19 7.975 7.975 7.905 0.070 18289
125 1 3 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.179 -0.201 18289
126 1 3 . 1 1 20 20 ALA H H 20 8.210 8.210 7.878 0.332 18289
127 1 3 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.152 -0.251 18289
128 1 3 . 1 1 21 21 ALA H H 21 8.187 8.187 7.746 0.441 18289
129 1 3 . 1 1 22 22 THR HA H 22 4.529 4.529 4.147 0.382 18289
130 1 3 . 1 1 22 22 THR H H 22 8.406 8.406 7.630 0.776 18289
131 1 3 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.560 -0.090 18289
132 1 3 . 1 1 23 23 ASP H H 23 8.209 8.209 8.129 0.080 18289
133 1 3 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.894 -0.065 18289
134 1 3 . 1 1 24 24 VAL H H 24 7.900 7.900 7.762 0.138 18289
135 1 3 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.835 -0.064 18289
136 1 3 . 1 1 25 25 VAL H H 25 8.047 8.047 7.571 0.476 18289
137 1 3 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.286 -0.326 18289
138 1 3 . 1 1 26 26 ALA H H 26 8.187 8.187 7.636 0.551 18289
139 1 3 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.276 -0.274 18289
140 1 3 . 1 1 27 27 ALA H H 27 8.052 8.052 7.960 0.092 18289
141 1 3 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.339 0.014 18289
142 1 3 . 1 1 28 28 TRP H H 28 7.869 7.869 8.032 -0.163 18289
143 1 3 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.233 -0.235 18289
144 1 3 . 1 1 29 29 LYS H H 29 7.684 7.684 8.022 -0.338 18289
145 1 4 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.346 -0.258 18289
146 1 4 . 1 1 2 2 LYS H H 2 8.573 8.573 8.755 -0.182 18289
147 1 4 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289
148 1 4 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.156 -0.035 18289
149 1 4 . 1 1 4 4 ARG H H 4 8.040 8.040 7.757 0.283 18289
150 1 4 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.080 0.003 18289
151 1 4 . 1 1 5 5 ILE H H 5 7.903 7.903 7.725 0.178 18289
152 1 4 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.439 -0.032 18289
153 1 4 . 1 1 6 6 ASP H H 6 8.402 8.402 8.286 0.116 18289
154 1 4 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.093 0.226 18289
155 1 4 . 1 1 7 7 ALA H H 7 8.013 8.013 7.716 0.297 18289
156 1 4 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.489 -0.142 18289
157 1 4 . 1 1 9 9 ASP H H 9 8.203 8.203 8.072 0.131 18289
158 1 4 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.337 0.299 18289
159 1 4 . 1 1 10 10 PHE H H 10 7.949 7.949 8.056 -0.107 18289
160 1 4 . 1 1 12 12 SER HA H 12 4.226 4.226 4.328 -0.102 18289
161 1 4 . 1 1 12 12 SER H H 12 8.255 8.255 7.698 0.557 18289
162 1 4 . 1 1 13 13 SER HA H 13 4.542 4.542 4.225 0.317 18289
163 1 4 . 1 1 13 13 SER H H 13 8.159 8.159 8.017 0.142 18289
164 1 4 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.192 -0.178 18289
165 1 4 . 1 1 15 15 ALA H H 15 8.166 8.166 7.426 0.740 18289
166 1 4 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.727 0.145 18289
167 1 4 . 1 1 16 16 ILE H H 16 7.965 7.965 8.447 -0.482 18289
168 1 4 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.135 -0.060 18289
169 1 4 . 1 1 17 17 LEU H H 17 8.181 8.181 8.099 0.082 18289
170 1 4 . 1 1 18 18 GLY H H 18 8.215 8.215 7.788 0.427 18289
171 1 4 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.196 -0.118 18289
172 1 4 . 1 1 19 19 LYS H H 19 7.975 7.975 7.902 0.073 18289
173 1 4 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.191 -0.213 18289
174 1 4 . 1 1 20 20 ALA H H 20 8.210 8.210 7.940 0.270 18289
175 1 4 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.037 -0.136 18289
176 1 4 . 1 1 21 21 ALA H H 21 8.187 8.187 7.711 0.476 18289
177 1 4 . 1 1 22 22 THR HA H 22 4.529 4.529 4.120 0.409 18289
178 1 4 . 1 1 22 22 THR H H 22 8.406 8.406 7.560 0.846 18289
179 1 4 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.504 -0.034 18289
180 1 4 . 1 1 23 23 ASP H H 23 8.209 8.209 8.139 0.070 18289
181 1 4 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.863 -0.034 18289
182 1 4 . 1 1 24 24 VAL H H 24 7.900 7.900 7.791 0.109 18289
183 1 4 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.858 -0.087 18289
184 1 4 . 1 1 25 25 VAL H H 25 8.047 8.047 7.593 0.454 18289
185 1 4 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.336 -0.376 18289
186 1 4 . 1 1 26 26 ALA H H 26 8.187 8.187 7.712 0.475 18289
187 1 4 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.110 -0.108 18289
188 1 4 . 1 1 27 27 ALA H H 27 8.052 8.052 8.134 -0.082 18289
189 1 4 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.361 -0.008 18289
190 1 4 . 1 1 28 28 TRP H H 28 7.869 7.869 7.904 -0.035 18289
191 1 4 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.255 -0.258 18289
192 1 4 . 1 1 29 29 LYS H H 29 7.684 7.684 7.798 -0.114 18289
193 1 5 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.349 -0.261 18289
194 1 5 . 1 1 2 2 LYS H H 2 8.573 8.573 8.693 -0.120 18289
195 1 5 . 1 1 3 3 GLY H H 3 8.410 8.410 8.431 -0.021 18289
196 1 5 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.151 -0.030 18289
197 1 5 . 1 1 4 4 ARG H H 4 8.040 8.040 7.767 0.273 18289
198 1 5 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.026 0.057 18289
199 1 5 . 1 1 5 5 ILE H H 5 7.903 7.903 7.718 0.185 18289
200 1 5 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.283 0.124 18289
201 1 5 . 1 1 6 6 ASP H H 6 8.402 8.402 8.193 0.209 18289
202 1 5 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.399 -0.080 18289
203 1 5 . 1 1 7 7 ALA H H 7 8.013 8.013 7.822 0.191 18289
204 1 5 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.485 -0.138 18289
205 1 5 . 1 1 9 9 ASP H H 9 8.203 8.203 7.981 0.222 18289
206 1 5 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.295 0.341 18289
207 1 5 . 1 1 10 10 PHE H H 10 7.949 7.949 7.977 -0.028 18289
208 1 5 . 1 1 12 12 SER HA H 12 4.226 4.226 4.352 -0.126 18289
209 1 5 . 1 1 12 12 SER H H 12 8.255 8.255 7.682 0.573 18289
210 1 5 . 1 1 13 13 SER HA H 13 4.542 4.542 4.313 0.229 18289
211 1 5 . 1 1 13 13 SER H H 13 8.159 8.159 8.204 -0.045 18289
212 1 5 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.208 -0.194 18289
213 1 5 . 1 1 15 15 ALA H H 15 8.166 8.166 7.452 0.714 18289
214 1 5 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.709 0.163 18289
215 1 5 . 1 1 16 16 ILE H H 16 7.965 7.965 8.470 -0.505 18289
216 1 5 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.091 -0.016 18289
217 1 5 . 1 1 17 17 LEU H H 17 8.181 8.181 8.159 0.022 18289
218 1 5 . 1 1 18 18 GLY H H 18 8.215 8.215 7.819 0.396 18289
219 1 5 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.194 -0.116 18289
220 1 5 . 1 1 19 19 LYS H H 19 7.975 7.975 7.908 0.067 18289
221 1 5 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.172 -0.194 18289
222 1 5 . 1 1 20 20 ALA H H 20 8.210 8.210 7.938 0.272 18289
223 1 5 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.149 -0.248 18289
224 1 5 . 1 1 21 21 ALA H H 21 8.187 8.187 7.703 0.484 18289
225 1 5 . 1 1 22 22 THR HA H 22 4.529 4.529 4.156 0.373 18289
226 1 5 . 1 1 22 22 THR H H 22 8.406 8.406 7.637 0.769 18289
227 1 5 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.542 -0.072 18289
228 1 5 . 1 1 23 23 ASP H H 23 8.209 8.209 8.123 0.086 18289
229 1 5 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.839 -0.010 18289
230 1 5 . 1 1 24 24 VAL H H 24 7.900 7.900 7.859 0.041 18289
231 1 5 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.781 -0.010 18289
232 1 5 . 1 1 25 25 VAL H H 25 8.047 8.047 7.552 0.495 18289
233 1 5 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.293 -0.333 18289
234 1 5 . 1 1 26 26 ALA H H 26 8.187 8.187 7.741 0.446 18289
235 1 5 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.179 -0.177 18289
236 1 5 . 1 1 27 27 ALA H H 27 8.052 8.052 7.922 0.130 18289
237 1 5 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.384 -0.031 18289
238 1 5 . 1 1 28 28 TRP H H 28 7.869 7.869 8.275 -0.406 18289
239 1 5 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.203 -0.205 18289
240 1 5 . 1 1 29 29 LYS H H 29 7.684 7.684 7.700 -0.016 18289
241 1 6 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.372 -0.284 18289
242 1 6 . 1 1 2 2 LYS H H 2 8.573 8.573 8.727 -0.154 18289
243 1 6 . 1 1 3 3 GLY H H 3 8.410 8.410 8.535 -0.125 18289
244 1 6 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.150 -0.029 18289
245 1 6 . 1 1 4 4 ARG H H 4 8.040 8.040 7.786 0.254 18289
246 1 6 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.067 0.016 18289
247 1 6 . 1 1 5 5 ILE H H 5 7.903 7.903 7.746 0.157 18289
248 1 6 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.412 -0.005 18289
