data_18114
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18114
_Entry.PDB_ID 2LMF
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 18114
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.104 0.049 18114
2 1 1 . 1 1 2 2 LEU H H 2 9.421 9.421 8.503 0.918 18114
3 1 1 . 1 1 3 3 GLY N N 3 107.592 107.592 104.856 2.736 18114
4 1 1 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.619 -0.160 18114
5 1 1 . 1 1 3 3 GLY H H 3 9.085 9.085 8.650 0.435 18114
6 1 1 . 1 1 4 4 ASP N N 4 121.275 121.275 122.634 -1.359 18114
7 1 1 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.539 -0.001 18114
8 1 1 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.622 0.266 18114
9 1 1 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.562 0.452 18114
10 1 1 . 1 1 4 4 ASP H H 4 8.089 8.089 8.188 -0.099 18114
11 1 1 . 1 1 5 5 PHE N N 5 120.407 120.407 121.497 -1.090 18114
12 1 1 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.026 0.170 18114
13 1 1 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.267 0.254 18114
14 1 1 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.834 0.349 18114
15 1 1 . 1 1 5 5 PHE H H 5 8.188 8.188 8.498 -0.310 18114
16 1 1 . 1 1 6 6 PHE N N 6 119.753 119.753 118.843 0.910 18114
17 1 1 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.792 0.309 18114
18 1 1 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.090 -0.031 18114
19 1 1 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.671 0.527 18114
20 1 1 . 1 1 6 6 PHE H H 6 8.623 8.623 8.082 0.541 18114
21 1 1 . 1 1 7 7 ARG N N 7 119.218 119.218 120.082 -0.864 18114
22 1 1 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.872 -0.038 18114
23 1 1 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.817 0.468 18114
24 1 1 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.801 0.547 18114
25 1 1 . 1 1 7 7 ARG H H 7 8.209 8.209 8.038 0.171 18114
26 1 1 . 1 1 8 8 LYS N N 8 118.092 118.092 118.994 -0.902 18114
27 1 1 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.045 0.073 18114
28 1 1 . 1 1 8 8 LYS H H 8 8.194 8.194 7.633 0.561 18114
29 1 1 . 1 1 9 9 SER N N 9 115.745 115.745 115.925 -0.180 18114
30 1 1 . 1 1 9 9 SER HA H 9 4.161 4.161 4.127 0.034 18114
31 1 1 . 1 1 9 9 SER CB C 9 63.069 63.069 62.222 0.847 18114
32 1 1 . 1 1 9 9 SER H H 9 7.930 7.930 7.564 0.366 18114
33 1 1 . 1 1 10 10 LYS N N 10 121.966 121.966 122.156 -0.190 18114
34 1 1 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.983 -0.292 18114
35 1 1 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.472 1.035 18114
36 1 1 . 1 1 10 10 LYS H H 10 7.994 7.994 8.990 -0.996 18114
37 1 1 . 1 1 11 11 GLU N N 11 118.796 118.796 119.237 -0.441 18114
38 1 1 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.082 -0.043 18114
39 1 1 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.442 -0.189 18114
40 1 1 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.486 -0.319 18114
41 1 1 . 1 1 11 11 GLU H H 11 8.001 8.001 7.802 0.199 18114
42 1 1 . 1 1 12 12 LYS N N 12 119.513 119.513 119.933 -0.420 18114
43 1 1 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.111 0.003 18114
44 1 1 . 1 1 12 12 LYS CA C 12 58.776 58.776 58.891 -0.115 18114
45 1 1 . 1 1 12 12 LYS H H 12 7.873 7.873 7.432 0.441 18114
46 1 1 . 1 1 13 13 ILE N N 13 118.338 118.338 119.781 -1.443 18114
47 1 1 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.856 -0.174 18114
48 1 1 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.262 -0.165 18114
49 1 1 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.676 0.573 18114
50 1 1 . 1 1 13 13 ILE H H 13 8.331 8.331 8.945 -0.614 18114
51 1 1 . 1 1 14 14 GLY N N 14 106.788 106.788 108.608 -1.820 18114
52 1 1 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.605 0.010 18114
53 1 1 . 1 1 14 14 GLY H H 14 8.393 8.393 8.670 -0.277 18114
54 1 1 . 1 1 15 15 LYS N N 15 120.539 120.539 121.192 -0.653 18114
55 1 1 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.157 -0.080 18114
56 1 1 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.185 0.503 18114
57 1 1 . 1 1 15 15 LYS H H 15 7.893 7.893 7.696 0.197 18114
58 1 1 . 1 1 16 16 GLU N N 16 118.979 118.979 120.359 -1.380 18114
59 1 1 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.100 0.314 18114
60 1 1 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.372 -1.504 18114
61 1 1 . 1 1 16 16 GLU CB C 16 28.991 28.991 30.046 -1.054 18114
62 1 1 . 1 1 16 16 GLU H H 16 8.017 8.017 7.769 0.248 18114
63 1 1 . 1 1 17 17 PHE N N 17 119.566 119.566 119.473 0.093 18114
64 1 1 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.316 -0.150 18114
65 1 1 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.327 1.232 18114
66 1 1 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.011 0.185 18114
67 1 1 . 1 1 17 17 PHE H H 17 8.639 8.639 9.287 -0.648 18114
68 1 1 . 1 1 18 18 LYS N N 18 116.861 116.861 118.787 -1.926 18114
69 1 1 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.611 0.260 18114
70 1 1 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.663 0.575 18114
71 1 1 . 1 1 18 18 LYS H H 18 7.920 7.920 7.967 -0.047 18114
72 1 1 . 1 1 19 19 ARG N N 19 117.527 117.527 116.979 0.548 18114
73 1 1 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.278 -0.210 18114
74 1 1 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.071 0.657 18114
75 1 1 . 1 1 19 19 ARG H H 19 7.617 7.617 7.562 0.055 18114
76 1 1 . 1 1 20 20 ILE N N 20 117.280 117.280 116.923 0.357 18114
77 1 1 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.189 -0.357 18114
78 1 1 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.548 -12.473 18114
79 1 1 . 1 1 20 20 ILE H H 20 7.847 7.847 7.683 0.164 18114
80 1 1 . 1 1 21 21 VAL N N 21 114.417 114.417 122.017 -7.600 18114
81 1 1 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.178 -0.179 18114
82 1 1 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.351 2.532 18114
83 1 1 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.391 1.404 18114
84 1 1 . 1 1 21 21 VAL H H 21 7.639 7.639 7.400 0.239 18114
85 1 1 . 1 1 22 22 GLN N N 22 120.385 120.385 122.418 -2.033 18114
86 1 1 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.010 0.215 18114
87 1 1 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.602 -0.368 18114
88 1 1 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.143 1.801 18114
89 1 1 . 1 1 22 22 GLN H H 22 7.663 7.663 7.543 0.120 18114
90 1 2 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.764 -0.611 18114
91 1 2 . 1 1 2 2 LEU H H 2 9.421 9.421 8.018 1.403 18114
92 1 2 . 1 1 3 3 GLY N N 3 107.592 107.592 107.942 -0.350 18114
93 1 2 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.778 -0.319 18114
94 1 2 . 1 1 3 3 GLY H H 3 9.085 9.085 8.666 0.419 18114
95 1 2 . 1 1 4 4 ASP N N 4 121.275 121.275 121.625 -0.350 18114
96 1 2 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.484 0.054 18114
97 1 2 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.467 0.421 18114
98 1 2 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.002 1.012 18114
99 1 2 . 1 1 4 4 ASP H H 4 8.089 8.089 8.743 -0.654 18114
100 1 2 . 1 1 5 5 PHE N N 5 120.407 120.407 121.615 -1.208 18114
101 1 2 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.059 0.137 18114
102 1 2 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.227 0.295 18114
103 1 2 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.789 0.394 18114
104 1 2 . 1 1 5 5 PHE H H 5 8.188 8.188 8.512 -0.324 18114
105 1 2 . 1 1 6 6 PHE N N 6 119.753 119.753 119.260 0.493 18114
106 1 2 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.703 0.398 18114
107 1 2 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.026 -0.967 18114
108 1 2 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.520 0.678 18114
109 1 2 . 1 1 6 6 PHE H H 6 8.623 8.623 8.180 0.443 18114
110 1 2 . 1 1 7 7 ARG N N 7 119.218 119.218 119.991 -0.773 18114
111 1 2 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.863 -0.029 18114
112 1 2 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.877 0.408 18114
113 1 2 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.859 0.489 18114
114 1 2 . 1 1 7 7 ARG H H 7 8.209 8.209 8.160 0.049 18114
115 1 2 . 1 1 8 8 LYS N N 8 118.092 118.092 118.718 -0.626 18114
116 1 2 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.178 -0.060 18114
117 1 2 . 1 1 8 8 LYS H H 8 8.194 8.194 7.851 0.343 18114
118 1 2 . 1 1 9 9 SER N N 9 115.745 115.745 116.837 -1.092 18114
119 1 2 . 1 1 9 9 SER HA H 9 4.161 4.161 4.045 0.116 18114
120 1 2 . 1 1 9 9 SER CB C 9 63.069 63.069 62.611 0.458 18114
121 1 2 . 1 1 9 9 SER H H 9 7.930 7.930 7.938 -0.008 18114
122 1 2 . 1 1 10 10 LYS N N 10 121.966 121.966 121.765 0.201 18114
123 1 2 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.897 -0.206 18114
124 1 2 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.865 0.642 18114
125 1 2 . 1 1 10 10 LYS H H 10 7.994 7.994 8.868 -0.874 18114
126 1 2 . 1 1 11 11 GLU N N 11 118.796 118.796 119.060 -0.264 18114
127 1 2 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.034 0.005 18114
128 1 2 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.313 -0.061 18114
129 1 2 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.581 -0.414 18114
130 1 2 . 1 1 11 11 GLU H H 11 8.001 8.001 7.763 0.238 18114
131 1 2 . 1 1 12 12 LYS N N 12 119.513 119.513 120.712 -1.199 18114
132 1 2 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.067 0.046 18114
133 1 2 . 1 1 12 12 LYS CA C 12 58.776 58.776 58.567 0.209 18114
134 1 2 . 1 1 12 12 LYS H H 12 7.873 7.873 7.564 0.309 18114
135 1 2 . 1 1 13 13 ILE N N 13 118.338 118.338 118.773 -0.435 18114
136 1 2 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.815 -0.133 18114
137 1 2 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.224 -0.127 18114
138 1 2 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.548 0.701 18114
139 1 2 . 1 1 13 13 ILE H H 13 8.331 8.331 8.717 -0.386 18114
140 1 2 . 1 1 14 14 GLY N N 14 106.788 106.788 109.153 -2.365 18114
141 1 2 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.546 0.069 18114
142 1 2 . 1 1 14 14 GLY H H 14 8.393 8.393 8.217 0.176 18114
143 1 2 . 1 1 15 15 LYS N N 15 120.539 120.539 121.953 -1.414 18114
144 1 2 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.105 -0.028 18114
145 1 2 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.452 0.236 18114
146 1 2 . 1 1 15 15 LYS H H 15 7.893 7.893 7.672 0.221 18114
147 1 2 . 1 1 16 16 GLU N N 16 118.979 118.979 120.008 -1.029 18114
148 1 2 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.053 0.361 18114
149 1 2 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.240 -1.373 18114
150 1 2 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.531 -0.540 18114
151 1 2 . 1 1 16 16 GLU H H 16 8.017 8.017 7.665 0.352 18114
152 1 2 . 1 1 17 17 PHE N N 17 119.566 119.566 121.438 -1.872 18114
153 1 2 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.092 0.074 18114
154 1 2 . 1 1 17 17 PHE CA C 17 61.559 61.559 62.009 -0.450 18114
155 1 2 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.165 0.031 18114
156 1 2 . 1 1 17 17 PHE H H 17 8.639 8.639 9.307 -0.668 18114
157 1 2 . 1 1 18 18 LYS N N 18 116.861 116.861 118.164 -1.303 18114
158 1 2 . 1 1 18 18 LYS HA H 18 3.871 3.871 4.074 -0.203 18114
159 1 2 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.082 0.156 18114
160 1 2 . 1 1 18 18 LYS H H 18 7.920 7.920 8.144 -0.224 18114
161 1 2 . 1 1 19 19 ARG N N 19 117.527 117.527 118.108 -0.581 18114
162 1 2 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.148 -0.080 18114
163 1 2 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.576 0.152 18114
164 1 2 . 1 1 19 19 ARG H H 19 7.617 7.617 7.406 0.211 18114
165 1 2 . 1 1 20 20 ILE N N 20 117.280 117.280 118.954 -1.674 18114
166 1 2 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.825 0.007 18114
167 1 2 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.950 -12.875 18114
168 1 2 . 1 1 20 20 ILE H H 20 7.847 7.847 8.464 -0.617 18114
169 1 2 . 1 1 21 21 VAL N N 21 114.417 114.417 120.050 -5.633 18114
170 1 2 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.914 0.085 18114
171 1 2 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.448 1.435 18114
172 1 2 . 1 1 21 21 VAL CB C 21 31.795 31.795 29.984 1.811 18114
173 1 2 . 1 1 21 21 VAL H H 21 7.639 7.639 7.993 -0.354 18114
174 1 2 . 1 1 22 22 GLN N N 22 120.385 120.385 128.764 -8.379 18114
175 1 2 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.169 0.056 18114
176 1 2 . 1 1 22 22 GLN CA C 22 56.234 56.234 55.804 0.430 18114
177 1 2 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.712 2.232 18114
178 1 2 . 1 1 22 22 GLN H H 22 7.663 7.663 8.660 -0.997 18114
179 1 3 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.622 -0.469 18114
180 1 3 . 1 1 2 2 LEU H H 2 9.421 9.421 8.221 1.200 18114
181 1 3 . 1 1 3 3 GLY N N 3 107.592 107.592 107.471 0.121 18114
182 1 3 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.692 -0.233 18114
183 1 3 . 1 1 3 3 GLY H H 3 9.085 9.085 8.575 0.510 18114
184 1 3 . 1 1 4 4 ASP N N 4 121.275 121.275 122.266 -0.991 18114
185 1 3 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.514 0.024 18114
186 1 3 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.641 0.247 18114
187 1 3 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.686 0.328 18114
188 1 3 . 1 1 4 4 ASP H H 4 8.089 8.089 8.572 -0.483 18114
189 1 3 . 1 1 5 5 PHE N N 5 120.407 120.407 121.088 -0.681 18114
190 1 3 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.081 0.115 18114
191 1 3 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.151 0.371 18114
192 1 3 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.399 0.784 18114
193 1 3 . 1 1 5 5 PHE H H 5 8.188 8.188 8.706 -0.518 18114
194 1 3 . 1 1 6 6 PHE N N 6 119.753 119.753 119.512 0.241 18114
195 1 3 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.159 0.942 18114
196 1 3 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.827 -0.768 18114
197 1 3 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.254 0.945 18114
198 1 3 . 1 1 6 6 PHE H H 6 8.623 8.623 7.842 0.781 18114
199 1 3 . 1 1 7 7 ARG N N 7 119.218 119.218 118.332 0.886 18114
200 1 3 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.912 -0.078 18114
201 1 3 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.039 0.246 18114
202 1 3 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.915 0.433 18114
203 1 3 . 1 1 7 7 ARG H H 7 8.209 8.209 8.003 0.206 18114
204 1 3 . 1 1 8 8 LYS N N 8 118.092 118.092 119.240 -1.148 18114
205 1 3 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.046 0.072 18114
206 1 3 . 1 1 8 8 LYS H H 8 8.194 8.194 7.466 0.728 18114
207 1 3 . 1 1 9 9 SER N N 9 115.745 115.745 117.546 -1.801 18114
208 1 3 . 1 1 9 9 SER HA H 9 4.161 4.161 4.090 0.071 18114
209 1 3 . 1 1 9 9 SER CB C 9 63.069 63.069 62.757 0.312 18114
210 1 3 . 1 1 9 9 SER H H 9 7.930 7.930 8.066 -0.136 18114
211 1 3 . 1 1 10 10 LYS N N 10 121.966 121.966 122.024 -0.058 18114
212 1 3 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.930 -0.239 18114
213 1 3 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.534 0.973 18114
214 1 3 . 1 1 10 10 LYS H H 10 7.994 7.994 8.839 -0.845 18114
215 1 3 . 1 1 11 11 GLU N N 11 118.796 118.796 118.560 0.236 18114
216 1 3 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.091 -0.052 18114
217 1 3 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.695 -0.442 18114
218 1 3 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.426 -0.259 18114
219 1 3 . 1 1 11 11 GLU H H 11 8.001 8.001 7.815 0.186 18114
220 1 3 . 1 1 12 12 LYS N N 12 119.513 119.513 120.643 -1.130 18114
221 1 3 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.105 0.009 18114
222 1 3 . 1 1 12 12 LYS CA C 12 58.776 58.776 58.925 -0.149 18114
223 1 3 . 1 1 12 12 LYS H H 12 7.873 7.873 7.607 0.266 18114
224 1 3 . 1 1 13 13 ILE N N 13 118.338 118.338 119.038 -0.700 18114
225 1 3 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.902 -0.220 18114
226 1 3 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.995 0.102 18114
227 1 3 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.618 0.631 18114
228 1 3 . 1 1 13 13 ILE H H 13 8.331 8.331 8.919 -0.588 18114
229 1 3 . 1 1 14 14 GLY N N 14 106.788 106.788 108.801 -2.013 18114
230 1 3 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.647 -0.032 18114
231 1 3 . 1 1 14 14 GLY H H 14 8.393 8.393 8.602 -0.209 18114
232 1 3 . 1 1 15 15 LYS N N 15 120.539 120.539 121.919 -1.380 18114
233 1 3 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.089 -0.012 18114
234 1 3 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.520 0.168 18114
235 1 3 . 1 1 15 15 LYS H H 15 7.893 7.893 7.681 0.212 18114
236 1 3 . 1 1 16 16 GLU N N 16 118.979 118.979 120.330 -1.351 18114
237 1 3 . 1 1 16 16 GLU HA H 16 4.414 4.414 3.989 0.425 18114
238 1 3 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.389 -1.521 18114
239 1 3 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.758 -0.767 18114
240 1 3 . 1 1 16 16 GLU H H 16 8.017 8.017 7.769 0.248 18114
241 1 3 . 1 1 17 17 PHE N N 17 119.566 119.566 121.117 -1.551 18114
242 1 3 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.098 0.068 18114
243 1 3 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.487 0.072 18114
244 1 3 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.063 0.133 18114
245 1 3 . 1 1 17 17 PHE H H 17 8.639 8.639 9.245 -0.606 18114
246 1 3 . 1 1 18 18 LYS N N 18 116.861 116.861 117.563 -0.702 18114
247 1 3 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.828 0.043 18114
248 1 3 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.168 0.070 18114
