data_19833
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19833
_Entry.PDB_ID 2MLV
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 19833
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LYS N N 2 124.507 124.507 121.428 3.079 19833
2 1 1 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.439 -0.041 19833
3 1 1 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.353 0.625 19833
4 1 1 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.797 0.323 19833
5 1 1 . 1 1 2 2 LYS H H 2 9.055 9.055 8.202 0.853 19833
6 1 1 . 1 1 3 3 THR N N 3 116.151 116.151 115.771 0.380 19833
7 1 1 . 1 1 3 3 THR HA H 3 4.228 4.228 4.510 -0.282 19833
8 1 1 . 1 1 3 3 THR CA C 3 64.622 64.622 60.882 3.740 19833
9 1 1 . 1 1 3 3 THR CB C 3 69.037 69.037 68.670 0.367 19833
10 1 1 . 1 1 3 3 THR H H 3 8.487 8.487 7.956 0.531 19833
11 1 1 . 1 1 4 4 ILE N N 4 121.254 121.254 123.681 -2.427 19833
12 1 1 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.050 0.070 19833
13 1 1 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.777 1.028 19833
14 1 1 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.815 0.317 19833
15 1 1 . 1 1 4 4 ILE H H 4 8.561 8.561 8.070 0.491 19833
16 1 1 . 1 1 5 5 LEU N N 5 119.718 119.718 119.536 0.182 19833
17 1 1 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.979 0.219 19833
18 1 1 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.023 -0.601 19833
19 1 1 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.988 0.279 19833
20 1 1 . 1 1 5 5 LEU H H 5 7.944 7.944 8.153 -0.209 19833
21 1 1 . 1 1 6 6 ARG N N 6 118.685 118.685 118.845 -0.160 19833
22 1 1 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.089 0.054 19833
23 1 1 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.221 0.644 19833
24 1 1 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.324 0.537 19833
25 1 1 . 1 1 6 6 ARG H H 6 8.013 8.013 7.765 0.248 19833
26 1 1 . 1 1 7 7 PHE N N 7 118.774 118.774 121.087 -2.313 19833
27 1 1 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.475 0.021 19833
28 1 1 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.480 -0.143 19833
29 1 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.819 0.131 19833
30 1 1 . 1 1 8 8 VAL N N 8 116.545 116.545 119.419 -2.874 19833
31 1 1 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.290 0.616 19833
32 1 1 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.319 -1.204 19833
33 1 1 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.891 1.182 19833
34 1 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.698 -0.684 19833
35 1 1 . 1 1 9 9 ALA N N 9 121.564 121.564 122.412 -0.848 19833
36 1 1 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.998 0.243 19833
37 1 1 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.725 -1.087 19833
38 1 1 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.921 0.726 19833
39 1 1 . 1 1 9 9 ALA H H 9 8.087 8.087 7.899 0.188 19833
40 1 1 . 1 1 10 10 GLY N N 10 104.760 104.760 105.324 -0.564 19833
41 1 1 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833
42 1 1 . 1 1 10 10 GLY H H 10 8.143 8.143 7.842 0.301 19833
43 1 1 . 1 1 11 11 TYR N N 11 121.166 121.166 122.675 -1.509 19833
44 1 1 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.185 0.150 19833
45 1 1 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.584 -0.452 19833
46 1 1 . 1 1 11 11 TYR H H 11 8.010 8.010 7.536 0.474 19833
47 1 1 . 1 1 12 12 ASP N N 12 119.461 119.461 120.128 -0.667 19833
48 1 1 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833
49 1 1 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.244 -0.738 19833
50 1 1 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.682 -2.443 19833
51 1 1 . 1 1 12 12 ASP H H 12 8.416 8.416 8.628 -0.212 19833
52 1 1 . 1 1 13 13 ILE N N 13 120.538 120.538 119.499 1.039 19833
53 1 1 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.995 0.007 19833
54 1 1 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.308 -0.981 19833
55 1 1 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.417 0.195 19833
56 1 1 . 1 1 13 13 ILE H H 13 8.155 8.155 7.205 0.950 19833
57 1 1 . 1 1 14 14 ALA N N 14 123.708 123.708 122.154 1.554 19833
58 1 1 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.891 0.358 19833
59 1 1 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.318 -1.398 19833
60 1 1 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.779 1.206 19833
61 1 1 . 1 1 14 14 ALA H H 14 8.276 8.276 8.257 0.019 19833
62 1 1 . 1 1 15 15 SER N N 15 112.747 112.747 112.576 0.171 19833
63 1 1 . 1 1 15 15 SER HA H 15 4.306 4.306 3.966 0.340 19833
64 1 1 . 1 1 15 15 SER CA C 15 59.618 59.618 60.734 -1.116 19833
65 1 1 . 1 1 15 15 SER CB C 15 63.522 63.522 62.963 0.559 19833
66 1 1 . 1 1 15 15 SER H H 15 8.068 8.068 8.064 0.004 19833
67 1 1 . 1 1 16 16 HIS N N 16 119.224 119.224 119.789 -0.565 19833
68 1 1 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.457 0.250 19833
69 1 1 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.056 -1.368 19833
70 1 1 . 1 1 16 16 HIS H H 16 8.161 8.161 7.664 0.497 19833
71 1 1 . 1 1 17 17 LYS N N 17 120.978 120.978 118.168 2.810 19833
72 1 1 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.011 0.331 19833
73 1 1 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.132 -1.264 19833
74 1 1 . 1 1 17 17 LYS H H 17 8.083 8.083 7.990 0.093 19833
75 1 1 . 1 1 18 18 LYS N N 18 121.764 121.764 117.528 4.236 19833
76 1 1 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.216 0.129 19833
77 1 1 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.215 0.452 19833
78 1 1 . 1 1 18 18 LYS H H 18 8.235 8.235 7.700 0.535 19833
79 1 1 . 1 1 19 19 LYS N N 19 122.420 122.420 120.027 2.393 19833
80 1 1 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.038 0.377 19833
81 1 1 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.137 -0.390 19833
82 1 1 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.841 2.606 19833
83 1 1 . 1 1 19 19 LYS H H 19 8.397 8.397 7.891 0.506 19833
84 1 1 . 1 1 20 20 THR N N 20 114.054 114.054 117.875 -3.821 19833
85 1 1 . 1 1 20 20 THR HA H 20 4.417 4.417 4.306 0.111 19833
86 1 1 . 1 1 20 20 THR CA C 20 61.883 61.883 61.864 0.019 19833
87 1 1 . 1 1 20 20 THR CB C 20 69.985 69.985 69.795 0.190 19833
88 1 1 . 1 1 20 20 THR H H 20 8.093 8.093 8.130 -0.037 19833
89 1 1 . 1 1 21 21 GLY N N 21 110.822 110.822 113.348 -2.526 19833
90 1 1 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.269 0.071 19833
91 1 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.453 -0.093 19833
92 1 1 . 1 1 22 22 GLY N N 22 107.828 107.828 109.947 -2.119 19833
93 1 1 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.462 0.396 19833
94 1 1 . 1 1 22 22 GLY H H 22 8.144 8.144 7.672 0.472 19833
95 1 1 . 1 1 23 23 TYR N N 23 119.305 119.305 124.719 -5.414 19833
96 1 1 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.091 0.427 19833
97 1 1 . 1 1 23 23 TYR H H 23 7.871 7.871 8.146 -0.275 19833
98 1 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.392 -0.001 19833
99 1 1 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.523 0.125 19833
100 1 1 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.338 -0.634 19833
101 1 1 . 1 1 25 25 TRP N N 25 113.569 113.569 116.968 -3.399 19833
102 1 1 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.914 -0.524 19833
103 1 1 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.977 -0.347 19833
104 1 1 . 1 1 25 25 TRP H H 25 6.927 6.927 7.157 -0.230 19833
105 1 1 . 1 1 26 26 GLU N N 26 120.107 120.107 120.751 -0.644 19833
106 1 1 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.488 -0.019 19833
107 1 1 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.711 0.167 19833
108 1 1 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.471 0.470 19833
109 1 1 . 1 1 26 26 GLU H H 26 7.657 7.657 7.544 0.113 19833
110 1 1 . 1 1 27 27 ARG N N 27 120.913 120.913 119.994 0.919 19833
111 1 1 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.504 -0.139 19833
112 1 1 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.120 1.423 19833
113 1 1 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.304 0.602 19833
114 1 1 . 1 1 27 27 ARG H H 27 8.164 8.164 7.414 0.750 19833
115 1 1 . 1 1 28 28 GLY N N 28 109.371 109.371 108.399 0.972 19833
116 1 1 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.311 0.159 19833
117 1 1 . 1 1 28 28 GLY H H 28 8.487 8.487 8.430 0.057 19833
118 1 1 . 1 1 29 29 LYS N N 29 120.511 120.511 117.314 3.197 19833
119 1 1 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.791 0.626 19833
120 1 1 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.804 -0.749 19833
121 1 1 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.255 2.873 19833
122 1 1 . 1 1 29 29 LYS H H 29 8.116 8.116 8.525 -0.409 19833
123 1 2 . 1 1 2 2 LYS N N 2 124.507 124.507 120.956 3.551 19833
124 1 2 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.593 -0.195 19833
125 1 2 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.357 0.621 19833
126 1 2 . 1 1 2 2 LYS CB C 2 33.120 33.120 33.113 0.007 19833
127 1 2 . 1 1 2 2 LYS H H 2 9.055 9.055 8.560 0.495 19833
128 1 2 . 1 1 3 3 THR N N 3 116.151 116.151 114.341 1.810 19833
129 1 2 . 1 1 3 3 THR HA H 3 4.228 4.228 4.528 -0.300 19833
130 1 2 . 1 1 3 3 THR CA C 3 64.622 64.622 61.721 2.901 19833
131 1 2 . 1 1 3 3 THR CB C 3 69.037 69.037 69.486 -0.449 19833
132 1 2 . 1 1 3 3 THR H H 3 8.487 8.487 7.835 0.652 19833
133 1 2 . 1 1 4 4 ILE N N 4 121.254 121.254 124.178 -2.924 19833
134 1 2 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.034 0.086 19833
135 1 2 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.825 0.980 19833
136 1 2 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.676 0.456 19833
137 1 2 . 1 1 4 4 ILE H H 4 8.561 8.561 8.185 0.376 19833
138 1 2 . 1 1 5 5 LEU N N 5 119.718 119.718 119.519 0.199 19833
139 1 2 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.057 0.141 19833
140 1 2 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.657 -0.236 19833
141 1 2 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.622 0.645 19833
142 1 2 . 1 1 5 5 LEU H H 5 7.944 7.944 7.890 0.054 19833
143 1 2 . 1 1 6 6 ARG N N 6 118.685 118.685 118.855 -0.170 19833
144 1 2 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.093 0.050 19833
145 1 2 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.225 0.640 19833
146 1 2 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.334 0.527 19833
147 1 2 . 1 1 6 6 ARG H H 6 8.013 8.013 7.781 0.232 19833
148 1 2 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833
149 1 2 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.458 0.038 19833
150 1 2 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.728 -0.391 19833
151 1 2 . 1 1 7 7 PHE H H 7 7.950 7.950 7.817 0.133 19833
152 1 2 . 1 1 8 8 VAL N N 8 116.545 116.545 119.023 -2.478 19833
153 1 2 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.221 0.685 19833
154 1 2 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.201 -1.086 19833
155 1 2 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.292 0.781 19833
156 1 2 . 1 1 8 8 VAL H H 8 8.014 8.014 8.798 -0.784 19833
157 1 2 . 1 1 9 9 ALA N N 9 121.564 121.564 122.337 -0.773 19833
158 1 2 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.005 0.236 19833
159 1 2 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.689 -1.051 19833
160 1 2 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.944 0.703 19833
161 1 2 . 1 1 9 9 ALA H H 9 8.087 8.087 7.920 0.167 19833
162 1 2 . 1 1 10 10 GLY N N 10 104.760 104.760 105.332 -0.572 19833
163 1 2 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.483 -1.069 19833
164 1 2 . 1 1 10 10 GLY H H 10 8.143 8.143 7.839 0.304 19833
165 1 2 . 1 1 11 11 TYR N N 11 121.166 121.166 122.641 -1.475 19833
166 1 2 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.170 0.165 19833
167 1 2 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.666 -0.534 19833
168 1 2 . 1 1 11 11 TYR H H 11 8.010 8.010 7.586 0.424 19833
169 1 2 . 1 1 12 12 ASP N N 12 119.461 119.461 120.036 -0.575 19833
170 1 2 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.460 0.164 19833
171 1 2 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.558 -1.052 19833
172 1 2 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.770 -2.531 19833
173 1 2 . 1 1 12 12 ASP H H 12 8.416 8.416 8.606 -0.190 19833
174 1 2 . 1 1 13 13 ILE N N 13 120.538 120.538 119.235 1.303 19833
175 1 2 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.909 0.093 19833
176 1 2 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.300 -0.972 19833
177 1 2 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.442 0.170 19833
178 1 2 . 1 1 13 13 ILE H H 13 8.155 8.155 7.195 0.960 19833
179 1 2 . 1 1 14 14 ALA N N 14 123.708 123.708 122.414 1.294 19833
180 1 2 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.967 0.282 19833
181 1 2 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.341 -1.421 19833
182 1 2 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.876 1.109 19833
183 1 2 . 1 1 14 14 ALA H H 14 8.276 8.276 8.278 -0.002 19833
184 1 2 . 1 1 15 15 SER N N 15 112.747 112.747 112.995 -0.248 19833
185 1 2 . 1 1 15 15 SER HA H 15 4.306 4.306 3.989 0.317 19833
186 1 2 . 1 1 15 15 SER CA C 15 59.618 59.618 60.748 -1.130 19833
187 1 2 . 1 1 15 15 SER CB C 15 63.522 63.522 63.120 0.402 19833
188 1 2 . 1 1 15 15 SER H H 15 8.068 8.068 8.109 -0.041 19833
189 1 2 . 1 1 16 16 HIS N N 16 119.224 119.224 120.111 -0.887 19833
190 1 2 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.481 0.226 19833
191 1 2 . 1 1 16 16 HIS CB C 16 28.688 28.688 29.965 -1.277 19833
192 1 2 . 1 1 16 16 HIS H H 16 8.161 8.161 7.722 0.439 19833
193 1 2 . 1 1 17 17 LYS N N 17 120.978 120.978 118.659 2.319 19833
194 1 2 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.209 0.133 19833
195 1 2 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.053 -1.185 19833
196 1 2 . 1 1 17 17 LYS H H 17 8.083 8.083 8.007 0.076 19833
197 1 2 . 1 1 18 18 LYS N N 18 121.764 121.764 117.715 4.049 19833
198 1 2 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.220 0.125 19833
199 1 2 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.418 0.249 19833
200 1 2 . 1 1 18 18 LYS H H 18 8.235 8.235 7.915 0.320 19833
201 1 2 . 1 1 19 19 LYS N N 19 122.420 122.420 120.091 2.329 19833
202 1 2 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.016 0.399 19833
203 1 2 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.061 -0.314 19833
204 1 2 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.645 2.802 19833
205 1 2 . 1 1 19 19 LYS H H 19 8.397 8.397 8.038 0.359 19833
206 1 2 . 1 1 20 20 THR N N 20 114.054 114.054 116.285 -2.231 19833
207 1 2 . 1 1 20 20 THR HA H 20 4.417 4.417 4.347 0.070 19833
208 1 2 . 1 1 20 20 THR CA C 20 61.883 61.883 61.444 0.439 19833
209 1 2 . 1 1 20 20 THR CB C 20 69.985 69.985 69.614 0.371 19833
210 1 2 . 1 1 20 20 THR H H 20 8.093 8.093 8.144 -0.051 19833
211 1 2 . 1 1 21 21 GLY N N 21 110.822 110.822 110.676 0.146 19833
212 1 2 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.793 0.547 19833
213 1 2 . 1 1 21 21 GLY H H 21 8.360 8.360 8.276 0.084 19833
214 1 2 . 1 1 22 22 GLY N N 22 107.828 107.828 110.461 -2.633 19833
215 1 2 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.703 -0.845 19833
216 1 2 . 1 1 22 22 GLY H H 22 8.144 8.144 7.682 0.462 19833
217 1 2 . 1 1 23 23 TYR N N 23 119.305 119.305 125.665 -6.360 19833
218 1 2 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.053 0.465 19833
219 1 2 . 1 1 23 23 TYR H H 23 7.871 7.871 8.202 -0.331 19833
220 1 2 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.386 0.005 19833
221 1 2 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.485 0.163 19833
222 1 2 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.359 -0.655 19833
223 1 2 . 1 1 25 25 TRP N N 25 113.569 113.569 115.535 -1.966 19833
224 1 2 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.780 -0.390 19833
225 1 2 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.148 -0.519 19833
226 1 2 . 1 1 25 25 TRP H H 25 6.927 6.927 7.087 -0.160 19833
227 1 2 . 1 1 26 26 GLU N N 26 120.107 120.107 120.462 -0.355 19833
228 1 2 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.480 -0.011 19833
229 1 2 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.126 -0.248 19833
230 1 2 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.466 0.475 19833
231 1 2 . 1 1 26 26 GLU H H 26 7.657 7.657 7.375 0.282 19833
232 1 2 . 1 1 27 27 ARG N N 27 120.913 120.913 119.711 1.202 19833
233 1 2 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.479 -0.114 19833
234 1 2 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.712 0.831 19833
235 1 2 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.209 0.697 19833
236 1 2 . 1 1 27 27 ARG H H 27 8.164 8.164 8.314 -0.150 19833
237 1 2 . 1 1 28 28 GLY N N 28 109.371 109.371 108.609 0.762 19833
238 1 2 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.882 0.589 19833
239 1 2 . 1 1 28 28 GLY H H 28 8.487 8.487 8.308 0.179 19833
240 1 2 . 1 1 29 29 LYS N N 29 120.511 120.511 123.869 -3.358 19833
241 1 2 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.502 -0.085 19833
242 1 2 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.836 0.219 19833
243 1 2 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.094 1.034 19833
244 1 2 . 1 1 29 29 LYS H H 29 8.116 8.116 8.423 -0.307 19833
245 1 3 . 1 1 2 2 LYS N N 2 124.507 124.507 121.653 2.854 19833
246 1 3 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.443 -0.045 19833
247 1 3 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.111 0.867 19833
248 1 3 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.971 0.149 19833
249 1 3 . 1 1 2 2 LYS H H 2 9.055 9.055 8.346 0.709 19833
250 1 3 . 1 1 3 3 THR N N 3 116.151 116.151 115.351 0.800 19833
251 1 3 . 1 1 3 3 THR HA H 3 4.228 4.228 4.492 -0.264 19833
252 1 3 . 1 1 3 3 THR CA C 3 64.622 64.622 60.753 3.869 19833
253 1 3 . 1 1 3 3 THR CB C 3 69.037 69.037 68.409 0.628 19833
254 1 3 . 1 1 3 3 THR H H 3 8.487 8.487 8.038 0.449 19833
255 1 3 . 1 1 4 4 ILE N N 4 121.254 121.254 123.166 -1.912 19833
256 1 3 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.031 0.089 19833
257 1 3 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.782 1.023 19833
258 1 3 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.907 0.225 19833
259 1 3 . 1 1 4 4 ILE H H 4 8.561 8.561 8.090 0.471 19833
260 1 3 . 1 1 5 5 LEU N N 5 119.718 119.718 119.518 0.200 19833
261 1 3 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.970 0.228 19833
262 1 3 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.027 -0.606 19833
263 1 3 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.972 0.295 19833
264 1 3 . 1 1 5 5 LEU H H 5 7.944 7.944 8.144 -0.200 19833
265 1 3 . 1 1 6 6 ARG N N 6 118.685 118.685 118.823 -0.138 19833
266 1 3 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833
267 1 3 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.244 0.621 19833
268 1 3 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.336 0.525 19833
269 1 3 . 1 1 6 6 ARG H H 6 8.013 8.013 7.772 0.241 19833
270 1 3 . 1 1 7 7 PHE N N 7 118.774 118.774 121.165 -2.391 19833
271 1 3 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.483 0.013 19833
272 1 3 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.371 19833
273 1 3 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833
274 1 3 . 1 1 8 8 VAL N N 8 116.545 116.545 118.938 -2.393 19833
275 1 3 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.294 0.612 19833
276 1 3 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.657 -0.543 19833
277 1 3 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.416 1.657 19833
278 1 3 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833
279 1 3 . 1 1 9 9 ALA N N 9 121.564 121.564 122.481 -0.917 19833
280 1 3 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.013 0.228 19833
281 1 3 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.665 -1.027 19833
282 1 3 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.063 0.584 19833
283 1 3 . 1 1 9 9 ALA H H 9 8.087 8.087 7.939 0.148 19833
284 1 3 . 1 1 10 10 GLY N N 10 104.760 104.760 105.382 -0.622 19833
285 1 3 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.498 -1.085 19833
286 1 3 . 1 1 10 10 GLY H H 10 8.143 8.143 7.849 0.294 19833
287 1 3 . 1 1 11 11 TYR N N 11 121.166 121.166 122.636 -1.470 19833
288 1 3 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.150 0.185 19833
289 1 3 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.708 -0.576 19833
290 1 3 . 1 1 11 11 TYR H H 11 8.010 8.010 7.559 0.451 19833
291 1 3 . 1 1 12 12 ASP N N 12 119.461 119.461 120.404 -0.943 19833
292 1 3 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.439 0.185 19833
293 1 3 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.622 -1.116 19833
294 1 3 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.681 -2.442 19833
295 1 3 . 1 1 12 12 ASP H H 12 8.416 8.416 8.604 -0.188 19833
296 1 3 . 1 1 13 13 ILE N N 13 120.538 120.538 120.146 0.392 19833
297 1 3 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.816 0.186 19833
298 1 3 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.859 -1.531 19833
299 1 3 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.203 0.409 19833
300 1 3 . 1 1 13 13 ILE H H 13 8.155 8.155 7.306 0.849 19833
301 1 3 . 1 1 14 14 ALA N N 14 123.708 123.708 122.137 1.571 19833
302 1 3 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.890 0.359 19833
303 1 3 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.436 -1.516 19833
304 1 3 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.753 1.232 19833
305 1 3 . 1 1 14 14 ALA H H 14 8.276 8.276 8.235 0.041 19833
306 1 3 . 1 1 15 15 SER N N 15 112.747 112.747 112.220 0.527 19833
307 1 3 . 1 1 15 15 SER HA H 15 4.306 4.306 3.970 0.336 19833
308 1 3 . 1 1 15 15 SER CA C 15 59.618 59.618 61.195 -1.577 19833
309 1 3 . 1 1 15 15 SER CB C 15 63.522 63.522 63.194 0.328 19833
310 1 3 . 1 1 15 15 SER H H 15 8.068 8.068 8.014 0.054 19833
311 1 3 . 1 1 16 16 HIS N N 16 119.224 119.224 120.364 -1.140 19833
312 1 3 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.441 0.266 19833
313 1 3 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.125 -1.437 19833
314 1 3 . 1 1 16 16 HIS H H 16 8.161 8.161 7.602 0.559 19833
315 1 3 . 1 1 17 17 LYS N N 17 120.978 120.978 118.463 2.515 19833
316 1 3 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.170 0.172 19833
317 1 3 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.142 -1.274 19833
318 1 3 . 1 1 17 17 LYS H H 17 8.083 8.083 8.208 -0.125 19833
319 1 3 . 1 1 18 18 LYS N N 18 121.764 121.764 116.800 4.964 19833
320 1 3 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.214 0.131 19833
321 1 3 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.586 0.081 19833
322 1 3 . 1 1 18 18 LYS H H 18 8.235 8.235 7.832 0.403 19833
323 1 3 . 1 1 19 19 LYS N N 19 122.420 122.420 119.211 3.209 19833
324 1 3 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.014 0.401 19833
325 1 3 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.971 -0.224 19833
326 1 3 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.669 2.778 19833
327 1 3 . 1 1 19 19 LYS H H 19 8.397 8.397 7.894 0.503 19833
328 1 3 . 1 1 20 20 THR N N 20 114.054 114.054 116.098 -2.044 19833
329 1 3 . 1 1 20 20 THR HA H 20 4.417 4.417 4.381 0.036 19833
330 1 3 . 1 1 20 20 THR CA C 20 61.883 61.883 60.553 1.330 19833
331 1 3 . 1 1 20 20 THR CB C 20 69.985 69.985 69.900 0.085 19833
332 1 3 . 1 1 20 20 THR H H 20 8.093 8.093 8.166 -0.073 19833
333 1 3 . 1 1 21 21 GLY N N 21 110.822 110.822 111.128 -0.306 19833
334 1 3 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.585 0.755 19833
335 1 3 . 1 1 21 21 GLY H H 21 8.360 8.360 8.322 0.038 19833
336 1 3 . 1 1 22 22 GLY N N 22 107.828 107.828 108.947 -1.119 19833