249 1 6 . 1 1 6 6 ASP H H 6 8.402 8.402 8.204 0.198 18289
250 1 6 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.118 0.201 18289
251 1 6 . 1 1 7 7 ALA H H 7 8.013 8.013 7.757 0.256 18289
252 1 6 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.513 -0.166 18289
253 1 6 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289
254 1 6 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.351 0.285 18289
255 1 6 . 1 1 10 10 PHE H H 10 7.949 7.949 8.068 -0.119 18289
256 1 6 . 1 1 12 12 SER HA H 12 4.226 4.226 4.331 -0.105 18289
257 1 6 . 1 1 12 12 SER H H 12 8.255 8.255 7.637 0.618 18289
258 1 6 . 1 1 13 13 SER HA H 13 4.542 4.542 4.380 0.162 18289
259 1 6 . 1 1 13 13 SER H H 13 8.159 8.159 8.162 -0.003 18289
260 1 6 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.179 -0.165 18289
261 1 6 . 1 1 15 15 ALA H H 15 8.166 8.166 7.407 0.759 18289
262 1 6 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.834 0.038 18289
263 1 6 . 1 1 16 16 ILE H H 16 7.965 7.965 8.477 -0.512 18289
264 1 6 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.203 -0.128 18289
265 1 6 . 1 1 17 17 LEU H H 17 8.181 8.181 8.150 0.031 18289
266 1 6 . 1 1 18 18 GLY H H 18 8.215 8.215 7.821 0.394 18289
267 1 6 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.262 -0.184 18289
268 1 6 . 1 1 19 19 LYS H H 19 7.975 7.975 7.925 0.050 18289
269 1 6 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.154 -0.176 18289
270 1 6 . 1 1 20 20 ALA H H 20 8.210 8.210 7.745 0.465 18289
271 1 6 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.127 -0.226 18289
272 1 6 . 1 1 21 21 ALA H H 21 8.187 8.187 7.751 0.436 18289
273 1 6 . 1 1 22 22 THR HA H 22 4.529 4.529 4.152 0.377 18289
274 1 6 . 1 1 22 22 THR H H 22 8.406 8.406 7.617 0.789 18289
275 1 6 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.566 -0.096 18289
276 1 6 . 1 1 23 23 ASP H H 23 8.209 8.209 8.138 0.071 18289
277 1 6 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.849 -0.020 18289
278 1 6 . 1 1 24 24 VAL H H 24 7.900 7.900 7.718 0.182 18289
279 1 6 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.764 0.007 18289
280 1 6 . 1 1 25 25 VAL H H 25 8.047 8.047 7.506 0.541 18289
281 1 6 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.338 -0.378 18289
282 1 6 . 1 1 26 26 ALA H H 26 8.187 8.187 7.696 0.491 18289
283 1 6 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.170 -0.168 18289
284 1 6 . 1 1 27 27 ALA H H 27 8.052 8.052 8.133 -0.081 18289
285 1 6 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.388 -0.035 18289
286 1 6 . 1 1 28 28 TRP H H 28 7.869 7.869 7.901 -0.032 18289
287 1 6 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.161 -0.163 18289
288 1 6 . 1 1 29 29 LYS H H 29 7.684 7.684 7.754 -0.070 18289
289 1 7 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.365 -0.277 18289
290 1 7 . 1 1 2 2 LYS H H 2 8.573 8.573 8.701 -0.128 18289
291 1 7 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289
292 1 7 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.142 -0.021 18289
293 1 7 . 1 1 4 4 ARG H H 4 8.040 8.040 7.787 0.253 18289
294 1 7 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.054 0.029 18289
295 1 7 . 1 1 5 5 ILE H H 5 7.903 7.903 7.734 0.169 18289
296 1 7 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.392 0.015 18289
297 1 7 . 1 1 6 6 ASP H H 6 8.402 8.402 8.174 0.228 18289
298 1 7 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.084 0.235 18289
299 1 7 . 1 1 7 7 ALA H H 7 8.013 8.013 7.727 0.286 18289
300 1 7 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.506 -0.159 18289
301 1 7 . 1 1 9 9 ASP H H 9 8.203 8.203 8.010 0.193 18289
302 1 7 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.346 0.290 18289
303 1 7 . 1 1 10 10 PHE H H 10 7.949 7.949 8.063 -0.114 18289
304 1 7 . 1 1 12 12 SER HA H 12 4.226 4.226 4.327 -0.101 18289
305 1 7 . 1 1 12 12 SER H H 12 8.255 8.255 7.702 0.553 18289
306 1 7 . 1 1 13 13 SER HA H 13 4.542 4.542 4.222 0.320 18289
307 1 7 . 1 1 13 13 SER H H 13 8.159 8.159 8.000 0.159 18289
308 1 7 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.176 -0.162 18289
309 1 7 . 1 1 15 15 ALA H H 15 8.166 8.166 7.398 0.768 18289
310 1 7 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.865 0.007 18289
311 1 7 . 1 1 16 16 ILE H H 16 7.965 7.965 8.366 -0.401 18289
312 1 7 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.120 -0.045 18289
313 1 7 . 1 1 17 17 LEU H H 17 8.181 8.181 8.179 0.002 18289
314 1 7 . 1 1 18 18 GLY H H 18 8.215 8.215 7.836 0.379 18289
315 1 7 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.196 -0.118 18289
316 1 7 . 1 1 19 19 LYS H H 19 7.975 7.975 7.939 0.036 18289
317 1 7 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.154 -0.176 18289
318 1 7 . 1 1 20 20 ALA H H 20 8.210 8.210 7.710 0.500 18289
319 1 7 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.081 -0.180 18289
320 1 7 . 1 1 21 21 ALA H H 21 8.187 8.187 7.733 0.454 18289
321 1 7 . 1 1 22 22 THR HA H 22 4.529 4.529 4.131 0.398 18289
322 1 7 . 1 1 22 22 THR H H 22 8.406 8.406 7.591 0.815 18289
323 1 7 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.499 -0.029 18289
324 1 7 . 1 1 23 23 ASP H H 23 8.209 8.209 8.087 0.122 18289
325 1 7 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.848 -0.019 18289
326 1 7 . 1 1 24 24 VAL H H 24 7.900 7.900 7.687 0.213 18289
327 1 7 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.703 0.068 18289
328 1 7 . 1 1 25 25 VAL H H 25 8.047 8.047 7.456 0.591 18289
329 1 7 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.270 -0.310 18289
330 1 7 . 1 1 26 26 ALA H H 26 8.187 8.187 7.790 0.397 18289
331 1 7 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.202 -0.200 18289
332 1 7 . 1 1 27 27 ALA H H 27 8.052 8.052 7.886 0.166 18289
333 1 7 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.394 -0.041 18289
334 1 7 . 1 1 28 28 TRP H H 28 7.869 7.869 8.249 -0.380 18289
335 1 7 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.032 -0.034 18289
336 1 7 . 1 1 29 29 LYS H H 29 7.684 7.684 7.786 -0.102 18289
337 1 8 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.346 -0.258 18289
338 1 8 . 1 1 2 2 LYS H H 2 8.573 8.573 8.768 -0.195 18289
339 1 8 . 1 1 3 3 GLY H H 3 8.410 8.410 8.519 -0.109 18289
340 1 8 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.185 -0.064 18289
341 1 8 . 1 1 4 4 ARG H H 4 8.040 8.040 7.801 0.239 18289
342 1 8 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.056 0.027 18289
343 1 8 . 1 1 5 5 ILE H H 5 7.903 7.903 7.727 0.176 18289
344 1 8 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.325 0.082 18289
345 1 8 . 1 1 6 6 ASP H H 6 8.402 8.402 8.206 0.196 18289
346 1 8 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.359 -0.040 18289
347 1 8 . 1 1 7 7 ALA H H 7 8.013 8.013 7.828 0.185 18289
348 1 8 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.491 -0.144 18289
349 1 8 . 1 1 9 9 ASP H H 9 8.203 8.203 7.989 0.214 18289
350 1 8 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.267 0.369 18289
351 1 8 . 1 1 10 10 PHE H H 10 7.949 7.949 8.000 -0.051 18289
352 1 8 . 1 1 12 12 SER HA H 12 4.226 4.226 4.366 -0.140 18289
353 1 8 . 1 1 12 12 SER H H 12 8.255 8.255 7.678 0.577 18289
354 1 8 . 1 1 13 13 SER HA H 13 4.542 4.542 4.314 0.228 18289
355 1 8 . 1 1 13 13 SER H H 13 8.159 8.159 8.299 -0.140 18289
356 1 8 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.192 -0.178 18289
357 1 8 . 1 1 15 15 ALA H H 15 8.166 8.166 7.431 0.735 18289
358 1 8 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.891 -0.019 18289
359 1 8 . 1 1 16 16 ILE H H 16 7.965 7.965 8.386 -0.421 18289
360 1 8 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.255 -0.180 18289
361 1 8 . 1 1 17 17 LEU H H 17 8.181 8.181 8.146 0.035 18289
362 1 8 . 1 1 18 18 GLY H H 18 8.215 8.215 7.862 0.353 18289
363 1 8 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.267 -0.189 18289
364 1 8 . 1 1 19 19 LYS H H 19 7.975 7.975 7.929 0.046 18289
365 1 8 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.166 -0.188 18289
366 1 8 . 1 1 20 20 ALA H H 20 8.210 8.210 7.790 0.420 18289
367 1 8 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.020 -0.119 18289
368 1 8 . 1 1 21 21 ALA H H 21 8.187 8.187 7.738 0.449 18289
369 1 8 . 1 1 22 22 THR HA H 22 4.529 4.529 4.065 0.464 18289
370 1 8 . 1 1 22 22 THR H H 22 8.406 8.406 7.577 0.829 18289
371 1 8 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.498 -0.028 18289
372 1 8 . 1 1 23 23 ASP H H 23 8.209 8.209 8.121 0.088 18289