249 1 3 . 1 1 18 18 LYS H H 18 7.920 7.920 8.311 -0.391 18114
250 1 3 . 1 1 19 19 ARG N N 19 117.527 117.527 117.316 0.211 18114
251 1 3 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.146 -0.078 18114
252 1 3 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.009 0.719 18114
253 1 3 . 1 1 19 19 ARG H H 19 7.617 7.617 7.496 0.121 18114
254 1 3 . 1 1 20 20 ILE N N 20 117.280 117.280 119.829 -2.549 18114
255 1 3 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.868 -0.036 18114
256 1 3 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.285 -12.210 18114
257 1 3 . 1 1 20 20 ILE H H 20 7.847 7.847 8.195 -0.348 18114
258 1 3 . 1 1 21 21 VAL N N 21 114.417 114.417 120.325 -5.908 18114
259 1 3 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.117 -0.118 18114
260 1 3 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.215 2.668 18114
261 1 3 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.138 0.657 18114
262 1 3 . 1 1 21 21 VAL H H 21 7.639 7.639 8.122 -0.483 18114
263 1 3 . 1 1 22 22 GLN N N 22 120.385 120.385 125.560 -5.175 18114
264 1 3 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.301 -0.076 18114
265 1 3 . 1 1 22 22 GLN CA C 22 56.234 56.234 55.196 1.038 18114
266 1 3 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.666 1.278 18114
267 1 3 . 1 1 22 22 GLN H H 22 7.663 7.663 8.304 -0.641 18114
268 1 4 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.235 -0.082 18114
269 1 4 . 1 1 2 2 LEU H H 2 9.421 9.421 8.453 0.968 18114
270 1 4 . 1 1 3 3 GLY N N 3 107.592 107.592 105.321 2.271 18114
271 1 4 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.803 -0.344 18114
272 1 4 . 1 1 3 3 GLY H H 3 9.085 9.085 8.794 0.291 18114
273 1 4 . 1 1 4 4 ASP N N 4 121.275 121.275 122.754 -1.479 18114
274 1 4 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.420 0.118 18114
275 1 4 . 1 1 4 4 ASP CA C 4 56.888 56.888 57.319 -0.430 18114
276 1 4 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.714 0.300 18114
277 1 4 . 1 1 4 4 ASP H H 4 8.089 8.089 7.564 0.525 18114
278 1 4 . 1 1 5 5 PHE N N 5 120.407 120.407 121.491 -1.084 18114
279 1 4 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.066 0.131 18114
280 1 4 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.224 0.298 18114
281 1 4 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.549 0.634 18114
282 1 4 . 1 1 5 5 PHE H H 5 8.188 8.188 8.758 -0.570 18114
283 1 4 . 1 1 6 6 PHE N N 6 119.753 119.753 119.554 0.199 18114
284 1 4 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.109 0.992 18114
285 1 4 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.158 -1.099 18114
286 1 4 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.278 0.920 18114
287 1 4 . 1 1 6 6 PHE H H 6 8.623 8.623 7.869 0.754 18114
288 1 4 . 1 1 7 7 ARG N N 7 119.218 119.218 118.682 0.536 18114
289 1 4 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.817 0.017 18114
290 1 4 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.901 0.384 18114
291 1 4 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.748 0.600 18114
292 1 4 . 1 1 7 7 ARG H H 7 8.209 8.209 7.887 0.322 18114
293 1 4 . 1 1 8 8 LYS N N 8 118.092 118.092 119.418 -1.326 18114
294 1 4 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.180 -0.062 18114
295 1 4 . 1 1 8 8 LYS H H 8 8.194 8.194 7.618 0.576 18114
296 1 4 . 1 1 9 9 SER N N 9 115.745 115.745 116.465 -0.720 18114
297 1 4 . 1 1 9 9 SER HA H 9 4.161 4.161 4.067 0.094 18114
298 1 4 . 1 1 9 9 SER CB C 9 63.069 63.069 62.455 0.614 18114
299 1 4 . 1 1 9 9 SER H H 9 7.930 7.930 8.266 -0.336 18114
300 1 4 . 1 1 10 10 LYS N N 10 121.966 121.966 122.133 -0.167 18114
301 1 4 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.891 -0.200 18114
302 1 4 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.865 0.642 18114
303 1 4 . 1 1 10 10 LYS H H 10 7.994 7.994 8.835 -0.841 18114
304 1 4 . 1 1 11 11 GLU N N 11 118.796 118.796 119.161 -0.365 18114
305 1 4 . 1 1 11 11 GLU HA H 11 4.039 4.039 3.995 0.044 18114
306 1 4 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.403 -0.150 18114
307 1 4 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.509 -0.342 18114
308 1 4 . 1 1 11 11 GLU H H 11 8.001 8.001 7.740 0.261 18114
309 1 4 . 1 1 12 12 LYS N N 12 119.513 119.513 120.287 -0.774 18114
310 1 4 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.017 0.097 18114
311 1 4 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.402 -0.626 18114
312 1 4 . 1 1 12 12 LYS H H 12 7.873 7.873 7.516 0.357 18114
313 1 4 . 1 1 13 13 ILE N N 13 118.338 118.338 118.958 -0.620 18114
314 1 4 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.815 -0.133 18114
315 1 4 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.004 0.093 18114
316 1 4 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.639 0.610 18114
317 1 4 . 1 1 13 13 ILE H H 13 8.331 8.331 8.775 -0.444 18114
318 1 4 . 1 1 14 14 GLY N N 14 106.788 106.788 109.239 -2.451 18114
319 1 4 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.557 0.058 18114
320 1 4 . 1 1 14 14 GLY H H 14 8.393 8.393 8.500 -0.107 18114
321 1 4 . 1 1 15 15 LYS N N 15 120.539 120.539 121.772 -1.233 18114
322 1 4 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.109 -0.032 18114
323 1 4 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.410 0.278 18114
324 1 4 . 1 1 15 15 LYS H H 15 7.893 7.893 7.655 0.238 18114
325 1 4 . 1 1 16 16 GLU N N 16 118.979 118.979 120.652 -1.673 18114
326 1 4 . 1 1 16 16 GLU HA H 16 4.414 4.414 3.997 0.417 18114
327 1 4 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.327 -1.458 18114
328 1 4 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.706 -0.715 18114
329 1 4 . 1 1 16 16 GLU H H 16 8.017 8.017 7.656 0.361 18114
330 1 4 . 1 1 17 17 PHE N N 17 119.566 119.566 120.587 -1.021 18114
331 1 4 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.077 0.089 18114
332 1 4 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.696 -0.137 18114
333 1 4 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.135 0.061 18114
334 1 4 . 1 1 17 17 PHE H H 17 8.639 8.639 9.337 -0.698 18114
335 1 4 . 1 1 18 18 LYS N N 18 116.861 116.861 119.503 -2.642 18114
336 1 4 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.976 -0.105 18114
337 1 4 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.172 0.066 18114
338 1 4 . 1 1 18 18 LYS H H 18 7.920 7.920 7.736 0.184 18114
339 1 4 . 1 1 19 19 ARG N N 19 117.527 117.527 118.265 -0.738 18114
340 1 4 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.010 0.058 18114
341 1 4 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.832 -0.104 18114
342 1 4 . 1 1 19 19 ARG H H 19 7.617 7.617 7.777 -0.160 18114
343 1 4 . 1 1 20 20 ILE N N 20 117.280 117.280 117.249 0.031 18114
344 1 4 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.009 -0.177 18114
345 1 4 . 1 1 20 20 ILE CA C 20 51.075 51.075 62.935 -11.860 18114
346 1 4 . 1 1 20 20 ILE H H 20 7.847 7.847 7.964 -0.117 18114
347 1 4 . 1 1 21 21 VAL N N 21 114.417 114.417 118.730 -4.313 18114
348 1 4 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.822 0.177 18114
349 1 4 . 1 1 21 21 VAL CA C 21 62.883 62.883 62.586 0.297 18114
350 1 4 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.640 1.155 18114
351 1 4 . 1 1 21 21 VAL H H 21 7.639 7.639 7.999 -0.360 18114
352 1 4 . 1 1 22 22 GLN N N 22 120.385 120.385 118.242 2.143 18114
353 1 4 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.380 -0.155 18114
354 1 4 . 1 1 22 22 GLN CA C 22 56.234 56.234 55.443 0.791 18114
355 1 4 . 1 1 22 22 GLN CB C 22 28.944 28.944 29.250 -0.306 18114
356 1 4 . 1 1 22 22 GLN H H 22 7.663 7.663 7.988 -0.325 18114
357 1 5 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.581 -0.428 18114
358 1 5 . 1 1 2 2 LEU H H 2 9.421 9.421 8.365 1.056 18114
359 1 5 . 1 1 3 3 GLY N N 3 107.592 107.592 107.201 0.391 18114
360 1 5 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.681 -0.222 18114
361 1 5 . 1 1 3 3 GLY H H 3 9.085 9.085 8.565 0.520 18114
362 1 5 . 1 1 4 4 ASP N N 4 121.275 121.275 122.090 -0.815 18114
363 1 5 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.486 0.052 18114
364 1 5 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.626 0.262 18114
365 1 5 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.695 0.319 18114
366 1 5 . 1 1 4 4 ASP H H 4 8.089 8.089 8.544 -0.455 18114
367 1 5 . 1 1 5 5 PHE N N 5 120.407 120.407 120.665 -0.258 18114
368 1 5 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.093 0.103 18114
369 1 5 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.169 0.353 18114
370 1 5 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.602 0.581 18114
371 1 5 . 1 1 5 5 PHE H H 5 8.188 8.188 8.797 -0.609 18114
372 1 5 . 1 1 6 6 PHE N N 6 119.753 119.753 119.582 0.171 18114
373 1 5 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.103 0.998 18114
374 1 5 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.102 -1.044 18114
375 1 5 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.303 0.895 18114
376 1 5 . 1 1 6 6 PHE H H 6 8.623 8.623 7.778 0.845 18114
377 1 5 . 1 1 7 7 ARG N N 7 119.218 119.218 118.898 0.320 18114
378 1 5 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.813 0.021 18114
379 1 5 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.953 0.332 18114
380 1 5 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.847 0.501 18114
381 1 5 . 1 1 7 7 ARG H H 7 8.209 8.209 7.906 0.303 18114
382 1 5 . 1 1 8 8 LYS N N 8 118.092 118.092 119.045 -0.953 18114
383 1 5 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.424 -0.306 18114
384 1 5 . 1 1 8 8 LYS H H 8 8.194 8.194 7.636 0.558 18114
385 1 5 . 1 1 9 9 SER N N 9 115.745 115.745 116.142 -0.397 18114
386 1 5 . 1 1 9 9 SER HA H 9 4.161 4.161 4.083 0.078 18114
387 1 5 . 1 1 9 9 SER CB C 9 63.069 63.069 62.431 0.638 18114
388 1 5 . 1 1 9 9 SER H H 9 7.930 7.930 8.134 -0.204 18114
389 1 5 . 1 1 10 10 LYS N N 10 121.966 121.966 121.512 0.454 18114
390 1 5 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.863 -0.172 18114
391 1 5 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.971 0.536 18114
392 1 5 . 1 1 10 10 LYS H H 10 7.994 7.994 8.689 -0.695 18114
393 1 5 . 1 1 11 11 GLU N N 11 118.796 118.796 118.566 0.230 18114
394 1 5 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.006 0.033 18114
395 1 5 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.652 -0.399 18114
396 1 5 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.327 -0.160 18114
397 1 5 . 1 1 11 11 GLU H H 11 8.001 8.001 7.781 0.220 18114
398 1 5 . 1 1 12 12 LYS N N 12 119.513 119.513 120.224 -0.711 18114
399 1 5 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.072 0.042 18114
400 1 5 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.213 -0.437 18114
401 1 5 . 1 1 12 12 LYS H H 12 7.873 7.873 7.284 0.589 18114
402 1 5 . 1 1 13 13 ILE N N 13 118.338 118.338 119.714 -1.376 18114
403 1 5 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.742 -0.060 18114
404 1 5 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.162 -0.064 18114
405 1 5 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.629 0.620 18114
406 1 5 . 1 1 13 13 ILE H H 13 8.331 8.331 8.426 -0.095 18114
407 1 5 . 1 1 14 14 GLY N N 14 106.788 106.788 108.535 -1.747 18114
408 1 5 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.705 -0.090 18114
409 1 5 . 1 1 14 14 GLY H H 14 8.393 8.393 8.647 -0.254 18114
410 1 5 . 1 1 15 15 LYS N N 15 120.539 120.539 121.297 -0.758 18114
411 1 5 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.256 -0.179 18114
412 1 5 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.145 0.543 18114
413 1 5 . 1 1 15 15 LYS H H 15 7.893 7.893 7.743 0.150 18114
414 1 5 . 1 1 16 16 GLU N N 16 118.979 118.979 120.255 -1.276 18114
415 1 5 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.183 0.231 18114
416 1 5 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.266 -1.397 18114
417 1 5 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.999 -1.008 18114
418 1 5 . 1 1 16 16 GLU H H 16 8.017 8.017 8.092 -0.075 18114
419 1 5 . 1 1 17 17 PHE N N 17 119.566 119.566 119.823 -0.257 18114
420 1 5 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.410 -0.244 18114
421 1 5 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.224 1.335 18114
422 1 5 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.112 0.084 18114
423 1 5 . 1 1 17 17 PHE H H 17 8.639 8.639 9.127 -0.488 18114
424 1 5 . 1 1 18 18 LYS N N 18 116.861 116.861 118.942 -2.081 18114
425 1 5 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.269 0.602 18114
426 1 5 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.812 0.426 18114
427 1 5 . 1 1 18 18 LYS H H 18 7.920 7.920 8.305 -0.385 18114
428 1 5 . 1 1 19 19 ARG N N 19 117.527 117.527 118.299 -0.772 18114
429 1 5 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.145 -0.077 18114
430 1 5 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.436 0.292 18114
431 1 5 . 1 1 19 19 ARG H H 19 7.617 7.617 7.453 0.164 18114
432 1 5 . 1 1 20 20 ILE N N 20 117.280 117.280 120.404 -3.124 18114
433 1 5 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.917 -0.085 18114
434 1 5 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.898 -12.823 18114
435 1 5 . 1 1 20 20 ILE H H 20 7.847 7.847 7.673 0.174 18114
436 1 5 . 1 1 21 21 VAL N N 21 114.417 114.417 120.816 -6.399 18114
437 1 5 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.086 -0.087 18114
438 1 5 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.432 2.451 18114
439 1 5 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.118 0.677 18114
440 1 5 . 1 1 21 21 VAL H H 21 7.639 7.639 7.777 -0.138 18114
441 1 5 . 1 1 22 22 GLN N N 22 120.385 120.385 123.316 -2.931 18114
442 1 5 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.089 0.136 18114
443 1 5 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.061 0.173 18114
444 1 5 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.680 1.264 18114
445 1 5 . 1 1 22 22 GLN H H 22 7.663 7.663 7.645 0.018 18114
446 1 6 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.856 -0.703 18114
447 1 6 . 1 1 2 2 LEU H H 2 9.421 9.421 7.955 1.466 18114
448 1 6 . 1 1 3 3 GLY N N 3 107.592 107.592 108.271 -0.679 18114
449 1 6 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.786 -0.327 18114
450 1 6 . 1 1 3 3 GLY H H 3 9.085 9.085 8.662 0.423 18114
451 1 6 . 1 1 4 4 ASP N N 4 121.275 121.275 121.611 -0.336 18114
452 1 6 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.482 0.056 18114
453 1 6 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.344 0.544 18114
454 1 6 . 1 1 4 4 ASP CB C 4 41.014 41.014 39.804 1.210 18114
455 1 6 . 1 1 4 4 ASP H H 4 8.089 8.089 8.719 -0.630 18114
456 1 6 . 1 1 5 5 PHE N N 5 120.407 120.407 121.483 -1.076 18114
457 1 6 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.068 0.128 18114
458 1 6 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.260 0.262 18114
459 1 6 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.828 0.355 18114
460 1 6 . 1 1 5 5 PHE H H 5 8.188 8.188 8.475 -0.287 18114
461 1 6 . 1 1 6 6 PHE N N 6 119.753 119.753 119.918 -0.165 18114
462 1 6 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.707 0.394 18114
463 1 6 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.020 0.039 18114
464 1 6 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.379 0.820 18114
465 1 6 . 1 1 6 6 PHE H H 6 8.623 8.623 8.039 0.584 18114
466 1 6 . 1 1 7 7 ARG N N 7 119.218 119.218 119.762 -0.544 18114
467 1 6 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.787 0.047 18114
468 1 6 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.103 0.182 18114
469 1 6 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.851 0.497 18114
470 1 6 . 1 1 7 7 ARG H H 7 8.209 8.209 8.058 0.151 18114
471 1 6 . 1 1 8 8 LYS N N 8 118.092 118.092 118.262 -0.170 18114
472 1 6 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.050 0.068 18114
473 1 6 . 1 1 8 8 LYS H H 8 8.194 8.194 7.590 0.604 18114
474 1 6 . 1 1 9 9 SER N N 9 115.745 115.745 116.353 -0.608 18114
475 1 6 . 1 1 9 9 SER HA H 9 4.161 4.161 3.971 0.190 18114
476 1 6 . 1 1 9 9 SER CB C 9 63.069 63.069 62.465 0.604 18114
477 1 6 . 1 1 9 9 SER H H 9 7.930 7.930 8.111 -0.181 18114
478 1 6 . 1 1 10 10 LYS N N 10 121.966 121.966 122.017 -0.051 18114
479 1 6 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.915 -0.224 18114
480 1 6 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.473 1.034 18114
481 1 6 . 1 1 10 10 LYS H H 10 7.994 7.994 8.862 -0.868 18114
482 1 6 . 1 1 11 11 GLU N N 11 118.796 118.796 119.216 -0.420 18114
483 1 6 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.028 0.011 18114
484 1 6 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.489 -0.236 18114
485 1 6 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.582 -0.415 18114
486 1 6 . 1 1 11 11 GLU H H 11 8.001 8.001 7.773 0.228 18114
487 1 6 . 1 1 12 12 LYS N N 12 119.513 119.513 120.190 -0.677 18114
488 1 6 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.037 0.077 18114
489 1 6 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.468 -0.692 18114
490 1 6 . 1 1 12 12 LYS H H 12 7.873 7.873 7.637 0.236 18114
491 1 6 . 1 1 13 13 ILE N N 13 118.338 118.338 120.211 -1.873 18114
492 1 6 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.849 -0.167 18114
493 1 6 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.421 -0.324 18114
494 1 6 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.809 0.440 18114
495 1 6 . 1 1 13 13 ILE H H 13 8.331 8.331 8.962 -0.631 18114
496 1 6 . 1 1 14 14 GLY N N 14 106.788 106.788 108.309 -1.521 18114