337 1 3 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.358 0.500 19833
338 1 3 . 1 1 22 22 GLY H H 22 8.144 8.144 7.361 0.783 19833
339 1 3 . 1 1 23 23 TYR N N 23 119.305 119.305 124.659 -5.354 19833
340 1 3 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.190 0.328 19833
341 1 3 . 1 1 23 23 TYR H H 23 7.871 7.871 8.184 -0.313 19833
342 1 3 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.392 -0.001 19833
343 1 3 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.569 0.079 19833
344 1 3 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.400 -0.696 19833
345 1 3 . 1 1 25 25 TRP N N 25 113.569 113.569 116.409 -2.840 19833
346 1 3 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.945 -0.555 19833
347 1 3 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.253 -0.624 19833
348 1 3 . 1 1 25 25 TRP H H 25 6.927 6.927 7.273 -0.346 19833
349 1 3 . 1 1 26 26 GLU N N 26 120.107 120.107 122.497 -2.390 19833
350 1 3 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.571 -0.102 19833
351 1 3 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.499 0.379 19833
352 1 3 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.105 0.836 19833
353 1 3 . 1 1 26 26 GLU H H 26 7.657 7.657 7.628 0.029 19833
354 1 3 . 1 1 27 27 ARG N N 27 120.913 120.913 119.251 1.662 19833
355 1 3 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.450 -0.085 19833
356 1 3 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.967 0.576 19833
357 1 3 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.212 0.694 19833
358 1 3 . 1 1 27 27 ARG H H 27 8.164 8.164 7.447 0.717 19833
359 1 3 . 1 1 28 28 GLY N N 28 109.371 109.371 107.849 1.522 19833
360 1 3 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.591 0.879 19833
361 1 3 . 1 1 28 28 GLY H H 28 8.487 8.487 8.043 0.444 19833
362 1 3 . 1 1 29 29 LYS N N 29 120.511 120.511 118.959 1.552 19833
363 1 3 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.914 0.503 19833
364 1 3 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.924 -0.869 19833
365 1 3 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.867 2.261 19833
366 1 3 . 1 1 29 29 LYS H H 29 8.116 8.116 8.203 -0.087 19833
367 1 4 . 1 1 2 2 LYS N N 2 124.507 124.507 123.011 1.496 19833
368 1 4 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.107 0.291 19833
369 1 4 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.444 -0.466 19833
370 1 4 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.191 0.929 19833
371 1 4 . 1 1 2 2 LYS H H 2 9.055 9.055 8.660 0.395 19833
372 1 4 . 1 1 3 3 THR N N 3 116.151 116.151 114.315 1.836 19833
373 1 4 . 1 1 3 3 THR HA H 3 4.228 4.228 4.528 -0.300 19833
374 1 4 . 1 1 3 3 THR CA C 3 64.622 64.622 60.124 4.498 19833
375 1 4 . 1 1 3 3 THR CB C 3 69.037 69.037 68.586 0.451 19833
376 1 4 . 1 1 3 3 THR H H 3 8.487 8.487 7.758 0.729 19833
377 1 4 . 1 1 4 4 ILE N N 4 121.254 121.254 123.373 -2.119 19833
378 1 4 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.045 0.075 19833
379 1 4 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.796 1.009 19833
380 1 4 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.975 0.157 19833
381 1 4 . 1 1 4 4 ILE H H 4 8.561 8.561 7.689 0.872 19833
382 1 4 . 1 1 5 5 LEU N N 5 119.718 119.718 119.462 0.256 19833
383 1 4 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.972 0.226 19833
384 1 4 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.043 -0.622 19833
385 1 4 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.971 0.296 19833
386 1 4 . 1 1 5 5 LEU H H 5 7.944 7.944 8.120 -0.176 19833
387 1 4 . 1 1 6 6 ARG N N 6 118.685 118.685 118.813 -0.128 19833
388 1 4 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.079 0.064 19833
389 1 4 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.245 0.620 19833
390 1 4 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.341 0.520 19833
391 1 4 . 1 1 6 6 ARG H H 6 8.013 8.013 7.763 0.250 19833
392 1 4 . 1 1 7 7 PHE N N 7 118.774 118.774 121.080 -2.306 19833
393 1 4 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.466 0.030 19833
394 1 4 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.478 -0.141 19833
395 1 4 . 1 1 7 7 PHE H H 7 7.950 7.950 7.812 0.138 19833
396 1 4 . 1 1 8 8 VAL N N 8 116.545 116.545 119.415 -2.870 19833
397 1 4 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.283 0.623 19833
398 1 4 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.316 -1.201 19833
399 1 4 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.884 1.189 19833
400 1 4 . 1 1 8 8 VAL H H 8 8.014 8.014 8.692 -0.678 19833
401 1 4 . 1 1 9 9 ALA N N 9 121.564 121.564 122.392 -0.828 19833
402 1 4 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.974 0.267 19833
403 1 4 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.715 -1.077 19833
404 1 4 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.896 0.751 19833
405 1 4 . 1 1 9 9 ALA H H 9 8.087 8.087 7.890 0.197 19833
406 1 4 . 1 1 10 10 GLY N N 10 104.760 104.760 105.334 -0.574 19833
407 1 4 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.475 -1.061 19833
408 1 4 . 1 1 10 10 GLY H H 10 8.143 8.143 7.832 0.311 19833
409 1 4 . 1 1 11 11 TYR N N 11 121.166 121.166 122.602 -1.436 19833
410 1 4 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.189 0.146 19833
411 1 4 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.523 -0.390 19833
412 1 4 . 1 1 11 11 TYR H H 11 8.010 8.010 7.517 0.493 19833
413 1 4 . 1 1 12 12 ASP N N 12 119.461 119.461 120.044 -0.583 19833
414 1 4 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833
415 1 4 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.112 -0.606 19833
416 1 4 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.769 -2.530 19833
417 1 4 . 1 1 12 12 ASP H H 12 8.416 8.416 8.573 -0.157 19833
418 1 4 . 1 1 13 13 ILE N N 13 120.538 120.538 119.728 0.810 19833
419 1 4 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.817 0.185 19833
420 1 4 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.537 -1.209 19833
421 1 4 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.244 0.368 19833
422 1 4 . 1 1 13 13 ILE H H 13 8.155 8.155 7.275 0.880 19833
423 1 4 . 1 1 14 14 ALA N N 14 123.708 123.708 122.094 1.614 19833
424 1 4 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.927 0.322 19833
425 1 4 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.447 -1.527 19833
426 1 4 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.914 1.071 19833
427 1 4 . 1 1 14 14 ALA H H 14 8.276 8.276 8.255 0.021 19833
428 1 4 . 1 1 15 15 SER N N 15 112.747 112.747 112.359 0.388 19833
429 1 4 . 1 1 15 15 SER HA H 15 4.306 4.306 3.981 0.325 19833
430 1 4 . 1 1 15 15 SER CA C 15 59.618 59.618 60.964 -1.346 19833
431 1 4 . 1 1 15 15 SER CB C 15 63.522 63.522 63.341 0.181 19833
432 1 4 . 1 1 15 15 SER H H 15 8.068 8.068 8.090 -0.022 19833
433 1 4 . 1 1 16 16 HIS N N 16 119.224 119.224 120.720 -1.496 19833
434 1 4 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.461 0.246 19833
435 1 4 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.022 -1.334 19833
436 1 4 . 1 1 16 16 HIS H H 16 8.161 8.161 7.617 0.544 19833
437 1 4 . 1 1 17 17 LYS N N 17 120.978 120.978 118.585 2.393 19833
438 1 4 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.284 0.058 19833
439 1 4 . 1 1 17 17 LYS CA C 17 56.868 56.868 57.836 -0.968 19833
440 1 4 . 1 1 17 17 LYS H H 17 8.083 8.083 8.082 0.001 19833
441 1 4 . 1 1 18 18 LYS N N 18 121.764 121.764 117.485 4.279 19833
442 1 4 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.218 0.127 19833
443 1 4 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.871 -0.204 19833
444 1 4 . 1 1 18 18 LYS H H 18 8.235 8.235 7.886 0.349 19833
445 1 4 . 1 1 19 19 LYS N N 19 122.420 122.420 119.007 3.413 19833
446 1 4 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.143 0.272 19833
447 1 4 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.942 -0.195 19833
448 1 4 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.369 2.078 19833
449 1 4 . 1 1 19 19 LYS H H 19 8.397 8.397 7.980 0.417 19833
450 1 4 . 1 1 20 20 THR N N 20 114.054 114.054 116.611 -2.557 19833
451 1 4 . 1 1 20 20 THR HA H 20 4.417 4.417 4.437 -0.020 19833
452 1 4 . 1 1 20 20 THR CA C 20 61.883 61.883 61.485 0.398 19833
453 1 4 . 1 1 20 20 THR CB C 20 69.985 69.985 70.041 -0.056 19833
454 1 4 . 1 1 20 20 THR H H 20 8.093 8.093 7.957 0.136 19833
455 1 4 . 1 1 21 21 GLY N N 21 110.822 110.822 112.621 -1.799 19833
456 1 4 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.377 -0.037 19833
457 1 4 . 1 1 21 21 GLY H H 21 8.360 8.360 8.466 -0.106 19833
458 1 4 . 1 1 22 22 GLY N N 22 107.828 107.828 108.245 -0.417 19833
459 1 4 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.316 -0.458 19833
460 1 4 . 1 1 22 22 GLY H H 22 8.144 8.144 8.020 0.124 19833
461 1 4 . 1 1 23 23 TYR N N 23 119.305 119.305 121.702 -2.397 19833
462 1 4 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.322 0.196 19833
463 1 4 . 1 1 23 23 TYR H H 23 7.871 7.871 8.151 -0.280 19833
464 1 4 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.405 -0.014 19833
465 1 4 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.458 0.190 19833
466 1 4 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.343 -0.639 19833
467 1 4 . 1 1 25 25 TRP N N 25 113.569 113.569 116.327 -2.758 19833
468 1 4 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.975 -0.585 19833
469 1 4 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.337 -0.708 19833
470 1 4 . 1 1 25 25 TRP H H 25 6.927 6.927 7.385 -0.458 19833
471 1 4 . 1 1 26 26 GLU N N 26 120.107 120.107 122.647 -2.540 19833
472 1 4 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.542 -0.073 19833
473 1 4 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.893 -0.015 19833
474 1 4 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.759 1.182 19833
475 1 4 . 1 1 26 26 GLU H H 26 7.657 7.657 7.741 -0.084 19833
476 1 4 . 1 1 27 27 ARG N N 27 120.913 120.913 118.816 2.097 19833
477 1 4 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.550 -0.185 19833
478 1 4 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.850 0.693 19833
479 1 4 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.894 1.012 19833
480 1 4 . 1 1 27 27 ARG H H 27 8.164 8.164 7.502 0.662 19833
481 1 4 . 1 1 28 28 GLY N N 28 109.371 109.371 110.636 -1.265 19833
482 1 4 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.259 0.211 19833
483 1 4 . 1 1 28 28 GLY H H 28 8.487 8.487 8.633 -0.146 19833
484 1 4 . 1 1 29 29 LYS N N 29 120.511 120.511 119.550 0.961 19833
485 1 4 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.630 -0.213 19833
486 1 4 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.539 0.516 19833
487 1 4 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.918 -0.790 19833
488 1 4 . 1 1 29 29 LYS H H 29 8.116 8.116 8.216 -0.100 19833
489 1 5 . 1 1 2 2 LYS N N 2 124.507 124.507 123.187 1.320 19833
490 1 5 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.238 0.160 19833
491 1 5 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.611 -0.633 19833
492 1 5 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.691 0.429 19833
493 1 5 . 1 1 2 2 LYS H H 2 9.055 9.055 8.425 0.630 19833
494 1 5 . 1 1 3 3 THR N N 3 116.151 116.151 113.557 2.594 19833
495 1 5 . 1 1 3 3 THR HA H 3 4.228 4.228 4.468 -0.240 19833
496 1 5 . 1 1 3 3 THR CA C 3 64.622 64.622 60.732 3.890 19833
497 1 5 . 1 1 3 3 THR CB C 3 69.037 69.037 68.606 0.431 19833
498 1 5 . 1 1 3 3 THR H H 3 8.487 8.487 7.989 0.498 19833
499 1 5 . 1 1 4 4 ILE N N 4 121.254 121.254 123.254 -2.000 19833
500 1 5 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.042 0.078 19833
501 1 5 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.638 1.167 19833
502 1 5 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.846 0.286 19833
503 1 5 . 1 1 4 4 ILE H H 4 8.561 8.561 7.550 1.011 19833
504 1 5 . 1 1 5 5 LEU N N 5 119.718 119.718 119.570 0.148 19833
505 1 5 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.968 0.230 19833
506 1 5 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.065 -0.644 19833
507 1 5 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.957 0.310 19833
508 1 5 . 1 1 5 5 LEU H H 5 7.944 7.944 8.099 -0.155 19833
509 1 5 . 1 1 6 6 ARG N N 6 118.685 118.685 118.833 -0.148 19833
510 1 5 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833
511 1 5 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.213 0.652 19833
512 1 5 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.311 0.550 19833
513 1 5 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833
514 1 5 . 1 1 7 7 PHE N N 7 118.774 118.774 121.152 -2.378 19833
515 1 5 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.486 0.010 19833
516 1 5 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.372 19833
517 1 5 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833
518 1 5 . 1 1 8 8 VAL N N 8 116.545 116.545 118.936 -2.391 19833
519 1 5 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.297 0.609 19833
520 1 5 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.644 -0.529 19833
521 1 5 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.417 1.656 19833
522 1 5 . 1 1 8 8 VAL H H 8 8.014 8.014 8.747 -0.733 19833
523 1 5 . 1 1 9 9 ALA N N 9 121.564 121.564 122.510 -0.946 19833
524 1 5 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.015 0.226 19833
525 1 5 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.641 -1.003 19833
526 1 5 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.083 0.564 19833
527 1 5 . 1 1 9 9 ALA H H 9 8.087 8.087 7.932 0.155 19833
528 1 5 . 1 1 10 10 GLY N N 10 104.760 104.760 105.285 -0.525 19833
529 1 5 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.464 -1.050 19833
530 1 5 . 1 1 10 10 GLY H H 10 8.143 8.143 7.844 0.299 19833
531 1 5 . 1 1 11 11 TYR N N 11 121.166 121.166 122.664 -1.498 19833
532 1 5 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.149 0.186 19833
533 1 5 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.638 -0.506 19833
534 1 5 . 1 1 11 11 TYR H H 11 8.010 8.010 7.558 0.452 19833
535 1 5 . 1 1 12 12 ASP N N 12 119.461 119.461 119.980 -0.519 19833
536 1 5 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.451 0.173 19833
537 1 5 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.354 -0.848 19833
538 1 5 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.688 -2.450 19833
539 1 5 . 1 1 12 12 ASP H H 12 8.416 8.416 8.594 -0.178 19833
540 1 5 . 1 1 13 13 ILE N N 13 120.538 120.538 119.251 1.287 19833
541 1 5 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.943 0.059 19833
542 1 5 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.294 -0.966 19833
543 1 5 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.450 0.162 19833
544 1 5 . 1 1 13 13 ILE H H 13 8.155 8.155 7.178 0.977 19833
545 1 5 . 1 1 14 14 ALA N N 14 123.708 123.708 122.217 1.491 19833
546 1 5 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.909 0.340 19833
547 1 5 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.317 -1.397 19833
548 1 5 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.797 1.188 19833
549 1 5 . 1 1 14 14 ALA H H 14 8.276 8.276 8.200 0.076 19833
550 1 5 . 1 1 15 15 SER N N 15 112.747 112.747 112.409 0.338 19833
551 1 5 . 1 1 15 15 SER HA H 15 4.306 4.306 3.958 0.348 19833
552 1 5 . 1 1 15 15 SER CA C 15 59.618 59.618 60.956 -1.338 19833
553 1 5 . 1 1 15 15 SER CB C 15 63.522 63.522 63.131 0.391 19833
554 1 5 . 1 1 15 15 SER H H 15 8.068 8.068 8.065 0.003 19833
555 1 5 . 1 1 16 16 HIS N N 16 119.224 119.224 119.290 -0.066 19833
556 1 5 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.452 0.255 19833
557 1 5 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.140 -1.452 19833
558 1 5 . 1 1 16 16 HIS H H 16 8.161 8.161 7.695 0.466 19833
559 1 5 . 1 1 17 17 LYS N N 17 120.978 120.978 119.269 1.709 19833
560 1 5 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.065 0.277 19833
561 1 5 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.518 -1.650 19833
562 1 5 . 1 1 17 17 LYS H H 17 8.083 8.083 7.949 0.134 19833
563 1 5 . 1 1 18 18 LYS N N 18 121.764 121.764 117.064 4.700 19833
564 1 5 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.174 0.171 19833
565 1 5 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.874 -0.207 19833
566 1 5 . 1 1 18 18 LYS H H 18 8.235 8.235 7.823 0.412 19833
567 1 5 . 1 1 19 19 LYS N N 19 122.420 122.420 118.526 3.894 19833
568 1 5 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.059 0.356 19833
569 1 5 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.062 -0.315 19833
570 1 5 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.565 2.882 19833
571 1 5 . 1 1 19 19 LYS H H 19 8.397 8.397 7.903 0.494 19833
572 1 5 . 1 1 20 20 THR N N 20 114.054 114.054 115.030 -0.976 19833
573 1 5 . 1 1 20 20 THR HA H 20 4.417 4.417 4.468 -0.051 19833
574 1 5 . 1 1 20 20 THR CA C 20 61.883 61.883 59.807 2.076 19833
575 1 5 . 1 1 20 20 THR CB C 20 69.985 69.985 70.048 -0.063 19833
576 1 5 . 1 1 20 20 THR H H 20 8.093 8.093 7.940 0.153 19833
577 1 5 . 1 1 21 21 GLY N N 21 110.822 110.822 109.473 1.349 19833
578 1 5 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.707 0.633 19833
579 1 5 . 1 1 21 21 GLY H H 21 8.360 8.360 8.505 -0.145 19833
580 1 5 . 1 1 22 22 GLY N N 22 107.828 107.828 109.029 -1.201 19833
581 1 5 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.308 0.550 19833
582 1 5 . 1 1 22 22 GLY H H 22 8.144 8.144 7.701 0.443 19833
583 1 5 . 1 1 23 23 TYR N N 23 119.305 119.305 125.387 -6.082 19833
584 1 5 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.169 0.349 19833
585 1 5 . 1 1 23 23 TYR H H 23 7.871 7.871 8.321 -0.450 19833
586 1 5 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.416 -0.025 19833
587 1 5 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.580 0.068 19833
588 1 5 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.238 -0.534 19833
589 1 5 . 1 1 25 25 TRP N N 25 113.569 113.569 115.508 -1.939 19833
590 1 5 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.824 -0.434 19833
591 1 5 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.937 -0.308 19833
592 1 5 . 1 1 25 25 TRP H H 25 6.927 6.927 7.043 -0.116 19833
593 1 5 . 1 1 26 26 GLU N N 26 120.107 120.107 120.831 -0.724 19833
594 1 5 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.509 -0.040 19833
595 1 5 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.111 -0.234 19833
596 1 5 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.382 0.559 19833
597 1 5 . 1 1 26 26 GLU H H 26 7.657 7.657 7.365 0.292 19833
598 1 5 . 1 1 27 27 ARG N N 27 120.913 120.913 119.619 1.294 19833
599 1 5 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.506 -0.141 19833
600 1 5 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.890 0.653 19833
601 1 5 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.175 0.731 19833
602 1 5 . 1 1 27 27 ARG H H 27 8.164 8.164 8.162 0.002 19833
603 1 5 . 1 1 28 28 GLY N N 28 109.371 109.371 108.862 0.509 19833
604 1 5 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.529 0.942 19833
605 1 5 . 1 1 28 28 GLY H H 28 8.487 8.487 8.156 0.331 19833
606 1 5 . 1 1 29 29 LYS N N 29 120.511 120.511 118.677 1.834 19833
607 1 5 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.172 0.245 19833
608 1 5 . 1 1 29 29 LYS CA C 29 56.055 56.055 57.309 -1.254 19833
609 1 5 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.862 0.266 19833
610 1 5 . 1 1 29 29 LYS H H 29 8.116 8.116 8.408 -0.292 19833
611 1 6 . 1 1 2 2 LYS N N 2 124.507 124.507 121.024 3.483 19833
612 1 6 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.409 -0.011 19833
613 1 6 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.570 0.408 19833
614 1 6 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.980 0.140 19833
615 1 6 . 1 1 2 2 LYS H H 2 9.055 9.055 8.415 0.640 19833
616 1 6 . 1 1 3 3 THR N N 3 116.151 116.151 115.260 0.891 19833
617 1 6 . 1 1 3 3 THR HA H 3 4.228 4.228 4.460 -0.232 19833
618 1 6 . 1 1 3 3 THR CA C 3 64.622 64.622 60.689 3.933 19833
619 1 6 . 1 1 3 3 THR CB C 3 69.037 69.037 68.381 0.656 19833
620 1 6 . 1 1 3 3 THR H H 3 8.487 8.487 8.011 0.476 19833
621 1 6 . 1 1 4 4 ILE N N 4 121.254 121.254 122.933 -1.679 19833
622 1 6 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.064 0.056 19833
623 1 6 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.624 1.181 19833
624 1 6 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.887 0.245 19833
625 1 6 . 1 1 4 4 ILE H H 4 8.561 8.561 8.283 0.278 19833
626 1 6 . 1 1 5 5 LEU N N 5 119.718 119.718 119.683 0.035 19833
627 1 6 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.967 0.231 19833
628 1 6 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.105 -0.683 19833
629 1 6 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.940 0.327 19833
630 1 6 . 1 1 5 5 LEU H H 5 7.944 7.944 8.150 -0.206 19833
631 1 6 . 1 1 6 6 ARG N N 6 118.685 118.685 118.839 -0.154 19833
632 1 6 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.087 0.056 19833
633 1 6 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.219 0.645 19833
634 1 6 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.324 0.537 19833
635 1 6 . 1 1 6 6 ARG H H 6 8.013 8.013 7.767 0.246 19833
636 1 6 . 1 1 7 7 PHE N N 7 118.774 118.774 121.160 -2.386 19833
637 1 6 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.485 0.011 19833
638 1 6 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.707 -0.370 19833
639 1 6 . 1 1 7 7 PHE H H 7 7.950 7.950 7.829 0.121 19833
640 1 6 . 1 1 8 8 VAL N N 8 116.545 116.545 118.938 -2.393 19833
641 1 6 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.295 0.611 19833
642 1 6 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.658 -0.543 19833
643 1 6 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.418 1.655 19833
644 1 6 . 1 1 8 8 VAL H H 8 8.014 8.014 8.746 -0.732 19833
645 1 6 . 1 1 9 9 ALA N N 9 121.564 121.564 122.976 -1.412 19833
646 1 6 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.995 0.246 19833
647 1 6 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.481 -0.843 19833
648 1 6 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.034 0.613 19833
649 1 6 . 1 1 9 9 ALA H H 9 8.087 8.087 7.971 0.116 19833
650 1 6 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833
651 1 6 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.475 -1.061 19833
652 1 6 . 1 1 10 10 GLY H H 10 8.143 8.143 7.834 0.309 19833
653 1 6 . 1 1 11 11 TYR N N 11 121.166 121.166 122.685 -1.519 19833
654 1 6 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.175 0.160 19833
655 1 6 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.606 -0.474 19833
656 1 6 . 1 1 11 11 TYR H H 11 8.010 8.010 7.535 0.475 19833
657 1 6 . 1 1 12 12 ASP N N 12 119.461 119.461 120.353 -0.892 19833
658 1 6 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.443 0.181 19833
659 1 6 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.493 -0.987 19833
660 1 6 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.626 -2.387 19833
661 1 6 . 1 1 12 12 ASP H H 12 8.416 8.416 8.662 -0.246 19833
662 1 6 . 1 1 13 13 ILE N N 13 120.538 120.538 119.538 1.000 19833
663 1 6 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.945 0.057 19833
664 1 6 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.564 -1.236 19833
665 1 6 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.204 0.408 19833
666 1 6 . 1 1 13 13 ILE H H 13 8.155 8.155 7.207 0.948 19833
667 1 6 . 1 1 14 14 ALA N N 14 123.708 123.708 122.323 1.385 19833
668 1 6 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.926 0.323 19833
669 1 6 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.365 -1.445 19833
670 1 6 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.789 1.196 19833
671 1 6 . 1 1 14 14 ALA H H 14 8.276 8.276 8.244 0.032 19833
672 1 6 . 1 1 15 15 SER N N 15 112.747 112.747 112.437 0.310 19833
673 1 6 . 1 1 15 15 SER HA H 15 4.306 4.306 3.959 0.347 19833