373 1 8 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.879 -0.050 18289
374 1 8 . 1 1 24 24 VAL H H 24 7.900 7.900 7.876 0.024 18289
375 1 8 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.812 -0.041 18289
376 1 8 . 1 1 25 25 VAL H H 25 8.047 8.047 7.579 0.468 18289
377 1 8 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.259 -0.299 18289
378 1 8 . 1 1 26 26 ALA H H 26 8.187 8.187 7.755 0.432 18289
379 1 8 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.221 -0.219 18289
380 1 8 . 1 1 27 27 ALA H H 27 8.052 8.052 7.991 0.061 18289
381 1 8 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.396 -0.043 18289
382 1 8 . 1 1 28 28 TRP H H 28 7.869 7.869 8.379 -0.510 18289
383 1 8 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.042 -0.044 18289
384 1 8 . 1 1 29 29 LYS H H 29 7.684 7.684 7.787 -0.103 18289
385 1 9 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.309 -0.221 18289
386 1 9 . 1 1 2 2 LYS H H 2 8.573 8.573 8.600 -0.027 18289
387 1 9 . 1 1 3 3 GLY H H 3 8.410 8.410 8.478 -0.068 18289
388 1 9 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.192 -0.071 18289
389 1 9 . 1 1 4 4 ARG H H 4 8.040 8.040 7.740 0.300 18289
390 1 9 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.048 0.035 18289
391 1 9 . 1 1 5 5 ILE H H 5 7.903 7.903 7.739 0.164 18289
392 1 9 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.357 0.050 18289
393 1 9 . 1 1 6 6 ASP H H 6 8.402 8.402 8.303 0.099 18289
394 1 9 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.398 -0.079 18289
395 1 9 . 1 1 7 7 ALA H H 7 8.013 8.013 7.740 0.273 18289
396 1 9 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.461 -0.114 18289
397 1 9 . 1 1 9 9 ASP H H 9 8.203 8.203 7.989 0.214 18289
398 1 9 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.325 0.311 18289
399 1 9 . 1 1 10 10 PHE H H 10 7.949 7.949 8.070 -0.121 18289
400 1 9 . 1 1 12 12 SER HA H 12 4.226 4.226 4.333 -0.107 18289
401 1 9 . 1 1 12 12 SER H H 12 8.255 8.255 7.705 0.550 18289
402 1 9 . 1 1 13 13 SER HA H 13 4.542 4.542 4.261 0.281 18289
403 1 9 . 1 1 13 13 SER H H 13 8.159 8.159 8.053 0.106 18289
404 1 9 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.196 -0.182 18289
405 1 9 . 1 1 15 15 ALA H H 15 8.166 8.166 7.442 0.724 18289
406 1 9 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.842 0.030 18289
407 1 9 . 1 1 16 16 ILE H H 16 7.965 7.965 8.436 -0.471 18289
408 1 9 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.267 -0.192 18289
409 1 9 . 1 1 17 17 LEU H H 17 8.181 8.181 8.243 -0.062 18289
410 1 9 . 1 1 18 18 GLY H H 18 8.215 8.215 7.853 0.362 18289
411 1 9 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.194 -0.116 18289
412 1 9 . 1 1 19 19 LYS H H 19 7.975 7.975 7.952 0.023 18289
413 1 9 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.149 -0.171 18289
414 1 9 . 1 1 20 20 ALA H H 20 8.210 8.210 7.722 0.488 18289
415 1 9 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.137 -0.236 18289
416 1 9 . 1 1 21 21 ALA H H 21 8.187 8.187 7.744 0.443 18289
417 1 9 . 1 1 22 22 THR HA H 22 4.529 4.529 4.116 0.413 18289
418 1 9 . 1 1 22 22 THR H H 22 8.406 8.406 7.623 0.783 18289
419 1 9 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.545 -0.075 18289
420 1 9 . 1 1 23 23 ASP H H 23 8.209 8.209 8.099 0.110 18289
421 1 9 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.900 -0.071 18289
422 1 9 . 1 1 24 24 VAL H H 24 7.900 7.900 7.806 0.094 18289
423 1 9 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.679 0.092 18289
424 1 9 . 1 1 25 25 VAL H H 25 8.047 8.047 7.482 0.565 18289
425 1 9 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.343 -0.383 18289
426 1 9 . 1 1 26 26 ALA H H 26 8.187 8.187 7.658 0.529 18289
427 1 9 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.106 -0.104 18289
428 1 9 . 1 1 27 27 ALA H H 27 8.052 8.052 8.234 -0.182 18289
429 1 9 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.385 -0.032 18289
430 1 9 . 1 1 28 28 TRP H H 28 7.869 7.869 7.946 -0.077 18289
431 1 9 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.203 -0.205 18289
432 1 9 . 1 1 29 29 LYS H H 29 7.684 7.684 7.739 -0.055 18289
433 1 10 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.317 -0.229 18289
434 1 10 . 1 1 2 2 LYS H H 2 8.573 8.573 8.588 -0.015 18289
435 1 10 . 1 1 3 3 GLY H H 3 8.410 8.410 8.520 -0.110 18289
436 1 10 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.176 -0.055 18289
437 1 10 . 1 1 4 4 ARG H H 4 8.040 8.040 7.946 0.094 18289
438 1 10 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.233 -0.150 18289
439 1 10 . 1 1 5 5 ILE H H 5 7.903 7.903 7.549 0.354 18289
440 1 10 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.325 0.082 18289
441 1 10 . 1 1 6 6 ASP H H 6 8.402 8.402 8.201 0.201 18289
442 1 10 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.406 -0.087 18289
443 1 10 . 1 1 7 7 ALA H H 7 8.013 8.013 7.799 0.214 18289
444 1 10 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.554 -0.207 18289
445 1 10 . 1 1 9 9 ASP H H 9 8.203 8.203 8.062 0.141 18289
446 1 10 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.348 0.288 18289
447 1 10 . 1 1 10 10 PHE H H 10 7.949 7.949 8.024 -0.075 18289
448 1 10 . 1 1 12 12 SER HA H 12 4.226 4.226 4.375 -0.149 18289
449 1 10 . 1 1 12 12 SER H H 12 8.255 8.255 7.686 0.569 18289
450 1 10 . 1 1 13 13 SER HA H 13 4.542 4.542 4.371 0.171 18289
451 1 10 . 1 1 13 13 SER H H 13 8.159 8.159 8.138 0.021 18289
452 1 10 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.214 -0.200 18289
453 1 10 . 1 1 15 15 ALA H H 15 8.166 8.166 7.463 0.703 18289
454 1 10 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.729 0.143 18289
455 1 10 . 1 1 16 16 ILE H H 16 7.965 7.965 8.509 -0.544 18289
456 1 10 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.151 -0.076 18289
457 1 10 . 1 1 17 17 LEU H H 17 8.181 8.181 8.133 0.048 18289
458 1 10 . 1 1 18 18 GLY H H 18 8.215 8.215 7.813 0.402 18289
459 1 10 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.143 -0.065 18289
460 1 10 . 1 1 19 19 LYS H H 19 7.975 7.975 7.935 0.040 18289
461 1 10 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.173 -0.195 18289
462 1 10 . 1 1 20 20 ALA H H 20 8.210 8.210 7.951 0.259 18289
463 1 10 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.126 -0.225 18289
464 1 10 . 1 1 21 21 ALA H H 21 8.187 8.187 7.715 0.472 18289
465 1 10 . 1 1 22 22 THR HA H 22 4.529 4.529 4.103 0.426 18289
466 1 10 . 1 1 22 22 THR H H 22 8.406 8.406 7.607 0.799 18289
467 1 10 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.614 -0.144 18289
468 1 10 . 1 1 23 23 ASP H H 23 8.209 8.209 8.179 0.030 18289
469 1 10 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.756 0.073 18289
470 1 10 . 1 1 24 24 VAL H H 24 7.900 7.900 7.760 0.140 18289
471 1 10 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.850 -0.079 18289
472 1 10 . 1 1 25 25 VAL H H 25 8.047 8.047 7.538 0.509 18289
473 1 10 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.348 -0.388 18289
474 1 10 . 1 1 26 26 ALA H H 26 8.187 8.187 7.671 0.516 18289
475 1 10 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.145 -0.143 18289
476 1 10 . 1 1 27 27 ALA H H 27 8.052 8.052 8.173 -0.121 18289
477 1 10 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.350 0.003 18289
478 1 10 . 1 1 28 28 TRP H H 28 7.869 7.869 7.869 0.000 18289
479 1 10 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.270 -0.272 18289
480 1 10 . 1 1 29 29 LYS H H 29 7.684 7.684 7.830 -0.146 18289
481 1 11 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.313 -0.225 18289
482 1 11 . 1 1 2 2 LYS H H 2 8.573 8.573 8.517 0.056 18289
483 1 11 . 1 1 3 3 GLY H H 3 8.410 8.410 8.515 -0.105 18289
484 1 11 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.139 -0.018 18289
485 1 11 . 1 1 4 4 ARG H H 4 8.040 8.040 7.933 0.107 18289
486 1 11 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.230 -0.147 18289
487 1 11 . 1 1 5 5 ILE H H 5 7.903 7.903 7.565 0.338 18289
488 1 11 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.421 -0.014 18289
489 1 11 . 1 1 6 6 ASP H H 6 8.402 8.402 8.202 0.200 18289
490 1 11 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.090 0.229 18289
491 1 11 . 1 1 7 7 ALA H H 7 8.013 8.013 7.730 0.283 18289
492 1 11 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.627 -0.280 18289
493 1 11 . 1 1 9 9 ASP H H 9 8.203 8.203 8.073 0.130 18289
494 1 11 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.354 0.282 18289
495 1 11 . 1 1 10 10 PHE H H 10 7.949 7.949 8.073 -0.124 18289
496 1 11 . 1 1 12 12 SER HA H 12 4.226 4.226 4.332 -0.106 18289