497 1 6 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.605 0.011 18114
498 1 6 . 1 1 14 14 GLY H H 14 8.393 8.393 8.489 -0.096 18114
499 1 6 . 1 1 15 15 LYS N N 15 120.539 120.539 121.269 -0.730 18114
500 1 6 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.210 -0.133 18114
501 1 6 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.112 0.576 18114
502 1 6 . 1 1 15 15 LYS H H 15 7.893 7.893 7.692 0.201 18114
503 1 6 . 1 1 16 16 GLU N N 16 118.979 118.979 120.660 -1.681 18114
504 1 6 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.142 0.272 18114
505 1 6 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.290 -1.422 18114
506 1 6 . 1 1 16 16 GLU CB C 16 28.991 28.991 30.051 -1.060 18114
507 1 6 . 1 1 16 16 GLU H H 16 8.017 8.017 8.194 -0.177 18114
508 1 6 . 1 1 17 17 PHE N N 17 119.566 119.566 120.094 -0.528 18114
509 1 6 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.349 -0.183 18114
510 1 6 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.065 1.494 18114
511 1 6 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.067 0.129 18114
512 1 6 . 1 1 17 17 PHE H H 17 8.639 8.639 9.316 -0.677 18114
513 1 6 . 1 1 18 18 LYS N N 18 116.861 116.861 120.741 -3.880 18114
514 1 6 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.520 0.351 18114
515 1 6 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.989 0.249 18114
516 1 6 . 1 1 18 18 LYS H H 18 7.920 7.920 7.797 0.123 18114
517 1 6 . 1 1 19 19 ARG N N 19 117.527 117.527 117.278 0.249 18114
518 1 6 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.195 -0.127 18114
519 1 6 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.089 0.639 18114
520 1 6 . 1 1 19 19 ARG H H 19 7.617 7.617 7.539 0.078 18114
521 1 6 . 1 1 20 20 ILE N N 20 117.280 117.280 119.900 -2.620 18114
522 1 6 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.943 -0.111 18114
523 1 6 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.754 -12.679 18114
524 1 6 . 1 1 20 20 ILE H H 20 7.847 7.847 7.987 -0.140 18114
525 1 6 . 1 1 21 21 VAL N N 21 114.417 114.417 120.851 -6.434 18114
526 1 6 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.946 0.053 18114
527 1 6 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.798 2.085 18114
528 1 6 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.934 0.861 18114
529 1 6 . 1 1 21 21 VAL H H 21 7.639 7.639 7.444 0.195 18114
530 1 6 . 1 1 22 22 GLN N N 22 120.385 120.385 121.802 -1.417 18114
531 1 6 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.887 0.338 18114
532 1 6 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.678 -0.444 18114
533 1 6 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.430 1.514 18114
534 1 6 . 1 1 22 22 GLN H H 22 7.663 7.663 7.325 0.338 18114
535 1 7 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.479 -0.326 18114
536 1 7 . 1 1 2 2 LEU H H 2 9.421 9.421 8.448 0.973 18114
537 1 7 . 1 1 3 3 GLY N N 3 107.592 107.592 107.100 0.492 18114
538 1 7 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.711 -0.252 18114
539 1 7 . 1 1 3 3 GLY H H 3 9.085 9.085 8.575 0.510 18114
540 1 7 . 1 1 4 4 ASP N N 4 121.275 121.275 122.323 -1.048 18114
541 1 7 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.506 0.032 18114
542 1 7 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.414 0.474 18114
543 1 7 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.619 0.395 18114
544 1 7 . 1 1 4 4 ASP H H 4 8.089 8.089 8.558 -0.469 18114
545 1 7 . 1 1 5 5 PHE N N 5 120.407 120.407 121.056 -0.649 18114
546 1 7 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.080 0.116 18114
547 1 7 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.167 0.354 18114
548 1 7 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.415 0.768 18114
549 1 7 . 1 1 5 5 PHE H H 5 8.188 8.188 8.675 -0.487 18114
550 1 7 . 1 1 6 6 PHE N N 6 119.753 119.753 119.661 0.092 18114
551 1 7 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.198 0.903 18114
552 1 7 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.777 -0.718 18114
553 1 7 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.164 1.034 18114
554 1 7 . 1 1 6 6 PHE H H 6 8.623 8.623 7.837 0.786 18114
555 1 7 . 1 1 7 7 ARG N N 7 119.218 119.218 118.316 0.902 18114
556 1 7 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.930 -0.096 18114
557 1 7 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.460 0.825 18114
558 1 7 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.596 0.752 18114
559 1 7 . 1 1 7 7 ARG H H 7 8.209 8.209 8.129 0.080 18114
560 1 7 . 1 1 8 8 LYS N N 8 118.092 118.092 119.531 -1.439 18114
561 1 7 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.199 -0.081 18114
562 1 7 . 1 1 8 8 LYS H H 8 8.194 8.194 7.599 0.595 18114
563 1 7 . 1 1 9 9 SER N N 9 115.745 115.745 115.708 0.037 18114
564 1 7 . 1 1 9 9 SER HA H 9 4.161 4.161 4.165 -0.004 18114
565 1 7 . 1 1 9 9 SER CB C 9 63.069 63.069 62.520 0.549 18114
566 1 7 . 1 1 9 9 SER H H 9 7.930 7.930 7.921 0.009 18114
567 1 7 . 1 1 10 10 LYS N N 10 121.966 121.966 121.285 0.681 18114
568 1 7 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.930 -0.239 18114
569 1 7 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.392 1.115 18114
570 1 7 . 1 1 10 10 LYS H H 10 7.994 7.994 8.787 -0.793 18114
571 1 7 . 1 1 11 11 GLU N N 11 118.796 118.796 118.650 0.146 18114
572 1 7 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.002 0.037 18114
573 1 7 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.641 -0.388 18114
574 1 7 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.429 -0.262 18114
575 1 7 . 1 1 11 11 GLU H H 11 8.001 8.001 7.712 0.289 18114
576 1 7 . 1 1 12 12 LYS N N 12 119.513 119.513 120.016 -0.503 18114
577 1 7 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.047 0.067 18114
578 1 7 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.300 -0.524 18114
579 1 7 . 1 1 12 12 LYS H H 12 7.873 7.873 7.262 0.611 18114
580 1 7 . 1 1 13 13 ILE N N 13 118.338 118.338 119.640 -1.302 18114
581 1 7 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.754 -0.072 18114
582 1 7 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.084 0.013 18114
583 1 7 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.597 0.652 18114
584 1 7 . 1 1 13 13 ILE H H 13 8.331 8.331 8.202 0.129 18114
585 1 7 . 1 1 14 14 GLY N N 14 106.788 106.788 108.438 -1.650 18114
586 1 7 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.597 0.018 18114
587 1 7 . 1 1 14 14 GLY H H 14 8.393 8.393 8.274 0.119 18114
588 1 7 . 1 1 15 15 LYS N N 15 120.539 120.539 121.696 -1.157 18114
589 1 7 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.196 -0.119 18114
590 1 7 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.162 0.526 18114
591 1 7 . 1 1 15 15 LYS H H 15 7.893 7.893 7.632 0.261 18114
592 1 7 . 1 1 16 16 GLU N N 16 118.979 118.979 120.393 -1.414 18114
593 1 7 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.063 0.351 18114
594 1 7 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.306 -1.438 18114
595 1 7 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.611 -0.620 18114
596 1 7 . 1 1 16 16 GLU H H 16 8.017 8.017 8.268 -0.251 18114
597 1 7 . 1 1 17 17 PHE N N 17 119.566 119.566 121.279 -1.713 18114
598 1 7 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.140 0.026 18114
599 1 7 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.745 -0.186 18114
600 1 7 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.072 0.124 18114
601 1 7 . 1 1 17 17 PHE H H 17 8.639 8.639 9.314 -0.675 18114
602 1 7 . 1 1 18 18 LYS N N 18 116.861 116.861 119.045 -2.184 18114
603 1 7 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.908 -0.037 18114
604 1 7 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.900 0.338 18114
605 1 7 . 1 1 18 18 LYS H H 18 7.920 7.920 7.895 0.025 18114
606 1 7 . 1 1 19 19 ARG N N 19 117.527 117.527 118.653 -1.126 18114
607 1 7 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.150 -0.082 18114
608 1 7 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.382 0.346 18114
609 1 7 . 1 1 19 19 ARG H H 19 7.617 7.617 7.562 0.055 18114
610 1 7 . 1 1 20 20 ILE N N 20 117.280 117.280 121.724 -4.444 18114
611 1 7 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.833 -0.001 18114
612 1 7 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.674 -13.599 18114
613 1 7 . 1 1 20 20 ILE H H 20 7.847 7.847 8.614 -0.767 18114
614 1 7 . 1 1 21 21 VAL N N 21 114.417 114.417 120.086 -5.669 18114
615 1 7 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.843 0.156 18114
616 1 7 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.799 1.084 18114
617 1 7 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.351 0.444 18114
618 1 7 . 1 1 21 21 VAL H H 21 7.639 7.639 7.805 -0.166 18114
619 1 7 . 1 1 22 22 GLN N N 22 120.385 120.385 117.178 3.207 18114
620 1 7 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.827 0.398 18114
621 1 7 . 1 1 22 22 GLN CA C 22 56.234 56.234 57.018 -0.784 18114
622 1 7 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.352 2.592 18114
623 1 7 . 1 1 22 22 GLN H H 22 7.663 7.663 7.784 -0.121 18114
624 1 8 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.339 -0.186 18114
625 1 8 . 1 1 2 2 LEU H H 2 9.421 9.421 8.487 0.934 18114
626 1 8 . 1 1 3 3 GLY N N 3 107.592 107.592 106.602 0.990 18114
627 1 8 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.655 -0.196 18114
628 1 8 . 1 1 3 3 GLY H H 3 9.085 9.085 8.569 0.516 18114
629 1 8 . 1 1 4 4 ASP N N 4 121.275 121.275 122.346 -1.071 18114
630 1 8 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.405 0.133 18114
631 1 8 . 1 1 4 4 ASP CA C 4 56.888 56.888 57.325 -0.437 18114
632 1 8 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.719 0.294 18114
633 1 8 . 1 1 4 4 ASP H H 4 8.089 8.089 8.727 -0.638 18114
634 1 8 . 1 1 5 5 PHE N N 5 120.407 120.407 120.655 -0.248 18114
635 1 8 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.090 0.106 18114
636 1 8 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.175 0.347 18114
637 1 8 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.604 0.579 18114
638 1 8 . 1 1 5 5 PHE H H 5 8.188 8.188 8.727 -0.539 18114
639 1 8 . 1 1 6 6 PHE N N 6 119.753 119.753 119.512 0.241 18114
640 1 8 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.158 0.943 18114
641 1 8 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.822 -0.763 18114
642 1 8 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.262 0.936 18114
643 1 8 . 1 1 6 6 PHE H H 6 8.623 8.623 7.796 0.827 18114
644 1 8 . 1 1 7 7 ARG N N 7 119.218 119.218 118.363 0.855 18114
645 1 8 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.862 -0.028 18114
646 1 8 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.046 0.239 18114
647 1 8 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.877 0.471 18114
648 1 8 . 1 1 7 7 ARG H H 7 8.209 8.209 8.172 0.037 18114
649 1 8 . 1 1 8 8 LYS N N 8 118.092 118.092 119.034 -0.942 18114
650 1 8 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.012 0.106 18114
651 1 8 . 1 1 8 8 LYS H H 8 8.194 8.194 7.506 0.688 18114
652 1 8 . 1 1 9 9 SER N N 9 115.745 115.745 115.238 0.507 18114
653 1 8 . 1 1 9 9 SER HA H 9 4.161 4.161 4.202 -0.041 18114
654 1 8 . 1 1 9 9 SER CB C 9 63.069 63.069 62.585 0.484 18114
655 1 8 . 1 1 9 9 SER H H 9 7.930 7.930 7.874 0.056 18114
656 1 8 . 1 1 10 10 LYS N N 10 121.966 121.966 120.694 1.272 18114
657 1 8 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.960 -0.269 18114
658 1 8 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.245 1.262 18114
659 1 8 . 1 1 10 10 LYS H H 10 7.994 7.994 8.853 -0.859 18114
660 1 8 . 1 1 11 11 GLU N N 11 118.796 118.796 118.733 0.063 18114
661 1 8 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.098 -0.059 18114
662 1 8 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.551 -0.298 18114
663 1 8 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.422 -0.255 18114
664 1 8 . 1 1 11 11 GLU H H 11 8.001 8.001 7.715 0.286 18114
665 1 8 . 1 1 12 12 LYS N N 12 119.513 119.513 119.788 -0.275 18114
666 1 8 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.087 0.027 18114
667 1 8 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.108 -0.332 18114
668 1 8 . 1 1 12 12 LYS H H 12 7.873 7.873 7.415 0.458 18114
669 1 8 . 1 1 13 13 ILE N N 13 118.338 118.338 119.876 -1.538 18114
670 1 8 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.951 -0.269 18114
671 1 8 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.783 0.314 18114
672 1 8 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.749 0.500 18114
673 1 8 . 1 1 13 13 ILE H H 13 8.331 8.331 8.790 -0.459 18114
674 1 8 . 1 1 14 14 GLY N N 14 106.788 106.788 108.684 -1.896 18114
675 1 8 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.623 -0.008 18114
676 1 8 . 1 1 14 14 GLY H H 14 8.393 8.393 8.357 0.036 18114
677 1 8 . 1 1 15 15 LYS N N 15 120.539 120.539 121.633 -1.094 18114
678 1 8 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.174 -0.097 18114
679 1 8 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.149 0.539 18114
680 1 8 . 1 1 15 15 LYS H H 15 7.893 7.893 7.684 0.209 18114
681 1 8 . 1 1 16 16 GLU N N 16 118.979 118.979 120.741 -1.762 18114
682 1 8 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.024 0.390 18114
683 1 8 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.338 -1.470 18114
684 1 8 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.801 -0.810 18114
685 1 8 . 1 1 16 16 GLU H H 16 8.017 8.017 8.063 -0.046 18114
686 1 8 . 1 1 17 17 PHE N N 17 119.566 119.566 121.006 -1.440 18114
687 1 8 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.130 0.036 18114
688 1 8 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.465 0.094 18114
689 1 8 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.113 0.083 18114
690 1 8 . 1 1 17 17 PHE H H 17 8.639 8.639 9.278 -0.639 18114
691 1 8 . 1 1 18 18 LYS N N 18 116.861 116.861 118.003 -1.142 18114
692 1 8 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.797 0.074 18114
693 1 8 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.311 -0.073 18114
694 1 8 . 1 1 18 18 LYS H H 18 7.920 7.920 8.091 -0.171 18114
695 1 8 . 1 1 19 19 ARG N N 19 117.527 117.527 117.164 0.363 18114
696 1 8 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.204 -0.136 18114
697 1 8 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.240 0.488 18114
698 1 8 . 1 1 19 19 ARG H H 19 7.617 7.617 7.366 0.251 18114
699 1 8 . 1 1 20 20 ILE N N 20 117.280 117.280 120.740 -3.460 18114
700 1 8 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.888 -0.056 18114
701 1 8 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.004 -12.929 18114
702 1 8 . 1 1 20 20 ILE H H 20 7.847 7.847 8.153 -0.306 18114
703 1 8 . 1 1 21 21 VAL N N 21 114.417 114.417 120.175 -5.758 18114
704 1 8 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.091 -0.092 18114
705 1 8 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.207 2.676 18114
706 1 8 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.067 0.728 18114
707 1 8 . 1 1 21 21 VAL H H 21 7.639 7.639 8.083 -0.444 18114
708 1 8 . 1 1 22 22 GLN N N 22 120.385 120.385 124.862 -4.477 18114
709 1 8 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.261 -0.036 18114
710 1 8 . 1 1 22 22 GLN CA C 22 56.234 56.234 55.397 0.837 18114
711 1 8 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.989 0.955 18114
712 1 8 . 1 1 22 22 GLN H H 22 7.663 7.663 8.310 -0.647 18114
713 1 9 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.294 -0.141 18114
714 1 9 . 1 1 2 2 LEU H H 2 9.421 9.421 8.645 0.776 18114
715 1 9 . 1 1 3 3 GLY N N 3 107.592 107.592 105.198 2.394 18114
716 1 9 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.643 -0.184 18114
717 1 9 . 1 1 3 3 GLY H H 3 9.085 9.085 8.626 0.459 18114
718 1 9 . 1 1 4 4 ASP N N 4 121.275 121.275 122.272 -0.997 18114
719 1 9 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.483 0.055 18114
720 1 9 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.385 0.504 18114
721 1 9 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.955 0.059 18114
722 1 9 . 1 1 4 4 ASP H H 4 8.089 8.089 7.724 0.365 18114
723 1 9 . 1 1 5 5 PHE N N 5 120.407 120.407 121.183 -0.776 18114
724 1 9 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.065 0.131 18114
725 1 9 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.364 0.159 18114
726 1 9 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.758 0.425 18114
727 1 9 . 1 1 5 5 PHE H H 5 8.188 8.188 8.592 -0.404 18114
728 1 9 . 1 1 6 6 PHE N N 6 119.753 119.753 119.041 0.712 18114
729 1 9 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.598 0.503 18114
730 1 9 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.935 -0.876 18114
731 1 9 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.478 0.720 18114
732 1 9 . 1 1 6 6 PHE H H 6 8.623 8.623 8.005 0.618 18114
733 1 9 . 1 1 7 7 ARG N N 7 119.218 119.218 119.866 -0.648 18114
734 1 9 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.857 -0.023 18114
735 1 9 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.933 0.352 18114
736 1 9 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.940 0.408 18114
737 1 9 . 1 1 7 7 ARG H H 7 8.209 8.209 8.044 0.165 18114
738 1 9 . 1 1 8 8 LYS N N 8 118.092 118.092 118.508 -0.416 18114
739 1 9 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.248 -0.130 18114
740 1 9 . 1 1 8 8 LYS H H 8 8.194 8.194 7.577 0.617 18114
741 1 9 . 1 1 9 9 SER N N 9 115.745 115.745 115.438 0.307 18114
742 1 9 . 1 1 9 9 SER HA H 9 4.161 4.161 4.111 0.050 18114
743 1 9 . 1 1 9 9 SER CB C 9 63.069 63.069 62.696 0.373 18114