674 1 6 . 1 1 15 15 SER CA C 15 59.618 59.618 60.925 -1.307 19833
675 1 6 . 1 1 15 15 SER CB C 15 63.522 63.522 63.155 0.367 19833
676 1 6 . 1 1 15 15 SER H H 15 8.068 8.068 8.149 -0.081 19833
677 1 6 . 1 1 16 16 HIS N N 16 119.224 119.224 118.750 0.474 19833
678 1 6 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.446 0.261 19833
679 1 6 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.194 -1.506 19833
680 1 6 . 1 1 16 16 HIS H H 16 8.161 8.161 7.658 0.503 19833
681 1 6 . 1 1 17 17 LYS N N 17 120.978 120.978 119.375 1.603 19833
682 1 6 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.214 0.128 19833
683 1 6 . 1 1 17 17 LYS CA C 17 56.868 56.868 59.029 -2.160 19833
684 1 6 . 1 1 17 17 LYS H H 17 8.083 8.083 8.142 -0.059 19833
685 1 6 . 1 1 18 18 LYS N N 18 121.764 121.764 117.860 3.904 19833
686 1 6 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.213 0.132 19833
687 1 6 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.057 -0.390 19833
688 1 6 . 1 1 18 18 LYS H H 18 8.235 8.235 7.819 0.416 19833
689 1 6 . 1 1 19 19 LYS N N 19 122.420 122.420 119.652 2.768 19833
690 1 6 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.006 0.409 19833
691 1 6 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.118 -0.371 19833
692 1 6 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.657 2.790 19833
693 1 6 . 1 1 19 19 LYS H H 19 8.397 8.397 7.974 0.423 19833
694 1 6 . 1 1 20 20 THR N N 20 114.054 114.054 117.274 -3.220 19833
695 1 6 . 1 1 20 20 THR HA H 20 4.417 4.417 4.312 0.105 19833
696 1 6 . 1 1 20 20 THR CA C 20 61.883 61.883 61.516 0.367 19833
697 1 6 . 1 1 20 20 THR CB C 20 69.985 69.985 69.548 0.437 19833
698 1 6 . 1 1 20 20 THR H H 20 8.093 8.093 8.257 -0.164 19833
699 1 6 . 1 1 21 21 GLY N N 21 110.822 110.822 113.621 -2.799 19833
700 1 6 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.880 0.459 19833
701 1 6 . 1 1 21 21 GLY H H 21 8.360 8.360 8.406 -0.046 19833
702 1 6 . 1 1 22 22 GLY N N 22 107.828 107.828 107.823 0.005 19833
703 1 6 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.225 0.633 19833
704 1 6 . 1 1 22 22 GLY H H 22 8.144 8.144 7.706 0.438 19833
705 1 6 . 1 1 23 23 TYR N N 23 119.305 119.305 121.901 -2.596 19833
706 1 6 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.190 0.328 19833
707 1 6 . 1 1 23 23 TYR H H 23 7.871 7.871 8.048 -0.177 19833
708 1 6 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.388 0.003 19833
709 1 6 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.596 0.052 19833
710 1 6 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.371 -0.667 19833
711 1 6 . 1 1 25 25 TRP N N 25 113.569 113.569 116.906 -3.337 19833
712 1 6 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.913 -0.523 19833
713 1 6 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.812 -0.183 19833
714 1 6 . 1 1 25 25 TRP H H 25 6.927 6.927 7.184 -0.257 19833
715 1 6 . 1 1 26 26 GLU N N 26 120.107 120.107 121.102 -0.995 19833
716 1 6 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.548 -0.079 19833
717 1 6 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.183 -0.305 19833
718 1 6 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.344 0.597 19833
719 1 6 . 1 1 26 26 GLU H H 26 7.657 7.657 7.449 0.208 19833
720 1 6 . 1 1 27 27 ARG N N 27 120.913 120.913 119.162 1.751 19833
721 1 6 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.622 -0.257 19833
722 1 6 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.646 0.897 19833
723 1 6 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.506 0.400 19833
724 1 6 . 1 1 27 27 ARG H H 27 8.164 8.164 7.372 0.792 19833
725 1 6 . 1 1 28 28 GLY N N 28 109.371 109.371 108.073 1.298 19833
726 1 6 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.628 0.842 19833
727 1 6 . 1 1 28 28 GLY H H 28 8.487 8.487 8.178 0.309 19833
728 1 6 . 1 1 29 29 LYS N N 29 120.511 120.511 119.357 1.154 19833
729 1 6 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.998 0.419 19833
730 1 6 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.428 -0.374 19833
731 1 6 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.746 2.382 19833
732 1 6 . 1 1 29 29 LYS H H 29 8.116 8.116 7.943 0.173 19833
733 1 7 . 1 1 2 2 LYS N N 2 124.507 124.507 122.630 1.877 19833
734 1 7 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.072 0.326 19833
735 1 7 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.722 -0.744 19833
736 1 7 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.316 0.805 19833
737 1 7 . 1 1 2 2 LYS H H 2 9.055 9.055 8.658 0.397 19833
738 1 7 . 1 1 3 3 THR N N 3 116.151 116.151 113.669 2.482 19833
739 1 7 . 1 1 3 3 THR HA H 3 4.228 4.228 4.566 -0.338 19833
740 1 7 . 1 1 3 3 THR CA C 3 64.622 64.622 59.925 4.697 19833
741 1 7 . 1 1 3 3 THR CB C 3 69.037 69.037 69.161 -0.124 19833
742 1 7 . 1 1 3 3 THR H H 3 8.487 8.487 7.730 0.757 19833
743 1 7 . 1 1 4 4 ILE N N 4 121.254 121.254 123.413 -2.159 19833
744 1 7 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.027 0.093 19833
745 1 7 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.852 0.953 19833
746 1 7 . 1 1 4 4 ILE CB C 4 38.132 38.132 38.048 0.084 19833
747 1 7 . 1 1 4 4 ILE H H 4 8.561 8.561 8.088 0.473 19833
748 1 7 . 1 1 5 5 LEU N N 5 119.718 119.718 119.316 0.402 19833
749 1 7 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.984 0.214 19833
750 1 7 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.003 -0.582 19833
751 1 7 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.998 0.269 19833
752 1 7 . 1 1 5 5 LEU H H 5 7.944 7.944 8.091 -0.147 19833
753 1 7 . 1 1 6 6 ARG N N 6 118.685 118.685 118.818 -0.133 19833
754 1 7 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.086 0.057 19833
755 1 7 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.250 0.615 19833
756 1 7 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.342 0.519 19833
757 1 7 . 1 1 6 6 ARG H H 6 8.013 8.013 7.776 0.237 19833
758 1 7 . 1 1 7 7 PHE N N 7 118.774 118.774 121.140 -2.366 19833
759 1 7 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.436 0.060 19833
760 1 7 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833
761 1 7 . 1 1 7 7 PHE H H 7 7.950 7.950 7.804 0.146 19833
762 1 7 . 1 1 8 8 VAL N N 8 116.545 116.545 118.991 -2.446 19833
763 1 7 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.210 0.696 19833
764 1 7 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.167 -1.052 19833
765 1 7 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.291 0.782 19833
766 1 7 . 1 1 8 8 VAL H H 8 8.014 8.014 8.789 -0.775 19833
767 1 7 . 1 1 9 9 ALA N N 9 121.564 121.564 122.392 -0.828 19833
768 1 7 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.006 0.235 19833
769 1 7 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.699 -1.061 19833
770 1 7 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.947 0.700 19833
771 1 7 . 1 1 9 9 ALA H H 9 8.087 8.087 7.911 0.176 19833
772 1 7 . 1 1 10 10 GLY N N 10 104.760 104.760 105.295 -0.535 19833
773 1 7 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.469 -1.055 19833
774 1 7 . 1 1 10 10 GLY H H 10 8.143 8.143 7.858 0.285 19833
775 1 7 . 1 1 11 11 TYR N N 11 121.166 121.166 122.580 -1.414 19833
776 1 7 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.143 0.192 19833
777 1 7 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.694 -0.562 19833
778 1 7 . 1 1 11 11 TYR H H 11 8.010 8.010 7.570 0.440 19833
779 1 7 . 1 1 12 12 ASP N N 12 119.461 119.461 120.049 -0.588 19833
780 1 7 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.448 0.176 19833
781 1 7 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.643 -1.137 19833
782 1 7 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.796 -2.557 19833
783 1 7 . 1 1 12 12 ASP H H 12 8.416 8.416 8.552 -0.136 19833
784 1 7 . 1 1 13 13 ILE N N 13 120.538 120.538 119.377 1.161 19833
785 1 7 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.983 0.019 19833
786 1 7 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.335 -1.006 19833
787 1 7 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.482 0.130 19833
788 1 7 . 1 1 13 13 ILE H H 13 8.155 8.155 7.198 0.957 19833
789 1 7 . 1 1 14 14 ALA N N 14 123.708 123.708 122.175 1.533 19833
790 1 7 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.900 0.349 19833
791 1 7 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.322 -1.402 19833
792 1 7 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.789 1.196 19833
793 1 7 . 1 1 14 14 ALA H H 14 8.276 8.276 8.266 0.010 19833
794 1 7 . 1 1 15 15 SER N N 15 112.747 112.747 112.443 0.304 19833
795 1 7 . 1 1 15 15 SER HA H 15 4.306 4.306 3.979 0.327 19833
796 1 7 . 1 1 15 15 SER CA C 15 59.618 59.618 60.761 -1.143 19833
797 1 7 . 1 1 15 15 SER CB C 15 63.522 63.522 62.987 0.535 19833
798 1 7 . 1 1 15 15 SER H H 15 8.068 8.068 8.037 0.031 19833
799 1 7 . 1 1 16 16 HIS N N 16 119.224 119.224 120.169 -0.945 19833
800 1 7 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.451 0.256 19833
801 1 7 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.122 -1.434 19833
802 1 7 . 1 1 16 16 HIS H H 16 8.161 8.161 7.664 0.497 19833
803 1 7 . 1 1 17 17 LYS N N 17 120.978 120.978 118.509 2.469 19833
804 1 7 . 1 1 17 17 LYS HA H 17 4.342 4.342 3.994 0.348 19833
805 1 7 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.588 -1.720 19833
806 1 7 . 1 1 17 17 LYS H H 17 8.083 8.083 7.945 0.138 19833
807 1 7 . 1 1 18 18 LYS N N 18 121.764 121.764 117.642 4.122 19833
808 1 7 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.216 0.129 19833
809 1 7 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.177 -0.510 19833
810 1 7 . 1 1 18 18 LYS H H 18 8.235 8.235 7.864 0.371 19833
811 1 7 . 1 1 19 19 LYS N N 19 122.420 122.420 119.302 3.118 19833
812 1 7 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.037 0.378 19833
813 1 7 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.971 -0.224 19833
814 1 7 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.933 2.514 19833
815 1 7 . 1 1 19 19 LYS H H 19 8.397 8.397 7.968 0.429 19833
816 1 7 . 1 1 20 20 THR N N 20 114.054 114.054 117.841 -3.787 19833
817 1 7 . 1 1 20 20 THR HA H 20 4.417 4.417 4.220 0.197 19833
818 1 7 . 1 1 20 20 THR CA C 20 61.883 61.883 61.636 0.247 19833
819 1 7 . 1 1 20 20 THR CB C 20 69.985 69.985 69.965 0.020 19833
820 1 7 . 1 1 20 20 THR H H 20 8.093 8.093 8.264 -0.171 19833
821 1 7 . 1 1 21 21 GLY N N 21 110.822 110.822 112.174 -1.352 19833
822 1 7 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.775 0.565 19833
823 1 7 . 1 1 21 21 GLY H H 21 8.360 8.360 8.268 0.092 19833
824 1 7 . 1 1 22 22 GLY N N 22 107.828 107.828 110.707 -2.879 19833
825 1 7 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.650 0.208 19833
826 1 7 . 1 1 22 22 GLY H H 22 8.144 8.144 8.126 0.018 19833
827 1 7 . 1 1 23 23 TYR N N 23 119.305 119.305 124.375 -5.070 19833
828 1 7 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.178 0.340 19833
829 1 7 . 1 1 23 23 TYR H H 23 7.871 7.871 8.174 -0.303 19833
830 1 7 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.410 -0.019 19833
831 1 7 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.597 0.051 19833
832 1 7 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.286 -0.582 19833
833 1 7 . 1 1 25 25 TRP N N 25 113.569 113.569 116.988 -3.419 19833
834 1 7 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.910 -0.520 19833
835 1 7 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.096 -0.467 19833
836 1 7 . 1 1 25 25 TRP H H 25 6.927 6.927 7.302 -0.375 19833
837 1 7 . 1 1 26 26 GLU N N 26 120.107 120.107 122.326 -2.219 19833
838 1 7 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.569 -0.100 19833
839 1 7 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.114 -0.236 19833
840 1 7 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.708 1.233 19833
841 1 7 . 1 1 26 26 GLU H H 26 7.657 7.657 7.558 0.099 19833
842 1 7 . 1 1 27 27 ARG N N 27 120.913 120.913 120.593 0.320 19833
843 1 7 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.497 -0.132 19833
844 1 7 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.383 1.160 19833
845 1 7 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.240 0.666 19833
846 1 7 . 1 1 27 27 ARG H H 27 8.164 8.164 7.504 0.660 19833
847 1 7 . 1 1 28 28 GLY N N 28 109.371 109.371 108.848 0.523 19833
848 1 7 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.128 0.342 19833
849 1 7 . 1 1 28 28 GLY H H 28 8.487 8.487 8.551 -0.064 19833
850 1 7 . 1 1 29 29 LYS N N 29 120.511 120.511 119.182 1.329 19833
851 1 7 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.955 0.462 19833
852 1 7 . 1 1 29 29 LYS CA C 29 56.055 56.055 57.068 -1.013 19833
853 1 7 . 1 1 29 29 LYS CB C 29 33.128 33.128 31.444 1.684 19833
854 1 7 . 1 1 29 29 LYS H H 29 8.116 8.116 8.303 -0.187 19833
855 1 8 . 1 1 2 2 LYS N N 2 124.507 124.507 121.095 3.412 19833
856 1 8 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.374 0.024 19833
857 1 8 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.012 -0.034 19833
858 1 8 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.826 0.294 19833
859 1 8 . 1 1 2 2 LYS H H 2 9.055 9.055 8.510 0.545 19833
860 1 8 . 1 1 3 3 THR N N 3 116.151 116.151 113.839 2.312 19833
861 1 8 . 1 1 3 3 THR HA H 3 4.228 4.228 4.533 -0.305 19833
862 1 8 . 1 1 3 3 THR CA C 3 64.622 64.622 60.494 4.128 19833
863 1 8 . 1 1 3 3 THR CB C 3 69.037 69.037 69.031 0.007 19833
864 1 8 . 1 1 3 3 THR H H 3 8.487 8.487 8.173 0.314 19833
865 1 8 . 1 1 4 4 ILE N N 4 121.254 121.254 122.813 -1.559 19833
866 1 8 . 1 1 4 4 ILE HA H 4 4.120 4.120 3.993 0.127 19833
867 1 8 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.791 1.014 19833
868 1 8 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.991 0.141 19833
869 1 8 . 1 1 4 4 ILE H H 4 8.561 8.561 7.968 0.593 19833
870 1 8 . 1 1 5 5 LEU N N 5 119.718 119.718 119.415 0.303 19833
871 1 8 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.978 0.220 19833
872 1 8 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.002 -0.581 19833
873 1 8 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.995 0.272 19833
874 1 8 . 1 1 5 5 LEU H H 5 7.944 7.944 8.120 -0.176 19833
875 1 8 . 1 1 6 6 ARG N N 6 118.685 118.685 118.786 -0.101 19833
876 1 8 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833
877 1 8 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.223 0.642 19833
878 1 8 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.309 0.551 19833
879 1 8 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833
880 1 8 . 1 1 7 7 PHE N N 7 118.774 118.774 121.179 -2.405 19833
881 1 8 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833
882 1 8 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.372 19833
883 1 8 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833
884 1 8 . 1 1 8 8 VAL N N 8 116.545 116.545 118.926 -2.381 19833
885 1 8 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.290 0.616 19833
886 1 8 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.649 -0.534 19833
887 1 8 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.413 1.660 19833
888 1 8 . 1 1 8 8 VAL H H 8 8.014 8.014 8.742 -0.728 19833
889 1 8 . 1 1 9 9 ALA N N 9 121.564 121.564 122.484 -0.920 19833
890 1 8 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.021 0.220 19833
891 1 8 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.648 -1.010 19833
892 1 8 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.082 0.565 19833
893 1 8 . 1 1 9 9 ALA H H 9 8.087 8.087 7.936 0.151 19833
894 1 8 . 1 1 10 10 GLY N N 10 104.760 104.760 105.325 -0.565 19833
895 1 8 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833
896 1 8 . 1 1 10 10 GLY H H 10 8.143 8.143 7.834 0.309 19833
897 1 8 . 1 1 11 11 TYR N N 11 121.166 121.166 122.590 -1.424 19833
898 1 8 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.176 0.159 19833
899 1 8 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.459 -0.327 19833
900 1 8 . 1 1 11 11 TYR H H 11 8.010 8.010 7.510 0.500 19833
901 1 8 . 1 1 12 12 ASP N N 12 119.461 119.461 119.884 -0.423 19833
902 1 8 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.447 0.177 19833
903 1 8 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.270 -0.764 19833
904 1 8 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.933 -2.694 19833
905 1 8 . 1 1 12 12 ASP H H 12 8.416 8.416 8.589 -0.173 19833
906 1 8 . 1 1 13 13 ILE N N 13 120.538 120.538 119.497 1.041 19833
907 1 8 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.988 0.014 19833
908 1 8 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.266 -0.938 19833
909 1 8 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.436 0.176 19833
910 1 8 . 1 1 13 13 ILE H H 13 8.155 8.155 7.204 0.951 19833
911 1 8 . 1 1 14 14 ALA N N 14 123.708 123.708 122.418 1.290 19833
912 1 8 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.970 0.279 19833
913 1 8 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.432 -1.512 19833
914 1 8 . 1 1 14 14 ALA CB C 14 18.985 18.985 18.088 0.897 19833
915 1 8 . 1 1 14 14 ALA H H 14 8.276 8.276 8.388 -0.112 19833
916 1 8 . 1 1 15 15 SER N N 15 112.747 112.747 113.335 -0.588 19833
917 1 8 . 1 1 15 15 SER HA H 15 4.306 4.306 4.025 0.281 19833
918 1 8 . 1 1 15 15 SER CA C 15 59.618 59.618 61.680 -2.062 19833
919 1 8 . 1 1 15 15 SER CB C 15 63.522 63.522 62.650 0.872 19833
920 1 8 . 1 1 15 15 SER H H 15 8.068 8.068 8.164 -0.096 19833
921 1 8 . 1 1 16 16 HIS N N 16 119.224 119.224 121.619 -2.395 19833
922 1 8 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.369 0.338 19833
923 1 8 . 1 1 16 16 HIS CB C 16 28.688 28.688 29.956 -1.268 19833
924 1 8 . 1 1 16 16 HIS H H 16 8.161 8.161 7.557 0.604 19833
925 1 8 . 1 1 17 17 LYS N N 17 120.978 120.978 118.271 2.707 19833
926 1 8 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.208 0.134 19833
927 1 8 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.191 -1.323 19833
928 1 8 . 1 1 17 17 LYS H H 17 8.083 8.083 7.895 0.188 19833
929 1 8 . 1 1 18 18 LYS N N 18 121.764 121.764 118.333 3.431 19833
930 1 8 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.175 0.170 19833
931 1 8 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.281 -0.614 19833
932 1 8 . 1 1 18 18 LYS H H 18 8.235 8.235 7.846 0.389 19833
933 1 8 . 1 1 19 19 LYS N N 19 122.420 122.420 119.967 2.453 19833
934 1 8 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.066 0.349 19833
935 1 8 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.148 -0.401 19833
936 1 8 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.311 2.136 19833
937 1 8 . 1 1 19 19 LYS H H 19 8.397 8.397 7.961 0.436 19833
938 1 8 . 1 1 20 20 THR N N 20 114.054 114.054 117.811 -3.757 19833
939 1 8 . 1 1 20 20 THR HA H 20 4.417 4.417 4.408 0.009 19833
940 1 8 . 1 1 20 20 THR CA C 20 61.883 61.883 62.213 -0.330 19833
941 1 8 . 1 1 20 20 THR CB C 20 69.985 69.985 69.875 0.110 19833
942 1 8 . 1 1 20 20 THR H H 20 8.093 8.093 8.137 -0.044 19833
943 1 8 . 1 1 21 21 GLY N N 21 110.822 110.822 114.997 -4.175 19833
944 1 8 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.165 0.175 19833
945 1 8 . 1 1 21 21 GLY H H 21 8.360 8.360 8.645 -0.285 19833
946 1 8 . 1 1 22 22 GLY N N 22 107.828 107.828 109.772 -1.944 19833
947 1 8 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.430 0.428 19833
948 1 8 . 1 1 22 22 GLY H H 22 8.144 8.144 8.401 -0.257 19833
949 1 8 . 1 1 23 23 TYR N N 23 119.305 119.305 120.609 -1.304 19833
950 1 8 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.219 0.299 19833
951 1 8 . 1 1 23 23 TYR H H 23 7.871 7.871 8.033 -0.162 19833
952 1 8 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.412 -0.021 19833
953 1 8 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.421 0.227 19833
954 1 8 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.402 -0.698 19833
955 1 8 . 1 1 25 25 TRP N N 25 113.569 113.569 115.587 -2.018 19833
956 1 8 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.942 -0.552 19833
957 1 8 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.432 -0.803 19833
958 1 8 . 1 1 25 25 TRP H H 25 6.927 6.927 7.288 -0.361 19833
959 1 8 . 1 1 26 26 GLU N N 26 120.107 120.107 122.545 -2.438 19833
960 1 8 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.535 -0.066 19833
961 1 8 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.676 0.202 19833
962 1 8 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.802 1.139 19833
963 1 8 . 1 1 26 26 GLU H H 26 7.657 7.657 7.675 -0.018 19833
964 1 8 . 1 1 27 27 ARG N N 27 120.913 120.913 120.371 0.542 19833
965 1 8 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.358 0.007 19833
966 1 8 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.207 0.336 19833
967 1 8 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.544 1.362 19833
968 1 8 . 1 1 27 27 ARG H H 27 8.164 8.164 7.390 0.774 19833
969 1 8 . 1 1 28 28 GLY N N 28 109.371 109.371 107.355 2.016 19833
970 1 8 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.289 0.180 19833
971 1 8 . 1 1 28 28 GLY H H 28 8.487 8.487 8.518 -0.031 19833
972 1 8 . 1 1 29 29 LYS N N 29 120.511 120.511 119.373 1.138 19833
973 1 8 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.463 -0.046 19833
974 1 8 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.190 -0.135 19833
975 1 8 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.385 -0.257 19833
976 1 8 . 1 1 29 29 LYS H H 29 8.116 8.116 8.346 -0.230 19833
977 1 9 . 1 1 2 2 LYS N N 2 124.507 124.507 123.255 1.252 19833
978 1 9 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.362 0.036 19833
979 1 9 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.686 0.292 19833
980 1 9 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.858 0.262 19833
981 1 9 . 1 1 2 2 LYS H H 2 9.055 9.055 8.462 0.593 19833
982 1 9 . 1 1 3 3 THR N N 3 116.151 116.151 115.446 0.705 19833
983 1 9 . 1 1 3 3 THR HA H 3 4.228 4.228 4.472 -0.244 19833
984 1 9 . 1 1 3 3 THR CA C 3 64.622 64.622 60.649 3.973 19833
985 1 9 . 1 1 3 3 THR CB C 3 69.037 69.037 68.174 0.863 19833
986 1 9 . 1 1 3 3 THR H H 3 8.487 8.487 8.054 0.433 19833
987 1 9 . 1 1 4 4 ILE N N 4 121.254 121.254 123.249 -1.995 19833
988 1 9 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.046 0.074 19833
989 1 9 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.640 1.165 19833
990 1 9 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.825 0.307 19833
991 1 9 . 1 1 4 4 ILE H H 4 8.561 8.561 8.069 0.492 19833
992 1 9 . 1 1 5 5 LEU N N 5 119.718 119.718 119.616 0.102 19833
993 1 9 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.966 0.232 19833
994 1 9 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.072 -0.651 19833
995 1 9 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.955 0.312 19833
996 1 9 . 1 1 5 5 LEU H H 5 7.944 7.944 8.141 -0.197 19833
997 1 9 . 1 1 6 6 ARG N N 6 118.685 118.685 118.805 -0.120 19833
998 1 9 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833
999 1 9 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.213 0.652 19833
1000 1 9 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.307 0.554 19833
1001 1 9 . 1 1 6 6 ARG H H 6 8.013 8.013 7.764 0.249 19833
1002 1 9 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833
1003 1 9 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.439 0.057 19833
1004 1 9 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.712 -0.375 19833
1005 1 9 . 1 1 7 7 PHE H H 7 7.950 7.950 7.803 0.147 19833
1006 1 9 . 1 1 8 8 VAL N N 8 116.545 116.545 118.993 -2.448 19833
1007 1 9 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.209 0.697 19833
1008 1 9 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.159 -1.044 19833
1009 1 9 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.286 0.787 19833
1010 1 9 . 1 1 8 8 VAL H H 8 8.014 8.014 8.788 -0.774 19833
1011 1 9 . 1 1 9 9 ALA N N 9 121.564 121.564 122.410 -0.846 19833
1012 1 9 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.996 0.245 19833