497 1 11 . 1 1 12 12 SER H H 12 8.255 8.255 7.689 0.566 18289
498 1 11 . 1 1 13 13 SER HA H 13 4.542 4.542 4.343 0.199 18289
499 1 11 . 1 1 13 13 SER H H 13 8.159 8.159 8.142 0.017 18289
500 1 11 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.185 -0.171 18289
501 1 11 . 1 1 15 15 ALA H H 15 8.166 8.166 7.418 0.748 18289
502 1 11 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.851 0.021 18289
503 1 11 . 1 1 16 16 ILE H H 16 7.965 7.965 8.511 -0.546 18289
504 1 11 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.132 -0.057 18289
505 1 11 . 1 1 17 17 LEU H H 17 8.181 8.181 8.199 -0.018 18289
506 1 11 . 1 1 18 18 GLY H H 18 8.215 8.215 7.791 0.424 18289
507 1 11 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.187 -0.109 18289
508 1 11 . 1 1 19 19 LYS H H 19 7.975 7.975 7.900 0.075 18289
509 1 11 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.135 -0.157 18289
510 1 11 . 1 1 20 20 ALA H H 20 8.210 8.210 7.866 0.344 18289
511 1 11 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.105 -0.204 18289
512 1 11 . 1 1 21 21 ALA H H 21 8.187 8.187 7.719 0.468 18289
513 1 11 . 1 1 22 22 THR HA H 22 4.529 4.529 4.076 0.453 18289
514 1 11 . 1 1 22 22 THR H H 22 8.406 8.406 7.595 0.811 18289
515 1 11 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.540 -0.070 18289
516 1 11 . 1 1 23 23 ASP H H 23 8.209 8.209 8.091 0.118 18289
517 1 11 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.815 0.014 18289
518 1 11 . 1 1 24 24 VAL H H 24 7.900 7.900 7.759 0.141 18289
519 1 11 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.727 0.044 18289
520 1 11 . 1 1 25 25 VAL H H 25 8.047 8.047 7.465 0.582 18289
521 1 11 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.258 -0.298 18289
522 1 11 . 1 1 26 26 ALA H H 26 8.187 8.187 7.736 0.451 18289
523 1 11 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.211 -0.209 18289
524 1 11 . 1 1 27 27 ALA H H 27 8.052 8.052 7.966 0.086 18289
525 1 11 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.405 -0.052 18289
526 1 11 . 1 1 28 28 TRP H H 28 7.869 7.869 8.329 -0.460 18289
527 1 11 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.060 -0.062 18289
528 1 11 . 1 1 29 29 LYS H H 29 7.684 7.684 7.727 -0.043 18289
529 1 12 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.355 -0.267 18289
530 1 12 . 1 1 2 2 LYS H H 2 8.573 8.573 8.754 -0.181 18289
531 1 12 . 1 1 3 3 GLY H H 3 8.410 8.410 8.529 -0.119 18289
532 1 12 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.148 -0.027 18289
533 1 12 . 1 1 4 4 ARG H H 4 8.040 8.040 7.743 0.297 18289
534 1 12 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.060 0.023 18289
535 1 12 . 1 1 5 5 ILE H H 5 7.903 7.903 7.735 0.168 18289
536 1 12 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.416 -0.009 18289
537 1 12 . 1 1 6 6 ASP H H 6 8.402 8.402 8.243 0.159 18289
538 1 12 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.101 0.218 18289
539 1 12 . 1 1 7 7 ALA H H 7 8.013 8.013 7.737 0.276 18289
540 1 12 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.514 -0.167 18289
541 1 12 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289
542 1 12 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.292 0.344 18289
543 1 12 . 1 1 10 10 PHE H H 10 7.949 7.949 8.049 -0.100 18289
544 1 12 . 1 1 12 12 SER HA H 12 4.226 4.226 4.321 -0.095 18289
545 1 12 . 1 1 12 12 SER H H 12 8.255 8.255 7.633 0.622 18289
546 1 12 . 1 1 13 13 SER HA H 13 4.542 4.542 4.316 0.226 18289
547 1 12 . 1 1 13 13 SER H H 13 8.159 8.159 8.254 -0.095 18289
548 1 12 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.178 -0.164 18289
549 1 12 . 1 1 15 15 ALA H H 15 8.166 8.166 7.398 0.768 18289
550 1 12 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.853 0.019 18289
551 1 12 . 1 1 16 16 ILE H H 16 7.965 7.965 8.356 -0.391 18289
552 1 12 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.125 -0.050 18289
553 1 12 . 1 1 17 17 LEU H H 17 8.181 8.181 8.176 0.005 18289
554 1 12 . 1 1 18 18 GLY H H 18 8.215 8.215 7.854 0.361 18289
555 1 12 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.149 -0.071 18289
556 1 12 . 1 1 19 19 LYS H H 19 7.975 7.975 7.950 0.025 18289
557 1 12 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.170 -0.192 18289
558 1 12 . 1 1 20 20 ALA H H 20 8.210 8.210 7.762 0.448 18289
559 1 12 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.141 -0.240 18289
560 1 12 . 1 1 21 21 ALA H H 21 8.187 8.187 7.731 0.456 18289
561 1 12 . 1 1 22 22 THR HA H 22 4.529 4.529 4.171 0.358 18289
562 1 12 . 1 1 22 22 THR H H 22 8.406 8.406 7.649 0.757 18289
563 1 12 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.609 -0.139 18289
564 1 12 . 1 1 23 23 ASP H H 23 8.209 8.209 8.164 0.045 18289
565 1 12 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.845 -0.016 18289
566 1 12 . 1 1 24 24 VAL H H 24 7.900 7.900 7.836 0.064 18289
567 1 12 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.816 -0.045 18289
568 1 12 . 1 1 25 25 VAL H H 25 8.047 8.047 7.535 0.512 18289
569 1 12 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.260 -0.300 18289
570 1 12 . 1 1 26 26 ALA H H 26 8.187 8.187 7.761 0.426 18289
571 1 12 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.219 -0.217 18289
572 1 12 . 1 1 27 27 ALA H H 27 8.052 8.052 7.990 0.062 18289
573 1 12 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.412 -0.059 18289
574 1 12 . 1 1 28 28 TRP H H 28 7.869 7.869 8.384 -0.515 18289
575 1 12 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.767 0.231 18289
576 1 12 . 1 1 29 29 LYS H H 29 7.684 7.684 7.673 0.011 18289
577 1 13 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.271 -0.183 18289
578 1 13 . 1 1 2 2 LYS H H 2 8.573 8.573 8.288 0.285 18289
579 1 13 . 1 1 3 3 GLY H H 3 8.410 8.410 8.587 -0.177 18289
580 1 13 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.148 -0.027 18289
581 1 13 . 1 1 4 4 ARG H H 4 8.040 8.040 7.878 0.162 18289
582 1 13 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.235 -0.152 18289
583 1 13 . 1 1 5 5 ILE H H 5 7.903 7.903 7.605 0.298 18289
584 1 13 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.474 -0.067 18289
585 1 13 . 1 1 6 6 ASP H H 6 8.402 8.402 8.246 0.156 18289
586 1 13 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.127 0.192 18289
587 1 13 . 1 1 7 7 ALA H H 7 8.013 8.013 7.679 0.334 18289
588 1 13 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.507 -0.160 18289
589 1 13 . 1 1 9 9 ASP H H 9 8.203 8.203 8.014 0.189 18289
590 1 13 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.320 0.316 18289
591 1 13 . 1 1 10 10 PHE H H 10 7.949 7.949 8.079 -0.130 18289
592 1 13 . 1 1 12 12 SER HA H 12 4.226 4.226 4.354 -0.128 18289
593 1 13 . 1 1 12 12 SER H H 12 8.255 8.255 7.656 0.599 18289
594 1 13 . 1 1 13 13 SER HA H 13 4.542 4.542 4.295 0.247 18289
595 1 13 . 1 1 13 13 SER H H 13 8.159 8.159 8.011 0.148 18289
596 1 13 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.181 -0.167 18289
597 1 13 . 1 1 15 15 ALA H H 15 8.166 8.166 7.410 0.756 18289
598 1 13 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.838 0.034 18289
599 1 13 . 1 1 16 16 ILE H H 16 7.965 7.965 8.460 -0.495 18289
600 1 13 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.266 -0.191 18289
601 1 13 . 1 1 17 17 LEU H H 17 8.181 8.181 8.132 0.049 18289
602 1 13 . 1 1 18 18 GLY H H 18 8.215 8.215 7.811 0.404 18289
603 1 13 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.136 -0.058 18289
604 1 13 . 1 1 19 19 LYS H H 19 7.975 7.975 7.948 0.027 18289
605 1 13 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.162 -0.184 18289
606 1 13 . 1 1 20 20 ALA H H 20 8.210 8.210 7.709 0.501 18289
607 1 13 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.129 -0.228 18289
608 1 13 . 1 1 21 21 ALA H H 21 8.187 8.187 7.753 0.434 18289
609 1 13 . 1 1 22 22 THR HA H 22 4.529 4.529 4.162 0.367 18289
610 1 13 . 1 1 22 22 THR H H 22 8.406 8.406 7.630 0.776 18289
611 1 13 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.594 -0.124 18289
612 1 13 . 1 1 23 23 ASP H H 23 8.209 8.209 8.139 0.070 18289
613 1 13 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.838 -0.009 18289
614 1 13 . 1 1 24 24 VAL H H 24 7.900 7.900 7.754 0.146 18289
615 1 13 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.828 -0.057 18289
616 1 13 . 1 1 25 25 VAL H H 25 8.047 8.047 7.565 0.482 18289
617 1 13 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.349 -0.389 18289
618 1 13 . 1 1 26 26 ALA H H 26 8.187 8.187 7.699 0.488 18289