744 1 9 . 1 1 9 9 SER H H 9 7.930 7.930 7.800 0.130 18114
745 1 9 . 1 1 10 10 LYS N N 10 121.966 121.966 121.126 0.840 18114
746 1 9 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.879 -0.188 18114
747 1 9 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.792 0.715 18114
748 1 9 . 1 1 10 10 LYS H H 10 7.994 7.994 8.872 -0.878 18114
749 1 9 . 1 1 11 11 GLU N N 11 118.796 118.796 119.635 -0.839 18114
750 1 9 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.026 0.013 18114
751 1 9 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.473 -0.220 18114
752 1 9 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.452 -0.285 18114
753 1 9 . 1 1 11 11 GLU H H 11 8.001 8.001 7.697 0.304 18114
754 1 9 . 1 1 12 12 LYS N N 12 119.513 119.513 119.729 -0.216 18114
755 1 9 . 1 1 12 12 LYS HA H 12 4.114 4.114 3.995 0.119 18114
756 1 9 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.496 -0.720 18114
757 1 9 . 1 1 12 12 LYS H H 12 7.873 7.873 7.417 0.456 18114
758 1 9 . 1 1 13 13 ILE N N 13 118.338 118.338 119.172 -0.834 18114
759 1 9 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.931 -0.249 18114
760 1 9 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.841 0.256 18114
761 1 9 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.754 0.495 18114
762 1 9 . 1 1 13 13 ILE H H 13 8.331 8.331 8.679 -0.348 18114
763 1 9 . 1 1 14 14 GLY N N 14 106.788 106.788 109.319 -2.531 18114
764 1 9 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.612 0.003 18114
765 1 9 . 1 1 14 14 GLY H H 14 8.393 8.393 8.583 -0.190 18114
766 1 9 . 1 1 15 15 LYS N N 15 120.539 120.539 121.625 -1.086 18114
767 1 9 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.142 -0.065 18114
768 1 9 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.393 0.295 18114
769 1 9 . 1 1 15 15 LYS H H 15 7.893 7.893 7.703 0.190 18114
770 1 9 . 1 1 16 16 GLU N N 16 118.979 118.979 120.344 -1.365 18114
771 1 9 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.040 0.374 18114
772 1 9 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.352 -1.484 18114
773 1 9 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.833 -0.842 18114
774 1 9 . 1 1 16 16 GLU H H 16 8.017 8.017 7.580 0.436 18114
775 1 9 . 1 1 17 17 PHE N N 17 119.566 119.566 120.540 -0.974 18114
776 1 9 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.150 0.016 18114
777 1 9 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.417 0.142 18114
778 1 9 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.099 0.097 18114
779 1 9 . 1 1 17 17 PHE H H 17 8.639 8.639 9.246 -0.607 18114
780 1 9 . 1 1 18 18 LYS N N 18 116.861 116.861 118.614 -1.753 18114
781 1 9 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.756 0.115 18114
782 1 9 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.562 -0.324 18114
783 1 9 . 1 1 18 18 LYS H H 18 7.920 7.920 8.036 -0.116 18114
784 1 9 . 1 1 19 19 ARG N N 19 117.527 117.527 116.991 0.536 18114
785 1 9 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.111 -0.043 18114
786 1 9 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.278 0.450 18114
787 1 9 . 1 1 19 19 ARG H H 19 7.617 7.617 7.400 0.217 18114
788 1 9 . 1 1 20 20 ILE N N 20 117.280 117.280 120.083 -2.803 18114
789 1 9 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.920 -0.088 18114
790 1 9 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.742 -12.667 18114
791 1 9 . 1 1 20 20 ILE H H 20 7.847 7.847 7.909 -0.062 18114
792 1 9 . 1 1 21 21 VAL N N 21 114.417 114.417 121.146 -6.729 18114
793 1 9 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.824 0.175 18114
794 1 9 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.571 2.312 18114
795 1 9 . 1 1 21 21 VAL CB C 21 31.795 31.795 29.978 1.817 18114
796 1 9 . 1 1 21 21 VAL H H 21 7.639 7.639 8.511 -0.872 18114
797 1 9 . 1 1 22 22 GLN N N 22 120.385 120.385 124.284 -3.899 18114
798 1 9 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.033 0.192 18114
799 1 9 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.339 -0.105 18114
800 1 9 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.757 2.187 18114
801 1 9 . 1 1 22 22 GLN H H 22 7.663 7.663 7.679 -0.016 18114
802 1 10 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.802 -0.649 18114
803 1 10 . 1 1 2 2 LEU H H 2 9.421 9.421 8.702 0.719 18114
804 1 10 . 1 1 3 3 GLY N N 3 107.592 107.592 108.475 -0.883 18114
805 1 10 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.640 -0.181 18114
806 1 10 . 1 1 3 3 GLY H H 3 9.085 9.085 8.524 0.561 18114
807 1 10 . 1 1 4 4 ASP N N 4 121.275 121.275 121.890 -0.615 18114
808 1 10 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.551 -0.013 18114
809 1 10 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.670 0.218 18114
810 1 10 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.741 0.273 18114
811 1 10 . 1 1 4 4 ASP H H 4 8.089 8.089 8.553 -0.464 18114
812 1 10 . 1 1 5 5 PHE N N 5 120.407 120.407 121.382 -0.975 18114
813 1 10 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.047 0.149 18114
814 1 10 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.269 0.253 18114
815 1 10 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.571 0.612 18114
816 1 10 . 1 1 5 5 PHE H H 5 8.188 8.188 8.626 -0.438 18114
817 1 10 . 1 1 6 6 PHE N N 6 119.753 119.753 119.008 0.745 18114
818 1 10 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.545 0.556 18114
819 1 10 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.383 -1.324 18114
820 1 10 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.462 0.736 18114
821 1 10 . 1 1 6 6 PHE H H 6 8.623 8.623 7.978 0.645 18114
822 1 10 . 1 1 7 7 ARG N N 7 119.218 119.218 118.847 0.371 18114
823 1 10 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.848 -0.014 18114
824 1 10 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.872 0.413 18114
825 1 10 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.782 0.566 18114
826 1 10 . 1 1 7 7 ARG H H 7 8.209 8.209 7.940 0.269 18114
827 1 10 . 1 1 8 8 LYS N N 8 118.092 118.092 119.076 -0.984 18114
828 1 10 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.011 0.107 18114
829 1 10 . 1 1 8 8 LYS H H 8 8.194 8.194 7.651 0.543 18114
830 1 10 . 1 1 9 9 SER N N 9 115.745 115.745 115.659 0.086 18114
831 1 10 . 1 1 9 9 SER HA H 9 4.161 4.161 4.070 0.091 18114
832 1 10 . 1 1 9 9 SER CB C 9 63.069 63.069 62.673 0.396 18114
833 1 10 . 1 1 9 9 SER H H 9 7.930 7.930 7.902 0.028 18114
834 1 10 . 1 1 10 10 LYS N N 10 121.966 121.966 121.297 0.669 18114
835 1 10 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.882 -0.191 18114
836 1 10 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.894 0.613 18114
837 1 10 . 1 1 10 10 LYS H H 10 7.994 7.994 8.788 -0.794 18114
838 1 10 . 1 1 11 11 GLU N N 11 118.796 118.796 119.074 -0.278 18114
839 1 10 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.048 -0.009 18114
840 1 10 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.183 0.070 18114
841 1 10 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.615 -0.448 18114
842 1 10 . 1 1 11 11 GLU H H 11 8.001 8.001 7.732 0.269 18114
843 1 10 . 1 1 12 12 LYS N N 12 119.513 119.513 120.592 -1.079 18114
844 1 10 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.036 0.078 18114
845 1 10 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.080 -0.304 18114
846 1 10 . 1 1 12 12 LYS H H 12 7.873 7.873 7.726 0.147 18114
847 1 10 . 1 1 13 13 ILE N N 13 118.338 118.338 118.850 -0.512 18114
848 1 10 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.827 -0.145 18114
849 1 10 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.537 -0.440 18114
850 1 10 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.794 0.456 18114
851 1 10 . 1 1 13 13 ILE H H 13 8.331 8.331 8.828 -0.497 18114
852 1 10 . 1 1 14 14 GLY N N 14 106.788 106.788 108.697 -1.909 18114
853 1 10 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.494 0.121 18114
854 1 10 . 1 1 14 14 GLY H H 14 8.393 8.393 8.047 0.346 18114
855 1 10 . 1 1 15 15 LYS N N 15 120.539 120.539 121.688 -1.149 18114
856 1 10 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.129 -0.052 18114
857 1 10 . 1 1 15 15 LYS CA C 15 59.688 59.688 58.523 1.165 18114
858 1 10 . 1 1 15 15 LYS H H 15 7.893 7.893 7.578 0.315 18114
859 1 10 . 1 1 16 16 GLU N N 16 118.979 118.979 119.963 -0.984 18114
860 1 10 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.147 0.267 18114
861 1 10 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.038 -1.171 18114
862 1 10 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.482 -0.491 18114
863 1 10 . 1 1 16 16 GLU H H 16 8.017 8.017 7.760 0.257 18114
864 1 10 . 1 1 17 17 PHE N N 17 119.566 119.566 120.432 -0.866 18114
865 1 10 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.099 0.066 18114
866 1 10 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.343 0.216 18114
867 1 10 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.259 -0.063 18114
868 1 10 . 1 1 17 17 PHE H H 17 8.639 8.639 9.284 -0.645 18114
869 1 10 . 1 1 18 18 LYS N N 18 116.861 116.861 119.568 -2.707 18114
870 1 10 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.972 -0.101 18114
871 1 10 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.794 -0.556 18114
872 1 10 . 1 1 18 18 LYS H H 18 7.920 7.920 7.987 -0.067 18114
873 1 10 . 1 1 19 19 ARG N N 19 117.527 117.527 119.615 -2.088 18114
874 1 10 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.119 -0.051 18114
875 1 10 . 1 1 19 19 ARG CA C 19 58.728 58.728 59.029 -0.301 18114
876 1 10 . 1 1 19 19 ARG H H 19 7.617 7.617 7.729 -0.112 18114
877 1 10 . 1 1 20 20 ILE N N 20 117.280 117.280 121.012 -3.732 18114
878 1 10 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.788 0.044 18114
879 1 10 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.370 -13.294 18114
880 1 10 . 1 1 20 20 ILE H H 20 7.847 7.847 8.558 -0.711 18114
881 1 10 . 1 1 21 21 VAL N N 21 114.417 114.417 118.126 -3.709 18114
882 1 10 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.892 0.107 18114
883 1 10 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.822 1.061 18114
884 1 10 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.070 0.725 18114
885 1 10 . 1 1 21 21 VAL H H 21 7.639 7.639 7.331 0.308 18114
886 1 10 . 1 1 22 22 GLN N N 22 120.385 120.385 117.583 2.802 18114
887 1 10 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.871 0.354 18114
888 1 10 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.703 -0.468 18114
889 1 10 . 1 1 22 22 GLN CB C 22 28.944 28.944 25.699 3.245 18114
890 1 10 . 1 1 22 22 GLN H H 22 7.663 7.663 7.675 -0.012 18114
891 1 11 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.523 -0.370 18114
892 1 11 . 1 1 2 2 LEU H H 2 9.421 9.421 8.511 0.910 18114
893 1 11 . 1 1 3 3 GLY N N 3 107.592 107.592 106.986 0.606 18114
894 1 11 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.857 -0.398 18114
895 1 11 . 1 1 3 3 GLY H H 3 9.085 9.085 8.640 0.445 18114
896 1 11 . 1 1 4 4 ASP N N 4 121.275 121.275 122.393 -1.118 18114
897 1 11 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.478 0.060 18114
898 1 11 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.715 0.173 18114
899 1 11 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.266 0.748 18114
900 1 11 . 1 1 4 4 ASP H H 4 8.089 8.089 8.651 -0.562 18114
901 1 11 . 1 1 5 5 PHE N N 5 120.407 120.407 121.421 -1.014 18114
902 1 11 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.046 0.150 18114
903 1 11 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.395 0.127 18114
904 1 11 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.524 0.659 18114
905 1 11 . 1 1 5 5 PHE H H 5 8.188 8.188 8.726 -0.538 18114
906 1 11 . 1 1 6 6 PHE N N 6 119.753 119.753 119.684 0.069 18114
907 1 11 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.111 0.990 18114
908 1 11 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.539 -0.480 18114
909 1 11 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.347 0.851 18114
910 1 11 . 1 1 6 6 PHE H H 6 8.623 8.623 7.872 0.751 18114
911 1 11 . 1 1 7 7 ARG N N 7 119.218 119.218 118.941 0.277 18114
912 1 11 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.851 -0.017 18114
913 1 11 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.057 0.228 18114
914 1 11 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.784 0.564 18114
915 1 11 . 1 1 7 7 ARG H H 7 8.209 8.209 8.129 0.080 18114
916 1 11 . 1 1 8 8 LYS N N 8 118.092 118.092 119.124 -1.032 18114
917 1 11 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.246 -0.128 18114
918 1 11 . 1 1 8 8 LYS H H 8 8.194 8.194 7.379 0.815 18114
919 1 11 . 1 1 9 9 SER N N 9 115.745 115.745 116.973 -1.228 18114
920 1 11 . 1 1 9 9 SER HA H 9 4.161 4.161 4.106 0.055 18114
921 1 11 . 1 1 9 9 SER CB C 9 63.069 63.069 62.855 0.214 18114
922 1 11 . 1 1 9 9 SER H H 9 7.930 7.930 7.995 -0.065 18114
923 1 11 . 1 1 10 10 LYS N N 10 121.966 121.966 121.692 0.274 18114
924 1 11 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.891 -0.200 18114
925 1 11 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.922 0.585 18114
926 1 11 . 1 1 10 10 LYS H H 10 7.994 7.994 8.859 -0.865 18114
927 1 11 . 1 1 11 11 GLU N N 11 118.796 118.796 119.226 -0.430 18114
928 1 11 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.019 0.020 18114
929 1 11 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.452 -0.199 18114
930 1 11 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.440 -0.273 18114
931 1 11 . 1 1 11 11 GLU H H 11 8.001 8.001 7.791 0.210 18114
932 1 11 . 1 1 12 12 LYS N N 12 119.513 119.513 119.970 -0.457 18114
933 1 11 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.036 0.078 18114
934 1 11 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.469 -0.693 18114
935 1 11 . 1 1 12 12 LYS H H 12 7.873 7.873 7.427 0.446 18114
936 1 11 . 1 1 13 13 ILE N N 13 118.338 118.338 119.896 -1.558 18114
937 1 11 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.877 -0.195 18114
938 1 11 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.016 0.081 18114
939 1 11 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.760 0.489 18114
940 1 11 . 1 1 13 13 ILE H H 13 8.331 8.331 8.693 -0.362 18114
941 1 11 . 1 1 14 14 GLY N N 14 106.788 106.788 109.024 -2.236 18114
942 1 11 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.621 -0.006 18114
943 1 11 . 1 1 14 14 GLY H H 14 8.393 8.393 8.598 -0.205 18114
944 1 11 . 1 1 15 15 LYS N N 15 120.539 120.539 121.861 -1.322 18114
945 1 11 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.045 0.032 18114
946 1 11 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.454 0.234 18114
947 1 11 . 1 1 15 15 LYS H H 15 7.893 7.893 7.689 0.204 18114
948 1 11 . 1 1 16 16 GLU N N 16 118.979 118.979 120.265 -1.286 18114
949 1 11 . 1 1 16 16 GLU HA H 16 4.414 4.414 3.996 0.418 18114
950 1 11 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.332 -1.464 18114
951 1 11 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.765 -0.774 18114
952 1 11 . 1 1 16 16 GLU H H 16 8.017 8.017 7.694 0.323 18114
953 1 11 . 1 1 17 17 PHE N N 17 119.566 119.566 121.081 -1.515 18114
954 1 11 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.062 0.104 18114
955 1 11 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.750 -0.191 18114
956 1 11 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.144 0.052 18114
957 1 11 . 1 1 17 17 PHE H H 17 8.639 8.639 9.292 -0.653 18114
958 1 11 . 1 1 18 18 LYS N N 18 116.861 116.861 117.570 -0.709 18114
959 1 11 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.948 -0.077 18114
960 1 11 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.770 0.468 18114
961 1 11 . 1 1 18 18 LYS H H 18 7.920 7.920 8.350 -0.430 18114
962 1 11 . 1 1 19 19 ARG N N 19 117.527 117.527 118.456 -0.929 18114
963 1 11 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.259 -0.191 18114
964 1 11 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.420 0.308 18114
965 1 11 . 1 1 19 19 ARG H H 19 7.617 7.617 8.031 -0.414 18114
966 1 11 . 1 1 20 20 ILE N N 20 117.280 117.280 118.347 -1.067 18114
967 1 11 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.056 -0.224 18114
968 1 11 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.197 -13.122 18114
969 1 11 . 1 1 20 20 ILE H H 20 7.847 7.847 8.424 -0.577 18114
970 1 11 . 1 1 21 21 VAL N N 21 114.417 114.417 121.696 -7.279 18114
971 1 11 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.136 -0.137 18114
972 1 11 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.145 2.738 18114
973 1 11 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.502 1.293 18114
974 1 11 . 1 1 21 21 VAL H H 21 7.639 7.639 7.734 -0.095 18114
975 1 11 . 1 1 22 22 GLN N N 22 120.385 120.385 123.109 -2.724 18114
976 1 11 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.176 0.049 18114
977 1 11 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.056 0.178 18114
978 1 11 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.212 1.732 18114
979 1 11 . 1 1 22 22 GLN H H 22 7.663 7.663 7.862 -0.199 18114
980 1 12 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.241 -0.088 18114
981 1 12 . 1 1 2 2 LEU H H 2 9.421 9.421 8.486 0.935 18114
982 1 12 . 1 1 3 3 GLY N N 3 107.592 107.592 104.863 2.729 18114
983 1 12 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.706 -0.247 18114
984 1 12 . 1 1 3 3 GLY H H 3 9.085 9.085 8.808 0.277 18114
985 1 12 . 1 1 4 4 ASP N N 4 121.275 121.275 122.490 -1.215 18114
986 1 12 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.528 0.010 18114
987 1 12 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.905 -0.017 18114