1013 1 9 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.692 -1.054 19833
1014 1 9 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.944 0.703 19833
1015 1 9 . 1 1 9 9 ALA H H 9 8.087 8.087 7.903 0.184 19833
1016 1 9 . 1 1 10 10 GLY N N 10 104.760 104.760 105.285 -0.525 19833
1017 1 9 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833
1018 1 9 . 1 1 10 10 GLY H H 10 8.143 8.143 7.864 0.279 19833
1019 1 9 . 1 1 11 11 TYR N N 11 121.166 121.166 122.638 -1.472 19833
1020 1 9 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.134 0.201 19833
1021 1 9 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.647 -0.515 19833
1022 1 9 . 1 1 11 11 TYR H H 11 8.010 8.010 7.567 0.443 19833
1023 1 9 . 1 1 12 12 ASP N N 12 119.461 119.461 119.324 0.137 19833
1024 1 9 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.475 0.149 19833
1025 1 9 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.243 -0.737 19833
1026 1 9 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.891 -2.652 19833
1027 1 9 . 1 1 12 12 ASP H H 12 8.416 8.416 8.472 -0.056 19833
1028 1 9 . 1 1 13 13 ILE N N 13 120.538 120.538 118.216 2.322 19833
1029 1 9 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.965 0.037 19833
1030 1 9 . 1 1 13 13 ILE CA C 13 63.328 63.328 63.967 -0.639 19833
1031 1 9 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.499 0.113 19833
1032 1 9 . 1 1 13 13 ILE H H 13 8.155 8.155 7.126 1.029 19833
1033 1 9 . 1 1 14 14 ALA N N 14 123.708 123.708 122.236 1.472 19833
1034 1 9 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.951 0.298 19833
1035 1 9 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.400 -1.480 19833
1036 1 9 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.959 1.026 19833
1037 1 9 . 1 1 14 14 ALA H H 14 8.276 8.276 8.277 -0.001 19833
1038 1 9 . 1 1 15 15 SER N N 15 112.747 112.747 112.321 0.426 19833
1039 1 9 . 1 1 15 15 SER HA H 15 4.306 4.306 3.946 0.360 19833
1040 1 9 . 1 1 15 15 SER CA C 15 59.618 59.618 60.882 -1.264 19833
1041 1 9 . 1 1 15 15 SER CB C 15 63.522 63.522 63.201 0.321 19833
1042 1 9 . 1 1 15 15 SER H H 15 8.068 8.068 8.124 -0.056 19833
1043 1 9 . 1 1 16 16 HIS N N 16 119.224 119.224 120.831 -1.607 19833
1044 1 9 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.493 0.214 19833
1045 1 9 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.030 -1.342 19833
1046 1 9 . 1 1 16 16 HIS H H 16 8.161 8.161 7.730 0.431 19833
1047 1 9 . 1 1 17 17 LYS N N 17 120.978 120.978 118.581 2.397 19833
1048 1 9 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.151 0.191 19833
1049 1 9 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.097 -1.229 19833
1050 1 9 . 1 1 17 17 LYS H H 17 8.083 8.083 8.017 0.066 19833
1051 1 9 . 1 1 18 18 LYS N N 18 121.764 121.764 117.057 4.707 19833
1052 1 9 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.207 0.138 19833
1053 1 9 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.770 -0.103 19833
1054 1 9 . 1 1 18 18 LYS H H 18 8.235 8.235 7.854 0.381 19833
1055 1 9 . 1 1 19 19 LYS N N 19 122.420 122.420 119.462 2.958 19833
1056 1 9 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.081 0.334 19833
1057 1 9 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.166 -0.419 19833
1058 1 9 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.992 2.455 19833
1059 1 9 . 1 1 19 19 LYS H H 19 8.397 8.397 7.874 0.523 19833
1060 1 9 . 1 1 20 20 THR N N 20 114.054 114.054 116.107 -2.053 19833
1061 1 9 . 1 1 20 20 THR HA H 20 4.417 4.417 4.377 0.040 19833
1062 1 9 . 1 1 20 20 THR CA C 20 61.883 61.883 61.386 0.497 19833
1063 1 9 . 1 1 20 20 THR CB C 20 69.985 69.985 69.688 0.297 19833
1064 1 9 . 1 1 20 20 THR H H 20 8.093 8.093 7.958 0.135 19833
1065 1 9 . 1 1 21 21 GLY N N 21 110.822 110.822 112.116 -1.294 19833
1066 1 9 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.537 -0.197 19833
1067 1 9 . 1 1 21 21 GLY H H 21 8.360 8.360 8.325 0.035 19833
1068 1 9 . 1 1 22 22 GLY N N 22 107.828 107.828 113.532 -5.704 19833
1069 1 9 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.568 0.290 19833
1070 1 9 . 1 1 22 22 GLY H H 22 8.144 8.144 7.925 0.219 19833
1071 1 9 . 1 1 23 23 TYR N N 23 119.305 119.305 124.436 -5.131 19833
1072 1 9 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.314 0.204 19833
1073 1 9 . 1 1 23 23 TYR H H 23 7.871 7.871 8.184 -0.313 19833
1074 1 9 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.395 -0.004 19833
1075 1 9 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.676 -0.028 19833
1076 1 9 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.194 -0.490 19833
1077 1 9 . 1 1 25 25 TRP N N 25 113.569 113.569 117.244 -3.675 19833
1078 1 9 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.927 -0.537 19833
1079 1 9 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.070 -0.441 19833
1080 1 9 . 1 1 25 25 TRP H H 25 6.927 6.927 7.331 -0.404 19833
1081 1 9 . 1 1 26 26 GLU N N 26 120.107 120.107 122.194 -2.087 19833
1082 1 9 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.572 -0.103 19833
1083 1 9 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.106 -0.228 19833
1084 1 9 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.005 0.937 19833
1085 1 9 . 1 1 26 26 GLU H H 26 7.657 7.657 7.464 0.193 19833
1086 1 9 . 1 1 27 27 ARG N N 27 120.913 120.913 119.503 1.410 19833
1087 1 9 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.457 -0.092 19833
1088 1 9 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.812 0.731 19833
1089 1 9 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.176 0.730 19833
1090 1 9 . 1 1 27 27 ARG H H 27 8.164 8.164 7.434 0.730 19833
1091 1 9 . 1 1 28 28 GLY N N 28 109.371 109.371 107.355 2.016 19833
1092 1 9 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.063 0.407 19833
1093 1 9 . 1 1 28 28 GLY H H 28 8.487 8.487 8.120 0.367 19833
1094 1 9 . 1 1 29 29 LYS N N 29 120.511 120.511 120.537 -0.026 19833
1095 1 9 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.585 -0.168 19833
1096 1 9 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.053 0.002 19833
1097 1 9 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.614 0.514 19833
1098 1 9 . 1 1 29 29 LYS H H 29 8.116 8.116 8.377 -0.261 19833
1099 1 10 . 1 1 2 2 LYS N N 2 124.507 124.507 122.296 2.211 19833
1100 1 10 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.178 0.220 19833
1101 1 10 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.582 -0.604 19833
1102 1 10 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.356 0.764 19833
1103 1 10 . 1 1 2 2 LYS H H 2 9.055 9.055 8.500 0.555 19833
1104 1 10 . 1 1 3 3 THR N N 3 116.151 116.151 114.373 1.778 19833
1105 1 10 . 1 1 3 3 THR HA H 3 4.228 4.228 4.465 -0.237 19833
1106 1 10 . 1 1 3 3 THR CA C 3 64.622 64.622 60.211 4.412 19833
1107 1 10 . 1 1 3 3 THR CB C 3 69.037 69.037 67.794 1.243 19833
1108 1 10 . 1 1 3 3 THR H H 3 8.487 8.487 7.967 0.520 19833
1109 1 10 . 1 1 4 4 ILE N N 4 121.254 121.254 123.378 -2.124 19833
1110 1 10 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.041 0.079 19833
1111 1 10 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.706 1.099 19833
1112 1 10 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.756 0.376 19833
1113 1 10 . 1 1 4 4 ILE H H 4 8.561 8.561 7.532 1.029 19833
1114 1 10 . 1 1 5 5 LEU N N 5 119.718 119.718 119.611 0.107 19833
1115 1 10 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.959 0.239 19833
1116 1 10 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.092 -0.671 19833
1117 1 10 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.935 0.332 19833
1118 1 10 . 1 1 5 5 LEU H H 5 7.944 7.944 8.139 -0.195 19833
1119 1 10 . 1 1 6 6 ARG N N 6 118.685 118.685 118.806 -0.121 19833
1120 1 10 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.078 0.065 19833
1121 1 10 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.227 0.638 19833
1122 1 10 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.321 0.540 19833
1123 1 10 . 1 1 6 6 ARG H H 6 8.013 8.013 7.767 0.246 19833
1124 1 10 . 1 1 7 7 PHE N N 7 118.774 118.774 121.164 -2.390 19833
1125 1 10 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.480 0.016 19833
1126 1 10 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.708 -0.371 19833
1127 1 10 . 1 1 7 7 PHE H H 7 7.950 7.950 7.824 0.126 19833
1128 1 10 . 1 1 8 8 VAL N N 8 116.545 116.545 118.929 -2.384 19833
1129 1 10 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.287 0.619 19833
1130 1 10 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.651 -0.536 19833
1131 1 10 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.407 1.666 19833
1132 1 10 . 1 1 8 8 VAL H H 8 8.014 8.014 8.740 -0.726 19833
1133 1 10 . 1 1 9 9 ALA N N 9 121.564 121.564 122.457 -0.893 19833
1134 1 10 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.000 0.241 19833
1135 1 10 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.624 -0.986 19833
1136 1 10 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.070 0.577 19833
1137 1 10 . 1 1 9 9 ALA H H 9 8.087 8.087 7.924 0.163 19833
1138 1 10 . 1 1 10 10 GLY N N 10 104.760 104.760 105.325 -0.565 19833
1139 1 10 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.464 -1.050 19833
1140 1 10 . 1 1 10 10 GLY H H 10 8.143 8.143 7.822 0.321 19833
1141 1 10 . 1 1 11 11 TYR N N 11 121.166 121.166 122.611 -1.445 19833
1142 1 10 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.138 0.197 19833
1143 1 10 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.642 -0.510 19833
1144 1 10 . 1 1 11 11 TYR H H 11 8.010 8.010 7.555 0.455 19833
1145 1 10 . 1 1 12 12 ASP N N 12 119.461 119.461 119.544 -0.083 19833
1146 1 10 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.437 0.187 19833
1147 1 10 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.111 -0.605 19833
1148 1 10 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.827 -2.588 19833
1149 1 10 . 1 1 12 12 ASP H H 12 8.416 8.416 8.533 -0.117 19833
1150 1 10 . 1 1 13 13 ILE N N 13 120.538 120.538 119.227 1.311 19833
1151 1 10 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.840 0.162 19833
1152 1 10 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.422 -1.094 19833
1153 1 10 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.389 0.223 19833
1154 1 10 . 1 1 13 13 ILE H H 13 8.155 8.155 7.166 0.989 19833
1155 1 10 . 1 1 14 14 ALA N N 14 123.708 123.708 122.217 1.491 19833
1156 1 10 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.950 0.299 19833
1157 1 10 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.389 -1.469 19833
1158 1 10 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.965 1.020 19833
1159 1 10 . 1 1 14 14 ALA H H 14 8.276 8.276 8.319 -0.043 19833
1160 1 10 . 1 1 15 15 SER N N 15 112.747 112.747 112.515 0.232 19833
1161 1 10 . 1 1 15 15 SER HA H 15 4.306 4.306 4.000 0.306 19833
1162 1 10 . 1 1 15 15 SER CA C 15 59.618 59.618 61.282 -1.664 19833
1163 1 10 . 1 1 15 15 SER CB C 15 63.522 63.522 63.254 0.268 19833
1164 1 10 . 1 1 15 15 SER H H 15 8.068 8.068 8.109 -0.041 19833
1165 1 10 . 1 1 16 16 HIS N N 16 119.224 119.224 120.781 -1.557 19833
1166 1 10 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.491 0.216 19833
1167 1 10 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.163 -1.475 19833
1168 1 10 . 1 1 16 16 HIS H H 16 8.161 8.161 7.653 0.508 19833
1169 1 10 . 1 1 17 17 LYS N N 17 120.978 120.978 118.306 2.672 19833
1170 1 10 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.189 0.153 19833
1171 1 10 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.175 -1.307 19833
1172 1 10 . 1 1 17 17 LYS H H 17 8.083 8.083 8.027 0.056 19833
1173 1 10 . 1 1 18 18 LYS N N 18 121.764 121.764 117.944 3.820 19833
1174 1 10 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.231 0.114 19833
1175 1 10 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.755 -0.088 19833
1176 1 10 . 1 1 18 18 LYS H H 18 8.235 8.235 7.784 0.451 19833
1177 1 10 . 1 1 19 19 LYS N N 19 122.420 122.420 120.200 2.220 19833
1178 1 10 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.033 0.382 19833
1179 1 10 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.229 -0.482 19833
1180 1 10 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.230 2.217 19833
1181 1 10 . 1 1 19 19 LYS H H 19 8.397 8.397 7.996 0.401 19833
1182 1 10 . 1 1 20 20 THR N N 20 114.054 114.054 116.063 -2.009 19833
1183 1 10 . 1 1 20 20 THR HA H 20 4.417 4.417 4.379 0.038 19833
1184 1 10 . 1 1 20 20 THR CA C 20 61.883 61.883 61.267 0.616 19833
1185 1 10 . 1 1 20 20 THR CB C 20 69.985 69.985 69.955 0.030 19833
1186 1 10 . 1 1 20 20 THR H H 20 8.093 8.093 7.840 0.253 19833
1187 1 10 . 1 1 21 21 GLY N N 21 110.822 110.822 111.739 -0.917 19833
1188 1 10 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.794 0.546 19833
1189 1 10 . 1 1 21 21 GLY H H 21 8.360 8.360 8.322 0.038 19833
1190 1 10 . 1 1 22 22 GLY N N 22 107.828 107.828 107.620 0.208 19833
1191 1 10 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.335 0.523 19833
1192 1 10 . 1 1 22 22 GLY H H 22 8.144 8.144 7.778 0.366 19833
1193 1 10 . 1 1 23 23 TYR N N 23 119.305 119.305 122.507 -3.202 19833
1194 1 10 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.187 0.331 19833
1195 1 10 . 1 1 23 23 TYR H H 23 7.871 7.871 8.056 -0.185 19833
1196 1 10 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.400 -0.009 19833
1197 1 10 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.545 0.103 19833
1198 1 10 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.385 -0.681 19833
1199 1 10 . 1 1 25 25 TRP N N 25 113.569 113.569 116.957 -3.388 19833
1200 1 10 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.914 -0.524 19833
1201 1 10 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.108 -0.479 19833
1202 1 10 . 1 1 25 25 TRP H H 25 6.927 6.927 7.305 -0.378 19833
1203 1 10 . 1 1 26 26 GLU N N 26 120.107 120.107 122.240 -2.133 19833
1204 1 10 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.564 -0.095 19833
1205 1 10 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.188 -0.310 19833
1206 1 10 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.716 1.224 19833
1207 1 10 . 1 1 26 26 GLU H H 26 7.657 7.657 7.542 0.115 19833
1208 1 10 . 1 1 27 27 ARG N N 27 120.913 120.913 119.785 1.128 19833
1209 1 10 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.527 -0.162 19833
1210 1 10 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.987 0.556 19833
1211 1 10 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.511 0.395 19833
1212 1 10 . 1 1 27 27 ARG H H 27 8.164 8.164 7.465 0.699 19833
1213 1 10 . 1 1 28 28 GLY N N 28 109.371 109.371 107.533 1.838 19833
1214 1 10 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.244 0.226 19833
1215 1 10 . 1 1 28 28 GLY H H 28 8.487 8.487 8.129 0.358 19833
1216 1 10 . 1 1 29 29 LYS N N 29 120.511 120.511 121.078 -0.567 19833
1217 1 10 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.665 -0.248 19833
1218 1 10 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.320 -0.265 19833
1219 1 10 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.994 -0.866 19833
1220 1 10 . 1 1 29 29 LYS H H 29 8.116 8.116 8.368 -0.252 19833
1221 1 11 . 1 1 2 2 LYS N N 2 124.507 124.507 121.641 2.866 19833
1222 1 11 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.515 -0.117 19833
1223 1 11 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.355 0.623 19833
1224 1 11 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.938 0.182 19833
1225 1 11 . 1 1 2 2 LYS H H 2 9.055 9.055 8.178 0.877 19833
1226 1 11 . 1 1 3 3 THR N N 3 116.151 116.151 116.005 0.146 19833
1227 1 11 . 1 1 3 3 THR HA H 3 4.228 4.228 4.518 -0.290 19833
1228 1 11 . 1 1 3 3 THR CA C 3 64.622 64.622 61.178 3.443 19833
1229 1 11 . 1 1 3 3 THR CB C 3 69.037 69.037 69.053 -0.016 19833
1230 1 11 . 1 1 3 3 THR H H 3 8.487 8.487 8.011 0.476 19833
1231 1 11 . 1 1 4 4 ILE N N 4 121.254 121.254 123.674 -2.420 19833
1232 1 11 . 1 1 4 4 ILE HA H 4 4.120 4.120 3.982 0.138 19833
1233 1 11 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.964 0.841 19833
1234 1 11 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.839 0.293 19833
1235 1 11 . 1 1 4 4 ILE H H 4 8.561 8.561 8.138 0.423 19833
1236 1 11 . 1 1 5 5 LEU N N 5 119.718 119.718 119.690 0.028 19833
1237 1 11 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.968 0.230 19833
1238 1 11 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.090 -0.669 19833
1239 1 11 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.947 0.320 19833
1240 1 11 . 1 1 5 5 LEU H H 5 7.944 7.944 8.135 -0.191 19833
1241 1 11 . 1 1 6 6 ARG N N 6 118.685 118.685 118.854 -0.169 19833
1242 1 11 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.089 0.054 19833
1243 1 11 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.229 0.636 19833
1244 1 11 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.332 0.529 19833
1245 1 11 . 1 1 6 6 ARG H H 6 8.013 8.013 7.780 0.233 19833
1246 1 11 . 1 1 7 7 PHE N N 7 118.774 118.774 121.077 -2.303 19833
1247 1 11 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.474 0.022 19833
1248 1 11 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.477 -0.140 19833
1249 1 11 . 1 1 7 7 PHE H H 7 7.950 7.950 7.818 0.132 19833
1250 1 11 . 1 1 8 8 VAL N N 8 116.545 116.545 119.410 -2.865 19833
1251 1 11 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833
1252 1 11 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.312 -1.197 19833
1253 1 11 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.890 1.183 19833
1254 1 11 . 1 1 8 8 VAL H H 8 8.014 8.014 8.694 -0.680 19833
1255 1 11 . 1 1 9 9 ALA N N 9 121.564 121.564 122.413 -0.849 19833
1256 1 11 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.004 0.237 19833
1257 1 11 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.728 -1.090 19833
1258 1 11 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.923 0.724 19833
1259 1 11 . 1 1 9 9 ALA H H 9 8.087 8.087 7.901 0.186 19833
1260 1 11 . 1 1 10 10 GLY N N 10 104.760 104.760 105.335 -0.575 19833
1261 1 11 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.481 -1.067 19833
1262 1 11 . 1 1 10 10 GLY H H 10 8.143 8.143 7.843 0.300 19833
1263 1 11 . 1 1 11 11 TYR N N 11 121.166 121.166 122.656 -1.490 19833
1264 1 11 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.146 0.189 19833
1265 1 11 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.663 -0.531 19833
1266 1 11 . 1 1 11 11 TYR H H 11 8.010 8.010 7.569 0.441 19833
1267 1 11 . 1 1 12 12 ASP N N 12 119.461 119.461 119.947 -0.486 19833
1268 1 11 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.466 0.158 19833
1269 1 11 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.452 -0.946 19833
1270 1 11 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.791 -2.552 19833
1271 1 11 . 1 1 12 12 ASP H H 12 8.416 8.416 8.650 -0.234 19833
1272 1 11 . 1 1 13 13 ILE N N 13 120.538 120.538 119.322 1.216 19833
1273 1 11 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.940 0.062 19833
1274 1 11 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.612 -1.284 19833
1275 1 11 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.235 0.377 19833
1276 1 11 . 1 1 13 13 ILE H H 13 8.155 8.155 7.201 0.954 19833
1277 1 11 . 1 1 14 14 ALA N N 14 123.708 123.708 122.255 1.453 19833
1278 1 11 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.950 0.299 19833
1279 1 11 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.375 -1.455 19833
1280 1 11 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.976 1.009 19833
1281 1 11 . 1 1 14 14 ALA H H 14 8.276 8.276 8.326 -0.050 19833
1282 1 11 . 1 1 15 15 SER N N 15 112.747 112.747 112.541 0.206 19833
1283 1 11 . 1 1 15 15 SER HA H 15 4.306 4.306 3.934 0.372 19833
1284 1 11 . 1 1 15 15 SER CA C 15 59.618 59.618 60.989 -1.371 19833
1285 1 11 . 1 1 15 15 SER CB C 15 63.522 63.522 63.192 0.330 19833
1286 1 11 . 1 1 15 15 SER H H 15 8.068 8.068 8.153 -0.085 19833
1287 1 11 . 1 1 16 16 HIS N N 16 119.224 119.224 121.465 -2.241 19833
1288 1 11 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.399 0.308 19833
1289 1 11 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.033 -1.345 19833
1290 1 11 . 1 1 16 16 HIS H H 16 8.161 8.161 7.682 0.479 19833
1291 1 11 . 1 1 17 17 LYS N N 17 120.978 120.978 119.189 1.789 19833
1292 1 11 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.135 0.207 19833
1293 1 11 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.782 -1.914 19833
1294 1 11 . 1 1 17 17 LYS H H 17 8.083 8.083 7.978 0.105 19833
1295 1 11 . 1 1 18 18 LYS N N 18 121.764 121.764 118.239 3.525 19833
1296 1 11 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.166 0.179 19833
1297 1 11 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.562 -0.895 19833
1298 1 11 . 1 1 18 18 LYS H H 18 8.235 8.235 7.916 0.319 19833
1299 1 11 . 1 1 19 19 LYS N N 19 122.420 122.420 119.441 2.979 19833
1300 1 11 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.977 0.438 19833
1301 1 11 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.249 -0.502 19833
1302 1 11 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.991 2.456 19833
1303 1 11 . 1 1 19 19 LYS H H 19 8.397 8.397 7.992 0.405 19833
1304 1 11 . 1 1 20 20 THR N N 20 114.054 114.054 116.084 -2.030 19833
1305 1 11 . 1 1 20 20 THR HA H 20 4.417 4.417 4.339 0.078 19833
1306 1 11 . 1 1 20 20 THR CA C 20 61.883 61.883 61.389 0.494 19833
1307 1 11 . 1 1 20 20 THR CB C 20 69.985 69.985 69.720 0.265 19833
1308 1 11 . 1 1 20 20 THR H H 20 8.093 8.093 8.048 0.045 19833
1309 1 11 . 1 1 21 21 GLY N N 21 110.822 110.822 112.047 -1.225 19833
1310 1 11 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.790 -0.450 19833
1311 1 11 . 1 1 21 21 GLY H H 21 8.360 8.360 8.359 0.001 19833
1312 1 11 . 1 1 22 22 GLY N N 22 107.828 107.828 111.426 -3.598 19833
1313 1 11 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.776 -0.918 19833
1314 1 11 . 1 1 22 22 GLY H H 22 8.144 8.144 7.968 0.176 19833
1315 1 11 . 1 1 23 23 TYR N N 23 119.305 119.305 123.647 -4.342 19833
1316 1 11 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.090 0.428 19833
1317 1 11 . 1 1 23 23 TYR H H 23 7.871 7.871 8.023 -0.152 19833
1318 1 11 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.384 0.007 19833
1319 1 11 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.580 0.068 19833
1320 1 11 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.259 -0.555 19833
1321 1 11 . 1 1 25 25 TRP N N 25 113.569 113.569 117.150 -3.581 19833
1322 1 11 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.902 -0.512 19833
1323 1 11 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.100 -0.471 19833
1324 1 11 . 1 1 25 25 TRP H H 25 6.927 6.927 7.289 -0.362 19833
1325 1 11 . 1 1 26 26 GLU N N 26 120.107 120.107 122.568 -2.461 19833
1326 1 11 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.529 -0.060 19833
1327 1 11 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.036 -0.158 19833
1328 1 11 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.647 1.294 19833
1329 1 11 . 1 1 26 26 GLU H H 26 7.657 7.657 7.606 0.051 19833
1330 1 11 . 1 1 27 27 ARG N N 27 120.913 120.913 120.615 0.298 19833
1331 1 11 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.491 -0.126 19833
1332 1 11 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.324 1.219 19833
1333 1 11 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.276 0.630 19833
1334 1 11 . 1 1 27 27 ARG H H 27 8.164 8.164 7.524 0.640 19833
1335 1 11 . 1 1 28 28 GLY N N 28 109.371 109.371 109.218 0.153 19833
1336 1 11 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.389 0.081 19833
1337 1 11 . 1 1 28 28 GLY H H 28 8.487 8.487 8.390 0.097 19833
1338 1 11 . 1 1 29 29 LYS N N 29 120.511 120.511 122.900 -2.389 19833
1339 1 11 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.334 0.083 19833
1340 1 11 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.814 0.241 19833
1341 1 11 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.597 2.531 19833