619 1 13 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.149 -0.147 18289
620 1 13 . 1 1 27 27 ALA H H 27 8.052 8.052 8.180 -0.128 18289
621 1 13 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.383 -0.030 18289
622 1 13 . 1 1 28 28 TRP H H 28 7.869 7.869 7.886 -0.017 18289
623 1 13 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.108 -0.110 18289
624 1 13 . 1 1 29 29 LYS H H 29 7.684 7.684 7.717 -0.033 18289
625 1 14 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.359 -0.271 18289
626 1 14 . 1 1 2 2 LYS H H 2 8.573 8.573 8.709 -0.136 18289
627 1 14 . 1 1 3 3 GLY H H 3 8.410 8.410 8.504 -0.094 18289
628 1 14 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.135 -0.014 18289
629 1 14 . 1 1 4 4 ARG H H 4 8.040 8.040 7.744 0.296 18289
630 1 14 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.022 0.061 18289
631 1 14 . 1 1 5 5 ILE H H 5 7.903 7.903 7.793 0.110 18289
632 1 14 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.370 0.037 18289
633 1 14 . 1 1 6 6 ASP H H 6 8.402 8.402 8.236 0.166 18289
634 1 14 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.353 -0.034 18289
635 1 14 . 1 1 7 7 ALA H H 7 8.013 8.013 7.825 0.188 18289
636 1 14 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.558 -0.211 18289
637 1 14 . 1 1 9 9 ASP H H 9 8.203 8.203 8.085 0.118 18289
638 1 14 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.346 0.290 18289
639 1 14 . 1 1 10 10 PHE H H 10 7.949 7.949 8.018 -0.069 18289
640 1 14 . 1 1 12 12 SER HA H 12 4.226 4.226 4.428 -0.202 18289
641 1 14 . 1 1 12 12 SER H H 12 8.255 8.255 7.658 0.597 18289
642 1 14 . 1 1 13 13 SER HA H 13 4.542 4.542 4.363 0.179 18289
643 1 14 . 1 1 13 13 SER H H 13 8.159 8.159 8.088 0.071 18289
644 1 14 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.213 -0.199 18289
645 1 14 . 1 1 15 15 ALA H H 15 8.166 8.166 7.493 0.673 18289
646 1 14 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.786 0.086 18289
647 1 14 . 1 1 16 16 ILE H H 16 7.965 7.965 8.493 -0.528 18289
648 1 14 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.250 -0.175 18289
649 1 14 . 1 1 17 17 LEU H H 17 8.181 8.181 8.319 -0.138 18289
650 1 14 . 1 1 18 18 GLY H H 18 8.215 8.215 7.840 0.375 18289
651 1 14 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.201 -0.123 18289
652 1 14 . 1 1 19 19 LYS H H 19 7.975 7.975 7.960 0.015 18289
653 1 14 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.167 -0.189 18289
654 1 14 . 1 1 20 20 ALA H H 20 8.210 8.210 7.747 0.463 18289
655 1 14 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.129 -0.228 18289
656 1 14 . 1 1 21 21 ALA H H 21 8.187 8.187 7.673 0.514 18289
657 1 14 . 1 1 22 22 THR HA H 22 4.529 4.529 4.206 0.323 18289
658 1 14 . 1 1 22 22 THR H H 22 8.406 8.406 7.572 0.834 18289
659 1 14 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.577 -0.107 18289
660 1 14 . 1 1 23 23 ASP H H 23 8.209 8.209 8.091 0.118 18289
661 1 14 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.826 0.003 18289
662 1 14 . 1 1 24 24 VAL H H 24 7.900 7.900 7.769 0.131 18289
663 1 14 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.849 -0.078 18289
664 1 14 . 1 1 25 25 VAL H H 25 8.047 8.047 7.461 0.586 18289
665 1 14 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.332 -0.372 18289
666 1 14 . 1 1 26 26 ALA H H 26 8.187 8.187 7.573 0.614 18289
667 1 14 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.156 -0.154 18289
668 1 14 . 1 1 27 27 ALA H H 27 8.052 8.052 8.179 -0.127 18289
669 1 14 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.379 -0.026 18289
670 1 14 . 1 1 28 28 TRP H H 28 7.869 7.869 7.885 -0.016 18289
671 1 14 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.204 -0.206 18289
672 1 14 . 1 1 29 29 LYS H H 29 7.684 7.684 7.717 -0.033 18289
673 1 15 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.306 -0.218 18289
674 1 15 . 1 1 2 2 LYS H H 2 8.573 8.573 8.559 0.014 18289
675 1 15 . 1 1 3 3 GLY H H 3 8.410 8.410 8.521 -0.111 18289
676 1 15 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.169 -0.048 18289
677 1 15 . 1 1 4 4 ARG H H 4 8.040 8.040 7.925 0.115 18289
678 1 15 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.245 -0.162 18289
679 1 15 . 1 1 5 5 ILE H H 5 7.903 7.903 7.567 0.336 18289
680 1 15 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.282 0.125 18289
681 1 15 . 1 1 6 6 ASP H H 6 8.402 8.402 8.202 0.200 18289
682 1 15 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.408 -0.089 18289
683 1 15 . 1 1 7 7 ALA H H 7 8.013 8.013 7.794 0.219 18289
684 1 15 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.558 -0.211 18289
685 1 15 . 1 1 9 9 ASP H H 9 8.203 8.203 8.051 0.152 18289
686 1 15 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.363 0.273 18289
687 1 15 . 1 1 10 10 PHE H H 10 7.949 7.949 8.009 -0.060 18289
688 1 15 . 1 1 12 12 SER HA H 12 4.226 4.226 4.334 -0.108 18289
689 1 15 . 1 1 12 12 SER H H 12 8.255 8.255 7.670 0.585 18289
690 1 15 . 1 1 13 13 SER HA H 13 4.542 4.542 4.397 0.145 18289
691 1 15 . 1 1 13 13 SER H H 13 8.159 8.159 8.208 -0.049 18289
692 1 15 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.222 -0.208 18289
693 1 15 . 1 1 15 15 ALA H H 15 8.166 8.166 7.459 0.707 18289
694 1 15 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.795 0.077 18289
695 1 15 . 1 1 16 16 ILE H H 16 7.965 7.965 8.483 -0.518 18289
696 1 15 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.245 -0.170 18289
697 1 15 . 1 1 17 17 LEU H H 17 8.181 8.181 8.178 0.003 18289
698 1 15 . 1 1 18 18 GLY H H 18 8.215 8.215 7.877 0.338 18289
699 1 15 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.201 -0.123 18289
700 1 15 . 1 1 19 19 LYS H H 19 7.975 7.975 7.965 0.010 18289
701 1 15 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.142 -0.164 18289
702 1 15 . 1 1 20 20 ALA H H 20 8.210 8.210 7.707 0.503 18289
703 1 15 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.160 -0.259 18289
704 1 15 . 1 1 21 21 ALA H H 21 8.187 8.187 7.726 0.461 18289
705 1 15 . 1 1 22 22 THR HA H 22 4.529 4.529 4.178 0.351 18289
706 1 15 . 1 1 22 22 THR H H 22 8.406 8.406 7.631 0.775 18289
707 1 15 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.625 -0.155 18289
708 1 15 . 1 1 23 23 ASP H H 23 8.209 8.209 8.145 0.064 18289
709 1 15 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.787 0.042 18289
710 1 15 . 1 1 24 24 VAL H H 24 7.900 7.900 7.891 0.009 18289
711 1 15 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.813 -0.042 18289
712 1 15 . 1 1 25 25 VAL H H 25 8.047 8.047 7.487 0.560 18289
713 1 15 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.340 -0.380 18289
714 1 15 . 1 1 26 26 ALA H H 26 8.187 8.187 7.538 0.649 18289
715 1 15 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.159 -0.157 18289
716 1 15 . 1 1 27 27 ALA H H 27 8.052 8.052 8.068 -0.016 18289
717 1 15 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.352 0.001 18289
718 1 15 . 1 1 28 28 TRP H H 28 7.869 7.869 7.807 0.062 18289
719 1 15 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.207 -0.209 18289
720 1 15 . 1 1 29 29 LYS H H 29 7.684 7.684 7.811 -0.127 18289
721 1 16 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.258 -0.170 18289
722 1 16 . 1 1 2 2 LYS H H 2 8.573 8.573 8.300 0.273 18289
723 1 16 . 1 1 3 3 GLY H H 3 8.410 8.410 8.499 -0.089 18289
724 1 16 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.140 -0.019 18289
725 1 16 . 1 1 4 4 ARG H H 4 8.040 8.040 7.815 0.225 18289
726 1 16 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.189 -0.106 18289
727 1 16 . 1 1 5 5 ILE H H 5 7.903 7.903 7.578 0.325 18289
728 1 16 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.312 0.095 18289
729 1 16 . 1 1 6 6 ASP H H 6 8.402 8.402 8.219 0.183 18289
730 1 16 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.417 -0.098 18289
731 1 16 . 1 1 7 7 ALA H H 7 8.013 8.013 7.725 0.288 18289
732 1 16 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.480 -0.133 18289
733 1 16 . 1 1 9 9 ASP H H 9 8.203 8.203 7.977 0.226 18289
734 1 16 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.327 0.309 18289
735 1 16 . 1 1 10 10 PHE H H 10 7.949 7.949 8.017 -0.068 18289
736 1 16 . 1 1 12 12 SER HA H 12 4.226 4.226 4.344 -0.118 18289
737 1 16 . 1 1 12 12 SER H H 12 8.255 8.255 7.667 0.588 18289
738 1 16 . 1 1 13 13 SER HA H 13 4.542 4.542 4.355 0.187 18289
739 1 16 . 1 1 13 13 SER H H 13 8.159 8.159 8.159 0.000 18289
740 1 16 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.221 -0.207 18289
741 1 16 . 1 1 15 15 ALA H H 15 8.166 8.166 7.454 0.712 18289