988 1 12 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.816 0.198 18114
989 1 12 . 1 1 4 4 ASP H H 4 8.089 8.089 7.784 0.305 18114
990 1 12 . 1 1 5 5 PHE N N 5 120.407 120.407 121.708 -1.301 18114
991 1 12 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.050 0.146 18114
992 1 12 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.282 0.240 18114
993 1 12 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.756 0.427 18114
994 1 12 . 1 1 5 5 PHE H H 5 8.188 8.188 8.461 -0.273 18114
995 1 12 . 1 1 6 6 PHE N N 6 119.753 119.753 118.878 0.875 18114
996 1 12 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.782 0.319 18114
997 1 12 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.682 -0.623 18114
998 1 12 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.607 0.591 18114
999 1 12 . 1 1 6 6 PHE H H 6 8.623 8.623 8.218 0.405 18114
1000 1 12 . 1 1 7 7 ARG N N 7 119.218 119.218 119.580 -0.362 18114
1001 1 12 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.899 -0.065 18114
1002 1 12 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.863 0.422 18114
1003 1 12 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.934 0.414 18114
1004 1 12 . 1 1 7 7 ARG H H 7 8.209 8.209 8.133 0.076 18114
1005 1 12 . 1 1 8 8 LYS N N 8 118.092 118.092 119.236 -1.144 18114
1006 1 12 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.066 0.052 18114
1007 1 12 . 1 1 8 8 LYS H H 8 8.194 8.194 7.533 0.661 18114
1008 1 12 . 1 1 9 9 SER N N 9 115.745 115.745 116.477 -0.732 18114
1009 1 12 . 1 1 9 9 SER HA H 9 4.161 4.161 4.102 0.059 18114
1010 1 12 . 1 1 9 9 SER CB C 9 63.069 63.069 62.958 0.112 18114
1011 1 12 . 1 1 9 9 SER H H 9 7.930 7.930 7.445 0.485 18114
1012 1 12 . 1 1 10 10 LYS N N 10 121.966 121.966 121.620 0.346 18114
1013 1 12 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.985 -0.294 18114
1014 1 12 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.259 1.248 18114
1015 1 12 . 1 1 10 10 LYS H H 10 7.994 7.994 8.921 -0.927 18114
1016 1 12 . 1 1 11 11 GLU N N 11 118.796 118.796 119.071 -0.275 18114
1017 1 12 . 1 1 11 11 GLU HA H 11 4.039 4.039 3.931 0.108 18114
1018 1 12 . 1 1 11 11 GLU CA C 11 59.253 59.253 60.097 -0.844 18114
1019 1 12 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.391 -0.224 18114
1020 1 12 . 1 1 11 11 GLU H H 11 8.001 8.001 7.733 0.268 18114
1021 1 12 . 1 1 12 12 LYS N N 12 119.513 119.513 119.244 0.269 18114
1022 1 12 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.022 0.092 18114
1023 1 12 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.495 -0.719 18114
1024 1 12 . 1 1 12 12 LYS H H 12 7.873 7.873 7.387 0.486 18114
1025 1 12 . 1 1 13 13 ILE N N 13 118.338 118.338 119.316 -0.978 18114
1026 1 12 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.799 -0.117 18114
1027 1 12 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.856 0.241 18114
1028 1 12 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.650 0.599 18114
1029 1 12 . 1 1 13 13 ILE H H 13 8.331 8.331 8.059 0.272 18114
1030 1 12 . 1 1 14 14 GLY N N 14 106.788 106.788 109.345 -2.557 18114
1031 1 12 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.698 -0.083 18114
1032 1 12 . 1 1 14 14 GLY H H 14 8.393 8.393 8.902 -0.509 18114
1033 1 12 . 1 1 15 15 LYS N N 15 120.539 120.539 122.407 -1.868 18114
1034 1 12 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.058 0.019 18114
1035 1 12 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.603 0.085 18114
1036 1 12 . 1 1 15 15 LYS H H 15 7.893 7.893 7.898 -0.005 18114
1037 1 12 . 1 1 16 16 GLU N N 16 118.979 118.979 119.929 -0.950 18114
1038 1 12 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.077 0.337 18114
1039 1 12 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.246 -1.378 18114
1040 1 12 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.394 -0.403 18114
1041 1 12 . 1 1 16 16 GLU H H 16 8.017 8.017 7.686 0.331 18114
1042 1 12 . 1 1 17 17 PHE N N 17 119.566 119.566 120.806 -1.240 18114
1043 1 12 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.112 0.054 18114
1044 1 12 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.652 0.907 18114
1045 1 12 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.202 -0.006 18114
1046 1 12 . 1 1 17 17 PHE H H 17 8.639 8.639 9.146 -0.507 18114
1047 1 12 . 1 1 18 18 LYS N N 18 116.861 116.861 119.140 -2.279 18114
1048 1 12 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.691 0.180 18114
1049 1 12 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.445 -0.207 18114
1050 1 12 . 1 1 18 18 LYS H H 18 7.920 7.920 8.406 -0.486 18114
1051 1 12 . 1 1 19 19 ARG N N 19 117.527 117.527 117.841 -0.314 18114
1052 1 12 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.028 0.040 18114
1053 1 12 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.474 0.254 18114
1054 1 12 . 1 1 19 19 ARG H H 19 7.617 7.617 7.730 -0.113 18114
1055 1 12 . 1 1 20 20 ILE N N 20 117.280 117.280 118.622 -1.342 18114
1056 1 12 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.971 -0.139 18114
1057 1 12 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.304 -12.229 18114
1058 1 12 . 1 1 20 20 ILE H H 20 7.847 7.847 7.481 0.366 18114
1059 1 12 . 1 1 21 21 VAL N N 21 114.417 114.417 119.604 -5.187 18114
1060 1 12 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.124 -0.125 18114
1061 1 12 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.489 1.394 18114
1062 1 12 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.964 -0.169 18114
1063 1 12 . 1 1 21 21 VAL H H 21 7.639 7.639 7.300 0.339 18114
1064 1 12 . 1 1 22 22 GLN N N 22 120.385 120.385 118.517 1.868 18114
1065 1 12 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.333 -0.108 18114
1066 1 12 . 1 1 22 22 GLN CA C 22 56.234 56.234 55.309 0.924 18114
1067 1 12 . 1 1 22 22 GLN CB C 22 28.944 28.944 29.259 -0.315 18114
1068 1 12 . 1 1 22 22 GLN H H 22 7.663 7.663 8.017 -0.354 18114
1069 1 13 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.240 -0.087 18114
1070 1 13 . 1 1 2 2 LEU H H 2 9.421 9.421 8.605 0.816 18114
1071 1 13 . 1 1 3 3 GLY N N 3 107.592 107.592 105.100 2.492 18114
1072 1 13 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.599 -0.140 18114
1073 1 13 . 1 1 3 3 GLY H H 3 9.085 9.085 8.627 0.458 18114
1074 1 13 . 1 1 4 4 ASP N N 4 121.275 121.275 122.164 -0.889 18114
1075 1 13 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.460 0.078 18114
1076 1 13 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.863 0.025 18114
1077 1 13 . 1 1 4 4 ASP CB C 4 41.014 41.014 41.063 -0.049 18114
1078 1 13 . 1 1 4 4 ASP H H 4 8.089 8.089 7.809 0.280 18114
1079 1 13 . 1 1 5 5 PHE N N 5 120.407 120.407 120.743 -0.336 18114
1080 1 13 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.028 0.168 18114
1081 1 13 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.118 0.404 18114
1082 1 13 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.839 0.344 18114
1083 1 13 . 1 1 5 5 PHE H H 5 8.188 8.188 8.644 -0.456 18114
1084 1 13 . 1 1 6 6 PHE N N 6 119.753 119.753 117.987 1.766 18114
1085 1 13 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.639 0.462 18114
1086 1 13 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.334 -1.274 18114
1087 1 13 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.468 0.730 18114
1088 1 13 . 1 1 6 6 PHE H H 6 8.623 8.623 8.012 0.611 18114
1089 1 13 . 1 1 7 7 ARG N N 7 119.218 119.218 119.410 -0.192 18114
1090 1 13 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.889 -0.055 18114
1091 1 13 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.029 0.256 18114
1092 1 13 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.988 0.360 18114
1093 1 13 . 1 1 7 7 ARG H H 7 8.209 8.209 7.856 0.353 18114
1094 1 13 . 1 1 8 8 LYS N N 8 118.092 118.092 118.394 -0.302 18114
1095 1 13 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.069 0.049 18114
1096 1 13 . 1 1 8 8 LYS H H 8 8.194 8.194 7.623 0.571 18114
1097 1 13 . 1 1 9 9 SER N N 9 115.745 115.745 117.367 -1.622 18114
1098 1 13 . 1 1 9 9 SER HA H 9 4.161 4.161 4.136 0.025 18114
1099 1 13 . 1 1 9 9 SER CB C 9 63.069 63.069 62.014 1.055 18114
1100 1 13 . 1 1 9 9 SER H H 9 7.930 7.930 7.904 0.026 18114
1101 1 13 . 1 1 10 10 LYS N N 10 121.966 121.966 121.907 0.059 18114
1102 1 13 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.964 -0.273 18114
1103 1 13 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.564 0.943 18114
1104 1 13 . 1 1 10 10 LYS H H 10 7.994 7.994 8.892 -0.898 18114
1105 1 13 . 1 1 11 11 GLU N N 11 118.796 118.796 119.632 -0.836 18114
1106 1 13 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.115 -0.076 18114
1107 1 13 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.499 -0.247 18114
1108 1 13 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.305 -0.138 18114
1109 1 13 . 1 1 11 11 GLU H H 11 8.001 8.001 7.811 0.190 18114
1110 1 13 . 1 1 12 12 LYS N N 12 119.513 119.513 120.249 -0.736 18114
1111 1 13 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.003 0.111 18114
1112 1 13 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.524 -0.748 18114
1113 1 13 . 1 1 12 12 LYS H H 12 7.873 7.873 7.540 0.333 18114
1114 1 13 . 1 1 13 13 ILE N N 13 118.338 118.338 119.276 -0.938 18114
1115 1 13 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.807 -0.125 18114
1116 1 13 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.064 0.033 18114
1117 1 13 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.593 0.656 18114
1118 1 13 . 1 1 13 13 ILE H H 13 8.331 8.331 8.897 -0.566 18114
1119 1 13 . 1 1 14 14 GLY N N 14 106.788 106.788 108.827 -2.039 18114
1120 1 13 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.695 -0.080 18114
1121 1 13 . 1 1 14 14 GLY H H 14 8.393 8.393 8.570 -0.177 18114
1122 1 13 . 1 1 15 15 LYS N N 15 120.539 120.539 121.768 -1.229 18114
1123 1 13 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.197 -0.120 18114
1124 1 13 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.200 0.487 18114
1125 1 13 . 1 1 15 15 LYS H H 15 7.893 7.893 7.727 0.166 18114
1126 1 13 . 1 1 16 16 GLU N N 16 118.979 118.979 120.200 -1.221 18114
1127 1 13 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.138 0.276 18114
1128 1 13 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.183 -1.315 18114
1129 1 13 . 1 1 16 16 GLU CB C 16 28.991 28.991 30.130 -1.139 18114
1130 1 13 . 1 1 16 16 GLU H H 16 8.017 8.017 7.695 0.322 18114
1131 1 13 . 1 1 17 17 PHE N N 17 119.566 119.566 119.494 0.072 18114
1132 1 13 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.380 -0.214 18114
1133 1 13 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.643 0.916 18114
1134 1 13 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.118 0.078 18114
1135 1 13 . 1 1 17 17 PHE H H 17 8.639 8.639 9.279 -0.640 18114
1136 1 13 . 1 1 18 18 LYS N N 18 116.861 116.861 120.179 -3.318 18114
1137 1 13 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.415 0.456 18114
1138 1 13 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.498 -0.261 18114
1139 1 13 . 1 1 18 18 LYS H H 18 7.920 7.920 7.700 0.220 18114
1140 1 13 . 1 1 19 19 ARG N N 19 117.527 117.527 117.900 -0.373 18114
1141 1 13 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.068 -0.000 18114
1142 1 13 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.620 0.108 18114
1143 1 13 . 1 1 19 19 ARG H H 19 7.617 7.617 7.217 0.400 18114
1144 1 13 . 1 1 20 20 ILE N N 20 117.280 117.280 119.446 -2.166 18114
1145 1 13 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.834 -0.002 18114
1146 1 13 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.207 -13.132 18114
1147 1 13 . 1 1 20 20 ILE H H 20 7.847 7.847 7.830 0.017 18114
1148 1 13 . 1 1 21 21 VAL N N 21 114.417 114.417 120.492 -6.075 18114
1149 1 13 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.007 -0.008 18114
1150 1 13 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.395 1.488 18114
1151 1 13 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.069 1.726 18114
1152 1 13 . 1 1 21 21 VAL H H 21 7.639 7.639 7.350 0.289 18114
1153 1 13 . 1 1 22 22 GLN N N 22 120.385 120.385 126.236 -5.851 18114
1154 1 13 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.325 -0.100 18114
1155 1 13 . 1 1 22 22 GLN CA C 22 56.234 56.234 54.850 1.384 18114
1156 1 13 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.582 1.362 18114
1157 1 13 . 1 1 22 22 GLN H H 22 7.663 7.663 7.998 -0.335 18114
1158 1 14 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.332 -0.179 18114
1159 1 14 . 1 1 2 2 LEU H H 2 9.421 9.421 8.629 0.792 18114
1160 1 14 . 1 1 3 3 GLY N N 3 107.592 107.592 105.096 2.496 18114
1161 1 14 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.727 -0.268 18114
1162 1 14 . 1 1 3 3 GLY H H 3 9.085 9.085 8.808 0.277 18114
1163 1 14 . 1 1 4 4 ASP N N 4 121.275 121.275 122.667 -1.392 18114
1164 1 14 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.492 0.046 18114
1165 1 14 . 1 1 4 4 ASP CA C 4 56.888 56.888 57.835 -0.947 18114
1166 1 14 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.880 0.134 18114
1167 1 14 . 1 1 4 4 ASP H H 4 8.089 8.089 7.733 0.356 18114
1168 1 14 . 1 1 5 5 PHE N N 5 120.407 120.407 121.440 -1.033 18114
1169 1 14 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.098 0.098 18114
1170 1 14 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.182 0.340 18114
1171 1 14 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.965 0.218 18114
1172 1 14 . 1 1 5 5 PHE H H 5 8.188 8.188 8.720 -0.532 18114
1173 1 14 . 1 1 6 6 PHE N N 6 119.753 119.753 119.733 0.020 18114
1174 1 14 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.578 0.523 18114
1175 1 14 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.578 -1.519 18114
1176 1 14 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.425 0.773 18114
1177 1 14 . 1 1 6 6 PHE H H 6 8.623 8.623 8.023 0.600 18114
1178 1 14 . 1 1 7 7 ARG N N 7 119.218 119.218 118.740 0.478 18114
1179 1 14 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.847 -0.013 18114
1180 1 14 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.928 0.357 18114
1181 1 14 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.797 0.551 18114
1182 1 14 . 1 1 7 7 ARG H H 7 8.209 8.209 7.946 0.263 18114
1183 1 14 . 1 1 8 8 LYS N N 8 118.092 118.092 119.440 -1.348 18114
1184 1 14 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.239 -0.121 18114
1185 1 14 . 1 1 8 8 LYS H H 8 8.194 8.194 7.755 0.439 18114
1186 1 14 . 1 1 9 9 SER N N 9 115.745 115.745 117.126 -1.381 18114
1187 1 14 . 1 1 9 9 SER HA H 9 4.161 4.161 3.998 0.163 18114
1188 1 14 . 1 1 9 9 SER CB C 9 63.069 63.069 62.509 0.560 18114
1189 1 14 . 1 1 9 9 SER H H 9 7.930 7.930 8.010 -0.080 18114
1190 1 14 . 1 1 10 10 LYS N N 10 121.966 121.966 122.053 -0.087 18114
1191 1 14 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.869 -0.178 18114
1192 1 14 . 1 1 10 10 LYS CA C 10 60.507 60.507 60.088 0.419 18114
1193 1 14 . 1 1 10 10 LYS H H 10 7.994 7.994 8.827 -0.833 18114
1194 1 14 . 1 1 11 11 GLU N N 11 118.796 118.796 119.282 -0.486 18114
1195 1 14 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.002 0.037 18114
1196 1 14 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.540 -0.287 18114
1197 1 14 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.483 -0.316 18114
1198 1 14 . 1 1 11 11 GLU H H 11 8.001 8.001 7.773 0.228 18114
1199 1 14 . 1 1 12 12 LYS N N 12 119.513 119.513 119.860 -0.347 18114
1200 1 14 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.028 0.086 18114
1201 1 14 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.479 -0.703 18114
1202 1 14 . 1 1 12 12 LYS H H 12 7.873 7.873 7.456 0.417 18114
1203 1 14 . 1 1 13 13 ILE N N 13 118.338 118.338 119.624 -1.286 18114
1204 1 14 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.947 -0.265 18114
1205 1 14 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.822 0.275 18114
1206 1 14 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.863 0.386 18114
1207 1 14 . 1 1 13 13 ILE H H 13 8.331 8.331 8.902 -0.571 18114
1208 1 14 . 1 1 14 14 GLY N N 14 106.788 106.788 109.132 -2.344 18114
1209 1 14 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.562 0.053 18114
1210 1 14 . 1 1 14 14 GLY H H 14 8.393 8.393 8.745 -0.352 18114
1211 1 14 . 1 1 15 15 LYS N N 15 120.539 120.539 121.697 -1.158 18114
1212 1 14 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.119 -0.042 18114
1213 1 14 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.342 0.346 18114
1214 1 14 . 1 1 15 15 LYS H H 15 7.893 7.893 7.656 0.237 18114
1215 1 14 . 1 1 16 16 GLU N N 16 118.979 118.979 120.615 -1.636 18114
1216 1 14 . 1 1 16 16 GLU HA H 16 4.414 4.414 3.992 0.422 18114
1217 1 14 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.366 -1.498 18114
1218 1 14 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.711 -0.720 18114
1219 1 14 . 1 1 16 16 GLU H H 16 8.017 8.017 7.745 0.272 18114
1220 1 14 . 1 1 17 17 PHE N N 17 119.566 119.566 119.985 -0.419 18114
1221 1 14 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.137 0.029 18114
1222 1 14 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.670 -0.111 18114
1223 1 14 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.090 0.106 18114
1224 1 14 . 1 1 17 17 PHE H H 17 8.639 8.639 9.375 -0.736 18114
1225 1 14 . 1 1 18 18 LYS N N 18 116.861 116.861 118.186 -1.325 18114
1226 1 14 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.845 0.026 18114
1227 1 14 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.515 -0.277 18114
1228 1 14 . 1 1 18 18 LYS H H 18 7.920 7.920 7.680 0.240 18114