1342 1 11 . 1 1 29 29 LYS H H 29 8.116 8.116 8.468 -0.352 19833
1343 1 12 . 1 1 2 2 LYS N N 2 124.507 124.507 122.372 2.135 19833
1344 1 12 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.219 0.179 19833
1345 1 12 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.983 -0.005 19833
1346 1 12 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.382 0.738 19833
1347 1 12 . 1 1 2 2 LYS H H 2 9.055 9.055 8.528 0.527 19833
1348 1 12 . 1 1 3 3 THR N N 3 116.151 116.151 115.652 0.499 19833
1349 1 12 . 1 1 3 3 THR HA H 3 4.228 4.228 4.499 -0.271 19833
1350 1 12 . 1 1 3 3 THR CA C 3 64.622 64.622 60.616 4.006 19833
1351 1 12 . 1 1 3 3 THR CB C 3 69.037 69.037 68.505 0.532 19833
1352 1 12 . 1 1 3 3 THR H H 3 8.487 8.487 7.929 0.558 19833
1353 1 12 . 1 1 4 4 ILE N N 4 121.254 121.254 123.326 -2.072 19833
1354 1 12 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.012 0.108 19833
1355 1 12 . 1 1 4 4 ILE CA C 4 63.805 63.805 63.004 0.801 19833
1356 1 12 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.946 0.186 19833
1357 1 12 . 1 1 4 4 ILE H H 4 8.561 8.561 7.976 0.585 19833
1358 1 12 . 1 1 5 5 LEU N N 5 119.718 119.718 119.540 0.178 19833
1359 1 12 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.967 0.231 19833
1360 1 12 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.047 -0.626 19833
1361 1 12 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.956 0.311 19833
1362 1 12 . 1 1 5 5 LEU H H 5 7.944 7.944 8.164 -0.220 19833
1363 1 12 . 1 1 6 6 ARG N N 6 118.685 118.685 118.810 -0.125 19833
1364 1 12 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.080 0.063 19833
1365 1 12 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.246 0.619 19833
1366 1 12 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.335 0.526 19833
1367 1 12 . 1 1 6 6 ARG H H 6 8.013 8.013 7.773 0.240 19833
1368 1 12 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833
1369 1 12 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.436 0.060 19833
1370 1 12 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.710 -0.373 19833
1371 1 12 . 1 1 7 7 PHE H H 7 7.950 7.950 7.803 0.147 19833
1372 1 12 . 1 1 8 8 VAL N N 8 116.545 116.545 119.006 -2.461 19833
1373 1 12 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.204 0.702 19833
1374 1 12 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.184 -1.069 19833
1375 1 12 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.276 0.797 19833
1376 1 12 . 1 1 8 8 VAL H H 8 8.014 8.014 8.781 -0.767 19833
1377 1 12 . 1 1 9 9 ALA N N 9 121.564 121.564 122.334 -0.770 19833
1378 1 12 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.987 0.254 19833
1379 1 12 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.684 -1.046 19833
1380 1 12 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.923 0.724 19833
1381 1 12 . 1 1 9 9 ALA H H 9 8.087 8.087 7.910 0.177 19833
1382 1 12 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833
1383 1 12 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.472 -1.058 19833
1384 1 12 . 1 1 10 10 GLY H H 10 8.143 8.143 7.829 0.314 19833
1385 1 12 . 1 1 11 11 TYR N N 11 121.166 121.166 122.678 -1.512 19833
1386 1 12 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.155 0.180 19833
1387 1 12 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.697 -0.565 19833
1388 1 12 . 1 1 11 11 TYR H H 11 8.010 8.010 7.558 0.452 19833
1389 1 12 . 1 1 12 12 ASP N N 12 119.461 119.461 119.641 -0.180 19833
1390 1 12 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.485 0.139 19833
1391 1 12 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.264 -0.758 19833
1392 1 12 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.723 -2.484 19833
1393 1 12 . 1 1 12 12 ASP H H 12 8.416 8.416 8.598 -0.182 19833
1394 1 12 . 1 1 13 13 ILE N N 13 120.538 120.538 119.259 1.279 19833
1395 1 12 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.818 0.184 19833
1396 1 12 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.458 -1.130 19833
1397 1 12 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.322 0.290 19833
1398 1 12 . 1 1 13 13 ILE H H 13 8.155 8.155 7.184 0.971 19833
1399 1 12 . 1 1 14 14 ALA N N 14 123.708 123.708 122.226 1.482 19833
1400 1 12 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.932 0.317 19833
1401 1 12 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.316 -1.396 19833
1402 1 12 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.824 1.161 19833
1403 1 12 . 1 1 14 14 ALA H H 14 8.276 8.276 8.348 -0.072 19833
1404 1 12 . 1 1 15 15 SER N N 15 112.747 112.747 112.260 0.487 19833
1405 1 12 . 1 1 15 15 SER HA H 15 4.306 4.306 4.007 0.299 19833
1406 1 12 . 1 1 15 15 SER CA C 15 59.618 59.618 61.256 -1.638 19833
1407 1 12 . 1 1 15 15 SER CB C 15 63.522 63.522 63.105 0.417 19833
1408 1 12 . 1 1 15 15 SER H H 15 8.068 8.068 8.035 0.033 19833
1409 1 12 . 1 1 16 16 HIS N N 16 119.224 119.224 119.977 -0.753 19833
1410 1 12 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.410 0.297 19833
1411 1 12 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.279 -1.591 19833
1412 1 12 . 1 1 16 16 HIS H H 16 8.161 8.161 7.693 0.468 19833
1413 1 12 . 1 1 17 17 LYS N N 17 120.978 120.978 119.094 1.884 19833
1414 1 12 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.187 0.155 19833
1415 1 12 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.349 -1.481 19833
1416 1 12 . 1 1 17 17 LYS H H 17 8.083 8.083 7.943 0.140 19833
1417 1 12 . 1 1 18 18 LYS N N 18 121.764 121.764 118.143 3.621 19833
1418 1 12 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.220 0.125 19833
1419 1 12 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.323 0.344 19833
1420 1 12 . 1 1 18 18 LYS H H 18 8.235 8.235 7.819 0.416 19833
1421 1 12 . 1 1 19 19 LYS N N 19 122.420 122.420 119.442 2.978 19833
1422 1 12 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.971 0.444 19833
1423 1 12 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.995 -0.248 19833
1424 1 12 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.772 2.675 19833
1425 1 12 . 1 1 19 19 LYS H H 19 8.397 8.397 8.031 0.366 19833
1426 1 12 . 1 1 20 20 THR N N 20 114.054 114.054 117.142 -3.088 19833
1427 1 12 . 1 1 20 20 THR HA H 20 4.417 4.417 4.413 0.004 19833
1428 1 12 . 1 1 20 20 THR CA C 20 61.883 61.883 60.904 0.979 19833
1429 1 12 . 1 1 20 20 THR CB C 20 69.985 69.985 70.081 -0.096 19833
1430 1 12 . 1 1 20 20 THR H H 20 8.093 8.093 7.838 0.255 19833
1431 1 12 . 1 1 21 21 GLY N N 21 110.822 110.822 109.694 1.128 19833
1432 1 12 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.449 -0.109 19833
1433 1 12 . 1 1 21 21 GLY H H 21 8.360 8.360 8.405 -0.045 19833
1434 1 12 . 1 1 22 22 GLY N N 22 107.828 107.828 108.440 -0.612 19833
1435 1 12 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.134 0.724 19833
1436 1 12 . 1 1 22 22 GLY H H 22 8.144 8.144 7.700 0.444 19833
1437 1 12 . 1 1 23 23 TYR N N 23 119.305 119.305 124.146 -4.841 19833
1438 1 12 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.075 0.443 19833
1439 1 12 . 1 1 23 23 TYR H H 23 7.871 7.871 8.090 -0.219 19833
1440 1 12 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.366 0.025 19833
1441 1 12 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.872 -0.224 19833
1442 1 12 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.175 -0.471 19833
1443 1 12 . 1 1 25 25 TRP N N 25 113.569 113.569 116.905 -3.336 19833
1444 1 12 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.926 -0.536 19833
1445 1 12 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.250 -0.621 19833
1446 1 12 . 1 1 25 25 TRP H H 25 6.927 6.927 7.305 -0.378 19833
1447 1 12 . 1 1 26 26 GLU N N 26 120.107 120.107 122.418 -2.311 19833
1448 1 12 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.566 -0.097 19833
1449 1 12 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.598 0.280 19833
1450 1 12 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.929 1.012 19833
1451 1 12 . 1 1 26 26 GLU H H 26 7.657 7.657 7.577 0.081 19833
1452 1 12 . 1 1 27 27 ARG N N 27 120.913 120.913 120.548 0.365 19833
1453 1 12 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.445 -0.080 19833
1454 1 12 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.607 0.936 19833
1455 1 12 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.267 0.639 19833
1456 1 12 . 1 1 27 27 ARG H H 27 8.164 8.164 7.549 0.615 19833
1457 1 12 . 1 1 28 28 GLY N N 28 109.371 109.371 110.147 -0.776 19833
1458 1 12 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.113 0.357 19833
1459 1 12 . 1 1 28 28 GLY H H 28 8.487 8.487 8.758 -0.271 19833
1460 1 12 . 1 1 29 29 LYS N N 29 120.511 120.511 121.306 -0.795 19833
1461 1 12 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.488 -0.071 19833
1462 1 12 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.321 -0.266 19833
1463 1 12 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.983 -0.855 19833
1464 1 12 . 1 1 29 29 LYS H H 29 8.116 8.116 8.042 0.074 19833
1465 1 13 . 1 1 2 2 LYS N N 2 124.507 124.507 121.837 2.670 19833
1466 1 13 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.447 -0.049 19833
1467 1 13 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.332 0.646 19833
1468 1 13 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.987 0.133 19833
1469 1 13 . 1 1 2 2 LYS H H 2 9.055 9.055 8.312 0.743 19833
1470 1 13 . 1 1 3 3 THR N N 3 116.151 116.151 114.885 1.266 19833
1471 1 13 . 1 1 3 3 THR HA H 3 4.228 4.228 4.453 -0.225 19833
1472 1 13 . 1 1 3 3 THR CA C 3 64.622 64.622 60.555 4.067 19833
1473 1 13 . 1 1 3 3 THR CB C 3 69.037 69.037 68.385 0.652 19833
1474 1 13 . 1 1 3 3 THR H H 3 8.487 8.487 8.023 0.464 19833
1475 1 13 . 1 1 4 4 ILE N N 4 121.254 121.254 122.969 -1.715 19833
1476 1 13 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.050 0.070 19833
1477 1 13 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.445 1.360 19833
1478 1 13 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.907 0.225 19833
1479 1 13 . 1 1 4 4 ILE H H 4 8.561 8.561 8.286 0.275 19833
1480 1 13 . 1 1 5 5 LEU N N 5 119.718 119.718 119.676 0.042 19833
1481 1 13 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.960 0.238 19833
1482 1 13 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.084 -0.663 19833
1483 1 13 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.941 0.326 19833
1484 1 13 . 1 1 5 5 LEU H H 5 7.944 7.944 8.146 -0.202 19833
1485 1 13 . 1 1 6 6 ARG N N 6 118.685 118.685 118.825 -0.140 19833
1486 1 13 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.080 0.063 19833
1487 1 13 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.210 0.655 19833
1488 1 13 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.313 0.548 19833
1489 1 13 . 1 1 6 6 ARG H H 6 8.013 8.013 7.765 0.248 19833
1490 1 13 . 1 1 7 7 PHE N N 7 118.774 118.774 121.072 -2.298 19833
1491 1 13 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.470 0.026 19833
1492 1 13 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.476 -0.139 19833
1493 1 13 . 1 1 7 7 PHE H H 7 7.950 7.950 7.811 0.139 19833
1494 1 13 . 1 1 8 8 VAL N N 8 116.545 116.545 119.414 -2.869 19833
1495 1 13 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.281 0.625 19833
1496 1 13 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.312 -1.197 19833
1497 1 13 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.879 1.194 19833
1498 1 13 . 1 1 8 8 VAL H H 8 8.014 8.014 8.690 -0.676 19833
1499 1 13 . 1 1 9 9 ALA N N 9 121.564 121.564 122.377 -0.813 19833
1500 1 13 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.977 0.264 19833
1501 1 13 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.697 -1.060 19833
1502 1 13 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.910 0.737 19833
1503 1 13 . 1 1 9 9 ALA H H 9 8.087 8.087 7.887 0.200 19833
1504 1 13 . 1 1 10 10 GLY N N 10 104.760 104.760 105.305 -0.545 19833
1505 1 13 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833
1506 1 13 . 1 1 10 10 GLY H H 10 8.143 8.143 7.820 0.323 19833
1507 1 13 . 1 1 11 11 TYR N N 11 121.166 121.166 122.682 -1.516 19833
1508 1 13 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.156 0.179 19833
1509 1 13 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.634 -0.502 19833
1510 1 13 . 1 1 11 11 TYR H H 11 8.010 8.010 7.549 0.461 19833
1511 1 13 . 1 1 12 12 ASP N N 12 119.461 119.461 119.344 0.117 19833
1512 1 13 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.460 0.164 19833
1513 1 13 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.097 -0.591 19833
1514 1 13 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.668 -2.429 19833
1515 1 13 . 1 1 12 12 ASP H H 12 8.416 8.416 8.576 -0.160 19833
1516 1 13 . 1 1 13 13 ILE N N 13 120.538 120.538 119.088 1.450 19833
1517 1 13 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.847 0.155 19833
1518 1 13 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.342 -1.014 19833
1519 1 13 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.387 0.225 19833
1520 1 13 . 1 1 13 13 ILE H H 13 8.155 8.155 7.170 0.985 19833
1521 1 13 . 1 1 14 14 ALA N N 14 123.708 123.708 122.273 1.435 19833
1522 1 13 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.925 0.324 19833
1523 1 13 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.346 -1.425 19833
1524 1 13 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.795 1.190 19833
1525 1 13 . 1 1 14 14 ALA H H 14 8.276 8.276 8.211 0.065 19833
1526 1 13 . 1 1 15 15 SER N N 15 112.747 112.747 112.440 0.307 19833
1527 1 13 . 1 1 15 15 SER HA H 15 4.306 4.306 3.975 0.331 19833
1528 1 13 . 1 1 15 15 SER CA C 15 59.618 59.618 60.797 -1.179 19833
1529 1 13 . 1 1 15 15 SER CB C 15 63.522 63.522 63.244 0.278 19833
1530 1 13 . 1 1 15 15 SER H H 15 8.068 8.068 8.066 0.002 19833
1531 1 13 . 1 1 16 16 HIS N N 16 119.224 119.224 118.672 0.552 19833
1532 1 13 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.445 0.262 19833
1533 1 13 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.252 -1.564 19833
1534 1 13 . 1 1 16 16 HIS H H 16 8.161 8.161 7.798 0.363 19833
1535 1 13 . 1 1 17 17 LYS N N 17 120.978 120.978 119.499 1.479 19833
1536 1 13 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.243 0.099 19833
1537 1 13 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.657 -1.789 19833
1538 1 13 . 1 1 17 17 LYS H H 17 8.083 8.083 8.123 -0.040 19833
1539 1 13 . 1 1 18 18 LYS N N 18 121.764 121.764 118.166 3.598 19833
1540 1 13 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.202 0.143 19833
1541 1 13 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.010 -0.342 19833
1542 1 13 . 1 1 18 18 LYS H H 18 8.235 8.235 7.856 0.379 19833
1543 1 13 . 1 1 19 19 LYS N N 19 122.420 122.420 119.942 2.478 19833
1544 1 13 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.009 0.406 19833
1545 1 13 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.115 -0.368 19833
1546 1 13 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.653 2.794 19833
1547 1 13 . 1 1 19 19 LYS H H 19 8.397 8.397 7.897 0.500 19833
1548 1 13 . 1 1 20 20 THR N N 20 114.054 114.054 117.259 -3.205 19833
1549 1 13 . 1 1 20 20 THR HA H 20 4.417 4.417 4.293 0.124 19833
1550 1 13 . 1 1 20 20 THR CA C 20 61.883 61.883 61.777 0.106 19833
1551 1 13 . 1 1 20 20 THR CB C 20 69.985 69.985 69.576 0.409 19833
1552 1 13 . 1 1 20 20 THR H H 20 8.093 8.093 7.929 0.164 19833
1553 1 13 . 1 1 21 21 GLY N N 21 110.822 110.822 111.950 -1.128 19833
1554 1 13 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.232 0.108 19833
1555 1 13 . 1 1 21 21 GLY H H 21 8.360 8.360 8.461 -0.101 19833
1556 1 13 . 1 1 22 22 GLY N N 22 107.828 107.828 108.341 -0.513 19833
1557 1 13 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.802 0.056 19833
1558 1 13 . 1 1 22 22 GLY H H 22 8.144 8.144 7.788 0.356 19833
1559 1 13 . 1 1 23 23 TYR N N 23 119.305 119.305 124.279 -4.974 19833
1560 1 13 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.211 0.307 19833
1561 1 13 . 1 1 23 23 TYR H H 23 7.871 7.871 8.274 -0.403 19833
1562 1 13 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.369 0.022 19833
1563 1 13 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.663 -0.015 19833
1564 1 13 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.286 -0.582 19833
1565 1 13 . 1 1 25 25 TRP N N 25 113.569 113.569 117.235 -3.666 19833
1566 1 13 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.943 -0.553 19833
1567 1 13 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.068 -0.439 19833
1568 1 13 . 1 1 25 25 TRP H H 25 6.927 6.927 7.406 -0.479 19833
1569 1 13 . 1 1 26 26 GLU N N 26 120.107 120.107 121.963 -1.856 19833
1570 1 13 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.560 -0.091 19833
1571 1 13 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.758 0.120 19833
1572 1 13 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.998 0.943 19833
1573 1 13 . 1 1 26 26 GLU H H 26 7.657 7.657 7.496 0.161 19833
1574 1 13 . 1 1 27 27 ARG N N 27 120.913 120.913 119.815 1.098 19833
1575 1 13 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.420 -0.055 19833
1576 1 13 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.796 0.747 19833
1577 1 13 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.114 0.792 19833
1578 1 13 . 1 1 27 27 ARG H H 27 8.164 8.164 7.733 0.431 19833
1579 1 13 . 1 1 28 28 GLY N N 28 109.371 109.371 109.810 -0.439 19833
1580 1 13 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.241 0.229 19833
1581 1 13 . 1 1 28 28 GLY H H 28 8.487 8.487 8.063 0.424 19833
1582 1 13 . 1 1 29 29 LYS N N 29 120.511 120.511 121.163 -0.652 19833
1583 1 13 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.523 -0.106 19833
1584 1 13 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.023 0.032 19833
1585 1 13 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.456 0.672 19833
1586 1 13 . 1 1 29 29 LYS H H 29 8.116 8.116 8.139 -0.023 19833
1587 1 14 . 1 1 2 2 LYS N N 2 124.507 124.507 121.300 3.207 19833
1588 1 14 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.558 -0.160 19833
1589 1 14 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.903 0.075 19833
1590 1 14 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.997 0.123 19833
1591 1 14 . 1 1 2 2 LYS H H 2 9.055 9.055 8.699 0.356 19833
1592 1 14 . 1 1 3 3 THR N N 3 116.151 116.151 113.829 2.322 19833
1593 1 14 . 1 1 3 3 THR HA H 3 4.228 4.228 4.550 -0.322 19833
1594 1 14 . 1 1 3 3 THR CA C 3 64.622 64.622 61.268 3.354 19833
1595 1 14 . 1 1 3 3 THR CB C 3 69.037 69.037 69.182 -0.145 19833
1596 1 14 . 1 1 3 3 THR H H 3 8.487 8.487 7.785 0.702 19833
1597 1 14 . 1 1 4 4 ILE N N 4 121.254 121.254 123.597 -2.343 19833
1598 1 14 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.047 0.073 19833
1599 1 14 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.762 1.043 19833
1600 1 14 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.852 0.279 19833
1601 1 14 . 1 1 4 4 ILE H H 4 8.561 8.561 8.186 0.375 19833
1602 1 14 . 1 1 5 5 LEU N N 5 119.718 119.718 119.490 0.228 19833
1603 1 14 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.051 0.147 19833
1604 1 14 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.669 -0.248 19833
1605 1 14 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.611 0.656 19833
1606 1 14 . 1 1 5 5 LEU H H 5 7.944 7.944 7.892 0.052 19833
1607 1 14 . 1 1 6 6 ARG N N 6 118.685 118.685 118.826 -0.141 19833
1608 1 14 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833
1609 1 14 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.218 0.647 19833
1610 1 14 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.314 0.546 19833
1611 1 14 . 1 1 6 6 ARG H H 6 8.013 8.013 7.768 0.245 19833
1612 1 14 . 1 1 7 7 PHE N N 7 118.774 118.774 121.169 -2.395 19833
1613 1 14 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.488 0.008 19833
1614 1 14 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.712 -0.376 19833
1615 1 14 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833
1616 1 14 . 1 1 8 8 VAL N N 8 116.545 116.545 118.936 -2.391 19833
1617 1 14 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.304 0.602 19833
1618 1 14 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.637 -0.522 19833
1619 1 14 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.426 1.647 19833
1620 1 14 . 1 1 8 8 VAL H H 8 8.014 8.014 8.752 -0.738 19833
1621 1 14 . 1 1 9 9 ALA N N 9 121.564 121.564 122.539 -0.975 19833
1622 1 14 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.016 0.225 19833
1623 1 14 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.650 -1.012 19833
1624 1 14 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.083 0.564 19833
1625 1 14 . 1 1 9 9 ALA H H 9 8.087 8.087 7.932 0.155 19833
1626 1 14 . 1 1 10 10 GLY N N 10 104.760 104.760 105.290 -0.530 19833
1627 1 14 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.466 -1.052 19833
1628 1 14 . 1 1 10 10 GLY H H 10 8.143 8.143 7.864 0.279 19833
1629 1 14 . 1 1 11 11 TYR N N 11 121.166 121.166 122.631 -1.465 19833
1630 1 14 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.144 0.191 19833
1631 1 14 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.717 -0.584 19833
1632 1 14 . 1 1 11 11 TYR H H 11 8.010 8.010 7.566 0.444 19833
1633 1 14 . 1 1 12 12 ASP N N 12 119.461 119.461 120.021 -0.560 19833
1634 1 14 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.451 0.173 19833
1635 1 14 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.522 -1.016 19833
1636 1 14 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.738 -2.499 19833
1637 1 14 . 1 1 12 12 ASP H H 12 8.416 8.416 8.562 -0.146 19833
1638 1 14 . 1 1 13 13 ILE N N 13 120.538 120.538 119.357 1.181 19833
1639 1 14 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.894 0.108 19833
1640 1 14 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.358 -1.030 19833
1641 1 14 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.404 0.208 19833
1642 1 14 . 1 1 13 13 ILE H H 13 8.155 8.155 7.185 0.970 19833
1643 1 14 . 1 1 14 14 ALA N N 14 123.708 123.708 122.200 1.508 19833
1644 1 14 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.922 0.327 19833
1645 1 14 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.305 -1.385 19833
1646 1 14 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.814 1.171 19833
1647 1 14 . 1 1 14 14 ALA H H 14 8.276 8.276 8.276 -0.000 19833
1648 1 14 . 1 1 15 15 SER N N 15 112.747 112.747 112.262 0.485 19833
1649 1 14 . 1 1 15 15 SER HA H 15 4.306 4.306 3.996 0.310 19833
1650 1 14 . 1 1 15 15 SER CA C 15 59.618 59.618 61.034 -1.416 19833
1651 1 14 . 1 1 15 15 SER CB C 15 63.522 63.522 63.039 0.483 19833
1652 1 14 . 1 1 15 15 SER H H 15 8.068 8.068 8.030 0.038 19833
1653 1 14 . 1 1 16 16 HIS N N 16 119.224 119.224 120.024 -0.800 19833
1654 1 14 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.476 0.231 19833
1655 1 14 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.207 -1.519 19833
1656 1 14 . 1 1 16 16 HIS H H 16 8.161 8.161 7.638 0.523 19833
1657 1 14 . 1 1 17 17 LYS N N 17 120.978 120.978 119.115 1.863 19833
1658 1 14 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.169 0.173 19833
1659 1 14 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.269 -1.401 19833
1660 1 14 . 1 1 17 17 LYS H H 17 8.083 8.083 7.953 0.130 19833
1661 1 14 . 1 1 18 18 LYS N N 18 121.764 121.764 117.522 4.242 19833
1662 1 14 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.180 0.165 19833
1663 1 14 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.945 -0.278 19833
1664 1 14 . 1 1 18 18 LYS H H 18 8.235 8.235 7.709 0.526 19833
1665 1 14 . 1 1 19 19 LYS N N 19 122.420 122.420 119.192 3.228 19833
1666 1 14 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.982 0.433 19833
1667 1 14 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.883 -0.136 19833
1668 1 14 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.750 2.697 19833
1669 1 14 . 1 1 19 19 LYS H H 19 8.397 8.397 8.031 0.366 19833