742 1 16 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.827 0.045 18289
743 1 16 . 1 1 16 16 ILE H H 16 7.965 7.965 8.422 -0.457 18289
744 1 16 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.186 -0.111 18289
745 1 16 . 1 1 17 17 LEU H H 17 8.181 8.181 8.189 -0.008 18289
746 1 16 . 1 1 18 18 GLY H H 18 8.215 8.215 7.829 0.386 18289
747 1 16 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.167 -0.089 18289
748 1 16 . 1 1 19 19 LYS H H 19 7.975 7.975 7.964 0.011 18289
749 1 16 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.190 -0.212 18289
750 1 16 . 1 1 20 20 ALA H H 20 8.210 8.210 7.784 0.426 18289
751 1 16 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.124 -0.223 18289
752 1 16 . 1 1 21 21 ALA H H 21 8.187 8.187 7.688 0.499 18289
753 1 16 . 1 1 22 22 THR HA H 22 4.529 4.529 4.225 0.304 18289
754 1 16 . 1 1 22 22 THR H H 22 8.406 8.406 7.610 0.796 18289
755 1 16 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.592 -0.122 18289
756 1 16 . 1 1 23 23 ASP H H 23 8.209 8.209 8.152 0.057 18289
757 1 16 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.830 -0.001 18289
758 1 16 . 1 1 24 24 VAL H H 24 7.900 7.900 7.738 0.162 18289
759 1 16 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.864 -0.093 18289
760 1 16 . 1 1 25 25 VAL H H 25 8.047 8.047 7.560 0.487 18289
761 1 16 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.155 -0.195 18289
762 1 16 . 1 1 26 26 ALA H H 26 8.187 8.187 7.719 0.468 18289
763 1 16 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.222 -0.220 18289
764 1 16 . 1 1 27 27 ALA H H 27 8.052 8.052 7.925 0.127 18289
765 1 16 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.425 -0.072 18289
766 1 16 . 1 1 28 28 TRP H H 28 7.869 7.869 8.389 -0.520 18289
767 1 16 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.788 0.210 18289
768 1 16 . 1 1 29 29 LYS H H 29 7.684 7.684 7.612 0.072 18289
769 1 17 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.360 -0.272 18289
770 1 17 . 1 1 2 2 LYS H H 2 8.573 8.573 8.701 -0.128 18289
771 1 17 . 1 1 3 3 GLY H H 3 8.410 8.410 8.427 -0.017 18289
772 1 17 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.119 0.002 18289
773 1 17 . 1 1 4 4 ARG H H 4 8.040 8.040 7.723 0.317 18289
774 1 17 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.069 0.014 18289
775 1 17 . 1 1 5 5 ILE H H 5 7.903 7.903 7.683 0.220 18289
776 1 17 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.436 -0.029 18289
777 1 17 . 1 1 6 6 ASP H H 6 8.402 8.402 8.225 0.177 18289
778 1 17 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.095 0.224 18289
779 1 17 . 1 1 7 7 ALA H H 7 8.013 8.013 7.740 0.273 18289
780 1 17 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.489 -0.142 18289
781 1 17 . 1 1 9 9 ASP H H 9 8.203 8.203 8.029 0.174 18289
782 1 17 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.341 0.295 18289
783 1 17 . 1 1 10 10 PHE H H 10 7.949 7.949 8.058 -0.109 18289
784 1 17 . 1 1 12 12 SER HA H 12 4.226 4.226 4.378 -0.152 18289
785 1 17 . 1 1 12 12 SER H H 12 8.255 8.255 7.660 0.595 18289
786 1 17 . 1 1 13 13 SER HA H 13 4.542 4.542 4.273 0.269 18289
787 1 17 . 1 1 13 13 SER H H 13 8.159 8.159 8.082 0.077 18289
788 1 17 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.173 -0.159 18289
789 1 17 . 1 1 15 15 ALA H H 15 8.166 8.166 7.321 0.845 18289
790 1 17 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.811 0.061 18289
791 1 17 . 1 1 16 16 ILE H H 16 7.965 7.965 8.572 -0.607 18289
792 1 17 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.193 -0.118 18289
793 1 17 . 1 1 17 17 LEU H H 17 8.181 8.181 8.321 -0.140 18289
794 1 17 . 1 1 18 18 GLY H H 18 8.215 8.215 7.876 0.339 18289
795 1 17 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.206 -0.128 18289
796 1 17 . 1 1 19 19 LYS H H 19 7.975 7.975 7.918 0.057 18289
797 1 17 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.148 -0.170 18289
798 1 17 . 1 1 20 20 ALA H H 20 8.210 8.210 7.860 0.350 18289
799 1 17 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.109 -0.208 18289
800 1 17 . 1 1 21 21 ALA H H 21 8.187 8.187 7.658 0.529 18289
801 1 17 . 1 1 22 22 THR HA H 22 4.529 4.529 4.118 0.411 18289
802 1 17 . 1 1 22 22 THR H H 22 8.406 8.406 7.558 0.848 18289
803 1 17 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.595 -0.125 18289
804 1 17 . 1 1 23 23 ASP H H 23 8.209 8.209 8.180 0.029 18289
805 1 17 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.821 0.008 18289
806 1 17 . 1 1 24 24 VAL H H 24 7.900 7.900 7.814 0.086 18289
807 1 17 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.771 -0.000 18289
808 1 17 . 1 1 25 25 VAL H H 25 8.047 8.047 7.491 0.556 18289
809 1 17 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.361 -0.401 18289
810 1 17 . 1 1 26 26 ALA H H 26 8.187 8.187 7.665 0.522 18289
811 1 17 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.167 -0.165 18289
812 1 17 . 1 1 27 27 ALA H H 27 8.052 8.052 8.188 -0.136 18289
813 1 17 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.398 -0.045 18289
814 1 17 . 1 1 28 28 TRP H H 28 7.869 7.869 7.789 0.080 18289
815 1 17 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.962 0.036 18289
816 1 17 . 1 1 29 29 LYS H H 29 7.684 7.684 7.719 -0.035 18289
817 1 18 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.343 -0.255 18289
818 1 18 . 1 1 2 2 LYS H H 2 8.573 8.573 8.792 -0.219 18289
819 1 18 . 1 1 3 3 GLY H H 3 8.410 8.410 8.612 -0.202 18289
820 1 18 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.201 -0.080 18289
821 1 18 . 1 1 4 4 ARG H H 4 8.040 8.040 7.695 0.345 18289
822 1 18 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.103 -0.020 18289
823 1 18 . 1 1 5 5 ILE H H 5 7.903 7.903 7.704 0.199 18289
824 1 18 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.316 0.091 18289
825 1 18 . 1 1 6 6 ASP H H 6 8.402 8.402 8.203 0.199 18289
826 1 18 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.382 -0.063 18289
827 1 18 . 1 1 7 7 ALA H H 7 8.013 8.013 7.796 0.217 18289
828 1 18 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.461 -0.114 18289
829 1 18 . 1 1 9 9 ASP H H 9 8.203 8.203 7.976 0.227 18289
830 1 18 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.335 0.301 18289
831 1 18 . 1 1 10 10 PHE H H 10 7.949 7.949 8.030 -0.081 18289
832 1 18 . 1 1 12 12 SER HA H 12 4.226 4.226 4.405 -0.179 18289
833 1 18 . 1 1 12 12 SER H H 12 8.255 8.255 7.657 0.598 18289
834 1 18 . 1 1 13 13 SER HA H 13 4.542 4.542 4.307 0.235 18289
835 1 18 . 1 1 13 13 SER H H 13 8.159 8.159 8.078 0.081 18289
836 1 18 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.190 -0.176 18289
837 1 18 . 1 1 15 15 ALA H H 15 8.166 8.166 7.433 0.733 18289
838 1 18 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.841 0.031 18289
839 1 18 . 1 1 16 16 ILE H H 16 7.965 7.965 8.493 -0.528 18289
840 1 18 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.215 -0.140 18289
841 1 18 . 1 1 17 17 LEU H H 17 8.181 8.181 8.171 0.010 18289
842 1 18 . 1 1 18 18 GLY H H 18 8.215 8.215 7.821 0.394 18289
843 1 18 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.187 -0.109 18289
844 1 18 . 1 1 19 19 LYS H H 19 7.975 7.975 7.936 0.039 18289
845 1 18 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.144 -0.166 18289
846 1 18 . 1 1 20 20 ALA H H 20 8.210 8.210 7.695 0.515 18289
847 1 18 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.111 -0.210 18289
848 1 18 . 1 1 21 21 ALA H H 21 8.187 8.187 7.706 0.481 18289
849 1 18 . 1 1 22 22 THR HA H 22 4.529 4.529 4.142 0.387 18289
850 1 18 . 1 1 22 22 THR H H 22 8.406 8.406 7.589 0.817 18289
851 1 18 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.587 -0.117 18289
852 1 18 . 1 1 23 23 ASP H H 23 8.209 8.209 8.140 0.069 18289
853 1 18 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.867 -0.038 18289
854 1 18 . 1 1 24 24 VAL H H 24 7.900 7.900 7.801 0.099 18289
855 1 18 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.587 0.184 18289
856 1 18 . 1 1 25 25 VAL H H 25 8.047 8.047 7.423 0.624 18289
857 1 18 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.312 -0.352 18289
858 1 18 . 1 1 26 26 ALA H H 26 8.187 8.187 7.601 0.586 18289
859 1 18 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.332 -0.330 18289
860 1 18 . 1 1 27 27 ALA H H 27 8.052 8.052 8.184 -0.132 18289
861 1 18 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.371 -0.018 18289
862 1 18 . 1 1 28 28 TRP H H 28 7.869 7.869 8.196 -0.327 18289
863 1 18 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.151 -0.153 18289