1229 1 14 . 1 1 19 19 ARG N N 19 117.527 117.527 117.822 -0.295 18114
1230 1 14 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.241 -0.173 18114
1231 1 14 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.477 0.251 18114
1232 1 14 . 1 1 19 19 ARG H H 19 7.617 7.617 7.547 0.070 18114
1233 1 14 . 1 1 20 20 ILE N N 20 117.280 117.280 121.443 -4.163 18114
1234 1 14 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.785 0.047 18114
1235 1 14 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.575 -13.500 18114
1236 1 14 . 1 1 20 20 ILE H H 20 7.847 7.847 8.616 -0.769 18114
1237 1 14 . 1 1 21 21 VAL N N 21 114.417 114.417 119.422 -5.005 18114
1238 1 14 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.970 0.029 18114
1239 1 14 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.064 1.819 18114
1240 1 14 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.286 0.509 18114
1241 1 14 . 1 1 21 21 VAL H H 21 7.639 7.639 7.347 0.292 18114
1242 1 14 . 1 1 22 22 GLN N N 22 120.385 120.385 118.115 2.270 18114
1243 1 14 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.829 0.396 18114
1244 1 14 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.099 0.135 18114
1245 1 14 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.224 2.720 18114
1246 1 14 . 1 1 22 22 GLN H H 22 7.663 7.663 7.715 -0.052 18114
1247 1 15 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.108 0.045 18114
1248 1 15 . 1 1 2 2 LEU H H 2 9.421 9.421 8.458 0.963 18114
1249 1 15 . 1 1 3 3 GLY N N 3 107.592 107.592 105.125 2.467 18114
1250 1 15 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.581 -0.122 18114
1251 1 15 . 1 1 3 3 GLY H H 3 9.085 9.085 8.645 0.440 18114
1252 1 15 . 1 1 4 4 ASP N N 4 121.275 121.275 122.835 -1.560 18114
1253 1 15 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.425 0.113 18114
1254 1 15 . 1 1 4 4 ASP CA C 4 56.888 56.888 57.306 -0.418 18114
1255 1 15 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.959 0.056 18114
1256 1 15 . 1 1 4 4 ASP H H 4 8.089 8.089 7.856 0.233 18114
1257 1 15 . 1 1 5 5 PHE N N 5 120.407 120.407 120.725 -0.318 18114
1258 1 15 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.091 0.105 18114
1259 1 15 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.125 0.397 18114
1260 1 15 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.612 0.571 18114
1261 1 15 . 1 1 5 5 PHE H H 5 8.188 8.188 8.769 -0.581 18114
1262 1 15 . 1 1 6 6 PHE N N 6 119.753 119.753 120.389 -0.636 18114
1263 1 15 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.316 0.785 18114
1264 1 15 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.020 0.039 18114
1265 1 15 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.263 0.935 18114
1266 1 15 . 1 1 6 6 PHE H H 6 8.623 8.623 7.782 0.841 18114
1267 1 15 . 1 1 7 7 ARG N N 7 119.218 119.218 118.242 0.976 18114
1268 1 15 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.860 -0.026 18114
1269 1 15 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.260 0.025 18114
1270 1 15 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.829 0.519 18114
1271 1 15 . 1 1 7 7 ARG H H 7 8.209 8.209 8.481 -0.272 18114
1272 1 15 . 1 1 8 8 LYS N N 8 118.092 118.092 118.674 -0.582 18114
1273 1 15 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.035 0.083 18114
1274 1 15 . 1 1 8 8 LYS H H 8 8.194 8.194 7.468 0.726 18114
1275 1 15 . 1 1 9 9 SER N N 9 115.745 115.745 116.774 -1.029 18114
1276 1 15 . 1 1 9 9 SER HA H 9 4.161 4.161 4.116 0.045 18114
1277 1 15 . 1 1 9 9 SER CB C 9 63.069 63.069 62.309 0.760 18114
1278 1 15 . 1 1 9 9 SER H H 9 7.930 7.930 7.953 -0.023 18114
1279 1 15 . 1 1 10 10 LYS N N 10 121.966 121.966 122.190 -0.224 18114
1280 1 15 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.909 -0.218 18114
1281 1 15 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.363 1.144 18114
1282 1 15 . 1 1 10 10 LYS H H 10 7.994 7.994 8.836 -0.842 18114
1283 1 15 . 1 1 11 11 GLU N N 11 118.796 118.796 119.462 -0.666 18114
1284 1 15 . 1 1 11 11 GLU HA H 11 4.039 4.039 3.951 0.088 18114
1285 1 15 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.648 -0.396 18114
1286 1 15 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.492 -0.325 18114
1287 1 15 . 1 1 11 11 GLU H H 11 8.001 8.001 7.770 0.231 18114
1288 1 15 . 1 1 12 12 LYS N N 12 119.513 119.513 119.861 -0.348 18114
1289 1 15 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.030 0.084 18114
1290 1 15 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.418 -0.642 18114
1291 1 15 . 1 1 12 12 LYS H H 12 7.873 7.873 7.444 0.429 18114
1292 1 15 . 1 1 13 13 ILE N N 13 118.338 118.338 119.339 -1.001 18114
1293 1 15 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.936 -0.254 18114
1294 1 15 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.747 0.350 18114
1295 1 15 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.834 0.415 18114
1296 1 15 . 1 1 13 13 ILE H H 13 8.331 8.331 8.657 -0.326 18114
1297 1 15 . 1 1 14 14 GLY N N 14 106.788 106.788 109.405 -2.617 18114
1298 1 15 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.661 -0.046 18114
1299 1 15 . 1 1 14 14 GLY H H 14 8.393 8.393 8.810 -0.417 18114
1300 1 15 . 1 1 15 15 LYS N N 15 120.539 120.539 121.873 -1.334 18114
1301 1 15 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.090 -0.013 18114
1302 1 15 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.492 0.195 18114
1303 1 15 . 1 1 15 15 LYS H H 15 7.893 7.893 7.705 0.188 18114
1304 1 15 . 1 1 16 16 GLU N N 16 118.979 118.979 120.335 -1.356 18114
1305 1 15 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.022 0.392 18114
1306 1 15 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.310 -1.442 18114
1307 1 15 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.784 -0.793 18114
1308 1 15 . 1 1 16 16 GLU H H 16 8.017 8.017 7.634 0.383 18114
1309 1 15 . 1 1 17 17 PHE N N 17 119.566 119.566 120.934 -1.368 18114
1310 1 15 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.127 0.039 18114
1311 1 15 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.979 0.580 18114
1312 1 15 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.055 0.141 18114
1313 1 15 . 1 1 17 17 PHE H H 17 8.639 8.639 9.236 -0.597 18114
1314 1 15 . 1 1 18 18 LYS N N 18 116.861 116.861 119.189 -2.328 18114
1315 1 15 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.674 0.197 18114
1316 1 15 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.577 -0.339 18114
1317 1 15 . 1 1 18 18 LYS H H 18 7.920 7.920 8.107 -0.187 18114
1318 1 15 . 1 1 19 19 ARG N N 19 117.527 117.527 116.799 0.728 18114
1319 1 15 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.126 -0.058 18114
1320 1 15 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.309 0.420 18114
1321 1 15 . 1 1 19 19 ARG H H 19 7.617 7.617 7.567 0.050 18114
1322 1 15 . 1 1 20 20 ILE N N 20 117.280 117.280 120.090 -2.810 18114
1323 1 15 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.932 -0.100 18114
1324 1 15 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.654 -12.579 18114
1325 1 15 . 1 1 20 20 ILE H H 20 7.847 7.847 7.964 -0.117 18114
1326 1 15 . 1 1 21 21 VAL N N 21 114.417 114.417 119.403 -4.986 18114
1327 1 15 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.146 -0.147 18114
1328 1 15 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.286 2.596 18114
1329 1 15 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.378 0.417 18114
1330 1 15 . 1 1 21 21 VAL H H 21 7.639 7.639 8.117 -0.478 18114
1331 1 15 . 1 1 22 22 GLN N N 22 120.385 120.385 125.554 -5.169 18114
1332 1 15 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.133 0.092 18114
1333 1 15 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.155 0.079 18114
1334 1 15 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.319 1.625 18114
1335 1 15 . 1 1 22 22 GLN H H 22 7.663 7.663 8.358 -0.695 18114
1336 1 16 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.004 0.149 18114
1337 1 16 . 1 1 2 2 LEU H H 2 9.421 9.421 8.654 0.767 18114
1338 1 16 . 1 1 3 3 GLY N N 3 107.592 107.592 104.769 2.823 18114
1339 1 16 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.644 -0.185 18114
1340 1 16 . 1 1 3 3 GLY H H 3 9.085 9.085 8.652 0.433 18114
1341 1 16 . 1 1 4 4 ASP N N 4 121.275 121.275 122.320 -1.045 18114
1342 1 16 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.314 0.224 18114
1343 1 16 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.642 0.246 18114
1344 1 16 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.307 0.707 18114
1345 1 16 . 1 1 4 4 ASP H H 4 8.089 8.089 8.642 -0.553 18114
1346 1 16 . 1 1 5 5 PHE N N 5 120.407 120.407 120.650 -0.243 18114
1347 1 16 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.062 0.134 18114
1348 1 16 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.082 0.440 18114
1349 1 16 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.797 0.386 18114
1350 1 16 . 1 1 5 5 PHE H H 5 8.188 8.188 8.515 -0.327 18114
1351 1 16 . 1 1 6 6 PHE N N 6 119.753 119.753 119.290 0.463 18114
1352 1 16 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.257 0.844 18114
1353 1 16 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.559 -0.500 18114
1354 1 16 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.302 0.896 18114
1355 1 16 . 1 1 6 6 PHE H H 6 8.623 8.623 7.805 0.818 18114
1356 1 16 . 1 1 7 7 ARG N N 7 119.218 119.218 118.664 0.554 18114
1357 1 16 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.880 -0.046 18114
1358 1 16 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.035 0.250 18114
1359 1 16 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.920 0.428 18114
1360 1 16 . 1 1 7 7 ARG H H 7 8.209 8.209 8.331 -0.122 18114
1361 1 16 . 1 1 8 8 LYS N N 8 118.092 118.092 119.243 -1.151 18114
1362 1 16 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.030 0.088 18114
1363 1 16 . 1 1 8 8 LYS H H 8 8.194 8.194 7.587 0.607 18114
1364 1 16 . 1 1 9 9 SER N N 9 115.745 115.745 116.959 -1.214 18114
1365 1 16 . 1 1 9 9 SER HA H 9 4.161 4.161 4.125 0.036 18114
1366 1 16 . 1 1 9 9 SER CB C 9 63.069 63.069 62.611 0.459 18114
1367 1 16 . 1 1 9 9 SER H H 9 7.930 7.930 7.700 0.230 18114
1368 1 16 . 1 1 10 10 LYS N N 10 121.966 121.966 121.768 0.198 18114
1369 1 16 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.925 -0.234 18114
1370 1 16 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.277 1.230 18114
1371 1 16 . 1 1 10 10 LYS H H 10 7.994 7.994 8.776 -0.782 18114
1372 1 16 . 1 1 11 11 GLU N N 11 118.796 118.796 119.312 -0.516 18114
1373 1 16 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.017 0.022 18114
1374 1 16 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.489 -0.236 18114
1375 1 16 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.290 -0.123 18114
1376 1 16 . 1 1 11 11 GLU H H 11 8.001 8.001 7.782 0.219 18114
1377 1 16 . 1 1 12 12 LYS N N 12 119.513 119.513 119.607 -0.094 18114
1378 1 16 . 1 1 12 12 LYS HA H 12 4.114 4.114 3.981 0.133 18114
1379 1 16 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.511 -0.735 18114
1380 1 16 . 1 1 12 12 LYS H H 12 7.873 7.873 7.507 0.366 18114
1381 1 16 . 1 1 13 13 ILE N N 13 118.338 118.338 119.199 -0.861 18114
1382 1 16 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.896 -0.214 18114
1383 1 16 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.807 0.290 18114
1384 1 16 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.620 0.629 18114
1385 1 16 . 1 1 13 13 ILE H H 13 8.331 8.331 8.638 -0.307 18114
1386 1 16 . 1 1 14 14 GLY N N 14 106.788 106.788 108.561 -1.773 18114
1387 1 16 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.594 0.021 18114
1388 1 16 . 1 1 14 14 GLY H H 14 8.393 8.393 8.602 -0.209 18114
1389 1 16 . 1 1 15 15 LYS N N 15 120.539 120.539 121.497 -0.958 18114
1390 1 16 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.114 -0.037 18114
1391 1 16 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.335 0.353 18114
1392 1 16 . 1 1 15 15 LYS H H 15 7.893 7.893 7.747 0.146 18114
1393 1 16 . 1 1 16 16 GLU N N 16 118.979 118.979 120.387 -1.408 18114
1394 1 16 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.067 0.347 18114
1395 1 16 . 1 1 16 16 GLU CA C 16 57.868 57.868 58.884 -1.016 18114
1396 1 16 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.754 -0.763 18114
1397 1 16 . 1 1 16 16 GLU H H 16 8.017 8.017 7.629 0.388 18114
1398 1 16 . 1 1 17 17 PHE N N 17 119.566 119.566 121.351 -1.785 18114
1399 1 16 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.078 0.088 18114
1400 1 16 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.496 0.063 18114
1401 1 16 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.081 0.115 18114
1402 1 16 . 1 1 17 17 PHE H H 17 8.639 8.639 9.295 -0.656 18114
1403 1 16 . 1 1 18 18 LYS N N 18 116.861 116.861 115.917 0.944 18114
1404 1 16 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.797 0.074 18114
1405 1 16 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.222 1.016 18114
1406 1 16 . 1 1 18 18 LYS H H 18 7.920 7.920 7.980 -0.060 18114
1407 1 16 . 1 1 19 19 ARG N N 19 117.527 117.527 117.396 0.131 18114
1408 1 16 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.258 -0.190 18114
1409 1 16 . 1 1 19 19 ARG CA C 19 58.728 58.728 57.228 1.500 18114
1410 1 16 . 1 1 19 19 ARG H H 19 7.617 7.617 8.112 -0.495 18114
1411 1 16 . 1 1 20 20 ILE N N 20 117.280 117.280 114.970 2.310 18114
1412 1 16 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.220 -0.388 18114
1413 1 16 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.179 -12.104 18114
1414 1 16 . 1 1 20 20 ILE H H 20 7.847 7.847 8.164 -0.317 18114
1415 1 16 . 1 1 21 21 VAL N N 21 114.417 114.417 122.373 -7.956 18114
1416 1 16 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.990 0.009 18114
1417 1 16 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.893 1.990 18114
1418 1 16 . 1 1 21 21 VAL CB C 21 31.795 31.795 29.809 1.986 18114
1419 1 16 . 1 1 21 21 VAL H H 21 7.639 7.639 8.126 -0.487 18114
1420 1 16 . 1 1 22 22 GLN N N 22 120.385 120.385 121.303 -0.918 18114
1421 1 16 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.929 0.296 18114
1422 1 16 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.616 -0.382 18114
1423 1 16 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.214 1.730 18114
1424 1 16 . 1 1 22 22 GLN H H 22 7.663 7.663 7.284 0.379 18114
1425 1 17 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.482 -0.329 18114
1426 1 17 . 1 1 2 2 LEU H H 2 9.421 9.421 8.369 1.052 18114
1427 1 17 . 1 1 3 3 GLY N N 3 107.592 107.592 106.526 1.066 18114
1428 1 17 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.890 -0.431 18114
1429 1 17 . 1 1 3 3 GLY H H 3 9.085 9.085 8.713 0.372 18114
1430 1 17 . 1 1 4 4 ASP N N 4 121.275 121.275 121.887 -0.612 18114
1431 1 17 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.456 0.082 18114
1432 1 17 . 1 1 4 4 ASP CA C 4 56.888 56.888 57.048 -0.160 18114
1433 1 17 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.512 0.502 18114
1434 1 17 . 1 1 4 4 ASP H H 4 8.089 8.089 8.005 0.084 18114
1435 1 17 . 1 1 5 5 PHE N N 5 120.407 120.407 121.759 -1.352 18114
1436 1 17 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.105 0.091 18114
1437 1 17 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.456 0.066 18114
1438 1 17 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.876 0.307 18114
1439 1 17 . 1 1 5 5 PHE H H 5 8.188 8.188 8.724 -0.536 18114
1440 1 17 . 1 1 6 6 PHE N N 6 119.753 119.753 119.617 0.136 18114
1441 1 17 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.583 0.518 18114
1442 1 17 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.117 -1.058 18114
1443 1 17 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.583 0.615 18114
1444 1 17 . 1 1 6 6 PHE H H 6 8.623 8.623 8.034 0.589 18114
1445 1 17 . 1 1 7 7 ARG N N 7 119.218 119.218 119.323 -0.105 18114
1446 1 17 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.877 -0.043 18114
1447 1 17 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.648 0.637 18114
1448 1 17 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.649 0.699 18114
1449 1 17 . 1 1 7 7 ARG H H 7 8.209 8.209 8.074 0.135 18114
1450 1 17 . 1 1 8 8 LYS N N 8 118.092 118.092 119.075 -0.983 18114
1451 1 17 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.042 0.076 18114
1452 1 17 . 1 1 8 8 LYS H H 8 8.194 8.194 7.595 0.599 18114
1453 1 17 . 1 1 9 9 SER N N 9 115.745 115.745 115.766 -0.021 18114
1454 1 17 . 1 1 9 9 SER HA H 9 4.161 4.161 4.025 0.136 18114
1455 1 17 . 1 1 9 9 SER CB C 9 63.069 63.069 62.477 0.591 18114
1456 1 17 . 1 1 9 9 SER H H 9 7.930 7.930 8.094 -0.164 18114
1457 1 17 . 1 1 10 10 LYS N N 10 121.966 121.966 121.300 0.666 18114
1458 1 17 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.868 -0.177 18114
1459 1 17 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.985 0.522 18114
1460 1 17 . 1 1 10 10 LYS H H 10 7.994 7.994 8.765 -0.771 18114
1461 1 17 . 1 1 11 11 GLU N N 11 118.796 118.796 118.896 -0.100 18114
1462 1 17 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.001 0.038 18114
1463 1 17 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.216 0.037 18114
1464 1 17 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.466 -0.299 18114
1465 1 17 . 1 1 11 11 GLU H H 11 8.001 8.001 7.725 0.276 18114
1466 1 17 . 1 1 12 12 LYS N N 12 119.513 119.513 120.152 -0.639 18114
1467 1 17 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.020 0.094 18114
1468 1 17 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.090 -0.314 18114
1469 1 17 . 1 1 12 12 LYS H H 12 7.873 7.873 7.515 0.358 18114
1470 1 17 . 1 1 13 13 ILE N N 13 118.338 118.338 119.510 -1.172 18114