1670 1 14 . 1 1 20 20 THR N N 20 114.054 114.054 117.754 -3.700 19833
1671 1 14 . 1 1 20 20 THR HA H 20 4.417 4.417 4.525 -0.108 19833
1672 1 14 . 1 1 20 20 THR CA C 20 61.883 61.883 61.280 0.603 19833
1673 1 14 . 1 1 20 20 THR CB C 20 69.985 69.985 69.957 0.028 19833
1674 1 14 . 1 1 20 20 THR H H 20 8.093 8.093 8.368 -0.275 19833
1675 1 14 . 1 1 21 21 GLY N N 21 110.822 110.822 115.001 -4.179 19833
1676 1 14 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.246 0.094 19833
1677 1 14 . 1 1 21 21 GLY H H 21 8.360 8.360 8.453 -0.093 19833
1678 1 14 . 1 1 22 22 GLY N N 22 107.828 107.828 111.026 -3.198 19833
1679 1 14 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.696 0.162 19833
1680 1 14 . 1 1 22 22 GLY H H 22 8.144 8.144 8.482 -0.338 19833
1681 1 14 . 1 1 23 23 TYR N N 23 119.305 119.305 120.660 -1.355 19833
1682 1 14 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.209 0.309 19833
1683 1 14 . 1 1 23 23 TYR H H 23 7.871 7.871 8.073 -0.202 19833
1684 1 14 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.389 0.002 19833
1685 1 14 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.499 0.149 19833
1686 1 14 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.327 -0.623 19833
1687 1 14 . 1 1 25 25 TRP N N 25 113.569 113.569 116.514 -2.945 19833
1688 1 14 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.949 -0.559 19833
1689 1 14 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.122 -0.493 19833
1690 1 14 . 1 1 25 25 TRP H H 25 6.927 6.927 7.270 -0.343 19833
1691 1 14 . 1 1 26 26 GLU N N 26 120.107 120.107 122.733 -2.626 19833
1692 1 14 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.608 -0.139 19833
1693 1 14 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.039 -0.161 19833
1694 1 14 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.784 1.157 19833
1695 1 14 . 1 1 26 26 GLU H H 26 7.657 7.657 7.660 -0.003 19833
1696 1 14 . 1 1 27 27 ARG N N 27 120.913 120.913 119.178 1.735 19833
1697 1 14 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.524 -0.159 19833
1698 1 14 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.799 0.744 19833
1699 1 14 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.113 0.793 19833
1700 1 14 . 1 1 27 27 ARG H H 27 8.164 8.164 7.592 0.572 19833
1701 1 14 . 1 1 28 28 GLY N N 28 109.371 109.371 109.006 0.365 19833
1702 1 14 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.259 0.211 19833
1703 1 14 . 1 1 28 28 GLY H H 28 8.487 8.487 8.544 -0.057 19833
1704 1 14 . 1 1 29 29 LYS N N 29 120.511 120.511 119.238 1.273 19833
1705 1 14 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.440 -0.023 19833
1706 1 14 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.941 0.114 19833
1707 1 14 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.133 -0.005 19833
1708 1 14 . 1 1 29 29 LYS H H 29 8.116 8.116 7.940 0.176 19833
1709 1 15 . 1 1 2 2 LYS N N 2 124.507 124.507 123.351 1.156 19833
1710 1 15 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.354 0.044 19833
1711 1 15 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.682 0.296 19833
1712 1 15 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.784 0.336 19833
1713 1 15 . 1 1 2 2 LYS H H 2 9.055 9.055 8.529 0.526 19833
1714 1 15 . 1 1 3 3 THR N N 3 116.151 116.151 114.418 1.733 19833
1715 1 15 . 1 1 3 3 THR HA H 3 4.228 4.228 4.474 -0.246 19833
1716 1 15 . 1 1 3 3 THR CA C 3 64.622 64.622 60.231 4.391 19833
1717 1 15 . 1 1 3 3 THR CB C 3 69.037 69.037 68.300 0.737 19833
1718 1 15 . 1 1 3 3 THR H H 3 8.487 8.487 7.999 0.488 19833
1719 1 15 . 1 1 4 4 ILE N N 4 121.254 121.254 123.172 -1.918 19833
1720 1 15 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.035 0.085 19833
1721 1 15 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.524 1.281 19833
1722 1 15 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.798 0.334 19833
1723 1 15 . 1 1 4 4 ILE H H 4 8.561 8.561 8.155 0.406 19833
1724 1 15 . 1 1 5 5 LEU N N 5 119.718 119.718 119.628 0.090 19833
1725 1 15 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.964 0.234 19833
1726 1 15 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.082 -0.661 19833
1727 1 15 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.948 0.319 19833
1728 1 15 . 1 1 5 5 LEU H H 5 7.944 7.944 8.139 -0.195 19833
1729 1 15 . 1 1 6 6 ARG N N 6 118.685 118.685 118.824 -0.139 19833
1730 1 15 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833
1731 1 15 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.239 0.627 19833
1732 1 15 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.335 0.526 19833
1733 1 15 . 1 1 6 6 ARG H H 6 8.013 8.013 7.766 0.247 19833
1734 1 15 . 1 1 7 7 PHE N N 7 118.774 118.774 121.169 -2.395 19833
1735 1 15 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833
1736 1 15 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833
1737 1 15 . 1 1 7 7 PHE H H 7 7.950 7.950 7.827 0.123 19833
1738 1 15 . 1 1 8 8 VAL N N 8 116.545 116.545 118.933 -2.388 19833
1739 1 15 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.294 0.612 19833
1740 1 15 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.660 -0.545 19833
1741 1 15 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.416 1.657 19833
1742 1 15 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833
1743 1 15 . 1 1 9 9 ALA N N 9 121.564 121.564 122.471 -0.907 19833
1744 1 15 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.013 0.228 19833
1745 1 15 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.641 -1.003 19833
1746 1 15 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.075 0.572 19833
1747 1 15 . 1 1 9 9 ALA H H 9 8.087 8.087 7.933 0.154 19833
1748 1 15 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833
1749 1 15 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.473 -1.059 19833
1750 1 15 . 1 1 10 10 GLY H H 10 8.143 8.143 7.830 0.313 19833
1751 1 15 . 1 1 11 11 TYR N N 11 121.166 121.166 122.622 -1.456 19833
1752 1 15 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.144 0.191 19833
1753 1 15 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.668 -0.536 19833
1754 1 15 . 1 1 11 11 TYR H H 11 8.010 8.010 7.563 0.447 19833
1755 1 15 . 1 1 12 12 ASP N N 12 119.461 119.461 120.106 -0.645 19833
1756 1 15 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.449 0.175 19833
1757 1 15 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.650 -1.144 19833
1758 1 15 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.757 -2.518 19833
1759 1 15 . 1 1 12 12 ASP H H 12 8.416 8.416 8.600 -0.184 19833
1760 1 15 . 1 1 13 13 ILE N N 13 120.538 120.538 119.482 1.056 19833
1761 1 15 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.854 0.148 19833
1762 1 15 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.527 -1.199 19833
1763 1 15 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.342 0.271 19833
1764 1 15 . 1 1 13 13 ILE H H 13 8.155 8.155 7.197 0.958 19833
1765 1 15 . 1 1 14 14 ALA N N 14 123.708 123.708 122.400 1.308 19833
1766 1 15 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.929 0.320 19833
1767 1 15 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.371 -1.451 19833
1768 1 15 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.817 1.168 19833
1769 1 15 . 1 1 14 14 ALA H H 14 8.276 8.276 8.244 0.032 19833
1770 1 15 . 1 1 15 15 SER N N 15 112.747 112.747 112.545 0.202 19833
1771 1 15 . 1 1 15 15 SER HA H 15 4.306 4.306 4.004 0.302 19833
1772 1 15 . 1 1 15 15 SER CA C 15 59.618 59.618 60.874 -1.256 19833
1773 1 15 . 1 1 15 15 SER CB C 15 63.522 63.522 63.184 0.338 19833
1774 1 15 . 1 1 15 15 SER H H 15 8.068 8.068 8.082 -0.014 19833
1775 1 15 . 1 1 16 16 HIS N N 16 119.224 119.224 119.961 -0.737 19833
1776 1 15 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.476 0.231 19833
1777 1 15 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.184 -1.496 19833
1778 1 15 . 1 1 16 16 HIS H H 16 8.161 8.161 7.632 0.529 19833
1779 1 15 . 1 1 17 17 LYS N N 17 120.978 120.978 118.543 2.435 19833
1780 1 15 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.218 0.124 19833
1781 1 15 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.186 -1.318 19833
1782 1 15 . 1 1 17 17 LYS H H 17 8.083 8.083 8.050 0.033 19833
1783 1 15 . 1 1 18 18 LYS N N 18 121.764 121.764 117.815 3.949 19833
1784 1 15 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.201 0.144 19833
1785 1 15 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.545 0.122 19833
1786 1 15 . 1 1 18 18 LYS H H 18 8.235 8.235 7.800 0.435 19833
1787 1 15 . 1 1 19 19 LYS N N 19 122.420 122.420 119.519 2.901 19833
1788 1 15 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.006 0.409 19833
1789 1 15 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.981 -0.234 19833
1790 1 15 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.856 2.591 19833
1791 1 15 . 1 1 19 19 LYS H H 19 8.397 8.397 7.910 0.487 19833
1792 1 15 . 1 1 20 20 THR N N 20 114.054 114.054 119.316 -5.262 19833
1793 1 15 . 1 1 20 20 THR HA H 20 4.417 4.417 4.283 0.134 19833
1794 1 15 . 1 1 20 20 THR CA C 20 61.883 61.883 61.745 0.138 19833
1795 1 15 . 1 1 20 20 THR CB C 20 69.985 69.985 69.896 0.089 19833
1796 1 15 . 1 1 20 20 THR H H 20 8.093 8.093 8.184 -0.091 19833
1797 1 15 . 1 1 21 21 GLY N N 21 110.822 110.822 112.726 -1.904 19833
1798 1 15 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.907 0.433 19833
1799 1 15 . 1 1 21 21 GLY H H 21 8.360 8.360 8.284 0.076 19833
1800 1 15 . 1 1 22 22 GLY N N 22 107.828 107.828 110.926 -3.098 19833
1801 1 15 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.616 0.242 19833
1802 1 15 . 1 1 22 22 GLY H H 22 8.144 8.144 8.073 0.071 19833
1803 1 15 . 1 1 23 23 TYR N N 23 119.305 119.305 124.563 -5.258 19833
1804 1 15 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.094 0.424 19833
1805 1 15 . 1 1 23 23 TYR H H 23 7.871 7.871 8.166 -0.295 19833
1806 1 15 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.395 -0.004 19833
1807 1 15 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.646 0.002 19833
1808 1 15 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.225 -0.521 19833
1809 1 15 . 1 1 25 25 TRP N N 25 113.569 113.569 117.060 -3.491 19833
1810 1 15 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.912 -0.522 19833
1811 1 15 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.083 -0.454 19833
1812 1 15 . 1 1 25 25 TRP H H 25 6.927 6.927 7.308 -0.381 19833
1813 1 15 . 1 1 26 26 GLU N N 26 120.107 120.107 122.718 -2.611 19833
1814 1 15 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.548 -0.079 19833
1815 1 15 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.040 -0.162 19833
1816 1 15 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.887 1.054 19833
1817 1 15 . 1 1 26 26 GLU H H 26 7.657 7.657 7.510 0.147 19833
1818 1 15 . 1 1 27 27 ARG N N 27 120.913 120.913 120.051 0.862 19833
1819 1 15 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.397 -0.032 19833
1820 1 15 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.004 0.539 19833
1821 1 15 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.076 0.830 19833
1822 1 15 . 1 1 27 27 ARG H H 27 8.164 8.164 7.590 0.574 19833
1823 1 15 . 1 1 28 28 GLY N N 28 109.371 109.371 108.338 1.033 19833
1824 1 15 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.725 0.745 19833
1825 1 15 . 1 1 28 28 GLY H H 28 8.487 8.487 8.062 0.425 19833
1826 1 15 . 1 1 29 29 LYS N N 29 120.511 120.511 122.638 -2.127 19833
1827 1 15 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.431 -0.014 19833
1828 1 15 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.373 -0.318 19833
1829 1 15 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.188 -0.060 19833
1830 1 15 . 1 1 29 29 LYS H H 29 8.116 8.116 8.270 -0.154 19833
1831 1 16 . 1 1 2 2 LYS N N 2 124.507 124.507 121.798 2.709 19833
1832 1 16 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.260 0.138 19833
1833 1 16 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.390 -0.412 19833
1834 1 16 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.464 0.656 19833
1835 1 16 . 1 1 2 2 LYS H H 2 9.055 9.055 8.544 0.511 19833
1836 1 16 . 1 1 3 3 THR N N 3 116.151 116.151 113.279 2.872 19833
1837 1 16 . 1 1 3 3 THR HA H 3 4.228 4.228 4.547 -0.319 19833
1838 1 16 . 1 1 3 3 THR CA C 3 64.622 64.622 60.295 4.327 19833
1839 1 16 . 1 1 3 3 THR CB C 3 69.037 69.037 68.475 0.562 19833
1840 1 16 . 1 1 3 3 THR H H 3 8.487 8.487 7.890 0.597 19833
1841 1 16 . 1 1 4 4 ILE N N 4 121.254 121.254 123.010 -1.756 19833
1842 1 16 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.042 0.078 19833
1843 1 16 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.521 1.284 19833
1844 1 16 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.940 0.192 19833
1845 1 16 . 1 1 4 4 ILE H H 4 8.561 8.561 7.638 0.923 19833
1846 1 16 . 1 1 5 5 LEU N N 5 119.718 119.718 119.335 0.383 19833
1847 1 16 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.986 0.212 19833
1848 1 16 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.968 -0.547 19833
1849 1 16 . 1 1 5 5 LEU CB C 5 41.267 41.267 41.012 0.255 19833
1850 1 16 . 1 1 5 5 LEU H H 5 7.944 7.944 8.076 -0.132 19833
1851 1 16 . 1 1 6 6 ARG N N 6 118.685 118.685 118.840 -0.155 19833
1852 1 16 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833
1853 1 16 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.222 0.643 19833
1854 1 16 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.321 0.540 19833
1855 1 16 . 1 1 6 6 ARG H H 6 8.013 8.013 7.776 0.237 19833
1856 1 16 . 1 1 7 7 PHE N N 7 118.774 118.774 121.153 -2.379 19833
1857 1 16 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.485 0.011 19833
1858 1 16 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833
1859 1 16 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833
1860 1 16 . 1 1 8 8 VAL N N 8 116.545 116.545 118.934 -2.389 19833
1861 1 16 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.297 0.609 19833
1862 1 16 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.661 -0.546 19833
1863 1 16 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.419 1.654 19833
1864 1 16 . 1 1 8 8 VAL H H 8 8.014 8.014 8.745 -0.731 19833
1865 1 16 . 1 1 9 9 ALA N N 9 121.564 121.564 122.494 -0.930 19833
1866 1 16 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.019 0.222 19833
1867 1 16 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.667 -1.029 19833
1868 1 16 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.069 0.578 19833
1869 1 16 . 1 1 9 9 ALA H H 9 8.087 8.087 7.941 0.146 19833
1870 1 16 . 1 1 10 10 GLY N N 10 104.760 104.760 105.360 -0.600 19833
1871 1 16 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.492 -1.078 19833
1872 1 16 . 1 1 10 10 GLY H H 10 8.143 8.143 7.850 0.293 19833
1873 1 16 . 1 1 11 11 TYR N N 11 121.166 121.166 122.633 -1.467 19833
1874 1 16 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.149 0.186 19833
1875 1 16 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.696 -0.563 19833
1876 1 16 . 1 1 11 11 TYR H H 11 8.010 8.010 7.565 0.445 19833
1877 1 16 . 1 1 12 12 ASP N N 12 119.461 119.461 120.033 -0.572 19833
1878 1 16 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.481 0.143 19833
1879 1 16 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.327 -0.821 19833
1880 1 16 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.873 -2.634 19833
1881 1 16 . 1 1 12 12 ASP H H 12 8.416 8.416 8.589 -0.173 19833
1882 1 16 . 1 1 13 13 ILE N N 13 120.538 120.538 119.942 0.596 19833
1883 1 16 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.793 0.209 19833
1884 1 16 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.821 -1.493 19833
1885 1 16 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.207 0.405 19833
1886 1 16 . 1 1 13 13 ILE H H 13 8.155 8.155 7.308 0.848 19833
1887 1 16 . 1 1 14 14 ALA N N 14 123.708 123.708 122.115 1.593 19833
1888 1 16 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.926 0.323 19833
1889 1 16 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.411 -1.491 19833
1890 1 16 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.959 1.026 19833
1891 1 16 . 1 1 14 14 ALA H H 14 8.276 8.276 8.341 -0.065 19833
1892 1 16 . 1 1 15 15 SER N N 15 112.747 112.747 112.721 0.026 19833
1893 1 16 . 1 1 15 15 SER HA H 15 4.306 4.306 3.994 0.312 19833
1894 1 16 . 1 1 15 15 SER CA C 15 59.618 59.618 61.356 -1.738 19833
1895 1 16 . 1 1 15 15 SER CB C 15 63.522 63.522 63.176 0.346 19833
1896 1 16 . 1 1 15 15 SER H H 15 8.068 8.068 8.144 -0.076 19833
1897 1 16 . 1 1 16 16 HIS N N 16 119.224 119.224 121.660 -2.436 19833
1898 1 16 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.395 0.312 19833
1899 1 16 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.019 -1.331 19833
1900 1 16 . 1 1 16 16 HIS H H 16 8.161 8.161 7.542 0.619 19833
1901 1 16 . 1 1 17 17 LYS N N 17 120.978 120.978 118.108 2.870 19833
1902 1 16 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.223 0.119 19833
1903 1 16 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.328 -1.460 19833
1904 1 16 . 1 1 17 17 LYS H H 17 8.083 8.083 8.061 0.022 19833
1905 1 16 . 1 1 18 18 LYS N N 18 121.764 121.764 117.912 3.852 19833
1906 1 16 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.202 0.143 19833
1907 1 16 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.736 -0.070 19833
1908 1 16 . 1 1 18 18 LYS H H 18 8.235 8.235 7.767 0.468 19833
1909 1 16 . 1 1 19 19 LYS N N 19 122.420 122.420 119.778 2.642 19833
1910 1 16 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.031 0.384 19833
1911 1 16 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.042 -0.295 19833
1912 1 16 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.436 2.011 19833
1913 1 16 . 1 1 19 19 LYS H H 19 8.397 8.397 8.068 0.329 19833
1914 1 16 . 1 1 20 20 THR N N 20 114.054 114.054 117.758 -3.704 19833
1915 1 16 . 1 1 20 20 THR HA H 20 4.417 4.417 4.494 -0.077 19833
1916 1 16 . 1 1 20 20 THR CA C 20 61.883 61.883 61.935 -0.052 19833
1917 1 16 . 1 1 20 20 THR CB C 20 69.985 69.985 69.864 0.121 19833
1918 1 16 . 1 1 20 20 THR H H 20 8.093 8.093 8.248 -0.155 19833
1919 1 16 . 1 1 21 21 GLY N N 21 110.822 110.822 115.578 -4.756 19833
1920 1 16 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.150 0.190 19833
1921 1 16 . 1 1 21 21 GLY H H 21 8.360 8.360 8.444 -0.084 19833
1922 1 16 . 1 1 22 22 GLY N N 22 107.828 107.828 111.069 -3.241 19833
1923 1 16 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.187 -0.329 19833
1924 1 16 . 1 1 22 22 GLY H H 22 8.144 8.144 8.383 -0.239 19833
1925 1 16 . 1 1 23 23 TYR N N 23 119.305 119.305 121.313 -2.008 19833
1926 1 16 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.252 0.266 19833
1927 1 16 . 1 1 23 23 TYR H H 23 7.871 7.871 8.138 -0.267 19833
1928 1 16 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.409 -0.018 19833
1929 1 16 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.655 -0.007 19833
1930 1 16 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.262 -0.558 19833
1931 1 16 . 1 1 25 25 TRP N N 25 113.569 113.569 114.445 -0.876 19833
1932 1 16 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.790 -0.400 19833
1933 1 16 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.957 -0.328 19833
1934 1 16 . 1 1 25 25 TRP H H 25 6.927 6.927 7.020 -0.093 19833
1935 1 16 . 1 1 26 26 GLU N N 26 120.107 120.107 120.978 -0.871 19833
1936 1 16 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.562 -0.093 19833
1937 1 16 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.410 -0.533 19833
1938 1 16 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.552 0.389 19833
1939 1 16 . 1 1 26 26 GLU H H 26 7.657 7.657 7.499 0.158 19833
1940 1 16 . 1 1 27 27 ARG N N 27 120.913 120.913 119.011 1.902 19833
1941 1 16 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.528 -0.163 19833
1942 1 16 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.447 1.096 19833
1943 1 16 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.572 1.334 19833
1944 1 16 . 1 1 27 27 ARG H H 27 8.164 8.164 7.873 0.291 19833
1945 1 16 . 1 1 28 28 GLY N N 28 109.371 109.371 108.476 0.895 19833
1946 1 16 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.498 0.972 19833
1947 1 16 . 1 1 28 28 GLY H H 28 8.487 8.487 8.305 0.182 19833
1948 1 16 . 1 1 29 29 LYS N N 29 120.511 120.511 121.534 -1.023 19833
1949 1 16 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.679 -0.262 19833
1950 1 16 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.053 0.002 19833
1951 1 16 . 1 1 29 29 LYS CB C 29 33.128 33.128 34.279 -1.151 19833
1952 1 16 . 1 1 29 29 LYS H H 29 8.116 8.116 8.263 -0.147 19833
1953 1 17 . 1 1 2 2 LYS N N 2 124.507 124.507 121.533 2.974 19833
1954 1 17 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.538 -0.140 19833
1955 1 17 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.331 0.647 19833
1956 1 17 . 1 1 2 2 LYS CB C 2 33.120 33.120 33.081 0.039 19833
1957 1 17 . 1 1 2 2 LYS H H 2 9.055 9.055 8.891 0.164 19833
1958 1 17 . 1 1 3 3 THR N N 3 116.151 116.151 112.397 3.754 19833
1959 1 17 . 1 1 3 3 THR HA H 3 4.228 4.228 4.502 -0.274 19833
1960 1 17 . 1 1 3 3 THR CA C 3 64.622 64.622 61.934 2.688 19833
1961 1 17 . 1 1 3 3 THR CB C 3 69.037 69.037 69.172 -0.135 19833
1962 1 17 . 1 1 3 3 THR H H 3 8.487 8.487 7.810 0.677 19833
1963 1 17 . 1 1 4 4 ILE N N 4 121.254 121.254 124.207 -2.953 19833
1964 1 17 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.041 0.079 19833
1965 1 17 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.755 1.050 19833
1966 1 17 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.653 0.479 19833
1967 1 17 . 1 1 4 4 ILE H H 4 8.561 8.561 8.180 0.381 19833
1968 1 17 . 1 1 5 5 LEU N N 5 119.718 119.718 119.504 0.214 19833
1969 1 17 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.053 0.145 19833
1970 1 17 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.646 -0.225 19833
1971 1 17 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.630 0.637 19833
1972 1 17 . 1 1 5 5 LEU H H 5 7.944 7.944 7.891 0.053 19833
1973 1 17 . 1 1 6 6 ARG N N 6 118.685 118.685 118.812 -0.127 19833
1974 1 17 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.088 0.055 19833
1975 1 17 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.240 0.625 19833
1976 1 17 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.334 0.527 19833
1977 1 17 . 1 1 6 6 ARG H H 6 8.013 8.013 7.777 0.236 19833
1978 1 17 . 1 1 7 7 PHE N N 7 118.774 118.774 121.159 -2.385 19833
1979 1 17 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.447 0.049 19833
1980 1 17 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.721 -0.384 19833
1981 1 17 . 1 1 7 7 PHE H H 7 7.950 7.950 7.811 0.139 19833
1982 1 17 . 1 1 8 8 VAL N N 8 116.545 116.545 119.008 -2.463 19833
1983 1 17 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.212 0.694 19833
1984 1 17 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.189 -1.074 19833
1985 1 17 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.289 0.784 19833
1986 1 17 . 1 1 8 8 VAL H H 8 8.014 8.014 8.788 -0.774 19833
1987 1 17 . 1 1 9 9 ALA N N 9 121.564 121.564 122.679 -1.115 19833
1988 1 17 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.979 0.262 19833
1989 1 17 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.508 -0.870 19833
1990 1 17 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.930 0.717 19833
1991 1 17 . 1 1 9 9 ALA H H 9 8.087 8.087 7.940 0.147 19833
1992 1 17 . 1 1 10 10 GLY N N 10 104.760 104.760 105.357 -0.597 19833
1993 1 17 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.486 -1.072 19833
1994 1 17 . 1 1 10 10 GLY H H 10 8.143 8.143 7.840 0.303 19833
1995 1 17 . 1 1 11 11 TYR N N 11 121.166 121.166 122.691 -1.525 19833
1996 1 17 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.184 0.151 19833
1997 1 17 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.642 -0.510 19833
1998 1 17 . 1 1 11 11 TYR H H 11 8.010 8.010 7.548 0.462 19833