864 1 18 . 1 1 29 29 LYS H H 29 7.684 7.684 7.724 -0.040 18289
865 1 19 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.320 -0.232 18289
866 1 19 . 1 1 2 2 LYS H H 2 8.573 8.573 8.628 -0.055 18289
867 1 19 . 1 1 3 3 GLY H H 3 8.410 8.410 8.531 -0.121 18289
868 1 19 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.139 -0.018 18289
869 1 19 . 1 1 4 4 ARG H H 4 8.040 8.040 7.790 0.250 18289
870 1 19 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.000 0.083 18289
871 1 19 . 1 1 5 5 ILE H H 5 7.903 7.903 7.759 0.144 18289
872 1 19 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.440 -0.033 18289
873 1 19 . 1 1 6 6 ASP H H 6 8.402 8.402 8.229 0.173 18289
874 1 19 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.079 0.240 18289
875 1 19 . 1 1 7 7 ALA H H 7 8.013 8.013 7.704 0.309 18289
876 1 19 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.581 -0.234 18289
877 1 19 . 1 1 9 9 ASP H H 9 8.203 8.203 8.093 0.110 18289
878 1 19 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.343 0.293 18289
879 1 19 . 1 1 10 10 PHE H H 10 7.949 7.949 8.065 -0.116 18289
880 1 19 . 1 1 12 12 SER HA H 12 4.226 4.226 4.347 -0.121 18289
881 1 19 . 1 1 12 12 SER H H 12 8.255 8.255 7.685 0.570 18289
882 1 19 . 1 1 13 13 SER HA H 13 4.542 4.542 4.330 0.212 18289
883 1 19 . 1 1 13 13 SER H H 13 8.159 8.159 8.024 0.135 18289
884 1 19 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.181 -0.167 18289
885 1 19 . 1 1 15 15 ALA H H 15 8.166 8.166 7.410 0.756 18289
886 1 19 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.832 0.040 18289
887 1 19 . 1 1 16 16 ILE H H 16 7.965 7.965 8.464 -0.499 18289
888 1 19 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.248 -0.173 18289
889 1 19 . 1 1 17 17 LEU H H 17 8.181 8.181 8.144 0.037 18289
890 1 19 . 1 1 18 18 GLY H H 18 8.215 8.215 7.831 0.384 18289
891 1 19 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.191 -0.113 18289
892 1 19 . 1 1 19 19 LYS H H 19 7.975 7.975 7.939 0.036 18289
893 1 19 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.143 -0.165 18289
894 1 19 . 1 1 20 20 ALA H H 20 8.210 8.210 7.699 0.511 18289
895 1 19 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.169 -0.268 18289
896 1 19 . 1 1 21 21 ALA H H 21 8.187 8.187 7.713 0.474 18289
897 1 19 . 1 1 22 22 THR HA H 22 4.529 4.529 4.180 0.349 18289
898 1 19 . 1 1 22 22 THR H H 22 8.406 8.406 7.636 0.770 18289
899 1 19 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.615 -0.145 18289
900 1 19 . 1 1 23 23 ASP H H 23 8.209 8.209 8.084 0.125 18289
901 1 19 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.827 0.002 18289
902 1 19 . 1 1 24 24 VAL H H 24 7.900 7.900 7.961 -0.061 18289
903 1 19 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.933 -0.162 18289
904 1 19 . 1 1 25 25 VAL H H 25 8.047 8.047 7.419 0.628 18289
905 1 19 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.340 -0.380 18289
906 1 19 . 1 1 26 26 ALA H H 26 8.187 8.187 7.512 0.675 18289
907 1 19 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.153 -0.151 18289
908 1 19 . 1 1 27 27 ALA H H 27 8.052 8.052 8.264 -0.212 18289
909 1 19 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.403 -0.050 18289
910 1 19 . 1 1 28 28 TRP H H 28 7.869 7.869 7.866 0.003 18289
911 1 19 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.186 -0.188 18289
912 1 19 . 1 1 29 29 LYS H H 29 7.684 7.684 7.712 -0.028 18289
913 1 20 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.348 -0.260 18289
914 1 20 . 1 1 2 2 LYS H H 2 8.573 8.573 8.406 0.167 18289
915 1 20 . 1 1 3 3 GLY H H 3 8.410 8.410 8.533 -0.123 18289
916 1 20 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.173 -0.052 18289
917 1 20 . 1 1 4 4 ARG H H 4 8.040 8.040 7.813 0.227 18289
918 1 20 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.003 0.080 18289
919 1 20 . 1 1 5 5 ILE H H 5 7.903 7.903 7.791 0.112 18289
920 1 20 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.299 0.108 18289
921 1 20 . 1 1 6 6 ASP H H 6 8.402 8.402 8.214 0.188 18289
922 1 20 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.407 -0.088 18289
923 1 20 . 1 1 7 7 ALA H H 7 8.013 8.013 7.815 0.198 18289
924 1 20 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.556 -0.209 18289
925 1 20 . 1 1 9 9 ASP H H 9 8.203 8.203 8.066 0.137 18289
926 1 20 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.353 0.283 18289
927 1 20 . 1 1 10 10 PHE H H 10 7.949 7.949 8.000 -0.051 18289
928 1 20 . 1 1 12 12 SER HA H 12 4.226 4.226 4.379 -0.153 18289
929 1 20 . 1 1 12 12 SER H H 12 8.255 8.255 7.695 0.560 18289
930 1 20 . 1 1 13 13 SER HA H 13 4.542 4.542 4.342 0.200 18289
931 1 20 . 1 1 13 13 SER H H 13 8.159 8.159 8.101 0.058 18289
932 1 20 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.217 -0.203 18289
933 1 20 . 1 1 15 15 ALA H H 15 8.166 8.166 7.512 0.654 18289
934 1 20 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.947 -0.075 18289
935 1 20 . 1 1 16 16 ILE H H 16 7.965 7.965 8.442 -0.477 18289
936 1 20 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.302 -0.227 18289
937 1 20 . 1 1 17 17 LEU H H 17 8.181 8.181 8.360 -0.179 18289
938 1 20 . 1 1 18 18 GLY H H 18 8.215 8.215 7.921 0.294 18289
939 1 20 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.189 -0.111 18289
940 1 20 . 1 1 19 19 LYS H H 19 7.975 7.975 7.883 0.092 18289
941 1 20 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.196 -0.218 18289
942 1 20 . 1 1 20 20 ALA H H 20 8.210 8.210 7.864 0.346 18289
943 1 20 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.128 -0.227 18289
944 1 20 . 1 1 21 21 ALA H H 21 8.187 8.187 7.677 0.510 18289
945 1 20 . 1 1 22 22 THR HA H 22 4.529 4.529 4.216 0.313 18289
946 1 20 . 1 1 22 22 THR H H 22 8.406 8.406 7.598 0.808 18289
947 1 20 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.562 -0.092 18289
948 1 20 . 1 1 23 23 ASP H H 23 8.209 8.209 8.145 0.064 18289
949 1 20 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.865 -0.036 18289
950 1 20 . 1 1 24 24 VAL H H 24 7.900 7.900 7.689 0.211 18289
951 1 20 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.805 -0.034 18289
952 1 20 . 1 1 25 25 VAL H H 25 8.047 8.047 7.508 0.539 18289
953 1 20 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.360 -0.400 18289
954 1 20 . 1 1 26 26 ALA H H 26 8.187 8.187 7.761 0.426 18289
955 1 20 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.162 -0.160 18289
956 1 20 . 1 1 27 27 ALA H H 27 8.052 8.052 8.145 -0.093 18289
957 1 20 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.390 -0.037 18289
958 1 20 . 1 1 28 28 TRP H H 28 7.869 7.869 7.853 0.016 18289
959 1 20 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.835 0.163 18289
960 1 20 . 1 1 29 29 LYS H H 29 7.684 7.684 7.683 0.001 18289
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 18289
2 1 1 "Average Difference" HA 25 0.183 0.059 0.177 18289
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18289
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18289
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18289
6 1 1 "Average Difference" HN 25 0.353 -0.181 0.310 18289
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18289
8 1 2 "Average Difference" HA 25 0.186 0.055 0.182 18289
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18289
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18289
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18289
12 1 2 "Average Difference" HN 25 0.356 -0.186 0.309 18289
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18289
14 1 3 "Average Difference" HA 25 0.185 0.057 0.179 18289
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18289
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18289
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18289
18 1 3 "Average Difference" HN 25 0.366 -0.193 0.317 18289
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18289
20 1 4 "Average Difference" HA 25 0.188 0.038 0.188 18289
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18289
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18289
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18289
24 1 4 "Average Difference" HN 25 0.351 -0.184 0.305 18289
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18289
26 1 5 "Average Difference" HA 25 0.182 0.047 0.179 18289
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18289
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18289
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18289
30 1 5 "Average Difference" HN 25 0.349 -0.177 0.307 18289
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18289