1471 1 17 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.895 -0.213 18114
1472 1 17 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.538 -0.441 18114
1473 1 17 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.795 0.454 18114
1474 1 17 . 1 1 13 13 ILE H H 13 8.331 8.331 8.485 -0.154 18114
1475 1 17 . 1 1 14 14 GLY N N 14 106.788 106.788 106.687 0.101 18114
1476 1 17 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.563 0.052 18114
1477 1 17 . 1 1 14 14 GLY H H 14 8.393 8.393 8.244 0.149 18114
1478 1 17 . 1 1 15 15 LYS N N 15 120.539 120.539 121.733 -1.194 18114
1479 1 17 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.124 -0.047 18114
1480 1 17 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.288 0.400 18114
1481 1 17 . 1 1 15 15 LYS H H 15 7.893 7.893 7.398 0.495 18114
1482 1 17 . 1 1 16 16 GLU N N 16 118.979 118.979 120.148 -1.169 18114
1483 1 17 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.040 0.374 18114
1484 1 17 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.089 -1.221 18114
1485 1 17 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.437 -0.446 18114
1486 1 17 . 1 1 16 16 GLU H H 16 8.017 8.017 7.782 0.235 18114
1487 1 17 . 1 1 17 17 PHE N N 17 119.566 119.566 121.952 -2.386 18114
1488 1 17 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.118 0.048 18114
1489 1 17 . 1 1 17 17 PHE CA C 17 61.559 61.559 60.971 0.588 18114
1490 1 17 . 1 1 17 17 PHE CB C 17 39.196 39.196 38.912 0.284 18114
1491 1 17 . 1 1 17 17 PHE H H 17 8.639 8.639 9.302 -0.663 18114
1492 1 17 . 1 1 18 18 LYS N N 18 116.861 116.861 118.469 -1.608 18114
1493 1 17 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.781 0.090 18114
1494 1 17 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.564 0.674 18114
1495 1 17 . 1 1 18 18 LYS H H 18 7.920 7.920 7.856 0.064 18114
1496 1 17 . 1 1 19 19 ARG N N 19 117.527 117.527 117.409 0.118 18114
1497 1 17 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.182 -0.114 18114
1498 1 17 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.086 0.642 18114
1499 1 17 . 1 1 19 19 ARG H H 19 7.617 7.617 8.117 -0.500 18114
1500 1 17 . 1 1 20 20 ILE N N 20 117.280 117.280 117.460 -0.180 18114
1501 1 17 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.047 -0.215 18114
1502 1 17 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.968 -12.893 18114
1503 1 17 . 1 1 20 20 ILE H H 20 7.847 7.847 8.321 -0.474 18114
1504 1 17 . 1 1 21 21 VAL N N 21 114.417 114.417 121.975 -7.558 18114
1505 1 17 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.998 0.001 18114
1506 1 17 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.618 2.265 18114
1507 1 17 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.848 0.947 18114
1508 1 17 . 1 1 21 21 VAL H H 21 7.639 7.639 7.495 0.144 18114
1509 1 17 . 1 1 22 22 GLN N N 22 120.385 120.385 122.849 -2.464 18114
1510 1 17 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.049 0.176 18114
1511 1 17 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.755 -0.521 18114
1512 1 17 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.091 1.853 18114
1513 1 17 . 1 1 22 22 GLN H H 22 7.663 7.663 7.746 -0.083 18114
1514 1 18 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.097 0.056 18114
1515 1 18 . 1 1 2 2 LEU H H 2 9.421 9.421 8.702 0.719 18114
1516 1 18 . 1 1 3 3 GLY N N 3 107.592 107.592 104.986 2.606 18114
1517 1 18 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.708 -0.249 18114
1518 1 18 . 1 1 3 3 GLY H H 3 9.085 9.085 8.613 0.472 18114
1519 1 18 . 1 1 4 4 ASP N N 4 121.275 121.275 121.821 -0.546 18114
1520 1 18 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.428 0.110 18114
1521 1 18 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.522 0.366 18114
1522 1 18 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.278 0.736 18114
1523 1 18 . 1 1 4 4 ASP H H 4 8.089 8.089 8.702 -0.613 18114
1524 1 18 . 1 1 5 5 PHE N N 5 120.407 120.407 121.417 -1.010 18114
1525 1 18 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.054 0.142 18114
1526 1 18 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.291 0.231 18114
1527 1 18 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.770 0.413 18114
1528 1 18 . 1 1 5 5 PHE H H 5 8.188 8.188 8.425 -0.237 18114
1529 1 18 . 1 1 6 6 PHE N N 6 119.753 119.753 118.975 0.778 18114
1530 1 18 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.574 0.527 18114
1531 1 18 . 1 1 6 6 PHE CA C 6 61.059 61.059 62.398 -1.339 18114
1532 1 18 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.461 0.737 18114
1533 1 18 . 1 1 6 6 PHE H H 6 8.623 8.623 7.972 0.651 18114
1534 1 18 . 1 1 7 7 ARG N N 7 119.218 119.218 119.027 0.191 18114
1535 1 18 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.871 -0.037 18114
1536 1 18 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.982 0.303 18114
1537 1 18 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.910 0.438 18114
1538 1 18 . 1 1 7 7 ARG H H 7 8.209 8.209 7.940 0.269 18114
1539 1 18 . 1 1 8 8 LYS N N 8 118.092 118.092 119.140 -1.048 18114
1540 1 18 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.027 0.091 18114
1541 1 18 . 1 1 8 8 LYS H H 8 8.194 8.194 7.567 0.627 18114
1542 1 18 . 1 1 9 9 SER N N 9 115.745 115.745 116.612 -0.867 18114
1543 1 18 . 1 1 9 9 SER HA H 9 4.161 4.161 4.059 0.102 18114
1544 1 18 . 1 1 9 9 SER CB C 9 63.069 63.069 62.785 0.284 18114
1545 1 18 . 1 1 9 9 SER H H 9 7.930 7.930 7.884 0.046 18114
1546 1 18 . 1 1 10 10 LYS N N 10 121.966 121.966 121.474 0.492 18114
1547 1 18 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.945 -0.254 18114
1548 1 18 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.904 0.603 18114
1549 1 18 . 1 1 10 10 LYS H H 10 7.994 7.994 8.884 -0.890 18114
1550 1 18 . 1 1 11 11 GLU N N 11 118.796 118.796 118.941 -0.145 18114
1551 1 18 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.045 -0.006 18114
1552 1 18 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.662 -0.409 18114
1553 1 18 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.317 -0.150 18114
1554 1 18 . 1 1 11 11 GLU H H 11 8.001 8.001 7.708 0.293 18114
1555 1 18 . 1 1 12 12 LYS N N 12 119.513 119.513 119.661 -0.148 18114
1556 1 18 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.037 0.077 18114
1557 1 18 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.308 -0.532 18114
1558 1 18 . 1 1 12 12 LYS H H 12 7.873 7.873 7.353 0.520 18114
1559 1 18 . 1 1 13 13 ILE N N 13 118.338 118.338 119.691 -1.353 18114
1560 1 18 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.881 -0.199 18114
1561 1 18 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.933 0.164 18114
1562 1 18 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.694 0.555 18114
1563 1 18 . 1 1 13 13 ILE H H 13 8.331 8.331 8.521 -0.190 18114
1564 1 18 . 1 1 14 14 GLY N N 14 106.788 106.788 109.215 -2.427 18114
1565 1 18 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.559 0.056 18114
1566 1 18 . 1 1 14 14 GLY H H 14 8.393 8.393 8.384 0.009 18114
1567 1 18 . 1 1 15 15 LYS N N 15 120.539 120.539 121.861 -1.322 18114
1568 1 18 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.058 0.019 18114
1569 1 18 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.556 0.132 18114
1570 1 18 . 1 1 15 15 LYS H H 15 7.893 7.893 7.685 0.208 18114
1571 1 18 . 1 1 16 16 GLU N N 16 118.979 118.979 120.241 -1.262 18114
1572 1 18 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.016 0.398 18114
1573 1 18 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.328 -1.460 18114
1574 1 18 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.739 -0.748 18114
1575 1 18 . 1 1 16 16 GLU H H 16 8.017 8.017 7.730 0.287 18114
1576 1 18 . 1 1 17 17 PHE N N 17 119.566 119.566 120.419 -0.853 18114
1577 1 18 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.146 0.020 18114
1578 1 18 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.340 0.219 18114
1579 1 18 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.230 -0.034 18114
1580 1 18 . 1 1 17 17 PHE H H 17 8.639 8.639 9.288 -0.649 18114
1581 1 18 . 1 1 18 18 LYS N N 18 116.861 116.861 120.093 -3.232 18114
1582 1 18 . 1 1 18 18 LYS HA H 18 3.871 3.871 4.011 -0.140 18114
1583 1 18 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.158 0.080 18114
1584 1 18 . 1 1 18 18 LYS H H 18 7.920 7.920 7.988 -0.068 18114
1585 1 18 . 1 1 19 19 ARG N N 19 117.527 117.527 119.422 -1.895 18114
1586 1 18 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.018 0.050 18114
1587 1 18 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.818 -0.090 18114
1588 1 18 . 1 1 19 19 ARG H H 19 7.617 7.617 7.834 -0.217 18114
1589 1 18 . 1 1 20 20 ILE N N 20 117.280 117.280 119.589 -2.309 18114
1590 1 18 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.829 0.003 18114
1591 1 18 . 1 1 20 20 ILE CA C 20 51.075 51.075 64.091 -13.017 18114
1592 1 18 . 1 1 20 20 ILE H H 20 7.847 7.847 8.363 -0.516 18114
1593 1 18 . 1 1 21 21 VAL N N 21 114.417 114.417 120.726 -6.309 18114
1594 1 18 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.955 0.044 18114
1595 1 18 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.677 2.206 18114
1596 1 18 . 1 1 21 21 VAL CB C 21 31.795 31.795 29.382 2.413 18114
1597 1 18 . 1 1 21 21 VAL H H 21 7.639 7.639 7.253 0.386 18114
1598 1 18 . 1 1 22 22 GLN N N 22 120.385 120.385 122.963 -2.578 18114
1599 1 18 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.936 0.289 18114
1600 1 18 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.136 0.098 18114
1601 1 18 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.407 1.537 18114
1602 1 18 . 1 1 22 22 GLN H H 22 7.663 7.663 7.759 -0.096 18114
1603 1 19 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.288 -0.135 18114
1604 1 19 . 1 1 2 2 LEU H H 2 9.421 9.421 8.633 0.788 18114
1605 1 19 . 1 1 3 3 GLY N N 3 107.592 107.592 105.350 2.242 18114
1606 1 19 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.676 -0.217 18114
1607 1 19 . 1 1 3 3 GLY H H 3 9.085 9.085 8.634 0.451 18114
1608 1 19 . 1 1 4 4 ASP N N 4 121.275 121.275 122.395 -1.120 18114
1609 1 19 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.482 0.056 18114
1610 1 19 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.175 0.714 18114
1611 1 19 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.834 0.180 18114
1612 1 19 . 1 1 4 4 ASP H H 4 8.089 8.089 7.736 0.353 18114
1613 1 19 . 1 1 5 5 PHE N N 5 120.407 120.407 121.288 -0.881 18114
1614 1 19 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.049 0.147 18114
1615 1 19 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.274 0.248 18114
1616 1 19 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.605 0.578 18114
1617 1 19 . 1 1 5 5 PHE H H 5 8.188 8.188 8.547 -0.359 18114
1618 1 19 . 1 1 6 6 PHE N N 6 119.753 119.753 119.193 0.560 18114
1619 1 19 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.577 0.524 18114
1620 1 19 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.993 -0.934 18114
1621 1 19 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.477 0.721 18114
1622 1 19 . 1 1 6 6 PHE H H 6 8.623 8.623 8.071 0.552 18114
1623 1 19 . 1 1 7 7 ARG N N 7 119.218 119.218 120.130 -0.912 18114
1624 1 19 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.866 -0.032 18114
1625 1 19 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.731 0.554 18114
1626 1 19 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.658 0.690 18114
1627 1 19 . 1 1 7 7 ARG H H 7 8.209 8.209 7.940 0.269 18114
1628 1 19 . 1 1 8 8 LYS N N 8 118.092 118.092 119.801 -1.709 18114
1629 1 19 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.370 -0.252 18114
1630 1 19 . 1 1 8 8 LYS H H 8 8.194 8.194 7.605 0.589 18114
1631 1 19 . 1 1 9 9 SER N N 9 115.745 115.745 116.628 -0.883 18114
1632 1 19 . 1 1 9 9 SER HA H 9 4.161 4.161 4.021 0.140 18114
1633 1 19 . 1 1 9 9 SER CB C 9 63.069 63.069 62.621 0.448 18114
1634 1 19 . 1 1 9 9 SER H H 9 7.930 7.930 7.947 -0.017 18114
1635 1 19 . 1 1 10 10 LYS N N 10 121.966 121.966 121.800 0.166 18114
1636 1 19 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.883 -0.192 18114
1637 1 19 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.919 0.588 18114
1638 1 19 . 1 1 10 10 LYS H H 10 7.994 7.994 8.893 -0.899 18114
1639 1 19 . 1 1 11 11 GLU N N 11 118.796 118.796 119.307 -0.511 18114
1640 1 19 . 1 1 11 11 GLU HA H 11 4.039 4.039 3.969 0.070 18114
1641 1 19 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.536 -0.283 18114
1642 1 19 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.399 -0.233 18114
1643 1 19 . 1 1 11 11 GLU H H 11 8.001 8.001 7.709 0.292 18114
1644 1 19 . 1 1 12 12 LYS N N 12 119.513 119.513 119.215 0.298 18114
1645 1 19 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.024 0.090 18114
1646 1 19 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.038 -0.263 18114
1647 1 19 . 1 1 12 12 LYS H H 12 7.873 7.873 7.435 0.438 18114
1648 1 19 . 1 1 13 13 ILE N N 13 118.338 118.338 119.285 -0.947 18114
1649 1 19 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.830 -0.148 18114
1650 1 19 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.051 0.046 18114
1651 1 19 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.491 0.758 18114
1652 1 19 . 1 1 13 13 ILE H H 13 8.331 8.331 8.694 -0.363 18114
1653 1 19 . 1 1 14 14 GLY N N 14 106.788 106.788 109.263 -2.475 18114
1654 1 19 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.647 -0.032 18114
1655 1 19 . 1 1 14 14 GLY H H 14 8.393 8.393 8.593 -0.200 18114
1656 1 19 . 1 1 15 15 LYS N N 15 120.539 120.539 121.909 -1.370 18114
1657 1 19 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.001 0.076 18114
1658 1 19 . 1 1 15 15 LYS CA C 15 59.688 59.688 58.943 0.745 18114
1659 1 19 . 1 1 15 15 LYS H H 15 7.893 7.893 7.670 0.223 18114
1660 1 19 . 1 1 16 16 GLU N N 16 118.979 118.979 119.225 -0.246 18114
1661 1 19 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.137 0.277 18114
1662 1 19 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.033 -1.165 18114
1663 1 19 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.442 -0.452 18114
1664 1 19 . 1 1 16 16 GLU H H 16 8.017 8.017 7.715 0.302 18114
1665 1 19 . 1 1 17 17 PHE N N 17 119.566 119.566 120.104 -0.538 18114
1666 1 19 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.346 -0.180 18114
1667 1 19 . 1 1 17 17 PHE CA C 17 61.559 61.559 59.329 2.230 18114
1668 1 19 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.090 0.105 18114
1669 1 19 . 1 1 17 17 PHE H H 17 8.639 8.639 9.168 -0.529 18114
1670 1 19 . 1 1 18 18 LYS N N 18 116.861 116.861 120.129 -3.268 18114
1671 1 19 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.710 0.161 18114
1672 1 19 . 1 1 18 18 LYS CA C 18 59.238 59.238 58.711 0.527 18114
1673 1 19 . 1 1 18 18 LYS H H 18 7.920 7.920 8.688 -0.768 18114
1674 1 19 . 1 1 19 19 ARG N N 19 117.527 117.527 117.049 0.478 18114
1675 1 19 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.256 -0.188 18114
1676 1 19 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.044 0.684 18114
1677 1 19 . 1 1 19 19 ARG H H 19 7.617 7.617 7.607 0.010 18114
1678 1 19 . 1 1 20 20 ILE N N 20 117.280 117.280 116.088 1.192 18114
1679 1 19 . 1 1 20 20 ILE HA H 20 3.832 3.832 4.184 -0.352 18114
1680 1 19 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.531 -12.456 18114
1681 1 19 . 1 1 20 20 ILE H H 20 7.847 7.847 7.586 0.261 18114
1682 1 19 . 1 1 21 21 VAL N N 21 114.417 114.417 120.571 -6.154 18114
1683 1 19 . 1 1 21 21 VAL HA H 21 3.999 3.999 3.946 0.053 18114
1684 1 19 . 1 1 21 21 VAL CA C 21 62.883 62.883 61.495 1.387 18114
1685 1 19 . 1 1 21 21 VAL CB C 21 31.795 31.795 31.072 0.723 18114
1686 1 19 . 1 1 21 21 VAL H H 21 7.639 7.639 7.456 0.183 18114
1687 1 19 . 1 1 22 22 GLN N N 22 120.385 120.385 120.949 -0.564 18114
1688 1 19 . 1 1 22 22 GLN HA H 22 4.225 4.225 3.955 0.270 18114
1689 1 19 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.829 -0.595 18114
1690 1 19 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.925 2.019 18114
1691 1 19 . 1 1 22 22 GLN H H 22 7.663 7.663 7.836 -0.173 18114
1692 1 20 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.787 -0.634 18114
1693 1 20 . 1 1 2 2 LEU H H 2 9.421 9.421 8.172 1.249 18114
1694 1 20 . 1 1 3 3 GLY N N 3 107.592 107.592 107.784 -0.192 18114
1695 1 20 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.738 -0.279 18114
1696 1 20 . 1 1 3 3 GLY H H 3 9.085 9.085 8.666 0.419 18114
1697 1 20 . 1 1 4 4 ASP N N 4 121.275 121.275 121.573 -0.298 18114
1698 1 20 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.482 0.056 18114
1699 1 20 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.416 0.472 18114
1700 1 20 . 1 1 4 4 ASP CB C 4 41.014 41.014 39.938 1.076 18114
1701 1 20 . 1 1 4 4 ASP H H 4 8.089 8.089 8.709 -0.620 18114
1702 1 20 . 1 1 5 5 PHE N N 5 120.407 120.407 121.549 -1.142 18114
1703 1 20 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.055 0.141 18114
1704 1 20 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.237 0.285 18114
1705 1 20 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.802 0.381 18114
1706 1 20 . 1 1 5 5 PHE H H 5 8.188 8.188 8.486 -0.298 18114
1707 1 20 . 1 1 6 6 PHE N N 6 119.753 119.753 119.002 0.751 18114
1708 1 20 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.688 0.413 18114
1709 1 20 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.841 -0.782 18114
1710 1 20 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.553 0.645 18114
1711 1 20 . 1 1 6 6 PHE H H 6 8.623 8.623 8.070 0.553 18114
1712 1 20 . 1 1 7 7 ARG N N 7 119.218 119.218 120.217 -0.999 18114