1999 1 17 . 1 1 12 12 ASP N N 12 119.461 119.461 120.233 -0.772 19833
2000 1 17 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.468 0.156 19833
2001 1 17 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.182 -0.676 19833
2002 1 17 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.620 -2.381 19833
2003 1 17 . 1 1 12 12 ASP H H 12 8.416 8.416 8.569 -0.153 19833
2004 1 17 . 1 1 13 13 ILE N N 13 120.538 120.538 119.754 0.784 19833
2005 1 17 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.851 0.151 19833
2006 1 17 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.481 -1.153 19833
2007 1 17 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.260 0.352 19833
2008 1 17 . 1 1 13 13 ILE H H 13 8.155 8.155 7.201 0.954 19833
2009 1 17 . 1 1 14 14 ALA N N 14 123.708 123.708 122.107 1.601 19833
2010 1 17 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.905 0.344 19833
2011 1 17 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.334 -1.414 19833
2012 1 17 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.799 1.187 19833
2013 1 17 . 1 1 14 14 ALA H H 14 8.276 8.276 8.294 -0.018 19833
2014 1 17 . 1 1 15 15 SER N N 15 112.747 112.747 112.415 0.332 19833
2015 1 17 . 1 1 15 15 SER HA H 15 4.306 4.306 3.972 0.334 19833
2016 1 17 . 1 1 15 15 SER CA C 15 59.618 59.618 60.676 -1.058 19833
2017 1 17 . 1 1 15 15 SER CB C 15 63.522 63.522 63.024 0.498 19833
2018 1 17 . 1 1 15 15 SER H H 15 8.068 8.068 8.020 0.048 19833
2019 1 17 . 1 1 16 16 HIS N N 16 119.224 119.224 119.885 -0.661 19833
2020 1 17 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.467 0.240 19833
2021 1 17 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.182 -1.494 19833
2022 1 17 . 1 1 16 16 HIS H H 16 8.161 8.161 7.586 0.575 19833
2023 1 17 . 1 1 17 17 LYS N N 17 120.978 120.978 119.235 1.743 19833
2024 1 17 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.231 0.111 19833
2025 1 17 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.545 -1.677 19833
2026 1 17 . 1 1 17 17 LYS H H 17 8.083 8.083 8.009 0.074 19833
2027 1 17 . 1 1 18 18 LYS N N 18 121.764 121.764 117.950 3.814 19833
2028 1 17 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.191 0.154 19833
2029 1 17 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.920 -0.253 19833
2030 1 17 . 1 1 18 18 LYS H H 18 8.235 8.235 7.738 0.497 19833
2031 1 17 . 1 1 19 19 LYS N N 19 122.420 122.420 119.313 3.107 19833
2032 1 17 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.001 0.414 19833
2033 1 17 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.956 -0.209 19833
2034 1 17 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.941 2.506 19833
2035 1 17 . 1 1 19 19 LYS H H 19 8.397 8.397 8.015 0.382 19833
2036 1 17 . 1 1 20 20 THR N N 20 114.054 114.054 116.244 -2.190 19833
2037 1 17 . 1 1 20 20 THR HA H 20 4.417 4.417 4.351 0.066 19833
2038 1 17 . 1 1 20 20 THR CA C 20 61.883 61.883 61.918 -0.035 19833
2039 1 17 . 1 1 20 20 THR CB C 20 69.985 69.985 69.841 0.144 19833
2040 1 17 . 1 1 20 20 THR H H 20 8.093 8.093 8.046 0.047 19833
2041 1 17 . 1 1 21 21 GLY N N 21 110.822 110.822 113.331 -2.509 19833
2042 1 17 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.866 -0.526 19833
2043 1 17 . 1 1 21 21 GLY H H 21 8.360 8.360 8.437 -0.077 19833
2044 1 17 . 1 1 22 22 GLY N N 22 107.828 107.828 111.521 -3.693 19833
2045 1 17 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.674 -0.816 19833
2046 1 17 . 1 1 22 22 GLY H H 22 8.144 8.144 7.688 0.456 19833
2047 1 17 . 1 1 23 23 TYR N N 23 119.305 119.305 125.616 -6.311 19833
2048 1 17 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.110 0.408 19833
2049 1 17 . 1 1 23 23 TYR H H 23 7.871 7.871 8.142 -0.271 19833
2050 1 17 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.391 -0.000 19833
2051 1 17 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.596 0.052 19833
2052 1 17 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.250 -0.546 19833
2053 1 17 . 1 1 25 25 TRP N N 25 113.569 113.569 115.679 -2.110 19833
2054 1 17 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.875 -0.485 19833
2055 1 17 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.087 -0.458 19833
2056 1 17 . 1 1 25 25 TRP H H 25 6.927 6.927 7.138 -0.211 19833
2057 1 17 . 1 1 26 26 GLU N N 26 120.107 120.107 121.091 -0.984 19833
2058 1 17 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.496 -0.027 19833
2059 1 17 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.971 -0.093 19833
2060 1 17 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.323 0.618 19833
2061 1 17 . 1 1 26 26 GLU H H 26 7.657 7.657 7.443 0.214 19833
2062 1 17 . 1 1 27 27 ARG N N 27 120.913 120.913 120.039 0.874 19833
2063 1 17 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.416 -0.051 19833
2064 1 17 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.244 0.299 19833
2065 1 17 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.897 1.009 19833
2066 1 17 . 1 1 27 27 ARG H H 27 8.164 8.164 8.448 -0.284 19833
2067 1 17 . 1 1 28 28 GLY N N 28 109.371 109.371 107.428 1.943 19833
2068 1 17 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.947 0.523 19833
2069 1 17 . 1 1 28 28 GLY H H 28 8.487 8.487 8.438 0.049 19833
2070 1 17 . 1 1 29 29 LYS N N 29 120.511 120.511 122.159 -1.648 19833
2071 1 17 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.670 -0.253 19833
2072 1 17 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.402 0.653 19833
2073 1 17 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.863 -0.735 19833
2074 1 17 . 1 1 29 29 LYS H H 29 8.116 8.116 8.210 -0.094 19833
2075 1 18 . 1 1 2 2 LYS N N 2 124.507 124.507 122.528 1.979 19833
2076 1 18 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.225 0.173 19833
2077 1 18 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.251 -0.273 19833
2078 1 18 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.623 0.497 19833
2079 1 18 . 1 1 2 2 LYS H H 2 9.055 9.055 8.583 0.472 19833
2080 1 18 . 1 1 3 3 THR N N 3 116.151 116.151 113.400 2.751 19833
2081 1 18 . 1 1 3 3 THR HA H 3 4.228 4.228 4.553 -0.325 19833
2082 1 18 . 1 1 3 3 THR CA C 3 64.622 64.622 60.370 4.252 19833
2083 1 18 . 1 1 3 3 THR CB C 3 69.037 69.037 68.639 0.398 19833
2084 1 18 . 1 1 3 3 THR H H 3 8.487 8.487 7.800 0.688 19833
2085 1 18 . 1 1 4 4 ILE N N 4 121.254 121.254 122.989 -1.735 19833
2086 1 18 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.033 0.087 19833
2087 1 18 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.808 0.997 19833
2088 1 18 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.884 0.248 19833
2089 1 18 . 1 1 4 4 ILE H H 4 8.561 8.561 7.538 1.023 19833
2090 1 18 . 1 1 5 5 LEU N N 5 119.718 119.718 119.182 0.536 19833
2091 1 18 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.991 0.207 19833
2092 1 18 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.928 -0.507 19833
2093 1 18 . 1 1 5 5 LEU CB C 5 41.267 41.267 41.035 0.232 19833
2094 1 18 . 1 1 5 5 LEU H H 5 7.944 7.944 8.024 -0.080 19833
2095 1 18 . 1 1 6 6 ARG N N 6 118.685 118.685 118.799 -0.114 19833
2096 1 18 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833
2097 1 18 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.215 0.650 19833
2098 1 18 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.310 0.551 19833
2099 1 18 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833
2100 1 18 . 1 1 7 7 PHE N N 7 118.774 118.774 121.167 -2.393 19833
2101 1 18 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833
2102 1 18 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.708 -0.371 19833
2103 1 18 . 1 1 7 7 PHE H H 7 7.950 7.950 7.825 0.125 19833
2104 1 18 . 1 1 8 8 VAL N N 8 116.545 116.545 118.928 -2.383 19833
2105 1 18 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833
2106 1 18 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.652 -0.537 19833
2107 1 18 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.409 1.664 19833
2108 1 18 . 1 1 8 8 VAL H H 8 8.014 8.014 8.739 -0.725 19833
2109 1 18 . 1 1 9 9 ALA N N 9 121.564 121.564 122.951 -1.387 19833
2110 1 18 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.977 0.264 19833
2111 1 18 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.459 -0.821 19833
2112 1 18 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.029 0.619 19833
2113 1 18 . 1 1 9 9 ALA H H 9 8.087 8.087 7.955 0.132 19833
2114 1 18 . 1 1 10 10 GLY N N 10 104.760 104.760 105.319 -0.559 19833
2115 1 18 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.467 -1.053 19833
2116 1 18 . 1 1 10 10 GLY H H 10 8.143 8.143 7.825 0.318 19833
2117 1 18 . 1 1 11 11 TYR N N 11 121.166 121.166 122.692 -1.526 19833
2118 1 18 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.175 0.160 19833
2119 1 18 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.605 -0.472 19833
2120 1 18 . 1 1 11 11 TYR H H 11 8.010 8.010 7.533 0.477 19833
2121 1 18 . 1 1 12 12 ASP N N 12 119.461 119.461 120.068 -0.607 19833
2122 1 18 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.440 0.184 19833
2123 1 18 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.062 -0.556 19833
2124 1 18 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.578 -2.339 19833
2125 1 18 . 1 1 12 12 ASP H H 12 8.416 8.416 8.609 -0.193 19833
2126 1 18 . 1 1 13 13 ILE N N 13 120.538 120.538 119.247 1.291 19833
2127 1 18 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.952 0.050 19833
2128 1 18 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.252 -0.924 19833
2129 1 18 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.413 0.199 19833
2130 1 18 . 1 1 13 13 ILE H H 13 8.155 8.155 7.192 0.963 19833
2131 1 18 . 1 1 14 14 ALA N N 14 123.708 123.708 122.481 1.227 19833
2132 1 18 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.947 0.302 19833
2133 1 18 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.339 -1.419 19833
2134 1 18 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.837 1.148 19833
2135 1 18 . 1 1 14 14 ALA H H 14 8.276 8.276 8.261 0.015 19833
2136 1 18 . 1 1 15 15 SER N N 15 112.747 112.747 112.640 0.107 19833
2137 1 18 . 1 1 15 15 SER HA H 15 4.306 4.306 4.004 0.302 19833
2138 1 18 . 1 1 15 15 SER CA C 15 59.618 59.618 60.759 -1.141 19833
2139 1 18 . 1 1 15 15 SER CB C 15 63.522 63.522 63.171 0.351 19833
2140 1 18 . 1 1 15 15 SER H H 15 8.068 8.068 8.079 -0.011 19833
2141 1 18 . 1 1 16 16 HIS N N 16 119.224 119.224 118.744 0.480 19833
2142 1 18 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.464 0.243 19833
2143 1 18 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.237 -1.549 19833
2144 1 18 . 1 1 16 16 HIS H H 16 8.161 8.161 7.734 0.427 19833
2145 1 18 . 1 1 17 17 LYS N N 17 120.978 120.978 119.230 1.748 19833
2146 1 18 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.123 0.219 19833
2147 1 18 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.634 -1.766 19833
2148 1 18 . 1 1 17 17 LYS H H 17 8.083 8.083 8.077 0.006 19833
2149 1 18 . 1 1 18 18 LYS N N 18 121.764 121.764 117.808 3.956 19833
2150 1 18 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.221 0.124 19833
2151 1 18 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.669 -0.001 19833
2152 1 18 . 1 1 18 18 LYS H H 18 8.235 8.235 7.863 0.372 19833
2153 1 18 . 1 1 19 19 LYS N N 19 122.420 122.420 120.373 2.047 19833
2154 1 18 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.041 0.374 19833
2155 1 18 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.157 -0.410 19833
2156 1 18 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.781 2.666 19833
2157 1 18 . 1 1 19 19 LYS H H 19 8.397 8.397 7.910 0.487 19833
2158 1 18 . 1 1 20 20 THR N N 20 114.054 114.054 117.429 -3.375 19833
2159 1 18 . 1 1 20 20 THR HA H 20 4.417 4.417 4.225 0.192 19833
2160 1 18 . 1 1 20 20 THR CA C 20 61.883 61.883 62.003 -0.120 19833
2161 1 18 . 1 1 20 20 THR CB C 20 69.985 69.985 69.773 0.212 19833
2162 1 18 . 1 1 20 20 THR H H 20 8.093 8.093 8.089 0.004 19833
2163 1 18 . 1 1 21 21 GLY N N 21 110.822 110.822 112.891 -2.069 19833
2164 1 18 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.324 0.016 19833
2165 1 18 . 1 1 21 21 GLY H H 21 8.360 8.360 8.166 0.194 19833
2166 1 18 . 1 1 22 22 GLY N N 22 107.828 107.828 112.289 -4.461 19833
2167 1 18 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.865 -0.007 19833
2168 1 18 . 1 1 22 22 GLY H H 22 8.144 8.144 8.080 0.064 19833
2169 1 18 . 1 1 23 23 TYR N N 23 119.305 119.305 124.715 -5.410 19833
2170 1 18 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.149 0.369 19833
2171 1 18 . 1 1 23 23 TYR H H 23 7.871 7.871 8.269 -0.398 19833
2172 1 18 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.432 -0.041 19833
2173 1 18 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.558 0.090 19833
2174 1 18 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.436 -0.732 19833
2175 1 18 . 1 1 25 25 TRP N N 25 113.569 113.569 115.573 -2.004 19833
2176 1 18 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.982 -0.592 19833
2177 1 18 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.445 -0.816 19833
2178 1 18 . 1 1 25 25 TRP H H 25 6.927 6.927 7.381 -0.454 19833
2179 1 18 . 1 1 26 26 GLU N N 26 120.107 120.107 120.957 -0.850 19833
2180 1 18 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.521 -0.052 19833
2181 1 18 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.677 0.201 19833
2182 1 18 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.987 0.954 19833
2183 1 18 . 1 1 26 26 GLU H H 26 7.657 7.657 7.577 0.080 19833
2184 1 18 . 1 1 27 27 ARG N N 27 120.913 120.913 119.522 1.391 19833
2185 1 18 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.439 -0.074 19833
2186 1 18 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.128 0.415 19833
2187 1 18 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.101 0.805 19833
2188 1 18 . 1 1 27 27 ARG H H 27 8.164 8.164 7.472 0.692 19833
2189 1 18 . 1 1 28 28 GLY N N 28 109.371 109.371 107.682 1.689 19833
2190 1 18 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.726 0.744 19833
2191 1 18 . 1 1 28 28 GLY H H 28 8.487 8.487 8.418 0.069 19833
2192 1 18 . 1 1 29 29 LYS N N 29 120.511 120.511 120.908 -0.397 19833
2193 1 18 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.625 -0.208 19833
2194 1 18 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.122 -0.067 19833
2195 1 18 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.969 0.159 19833
2196 1 18 . 1 1 29 29 LYS H H 29 8.116 8.116 8.476 -0.360 19833
2197 1 19 . 1 1 2 2 LYS N N 2 124.507 124.507 121.604 2.903 19833
2198 1 19 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.217 0.181 19833
2199 1 19 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.499 -0.521 19833
2200 1 19 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.519 0.601 19833
2201 1 19 . 1 1 2 2 LYS H H 2 9.055 9.055 8.375 0.680 19833
2202 1 19 . 1 1 3 3 THR N N 3 116.151 116.151 114.416 1.735 19833
2203 1 19 . 1 1 3 3 THR HA H 3 4.228 4.228 4.452 -0.224 19833
2204 1 19 . 1 1 3 3 THR CA C 3 64.622 64.622 60.409 4.213 19833
2205 1 19 . 1 1 3 3 THR CB C 3 69.037 69.037 67.829 1.208 19833
2206 1 19 . 1 1 3 3 THR H H 3 8.487 8.487 7.999 0.488 19833
2207 1 19 . 1 1 4 4 ILE N N 4 121.254 121.254 123.307 -2.053 19833
2208 1 19 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.059 0.061 19833
2209 1 19 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.634 1.171 19833
2210 1 19 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.809 0.323 19833
2211 1 19 . 1 1 4 4 ILE H H 4 8.561 8.561 7.642 0.919 19833
2212 1 19 . 1 1 5 5 LEU N N 5 119.718 119.718 119.653 0.065 19833
2213 1 19 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.958 0.240 19833
2214 1 19 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.113 -0.692 19833
2215 1 19 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.928 0.339 19833
2216 1 19 . 1 1 5 5 LEU H H 5 7.944 7.944 8.145 -0.201 19833
2217 1 19 . 1 1 6 6 ARG N N 6 118.685 118.685 118.831 -0.146 19833
2218 1 19 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.077 0.066 19833
2219 1 19 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.244 0.621 19833
2220 1 19 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.337 0.524 19833
2221 1 19 . 1 1 6 6 ARG H H 6 8.013 8.013 7.753 0.260 19833
2222 1 19 . 1 1 7 7 PHE N N 7 118.774 118.774 121.160 -2.386 19833
2223 1 19 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.479 0.017 19833
2224 1 19 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.705 -0.368 19833
2225 1 19 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833
2226 1 19 . 1 1 8 8 VAL N N 8 116.545 116.545 118.924 -2.379 19833
2227 1 19 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833
2228 1 19 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.636 -0.521 19833
2229 1 19 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.410 1.663 19833
2230 1 19 . 1 1 8 8 VAL H H 8 8.014 8.014 8.740 -0.726 19833
2231 1 19 . 1 1 9 9 ALA N N 9 121.564 121.564 122.482 -0.918 19833
2232 1 19 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.997 0.244 19833
2233 1 19 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.628 -0.990 19833
2234 1 19 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.070 0.577 19833
2235 1 19 . 1 1 9 9 ALA H H 9 8.087 8.087 7.922 0.165 19833
2236 1 19 . 1 1 10 10 GLY N N 10 104.760 104.760 105.307 -0.547 19833
2237 1 19 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833
2238 1 19 . 1 1 10 10 GLY H H 10 8.143 8.143 7.831 0.312 19833
2239 1 19 . 1 1 11 11 TYR N N 11 121.166 121.166 122.622 -1.456 19833
2240 1 19 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.139 0.196 19833
2241 1 19 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.658 -0.526 19833
2242 1 19 . 1 1 11 11 TYR H H 11 8.010 8.010 7.551 0.459 19833
2243 1 19 . 1 1 12 12 ASP N N 12 119.461 119.461 119.890 -0.429 19833
2244 1 19 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.408 0.216 19833
2245 1 19 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.133 -0.627 19833
2246 1 19 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.768 -2.529 19833
2247 1 19 . 1 1 12 12 ASP H H 12 8.416 8.416 8.574 -0.158 19833
2248 1 19 . 1 1 13 13 ILE N N 13 120.538 120.538 120.154 0.384 19833
2249 1 19 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.830 0.172 19833
2250 1 19 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.469 -1.141 19833
2251 1 19 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.333 0.279 19833
2252 1 19 . 1 1 13 13 ILE H H 13 8.155 8.155 7.177 0.978 19833
2253 1 19 . 1 1 14 14 ALA N N 14 123.708 123.708 122.463 1.245 19833
2254 1 19 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.970 0.279 19833
2255 1 19 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.475 -1.555 19833
2256 1 19 . 1 1 14 14 ALA CB C 14 18.985 18.985 18.040 0.945 19833
2257 1 19 . 1 1 14 14 ALA H H 14 8.276 8.276 8.361 -0.085 19833
2258 1 19 . 1 1 15 15 SER N N 15 112.747 112.747 113.334 -0.587 19833
2259 1 19 . 1 1 15 15 SER HA H 15 4.306 4.306 4.073 0.233 19833
2260 1 19 . 1 1 15 15 SER CA C 15 59.618 59.618 61.525 -1.907 19833
2261 1 19 . 1 1 15 15 SER CB C 15 63.522 63.522 62.834 0.688 19833
2262 1 19 . 1 1 15 15 SER H H 15 8.068 8.068 8.140 -0.072 19833
2263 1 19 . 1 1 16 16 HIS N N 16 119.224 119.224 120.732 -1.508 19833
2264 1 19 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.483 0.224 19833
2265 1 19 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.013 -1.325 19833
2266 1 19 . 1 1 16 16 HIS H H 16 8.161 8.161 7.560 0.601 19833
2267 1 19 . 1 1 17 17 LYS N N 17 120.978 120.978 118.512 2.466 19833
2268 1 19 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.206 0.136 19833
2269 1 19 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.145 -1.277 19833
2270 1 19 . 1 1 17 17 LYS H H 17 8.083 8.083 8.136 -0.053 19833
2271 1 19 . 1 1 18 18 LYS N N 18 121.764 121.764 116.827 4.937 19833
2272 1 19 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.262 0.083 19833
2273 1 19 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.754 -0.087 19833
2274 1 19 . 1 1 18 18 LYS H H 18 8.235 8.235 7.805 0.430 19833
2275 1 19 . 1 1 19 19 LYS N N 19 122.420 122.420 119.497 2.923 19833
2276 1 19 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.081 0.334 19833
2277 1 19 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.925 -0.178 19833
2278 1 19 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.437 2.010 19833
2279 1 19 . 1 1 19 19 LYS H H 19 8.397 8.397 7.822 0.575 19833
2280 1 19 . 1 1 20 20 THR N N 20 114.054 114.054 117.345 -3.291 19833
2281 1 19 . 1 1 20 20 THR HA H 20 4.417 4.417 4.507 -0.090 19833
2282 1 19 . 1 1 20 20 THR CA C 20 61.883 61.883 61.610 0.273 19833
2283 1 19 . 1 1 20 20 THR CB C 20 69.985 69.985 70.322 -0.337 19833
2284 1 19 . 1 1 20 20 THR H H 20 8.093 8.093 8.094 -0.001 19833
2285 1 19 . 1 1 21 21 GLY N N 21 110.822 110.822 113.741 -2.919 19833
2286 1 19 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.837 0.503 19833
2287 1 19 . 1 1 21 21 GLY H H 21 8.360 8.360 8.317 0.043 19833
2288 1 19 . 1 1 22 22 GLY N N 22 107.828 107.828 109.157 -1.329 19833
2289 1 19 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.921 -0.063 19833
2290 1 19 . 1 1 22 22 GLY H H 22 8.144 8.144 8.295 -0.151 19833
2291 1 19 . 1 1 23 23 TYR N N 23 119.305 119.305 119.912 -0.607 19833
2292 1 19 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.192 0.326 19833
2293 1 19 . 1 1 23 23 TYR H H 23 7.871 7.871 8.007 -0.136 19833
2294 1 19 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.385 0.006 19833
2295 1 19 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.732 -0.084 19833
2296 1 19 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.259 -0.555 19833
2297 1 19 . 1 1 25 25 TRP N N 25 113.569 113.569 116.699 -3.130 19833
2298 1 19 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.942 -0.552 19833
2299 1 19 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.930 -0.301 19833
2300 1 19 . 1 1 25 25 TRP H H 25 6.927 6.927 7.270 -0.343 19833
2301 1 19 . 1 1 26 26 GLU N N 26 120.107 120.107 120.757 -0.650 19833
2302 1 19 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.521 -0.052 19833
2303 1 19 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.583 -0.705 19833
2304 1 19 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.547 0.394 19833
2305 1 19 . 1 1 26 26 GLU H H 26 7.657 7.657 7.571 0.086 19833
2306 1 19 . 1 1 27 27 ARG N N 27 120.913 120.913 117.576 3.337 19833
2307 1 19 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.548 -0.183 19833
2308 1 19 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.628 0.915 19833
2309 1 19 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.474 1.432 19833
2310 1 19 . 1 1 27 27 ARG H H 27 8.164 8.164 7.695 0.469 19833
2311 1 19 . 1 1 28 28 GLY N N 28 109.371 109.371 108.910 0.461 19833
2312 1 19 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.501 0.969 19833
2313 1 19 . 1 1 28 28 GLY H H 28 8.487 8.487 8.170 0.317 19833
2314 1 19 . 1 1 29 29 LYS N N 29 120.511 120.511 118.812 1.699 19833
2315 1 19 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.006 0.411 19833
2316 1 19 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.576 -0.521 19833
2317 1 19 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.548 2.580 19833
2318 1 19 . 1 1 29 29 LYS H H 29 8.116 8.116 8.224 -0.108 19833
2319 1 20 . 1 1 2 2 LYS N N 2 124.507 124.507 122.736 1.771 19833
2320 1 20 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.339 0.059 19833
2321 1 20 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.604 0.374 19833
2322 1 20 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.824 0.296 19833
2323 1 20 . 1 1 2 2 LYS H H 2 9.055 9.055 8.509 0.546 19833
2324 1 20 . 1 1 3 3 THR N N 3 116.151 116.151 115.192 0.959 19833
2325 1 20 . 1 1 3 3 THR HA H 3 4.228 4.228 4.511 -0.283 19833
2326 1 20 . 1 1 3 3 THR CA C 3 64.622 64.622 60.573 4.049 19833