32 1 6 "Average Difference" HA 25 0.179 0.058 0.173 18289
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18289
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18289
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18289
36 1 6 "Average Difference" HN 25 0.362 -0.192 0.313 18289
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18289
38 1 7 "Average Difference" HA 25 0.177 0.028 0.178 18289
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18289
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18289
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18289
42 1 7 "Average Difference" HN 25 0.369 -0.202 0.315 18289
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18289
44 1 8 "Average Difference" HA 25 0.184 0.053 0.180 18289
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18289
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18289
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18289
48 1 8 "Average Difference" HN 25 0.358 -0.160 0.327 18289
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18289
50 1 9 "Average Difference" HA 25 0.184 0.054 0.179 18289
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18289
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18289
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18289
54 1 9 "Average Difference" HN 25 0.356 -0.190 0.307 18289
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18289
56 1 10 "Average Difference" HA 25 0.191 0.068 0.182 18289
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18289
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18289
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18289
60 1 10 "Average Difference" HN 25 0.349 -0.180 0.305 18289
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18289
62 1 11 "Average Difference" HA 25 0.180 0.044 0.178 18289
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18289
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18289
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18289
66 1 11 "Average Difference" HN 25 0.371 -0.186 0.328 18289
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18289
68 1 12 "Average Difference" HA 25 0.181 0.032 0.181 18289
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18289
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18289
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18289
72 1 12 "Average Difference" HN 25 0.363 -0.171 0.327 18289
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18289
74 1 13 "Average Difference" HA 25 0.180 0.058 0.174 18289
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18289
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18289
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18289
78 1 13 "Average Difference" HN 25 0.365 -0.213 0.303 18289
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18289
80 1 14 "Average Difference" HA 25 0.180 0.073 0.168 18289
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18289
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18289
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18289
84 1 14 "Average Difference" HN 25 0.369 -0.189 0.323 18289
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18289
86 1 15 "Average Difference" HA 25 0.182 0.076 0.168 18289
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18289
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18289
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18289
90 1 15 "Average Difference" HN 25 0.364 -0.195 0.313 18289
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18289
92 1 16 "Average Difference" HA 25 0.162 0.050 0.157 18289
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18289
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18289
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18289
96 1 16 "Average Difference" HN 25 0.372 -0.207 0.316 18289
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18289
98 1 17 "Average Difference" HA 25 0.185 0.039 0.184 18289
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18289
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18289
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18289
102 1 17 "Average Difference" HN 25 0.381 -0.196 0.334 18289
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18289
104 1 18 "Average Difference" HA 25 0.189 0.060 0.182 18289
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18289
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18289
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18289
108 1 18 "Average Difference" HN 25 0.388 -0.188 0.346 18289
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18289
110 1 19 "Average Difference" HA 25 0.188 0.063 0.181 18289
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18289
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18289
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18289
114 1 19 "Average Difference" HN 25 0.377 -0.200 0.327 18289
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18289
116 1 20 "Average Difference" HA 25 0.185 0.069 0.176 18289
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18289
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18289
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18289
120 1 20 "Average Difference" HN 25 0.339 -0.187 0.288 18289
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 18289
_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 LYS HA H 2 4.088 4.088 4.335 -0.247 18289
2 1 . 1 1 2 2 LYS H H 2 8.573 8.573 8.614 -0.041 18289
3 1 . 1 1 3 3 GLY H H 3 8.410 8.410 8.508 -0.098 18289
4 1 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.154 -0.033 18289
5 1 . 1 1 4 4 ARG H H 4 8.040 8.040 7.798 0.242 18289
6 1 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.091 -0.008 18289
7 1 . 1 1 5 5 ILE H H 5 7.903 7.903 7.698 0.205 18289
8 1 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.370 0.037 18289
9 1 . 1 1 6 6 ASP H H 6 8.402 8.402 8.218 0.184 18289
10 1 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.243 0.076 18289
11 1 . 1 1 7 7 ALA H H 7 8.013 8.013 7.758 0.255 18289
12 1 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.519 -0.172 18289
13 1 . 1 1 9 9 ASP H H 9 8.203 8.203 8.028 0.175 18289
14 1 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.335 0.301 18289
15 1 . 1 1 10 10 PHE H H 10 7.949 7.949 8.040 -0.091 18289
16 1 . 1 1 12 12 SER HA H 12 4.226 4.226 4.354 -0.129 18289
17 1 . 1 1 12 12 SER H H 12 8.255 8.255 7.675 0.580 18289
18 1 . 1 1 13 13 SER HA H 13 4.542 4.542 4.324 0.218 18289
19 1 . 1 1 13 13 SER H H 13 8.159 8.159 8.119 0.040 18289
20 1 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.194 -0.180 18289
21 1 . 1 1 15 15 ALA H H 15 8.166 8.166 7.426 0.740 18289
22 1 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.821 0.051 18289
23 1 . 1 1 16 16 ILE H H 16 7.965 7.965 8.464 -0.499 18289
24 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.190 -0.115 18289
25 1 . 1 1 17 17 LEU H H 17 8.181 8.181 8.196 -0.015 18289
26 1 . 1 1 18 18 GLY H H 18 8.215 8.215 7.830 0.385 18289
27 1 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.193 -0.115 18289
28 1 . 1 1 19 19 LYS H H 19 7.975 7.975 7.935 0.040 18289
29 1 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.166 -0.188 18289
30 1 . 1 1 20 20 ALA H H 20 8.210 8.210 7.817 0.393 18289
31 1 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.121 -0.220 18289
32 1 . 1 1 21 21 ALA H H 21 8.187 8.187 7.717 0.470 18289
33 1 . 1 1 22 22 THR HA H 22 4.529 4.529 4.149 0.379 18289
34 1 . 1 1 22 22 THR H H 22 8.406 8.406 7.611 0.795 18289
35 1 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.569 -0.100 18289
36 1 . 1 1 23 23 ASP H H 23 8.209 8.209 8.133 0.076 18289
37 1 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.841 -0.012 18289
38 1 . 1 1 24 24 VAL H H 24 7.900 7.900 7.780 0.120 18289
39 1 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.789 -0.018 18289
40 1 . 1 1 25 25 VAL H H 25 8.047 8.047 7.508 0.539 18289
41 1 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.312 -0.352 18289
42 1 . 1 1 26 26 ALA H H 26 8.187 8.187 7.682 0.505 18289
43 1 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.184 -0.181 18289
44 1 . 1 1 27 27 ALA H H 27 8.052 8.052 8.090 -0.038 18289
45 1 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.385 -0.032 18289
46 1 . 1 1 28 28 TRP H H 28 7.869 7.869 8.039 -0.170 18289
47 1 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.106 -0.108 18289
48 1 . 1 1 29 29 LYS H H 29 7.684 7.684 7.754 -0.070 18289
stop_
save_