1713 1 20 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.857 -0.023 18114
1714 1 20 . 1 1 7 7 ARG CA C 7 60.285 60.285 60.035 0.250 18114
1715 1 20 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.837 0.511 18114
1716 1 20 . 1 1 7 7 ARG H H 7 8.209 8.209 8.056 0.153 18114
1717 1 20 . 1 1 8 8 LYS N N 8 118.092 118.092 118.677 -0.585 18114
1718 1 20 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.178 -0.060 18114
1719 1 20 . 1 1 8 8 LYS H H 8 8.194 8.194 7.682 0.512 18114
1720 1 20 . 1 1 9 9 SER N N 9 115.745 115.745 115.319 0.426 18114
1721 1 20 . 1 1 9 9 SER HA H 9 4.161 4.161 4.056 0.105 18114
1722 1 20 . 1 1 9 9 SER CB C 9 63.069 63.069 62.300 0.769 18114
1723 1 20 . 1 1 9 9 SER H H 9 7.930 7.930 7.764 0.166 18114
1724 1 20 . 1 1 10 10 LYS N N 10 121.966 121.966 121.310 0.656 18114
1725 1 20 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.896 -0.205 18114
1726 1 20 . 1 1 10 10 LYS CA C 10 60.507 60.507 60.006 0.501 18114
1727 1 20 . 1 1 10 10 LYS H H 10 7.994 7.994 8.872 -0.878 18114
1728 1 20 . 1 1 11 11 GLU N N 11 118.796 118.796 119.286 -0.490 18114
1729 1 20 . 1 1 11 11 GLU HA H 11 4.039 4.039 3.993 0.046 18114
1730 1 20 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.515 -0.262 18114
1731 1 20 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.386 -0.219 18114
1732 1 20 . 1 1 11 11 GLU H H 11 8.001 8.001 7.765 0.236 18114
1733 1 20 . 1 1 12 12 LYS N N 12 119.513 119.513 119.952 -0.439 18114
1734 1 20 . 1 1 12 12 LYS HA H 12 4.114 4.114 3.995 0.119 18114
1735 1 20 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.412 -0.636 18114
1736 1 20 . 1 1 12 12 LYS H H 12 7.873 7.873 7.377 0.496 18114
1737 1 20 . 1 1 13 13 ILE N N 13 118.338 118.338 119.149 -0.811 18114
1738 1 20 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.915 -0.233 18114
1739 1 20 . 1 1 13 13 ILE CA C 13 65.097 65.097 64.782 0.315 18114
1740 1 20 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.798 0.451 18114
1741 1 20 . 1 1 13 13 ILE H H 13 8.331 8.331 8.572 -0.241 18114
1742 1 20 . 1 1 14 14 GLY N N 14 106.788 106.788 109.118 -2.330 18114
1743 1 20 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.610 0.005 18114
1744 1 20 . 1 1 14 14 GLY H H 14 8.393 8.393 8.604 -0.211 18114
1745 1 20 . 1 1 15 15 LYS N N 15 120.539 120.539 121.812 -1.273 18114
1746 1 20 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.092 -0.015 18114
1747 1 20 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.470 0.218 18114
1748 1 20 . 1 1 15 15 LYS H H 15 7.893 7.893 7.678 0.214 18114
1749 1 20 . 1 1 16 16 GLU N N 16 118.979 118.979 120.398 -1.419 18114
1750 1 20 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.022 0.392 18114
1751 1 20 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.252 -1.384 18114
1752 1 20 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.771 -0.780 18114
1753 1 20 . 1 1 16 16 GLU H H 16 8.017 8.017 7.644 0.373 18114
1754 1 20 . 1 1 17 17 PHE N N 17 119.566 119.566 120.793 -1.227 18114
1755 1 20 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.118 0.048 18114
1756 1 20 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.137 0.422 18114
1757 1 20 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.053 0.143 18114
1758 1 20 . 1 1 17 17 PHE H H 17 8.639 8.639 9.323 -0.684 18114
1759 1 20 . 1 1 18 18 LYS N N 18 116.861 116.861 118.813 -1.952 18114
1760 1 20 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.690 0.181 18114
1761 1 20 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.828 -0.590 18114
1762 1 20 . 1 1 18 18 LYS H H 18 7.920 7.920 7.923 -0.003 18114
1763 1 20 . 1 1 19 19 ARG N N 19 117.527 117.527 117.161 0.366 18114
1764 1 20 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.145 -0.077 18114
1765 1 20 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.361 0.367 18114
1766 1 20 . 1 1 19 19 ARG H H 19 7.617 7.617 7.467 0.150 18114
1767 1 20 . 1 1 20 20 ILE N N 20 117.280 117.280 120.387 -3.107 18114
1768 1 20 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.945 -0.113 18114
1769 1 20 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.541 -12.466 18114
1770 1 20 . 1 1 20 20 ILE H H 20 7.847 7.847 8.228 -0.381 18114
1771 1 20 . 1 1 21 21 VAL N N 21 114.417 114.417 121.394 -6.977 18114
1772 1 20 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.013 -0.014 18114
1773 1 20 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.065 2.818 18114
1774 1 20 . 1 1 21 21 VAL CB C 21 31.795 31.795 29.302 2.493 18114
1775 1 20 . 1 1 21 21 VAL H H 21 7.639 7.639 8.205 -0.566 18114
1776 1 20 . 1 1 22 22 GLN N N 22 120.385 120.385 122.912 -2.527 18114
1777 1 20 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.112 0.113 18114
1778 1 20 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.287 -0.053 18114
1779 1 20 . 1 1 22 22 GLN CB C 22 28.944 28.944 26.694 2.250 18114
1780 1 20 . 1 1 22 22 GLN H H 22 7.663 7.663 7.881 -0.218 18114
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 20 2.087 0.883 1.940 18114
2 1 1 "Average Difference" HA 23 0.212 -0.043 0.213 18114
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18114
4 1 1 "Average Difference" CA 18 3.059 0.415 3.119 18114
5 1 1 "Average Difference" CB 11 0.875 -0.483 0.765 18114
6 1 1 "Average Difference" HN 21 0.448 -0.079 0.452 18114
7 1 2 "Average Difference" N 20 2.498 1.493 2.055 18114
8 1 2 "Average Difference" HA 23 0.224 -0.045 0.224 18114
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18114
10 1 2 "Average Difference" CA 18 3.093 0.651 3.111 18114
11 1 2 "Average Difference" CB 11 1.014 -0.623 0.839 18114
12 1 2 "Average Difference" HN 21 0.548 0.045 0.559 18114
13 1 3 "Average Difference" N 20 2.093 1.272 1.705 18114
14 1 3 "Average Difference" HA 23 0.276 -0.061 0.276 18114
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18114
16 1 3 "Average Difference" CA 18 3.002 0.482 3.049 18114
17 1 3 "Average Difference" CB 11 0.677 -0.407 0.567 18114
18 1 3 "Average Difference" HN 21 0.535 0.038 0.547 18114
19 1 4 "Average Difference" N 20 1.649 0.771 1.495 18114
20 1 4 "Average Difference" HA 23 0.273 -0.101 0.259 18114
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18114
22 1 4 "Average Difference" CA 18 2.850 0.739 2.832 18114
23 1 4 "Average Difference" CB 11 0.640 -0.321 0.581 18114
24 1 4 "Average Difference" HN 21 0.480 -0.042 0.490 18114
25 1 5 "Average Difference" N 20 1.927 1.114 1.613 18114
26 1 5 "Average Difference" HA 23 0.309 -0.074 0.306 18114
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18114
28 1 5 "Average Difference" CA 18 3.135 0.543 3.177 18114
29 1 5 "Average Difference" CB 11 0.700 -0.401 0.602 18114
30 1 5 "Average Difference" HN 21 0.466 -0.057 0.474 18114
31 1 6 "Average Difference" N 20 1.974 1.258 1.561 18114
32 1 6 "Average Difference" HA 23 0.251 -0.056 0.251 18114
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18114
34 1 6 "Average Difference" CA 18 3.096 0.500 3.144 18114
35 1 6 "Average Difference" CB 11 0.821 -0.450 0.720 18114
36 1 6 "Average Difference" HN 21 0.515 -0.045 0.525 18114
37 1 7 "Average Difference" N 20 2.053 0.937 1.874 18114
38 1 7 "Average Difference" HA 23 0.268 -0.089 0.258 18114
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18114
40 1 7 "Average Difference" CA 18 3.271 0.711 3.286 18114
41 1 7 "Average Difference" CB 11 0.977 -0.584 0.821 18114
42 1 7 "Average Difference" HN 21 0.487 -0.034 0.498 18114
43 1 8 "Average Difference" N 20 2.059 1.041 1.822 18114
44 1 8 "Average Difference" HA 23 0.265 -0.069 0.262 18114
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18114
46 1 8 "Average Difference" CA 18 3.167 0.539 3.212 18114
47 1 8 "Average Difference" CB 11 0.616 -0.360 0.524 18114
48 1 8 "Average Difference" HN 21 0.511 0.021 0.524 18114
49 1 9 "Average Difference" N 20 2.154 1.054 1.927 18114
50 1 9 "Average Difference" HA 23 0.213 -0.087 0.199 18114
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18114
52 1 9 "Average Difference" CA 18 3.080 0.633 3.102 18114
53 1 9 "Average Difference" CB 11 0.960 -0.496 0.862 18114
54 1 9 "Average Difference" HN 21 0.466 -0.059 0.474 18114
55 1 10 "Average Difference" N 20 1.727 0.890 1.518 18114
56 1 10 "Average Difference" HA 23 0.245 -0.071 0.240 18114
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18114
58 1 10 "Average Difference" CA 18 3.197 0.773 3.192 18114
59 1 10 "Average Difference" CB 11 1.094 -0.546 0.995 18114
60 1 10 "Average Difference" HN 21 0.453 -0.032 0.463 18114
61 1 11 "Average Difference" N 20 2.022 1.234 1.644 18114
62 1 11 "Average Difference" HA 23 0.288 -0.066 0.286 18114
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18114
64 1 11 "Average Difference" CA 18 3.194 0.635 3.221 18114
65 1 11 "Average Difference" CB 11 0.835 -0.505 0.698 18114
66 1 11 "Average Difference" HN 21 0.505 0.037 0.516 18114
67 1 12 "Average Difference" N 20 1.796 0.783 1.659 18114
68 1 12 "Average Difference" HA 23 0.188 -0.070 0.178 18114
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18114
70 1 12 "Average Difference" CA 18 2.970 0.591 2.995 18114
71 1 12 "Average Difference" CB 11 0.364 -0.111 0.363 18114
72 1 12 "Average Difference" HN 21 0.460 -0.097 0.461 18114
73 1 13 "Average Difference" N 20 2.337 1.187 2.066 18114
74 1 13 "Average Difference" HA 23 0.212 -0.071 0.204 18114
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18114
76 1 13 "Average Difference" CA 18 3.187 0.620 3.217 18114
77 1 13 "Average Difference" CB 11 0.878 -0.453 0.789 18114
78 1 13 "Average Difference" HN 21 0.449 -0.094 0.450 18114
79 1 14 "Average Difference" N 20 1.927 0.922 1.736 18114
80 1 14 "Average Difference" HA 23 0.232 -0.092 0.218 18114
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18114
82 1 14 "Average Difference" CA 18 3.270 0.840 3.252 18114
83 1 14 "Average Difference" CB 11 0.940 -0.447 0.867 18114
84 1 14 "Average Difference" HN 21 0.464 -0.027 0.475 18114
85 1 15 "Average Difference" N 20 2.130 1.208 1.800 18114
86 1 15 "Average Difference" HA 23 0.242 -0.103 0.224 18114
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18114
88 1 15 "Average Difference" CA 18 3.074 0.564 3.109 18114
89 1 15 "Average Difference" CB 11 0.726 -0.393 0.640 18114
90 1 15 "Average Difference" HN 21 0.505 0.002 0.517 18114
91 1 16 "Average Difference" N 20 2.158 0.625 2.119 18114
92 1 16 "Average Difference" HA 23 0.263 -0.099 0.249 18114
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18114
94 1 16 "Average Difference" CA 18 2.961 0.431 3.015 18114
95 1 16 "Average Difference" CB 11 0.943 -0.586 0.775 18114
96 1 16 "Average Difference" HN 21 0.466 -0.002 0.477 18114
97 1 17 "Average Difference" N 20 2.011 0.973 1.806 18114
98 1 17 "Average Difference" HA 23 0.229 -0.081 0.219 18114
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18114
100 1 17 "Average Difference" CA 18 3.134 0.620 3.161 18114
101 1 17 "Average Difference" CB 11 0.767 -0.501 0.609 18114
102 1 17 "Average Difference" HN 21 0.457 -0.057 0.464 18114
103 1 18 "Average Difference" N 20 2.103 1.162 1.799 18114
104 1 18 "Average Difference" HA 23 0.224 -0.111 0.198 18114
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18114
106 1 18 "Average Difference" CA 18 3.158 0.702 3.168 18114
107 1 18 "Average Difference" CB 11 0.982 -0.562 0.844 18114
108 1 18 "Average Difference" HN 21 0.451 -0.048 0.459 18114
109 1 19 "Average Difference" N 20 1.898 0.832 1.750 18114
110 1 19 "Average Difference" HA 23 0.231 -0.067 0.226 18114
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18114
112 1 19 "Average Difference" CA 18 3.049 0.457 3.102 18114
113 1 19 "Average Difference" CB 11 0.798 -0.504 0.649 18114
114 1 19 "Average Difference" HN 21 0.447 -0.067 0.453 18114
115 1 20 "Average Difference" N 20 2.053 1.178 1.724 18114
116 1 20 "Average Difference" HA 23 0.230 -0.053 0.229 18114
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18114
118 1 20 "Average Difference" CA 18 3.054 0.600 3.081 18114
119 1 20 "Average Difference" CB 11 1.157 -0.702 0.965 18114
120 1 20 "Average Difference" HN 21 0.497 -0.020 0.509 18114
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 18114
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LEU HA H 2 4.153 4.153 4.409 -0.256 18114
2 1 . 1 1 2 2 LEU H H 2 9.421 9.421 8.451 0.970 18114
3 1 . 1 1 3 3 GLY N N 3 107.592 107.592 106.251 1.341 18114
4 1 . 1 1 3 3 GLY CA C 3 47.459 47.459 47.707 -0.248 18114
5 1 . 1 1 3 3 GLY H H 3 9.085 9.085 8.651 0.434 18114
6 1 . 1 1 4 4 ASP N N 4 121.275 121.275 122.218 -0.943 18114
7 1 . 1 1 4 4 ASP HA H 4 4.538 4.538 4.471 0.067 18114
8 1 . 1 1 4 4 ASP CA C 4 56.888 56.888 56.762 0.126 18114
9 1 . 1 1 4 4 ASP CB C 4 41.014 41.014 40.568 0.447 18114
10 1 . 1 1 4 4 ASP H H 4 8.089 8.089 8.276 -0.187 18114
11 1 . 1 1 5 5 PHE N N 5 120.407 120.407 121.241 -0.834 18114
12 1 . 1 1 5 5 PHE HA H 5 4.196 4.196 4.066 0.130 18114
13 1 . 1 1 5 5 PHE CA C 5 61.522 61.522 61.236 0.286 18114
14 1 . 1 1 5 5 PHE CB C 5 39.183 39.183 38.695 0.488 18114
15 1 . 1 1 5 5 PHE H H 5 8.188 8.188 8.619 -0.431 18114
16 1 . 1 1 6 6 PHE N N 6 119.753 119.753 119.332 0.421 18114
17 1 . 1 1 6 6 PHE HA H 6 4.101 4.101 3.459 0.642 18114
18 1 . 1 1 6 6 PHE CA C 6 61.059 61.059 61.860 -0.801 18114
19 1 . 1 1 6 6 PHE CB C 6 39.198 39.198 38.413 0.785 18114
20 1 . 1 1 6 6 PHE H H 6 8.623 8.623 7.963 0.660 18114
21 1 . 1 1 7 7 ARG N N 7 119.218 119.218 119.171 0.047 18114
22 1 . 1 1 7 7 ARG HA H 7 3.834 3.834 3.863 -0.029 18114
23 1 . 1 1 7 7 ARG CA C 7 60.285 60.285 59.928 0.357 18114
24 1 . 1 1 7 7 ARG CB C 7 30.348 30.348 29.826 0.522 18114
25 1 . 1 1 7 7 ARG H H 7 8.209 8.209 8.061 0.148 18114
26 1 . 1 1 8 8 LYS N N 8 118.092 118.092 119.032 -0.940 18114
27 1 . 1 1 8 8 LYS HA H 8 4.118 4.118 4.135 -0.017 18114
28 1 . 1 1 8 8 LYS H H 8 8.194 8.194 7.596 0.598 18114
29 1 . 1 1 9 9 SER N N 9 115.745 115.745 116.366 -0.621 18114
30 1 . 1 1 9 9 SER HA H 9 4.161 4.161 4.084 0.077 18114
31 1 . 1 1 9 9 SER CB C 9 63.069 63.069 62.543 0.526 18114
32 1 . 1 1 9 9 SER H H 9 7.930 7.930 7.914 0.016 18114
33 1 . 1 1 10 10 LYS N N 10 121.966 121.966 121.656 0.310 18114
34 1 . 1 1 10 10 LYS HA H 10 3.691 3.691 3.913 -0.222 18114
35 1 . 1 1 10 10 LYS CA C 10 60.507 60.507 59.690 0.818 18114
36 1 . 1 1 10 10 LYS H H 10 7.994 7.994 8.845 -0.851 18114
37 1 . 1 1 11 11 GLU N N 11 118.796 118.796 119.115 -0.319 18114
38 1 . 1 1 11 11 GLU HA H 11 4.039 4.039 4.023 0.016 18114
39 1 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.525 -0.272 18114
40 1 . 1 1 11 11 GLU CB C 11 29.167 29.167 29.440 -0.273 18114
41 1 . 1 1 11 11 GLU H H 11 8.001 8.001 7.755 0.246 18114
42 1 . 1 1 12 12 LYS N N 12 119.513 119.513 119.994 -0.481 18114
43 1 . 1 1 12 12 LYS HA H 12 4.114 4.114 4.037 0.076 18114
44 1 . 1 1 12 12 LYS CA C 12 58.776 58.776 59.260 -0.484 18114
45 1 . 1 1 12 12 LYS H H 12 7.873 7.873 7.465 0.408 18114
46 1 . 1 1 13 13 ILE N N 13 118.338 118.338 119.415 -1.077 18114
47 1 . 1 1 13 13 ILE HA H 13 3.682 3.682 3.861 -0.179 18114
48 1 . 1 1 13 13 ILE CA C 13 65.097 65.097 65.046 0.051 18114
49 1 . 1 1 13 13 ILE CB C 13 38.249 38.249 37.696 0.553 18114
50 1 . 1 1 13 13 ILE H H 13 8.331 8.331 8.668 -0.337 18114
51 1 . 1 1 14 14 GLY N N 14 106.788 106.788 108.818 -2.030 18114
52 1 . 1 1 14 14 GLY CA C 14 47.615 47.615 47.610 0.005 18114
53 1 . 1 1 14 14 GLY H H 14 8.393 8.393 8.522 -0.129 18114
54 1 . 1 1 15 15 LYS N N 15 120.539 120.539 121.723 -1.184 18114
55 1 . 1 1 15 15 LYS HA H 15 4.077 4.077 4.123 -0.046 18114
56 1 . 1 1 15 15 LYS CA C 15 59.688 59.688 59.287 0.401 18114
57 1 . 1 1 15 15 LYS H H 15 7.893 7.893 7.679 0.214 18114
58 1 . 1 1 16 16 GLU N N 16 118.979 118.979 120.272 -1.293 18114
59 1 . 1 1 16 16 GLU HA H 16 4.414 4.414 4.062 0.352 18114
60 1 . 1 1 16 16 GLU CA C 16 57.868 57.868 59.247 -1.379 18114
61 1 . 1 1 16 16 GLU CB C 16 28.991 28.991 29.737 -0.746 18114
62 1 . 1 1 16 16 GLU H H 16 8.017 8.017 7.789 0.228 18114
63 1 . 1 1 17 17 PHE N N 17 119.566 119.566 120.635 -1.069 18114
64 1 . 1 1 17 17 PHE HA H 17 4.166 4.166 4.174 -0.008 18114
65 1 . 1 1 17 17 PHE CA C 17 61.559 61.559 61.087 0.472 18114
66 1 . 1 1 17 17 PHE CB C 17 39.196 39.196 39.104 0.092 18114
67 1 . 1 1 17 17 PHE H H 17 8.639 8.639 9.272 -0.633 18114
68 1 . 1 1 18 18 LYS N N 18 116.861 116.861 118.831 -1.970 18114
69 1 . 1 1 18 18 LYS HA H 18 3.871 3.871 3.764 0.107 18114
70 1 . 1 1 18 18 LYS CA C 18 59.238 59.238 59.137 0.101 18114
71 1 . 1 1 18 18 LYS H H 18 7.920 7.920 8.047 -0.127 18114
72 1 . 1 1 19 19 ARG N N 19 117.527 117.527 117.796 -0.269 18114
73 1 . 1 1 19 19 ARG HA H 19 4.068 4.068 4.154 -0.086 18114
74 1 . 1 1 19 19 ARG CA C 19 58.728 58.728 58.339 0.389 18114
75 1 . 1 1 19 19 ARG H H 19 7.617 7.617 7.626 -0.009 18114
76 1 . 1 1 20 20 ILE N N 20 117.280 117.280 119.163 -1.883 18114
77 1 . 1 1 20 20 ILE HA H 20 3.832 3.832 3.949 -0.117 18114
78 1 . 1 1 20 20 ILE CA C 20 51.075 51.075 63.820 -12.745 18114
79 1 . 1 1 20 20 ILE H H 20 7.847 7.847 8.109 -0.262 18114
80 1 . 1 1 21 21 VAL N N 21 114.417 114.417 120.499 -6.082 18114
81 1 . 1 1 21 21 VAL HA H 21 3.999 3.999 4.000 -0.001 18114
82 1 . 1 1 21 21 VAL CA C 21 62.883 62.883 60.918 1.965 18114
83 1 . 1 1 21 21 VAL CB C 21 31.795 31.795 30.664 1.131 18114
84 1 . 1 1 21 21 VAL H H 21 7.639 7.639 7.742 -0.103 18114
85 1 . 1 1 22 22 GLN N N 22 120.385 120.385 122.326 -1.941 18114
86 1 . 1 1 22 22 GLN HA H 22 4.225 4.225 4.080 0.145 18114
87 1 . 1 1 22 22 GLN CA C 22 56.234 56.234 56.117 0.117 18114
88 1 . 1 1 22 22 GLN CB C 22 28.944 28.944 27.280 1.664 18114
89 1 . 1 1 22 22 GLN H H 22 7.663 7.663 7.868 -0.205 18114
stop_
save_