2327 1 20 . 1 1 3 3 THR CB C 3 69.037 69.037 68.490 0.547 19833
2328 1 20 . 1 1 3 3 THR H H 3 8.487 8.487 7.918 0.569 19833
2329 1 20 . 1 1 4 4 ILE N N 4 121.254 121.254 122.994 -1.740 19833
2330 1 20 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.047 0.073 19833
2331 1 20 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.659 1.146 19833
2332 1 20 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.774 0.358 19833
2333 1 20 . 1 1 4 4 ILE H H 4 8.561 8.561 8.116 0.445 19833
2334 1 20 . 1 1 5 5 LEU N N 5 119.718 119.718 119.523 0.195 19833
2335 1 20 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.975 0.223 19833
2336 1 20 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.031 -0.610 19833
2337 1 20 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.980 0.287 19833
2338 1 20 . 1 1 5 5 LEU H H 5 7.944 7.944 8.129 -0.185 19833
2339 1 20 . 1 1 6 6 ARG N N 6 118.685 118.685 118.807 -0.122 19833
2340 1 20 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.085 0.058 19833
2341 1 20 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.228 0.637 19833
2342 1 20 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.319 0.542 19833
2343 1 20 . 1 1 6 6 ARG H H 6 8.013 8.013 7.778 0.235 19833
2344 1 20 . 1 1 7 7 PHE N N 7 118.774 118.774 121.097 -2.323 19833
2345 1 20 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.471 0.025 19833
2346 1 20 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.479 -0.142 19833
2347 1 20 . 1 1 7 7 PHE H H 7 7.950 7.950 7.815 0.135 19833
2348 1 20 . 1 1 8 8 VAL N N 8 116.545 116.545 119.414 -2.869 19833
2349 1 20 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.291 0.615 19833
2350 1 20 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.311 -1.196 19833
2351 1 20 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.890 1.183 19833
2352 1 20 . 1 1 8 8 VAL H H 8 8.014 8.014 8.695 -0.681 19833
2353 1 20 . 1 1 9 9 ALA N N 9 121.564 121.564 122.414 -0.850 19833
2354 1 20 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.991 0.250 19833
2355 1 20 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.722 -1.084 19833
2356 1 20 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.915 0.732 19833
2357 1 20 . 1 1 9 9 ALA H H 9 8.087 8.087 7.897 0.190 19833
2358 1 20 . 1 1 10 10 GLY N N 10 104.760 104.760 105.318 -0.558 19833
2359 1 20 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.476 -1.062 19833
2360 1 20 . 1 1 10 10 GLY H H 10 8.143 8.143 7.838 0.305 19833
2361 1 20 . 1 1 11 11 TYR N N 11 121.166 121.166 122.653 -1.487 19833
2362 1 20 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.154 0.181 19833
2363 1 20 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.636 -0.504 19833
2364 1 20 . 1 1 11 11 TYR H H 11 8.010 8.010 7.563 0.447 19833
2365 1 20 . 1 1 12 12 ASP N N 12 119.461 119.461 120.052 -0.591 19833
2366 1 20 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.457 0.167 19833
2367 1 20 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.508 -1.002 19833
2368 1 20 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.728 -2.489 19833
2369 1 20 . 1 1 12 12 ASP H H 12 8.416 8.416 8.611 -0.195 19833
2370 1 20 . 1 1 13 13 ILE N N 13 120.538 120.538 119.459 1.079 19833
2371 1 20 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.881 0.121 19833
2372 1 20 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.473 -1.145 19833
2373 1 20 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.373 0.239 19833
2374 1 20 . 1 1 13 13 ILE H H 13 8.155 8.155 7.190 0.965 19833
2375 1 20 . 1 1 14 14 ALA N N 14 123.708 123.708 122.403 1.305 19833
2376 1 20 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.935 0.314 19833
2377 1 20 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.348 -1.428 19833
2378 1 20 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.829 1.156 19833
2379 1 20 . 1 1 14 14 ALA H H 14 8.276 8.276 8.251 0.025 19833
2380 1 20 . 1 1 15 15 SER N N 15 112.747 112.747 112.617 0.130 19833
2381 1 20 . 1 1 15 15 SER HA H 15 4.306 4.306 4.030 0.276 19833
2382 1 20 . 1 1 15 15 SER CA C 15 59.618 59.618 60.815 -1.197 19833
2383 1 20 . 1 1 15 15 SER CB C 15 63.522 63.522 63.145 0.377 19833
2384 1 20 . 1 1 15 15 SER H H 15 8.068 8.068 8.065 0.003 19833
2385 1 20 . 1 1 16 16 HIS N N 16 119.224 119.224 120.063 -0.839 19833
2386 1 20 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.495 0.212 19833
2387 1 20 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.256 -1.567 19833
2388 1 20 . 1 1 16 16 HIS H H 16 8.161 8.161 7.655 0.506 19833
2389 1 20 . 1 1 17 17 LYS N N 17 120.978 120.978 119.298 1.680 19833
2390 1 20 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.101 0.241 19833
2391 1 20 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.607 -1.739 19833
2392 1 20 . 1 1 17 17 LYS H H 17 8.083 8.083 8.084 -0.001 19833
2393 1 20 . 1 1 18 18 LYS N N 18 121.764 121.764 117.563 4.201 19833
2394 1 20 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.191 0.154 19833
2395 1 20 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.000 -0.333 19833
2396 1 20 . 1 1 18 18 LYS H H 18 8.235 8.235 7.807 0.428 19833
2397 1 20 . 1 1 19 19 LYS N N 19 122.420 122.420 119.350 3.070 19833
2398 1 20 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.046 0.369 19833
2399 1 20 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.872 -0.125 19833
2400 1 20 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.001 2.446 19833
2401 1 20 . 1 1 19 19 LYS H H 19 8.397 8.397 7.995 0.402 19833
2402 1 20 . 1 1 20 20 THR N N 20 114.054 114.054 116.304 -2.250 19833
2403 1 20 . 1 1 20 20 THR HA H 20 4.417 4.417 4.484 -0.067 19833
2404 1 20 . 1 1 20 20 THR CA C 20 61.883 61.883 61.193 0.690 19833
2405 1 20 . 1 1 20 20 THR CB C 20 69.985 69.985 69.872 0.113 19833
2406 1 20 . 1 1 20 20 THR H H 20 8.093 8.093 8.090 0.003 19833
2407 1 20 . 1 1 21 21 GLY N N 21 110.822 110.822 113.976 -3.154 19833
2408 1 20 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.944 -0.605 19833
2409 1 20 . 1 1 21 21 GLY H H 21 8.360 8.360 8.423 -0.063 19833
2410 1 20 . 1 1 22 22 GLY N N 22 107.828 107.828 108.241 -0.413 19833
2411 1 20 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.136 -0.278 19833
2412 1 20 . 1 1 22 22 GLY H H 22 8.144 8.144 8.036 0.108 19833
2413 1 20 . 1 1 23 23 TYR N N 23 119.305 119.305 121.651 -2.346 19833
2414 1 20 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.258 0.260 19833
2415 1 20 . 1 1 23 23 TYR H H 23 7.871 7.871 8.038 -0.167 19833
2416 1 20 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.396 -0.005 19833
2417 1 20 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.476 0.172 19833
2418 1 20 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.351 -0.647 19833
2419 1 20 . 1 1 25 25 TRP N N 25 113.569 113.569 115.752 -2.183 19833
2420 1 20 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.983 -0.593 19833
2421 1 20 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.130 -0.501 19833
2422 1 20 . 1 1 25 25 TRP H H 25 6.927 6.927 7.268 -0.341 19833
2423 1 20 . 1 1 26 26 GLU N N 26 120.107 120.107 121.150 -1.043 19833
2424 1 20 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.524 -0.055 19833
2425 1 20 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.993 -0.115 19833
2426 1 20 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.747 0.194 19833
2427 1 20 . 1 1 26 26 GLU H H 26 7.657 7.657 7.423 0.234 19833
2428 1 20 . 1 1 27 27 ARG N N 27 120.913 120.913 117.880 3.033 19833
2429 1 20 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.597 -0.232 19833
2430 1 20 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.627 0.916 19833
2431 1 20 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.798 1.108 19833
2432 1 20 . 1 1 27 27 ARG H H 27 8.164 8.164 7.363 0.801 19833
2433 1 20 . 1 1 28 28 GLY N N 28 109.371 109.371 110.013 -0.642 19833
2434 1 20 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.801 -0.331 19833
2435 1 20 . 1 1 28 28 GLY H H 28 8.487 8.487 8.289 0.198 19833
2436 1 20 . 1 1 29 29 LYS N N 29 120.511 120.511 119.938 0.573 19833
2437 1 20 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.504 -0.087 19833
2438 1 20 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.596 -0.541 19833
2439 1 20 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.746 0.382 19833
2440 1 20 . 1 1 29 29 LYS H H 29 8.116 8.116 8.480 -0.364 19833
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 27 2.334 0.330 2.355 19833
2 1 1 "Average Difference" HA 32 0.289 -0.168 0.239 19833
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19833
4 1 1 "Average Difference" CA 24 1.111 0.091 1.131 19833
5 1 1 "Average Difference" CB 20 1.193 -0.375 1.162 19833
6 1 1 "Average Difference" HN 27 0.432 -0.188 0.397 19833
7 1 2 "Average Difference" N 27 2.283 0.386 2.294 19833
8 1 2 "Average Difference" HA 32 0.234 -0.103 0.213 19833
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19833
10 1 2 "Average Difference" CA 24 0.984 0.123 0.997 19833
11 1 2 "Average Difference" CB 20 1.056 -0.218 1.060 19833
12 1 2 "Average Difference" HN 27 0.374 -0.148 0.350 19833
13 1 3 "Average Difference" N 27 2.187 0.156 2.223 19833
14 1 3 "Average Difference" HA 32 0.266 -0.132 0.235 19833
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19833
16 1 3 "Average Difference" CA 24 1.208 0.041 1.233 19833
17 1 3 "Average Difference" CB 20 1.199 -0.356 1.175 19833
18 1 3 "Average Difference" HN 27 0.428 -0.194 0.389 19833
19 1 4 "Average Difference" N 27 1.974 0.242 1.996 19833
20 1 4 "Average Difference" HA 32 0.244 -0.083 0.233 19833
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19833
22 1 4 "Average Difference" CA 24 1.196 0.135 1.213 19833
23 1 4 "Average Difference" CB 20 1.030 -0.199 1.037 19833
24 1 4 "Average Difference" HN 27 0.413 -0.160 0.388 19833
25 1 5 "Average Difference" N 27 2.130 -0.040 2.170 19833
26 1 5 "Average Difference" HA 32 0.246 -0.146 0.201 19833
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19833
28 1 5 "Average Difference" CA 24 1.235 0.081 1.259 19833
29 1 5 "Average Difference" CB 20 1.081 -0.261 1.076 19833
30 1 5 "Average Difference" HN 27 0.430 -0.190 0.393 19833
31 1 6 "Average Difference" N 27 1.967 0.144 1.999 19833
32 1 6 "Average Difference" HA 32 0.256 -0.128 0.225 19833
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19833
34 1 6 "Average Difference" CA 24 1.191 0.115 1.210 19833
35 1 6 "Average Difference" CB 20 1.194 -0.382 1.160 19833
36 1 6 "Average Difference" HN 27 0.403 -0.183 0.366 19833
37 1 7 "Average Difference" N 27 2.243 0.389 2.251 19833
38 1 7 "Average Difference" HA 32 0.303 -0.194 0.236 19833
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19833
40 1 7 "Average Difference" CA 24 1.286 0.192 1.299 19833
41 1 7 "Average Difference" CB 20 1.101 -0.280 1.093 19833
42 1 7 "Average Difference" HN 27 0.396 -0.150 0.374 19833
43 1 8 "Average Difference" N 27 2.117 0.287 2.137 19833
44 1 8 "Average Difference" HA 32 0.255 -0.123 0.226 19833
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19833
46 1 8 "Average Difference" CA 24 1.159 0.179 1.169 19833
47 1 8 "Average Difference" CB 20 1.074 -0.205 1.082 19833
48 1 8 "Average Difference" HN 27 0.404 -0.128 0.391 19833
49 1 9 "Average Difference" N 27 2.407 0.424 2.415 19833
50 1 9 "Average Difference" HA 32 0.251 -0.110 0.229 19833
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19833
52 1 9 "Average Difference" CA 24 1.103 0.109 1.121 19833
53 1 9 "Average Difference" CB 20 1.020 -0.244 1.016 19833
54 1 9 "Average Difference" HN 27 0.412 -0.180 0.378 19833
55 1 10 "Average Difference" N 27 1.890 0.176 1.918 19833
56 1 10 "Average Difference" HA 32 0.242 -0.122 0.212 19833
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19833
58 1 10 "Average Difference" CA 24 1.198 0.122 1.217 19833
59 1 10 "Average Difference" CB 20 1.095 -0.221 1.100 19833
60 1 10 "Average Difference" HN 27 0.443 -0.212 0.397 19833
61 1 11 "Average Difference" N 27 2.164 0.680 2.093 19833
62 1 11 "Average Difference" HA 32 0.244 -0.123 0.214 19833
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19833
64 1 11 "Average Difference" CA 24 1.154 0.283 1.143 19833
65 1 11 "Average Difference" CB 20 1.165 -0.352 1.139 19833
66 1 11 "Average Difference" HN 27 0.398 -0.157 0.373 19833
67 1 12 "Average Difference" N 27 1.988 0.390 1.986 19833
68 1 12 "Average Difference" HA 32 0.282 -0.171 0.227 19833
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19833
70 1 12 "Average Difference" CA 24 1.167 0.107 1.187 19833
71 1 12 "Average Difference" CB 20 1.067 -0.176 1.080 19833
72 1 12 "Average Difference" HN 27 0.405 -0.174 0.372 19833
73 1 13 "Average Difference" N 27 2.014 0.364 2.019 19833
74 1 13 "Average Difference" HA 32 0.239 -0.127 0.206 19833
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19833
76 1 13 "Average Difference" CA 24 1.163 0.128 1.181 19833
77 1 13 "Average Difference" CB 20 1.078 -0.298 1.063 19833
78 1 13 "Average Difference" HN 27 0.397 -0.170 0.365 19833
79 1 14 "Average Difference" N 27 2.247 0.295 2.270 19833
80 1 14 "Average Difference" HA 32 0.240 -0.085 0.228 19833
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19833
82 1 14 "Average Difference" CA 24 1.014 0.127 1.028 19833
83 1 14 "Average Difference" CB 20 1.097 -0.235 1.100 19833
84 1 14 "Average Difference" HN 27 0.388 -0.142 0.368 19833
85 1 15 "Average Difference" N 27 2.360 0.673 2.305 19833
86 1 15 "Average Difference" HA 32 0.270 -0.168 0.215 19833
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19833
88 1 15 "Average Difference" CA 24 1.191 0.086 1.213 19833
89 1 15 "Average Difference" CB 20 1.084 -0.270 1.077 19833
90 1 15 "Average Difference" HN 27 0.390 -0.164 0.361 19833
91 1 16 "Average Difference" N 27 2.200 0.327 2.217 19833
92 1 16 "Average Difference" HA 32 0.246 -0.107 0.226 19833
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19833
94 1 16 "Average Difference" CA 24 1.242 0.165 1.258 19833
95 1 16 "Average Difference" CB 20 1.052 -0.185 1.062 19833
96 1 16 "Average Difference" HN 27 0.394 -0.149 0.372 19833
97 1 17 "Average Difference" N 27 2.405 0.404 2.416 19833
98 1 17 "Average Difference" HA 32 0.250 -0.120 0.223 19833
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19833
100 1 17 "Average Difference" CA 24 0.959 0.214 0.955 19833
101 1 17 "Average Difference" CB 20 1.016 -0.168 1.028 19833
102 1 17 "Average Difference" HN 27 0.374 -0.147 0.350 19833
103 1 18 "Average Difference" N 27 2.211 0.373 2.221 19833
104 1 18 "Average Difference" HA 32 0.282 -0.158 0.237 19833
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19833
106 1 18 "Average Difference" CA 24 1.131 0.113 1.149 19833
107 1 18 "Average Difference" CB 20 1.082 -0.245 1.081 19833
108 1 18 "Average Difference" HN 27 0.441 -0.171 0.414 19833
109 1 19 "Average Difference" N 27 2.106 0.081 2.144 19833
110 1 19 "Average Difference" HA 32 0.244 -0.118 0.217 19833
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19833
112 1 19 "Average Difference" CA 24 1.211 0.157 1.226 19833
113 1 19 "Average Difference" CB 20 1.195 -0.407 1.152 19833
114 1 19 "Average Difference" HN 27 0.426 -0.180 0.393 19833
115 1 20 "Average Difference" N 27 1.869 0.201 1.894 19833
116 1 20 "Average Difference" HA 32 0.237 -0.087 0.224 19833
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19833
118 1 20 "Average Difference" CA 24 1.186 0.221 1.190 19833
119 1 20 "Average Difference" CB 20 1.027 -0.231 1.027 19833
120 1 20 "Average Difference" HN 27 0.400 -0.168 0.370 19833
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 19833
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LYS N N 2 124.507 124.507 122.062 2.445 19833
2 1 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.344 0.054 19833
3 1 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.889 0.089 19833
4 1 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.735 0.385 19833
5 1 . 1 1 2 2 LYS H H 2 9.055 9.055 8.494 0.561 19833
6 1 . 1 1 3 3 THR N N 3 116.151 116.151 114.470 1.681 19833
7 1 . 1 1 3 3 THR HA H 3 4.228 4.228 4.504 -0.276 19833
8 1 . 1 1 3 3 THR CA C 3 64.622 64.622 60.680 3.942 19833
9 1 . 1 1 3 3 THR CB C 3 69.037 69.037 68.616 0.421 19833
10 1 . 1 1 3 3 THR H H 3 8.487 8.487 7.934 0.553 19833
11 1 . 1 1 4 4 ILE N N 4 121.254 121.254 123.334 -2.080 19833
12 1 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.036 0.084 19833
13 1 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.725 1.080 19833
14 1 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.856 0.276 19833
15 1 . 1 1 4 4 ILE H H 4 8.561 8.561 7.969 0.592 19833
16 1 . 1 1 5 5 LEU N N 5 119.718 119.718 119.523 0.195 19833
17 1 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.984 0.214 19833
18 1 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.987 -0.566 19833
19 1 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.916 0.351 19833
20 1 . 1 1 5 5 LEU H H 5 7.944 7.944 8.089 -0.145 19833
21 1 . 1 1 6 6 ARG N N 6 118.685 118.685 118.823 -0.138 19833
22 1 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833
23 1 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.229 0.636 19833
24 1 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.325 0.536 19833
25 1 . 1 1 6 6 ARG H H 6 8.013 8.013 7.771 0.242 19833
26 1 . 1 1 7 7 PHE N N 7 118.774 118.774 121.139 -2.365 19833
27 1 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.470 0.026 19833
28 1 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.652 -0.315 19833
29 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.819 0.131 19833
30 1 . 1 1 8 8 VAL N N 8 116.545 116.545 119.071 -2.526 19833
31 1 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.271 0.635 19833
32 1 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.949 -0.834 19833
33 1 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.751 1.322 19833
34 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833
35 1 . 1 1 9 9 ALA N N 9 121.564 121.564 122.500 -0.936 19833
36 1 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.999 0.242 19833
37 1 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.648 -1.010 19833
38 1 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.996 0.651 19833
39 1 . 1 1 9 9 ALA H H 9 8.087 8.087 7.922 0.165 19833
40 1 . 1 1 10 10 GLY N N 10 104.760 104.760 105.323 -0.563 19833
41 1 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833
42 1 . 1 1 10 10 GLY H H 10 8.143 8.143 7.839 0.304 19833
43 1 . 1 1 11 11 TYR N N 11 121.166 121.166 122.644 -1.478 19833
44 1 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.158 0.177 19833
45 1 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.639 -0.507 19833
46 1 . 1 1 11 11 TYR H H 11 8.010 8.010 7.553 0.457 19833
47 1 . 1 1 12 12 ASP N N 12 119.461 119.461 119.954 -0.493 19833
48 1 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833
49 1 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.342 -0.836 19833
50 1 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.745 -2.506 19833
51 1 . 1 1 12 12 ASP H H 12 8.416 8.416 8.588 -0.172 19833
52 1 . 1 1 13 13 ILE N N 13 120.538 120.538 119.439 1.099 19833
53 1 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.893 0.109 19833
54 1 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.432 -1.104 19833
55 1 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.352 0.260 19833
56 1 . 1 1 13 13 ILE H H 13 8.155 8.155 7.203 0.952 19833
57 1 . 1 1 14 14 ALA N N 14 123.708 123.708 122.265 1.443 19833
58 1 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.931 0.318 19833
59 1 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.369 -1.449 19833
60 1 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.870 1.115 19833
61 1 . 1 1 14 14 ALA H H 14 8.276 8.276 8.282 -0.006 19833
62 1 . 1 1 15 15 SER N N 15 112.747 112.747 112.569 0.178 19833
63 1 . 1 1 15 15 SER HA H 15 4.306 4.306 3.988 0.318 19833
64 1 . 1 1 15 15 SER CA C 15 59.618 59.618 61.010 -1.392 19833
65 1 . 1 1 15 15 SER CB C 15 63.522 63.522 63.106 0.416 19833
66 1 . 1 1 15 15 SER H H 15 8.068 8.068 8.087 -0.019 19833
67 1 . 1 1 16 16 HIS N N 16 119.224 119.224 120.180 -0.956 19833
68 1 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.453 0.254 19833
69 1 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.122 -1.434 19833
70 1 . 1 1 16 16 HIS H H 16 8.161 8.161 7.654 0.507 19833
71 1 . 1 1 17 17 LYS N N 17 120.978 120.978 118.800 2.178 19833
72 1 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.167 0.175 19833
73 1 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.363 -1.495 19833
74 1 . 1 1 17 17 LYS H H 17 8.083 8.083 8.034 0.049 19833
75 1 . 1 1 18 18 LYS N N 18 121.764 121.764 117.669 4.095 19833
76 1 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.206 0.139 19833
77 1 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.823 -0.156 19833
78 1 . 1 1 18 18 LYS H H 18 8.235 8.235 7.820 0.415 19833
79 1 . 1 1 19 19 LYS N N 19 122.420 122.420 119.565 2.855 19833
80 1 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.032 0.383 19833
81 1 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.049 -0.302 19833
82 1 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.941 2.505 19833
83 1 . 1 1 19 19 LYS H H 19 8.397 8.397 7.958 0.439 19833
84 1 . 1 1 20 20 THR N N 20 114.054 114.054 116.982 -2.928 19833
85 1 . 1 1 20 20 THR HA H 20 4.417 4.417 4.377 0.040 19833
86 1 . 1 1 20 20 THR CA C 20 61.883 61.883 61.446 0.437 19833
87 1 . 1 1 20 20 THR CB C 20 69.985 69.985 69.867 0.118 19833
88 1 . 1 1 20 20 THR H H 20 8.093 8.093 8.086 0.007 19833
89 1 . 1 1 21 21 GLY N N 21 110.822 110.822 112.641 -1.819 19833
90 1 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.181 0.159 19833
91 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.387 -0.027 19833
92 1 . 1 1 22 22 GLY N N 22 107.828 107.828 109.926 -2.098 19833
93 1 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.808 0.050 19833
94 1 . 1 1 22 22 GLY H H 22 8.144 8.144 7.943 0.201 19833
95 1 . 1 1 23 23 TYR N N 23 119.305 119.305 123.323 -4.018 19833
96 1 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.178 0.340 19833
97 1 . 1 1 23 23 TYR H H 23 7.871 7.871 8.136 -0.265 19833
98 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.396 -0.005 19833
99 1 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.586 0.062 19833
100 1 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.307 -0.603 19833
101 1 . 1 1 25 25 TRP N N 25 113.569 113.569 116.372 -2.803 19833
102 1 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.912 -0.522 19833
103 1 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.117 -0.488 19833
104 1 . 1 1 25 25 TRP H H 25 6.927 6.927 7.250 -0.324 19833
105 1 . 1 1 26 26 GLU N N 26 120.107 120.107 121.746 -1.639 19833
106 1 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.541 -0.072 19833
107 1 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.986 -0.108 19833
108 1 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.108 0.833 19833
109 1 . 1 1 26 26 GLU H H 26 7.657 7.657 7.535 0.122 19833
110 1 . 1 1 27 27 ARG N N 27 120.913 120.913 119.552 1.361 19833
111 1 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.488 -0.123 19833
112 1 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.759 0.784 19833
113 1 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.073 0.833 19833
114 1 . 1 1 27 27 ARG H H 27 8.164 8.164 7.642 0.522 19833
115 1 . 1 1 28 28 GLY N N 28 109.371 109.371 108.627 0.744 19833
116 1 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.006 0.464 19833
117 1 . 1 1 28 28 GLY H H 28 8.487 8.487 8.325 0.162 19833
118 1 . 1 1 29 29 LYS N N 29 120.511 120.511 120.425 0.086 19833
119 1 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.369 0.048 19833
120 1 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.285 -0.230 19833
121 1 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.497 0.631 19833
122 1 . 1 1 29 29 LYS H H 29 8.116 8.116 8.281 -0.165 19833
stop_
save_