data_17827
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17827
_Entry.PDB_ID 2LGX
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 17827
_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 9 9 ALA N N 2 124.336 124.336 123.694 0.642 17827
2 1 1 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.519 -0.309 17827
3 1 1 . 1 1 9 9 ALA C C 2 177.598 177.598 176.367 1.231 17827
4 1 1 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.721 0.719 17827
5 1 1 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.872 0.159 17827
6 1 1 . 1 1 9 9 ALA H H 2 8.018 8.018 8.403 -0.385 17827
7 1 1 . 1 1 10 10 LEU N N 3 121.125 121.125 120.981 0.144 17827
8 1 1 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.748 0.462 17827
9 1 1 . 1 1 10 10 LEU C C 3 177.094 177.094 176.598 0.496 17827
10 1 1 . 1 1 10 10 LEU CA C 3 55.320 55.320 57.129 -1.809 17827
11 1 1 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.738 0.432 17827
12 1 1 . 1 1 10 10 LEU H H 3 8.057 8.057 8.366 -0.309 17827
13 1 1 . 1 1 11 11 ASP N N 4 119.766 119.766 117.105 2.661 17827
14 1 1 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.576 -0.101 17827
15 1 1 . 1 1 11 11 ASP C C 4 176.509 176.509 177.593 -1.084 17827
16 1 1 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.542 0.008 17827
17 1 1 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.018 -0.068 17827
18 1 1 . 1 1 11 11 ASP H H 4 8.145 8.145 8.257 -0.112 17827
19 1 1 . 1 1 12 12 GLY N N 5 108.440 108.440 110.740 -2.300 17827
20 1 1 . 1 1 12 12 GLY C C 5 173.692 173.692 175.983 -2.291 17827
21 1 1 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.567 -1.257 17827
22 1 1 . 1 1 12 12 GLY H H 5 8.110 8.110 8.560 -0.450 17827
23 1 1 . 1 1 13 13 ILE N N 6 119.766 119.766 122.568 -2.802 17827
24 1 1 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.527 0.573 17827
25 1 1 . 1 1 13 13 ILE C C 6 175.525 175.525 177.063 -1.538 17827
26 1 1 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.696 -2.986 17827
27 1 1 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.454 0.976 17827
28 1 1 . 1 1 13 13 ILE H H 6 7.790 7.790 8.043 -0.253 17827
29 1 1 . 1 1 14 14 ARG N N 7 125.657 125.657 119.803 5.854 17827
30 1 1 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.231 -0.021 17827
31 1 1 . 1 1 14 14 ARG C C 7 175.810 175.810 176.268 -0.458 17827
32 1 1 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.435 -1.795 17827
33 1 1 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.729 0.261 17827
34 1 1 . 1 1 14 14 ARG H H 7 8.410 8.410 8.032 0.378 17827
35 1 1 . 1 1 15 15 MET N N 8 123.598 123.598 115.155 8.443 17827
36 1 1 . 1 1 15 15 MET HA H 8 4.210 4.210 4.989 -0.779 17827
37 1 1 . 1 1 15 15 MET C C 8 174.950 174.950 174.556 0.394 17827
38 1 1 . 1 1 15 15 MET CA C 8 55.330 55.330 53.281 2.049 17827
39 1 1 . 1 1 15 15 MET CB C 8 31.730 31.730 31.918 -0.188 17827
40 1 1 . 1 1 15 15 MET H H 8 8.495 8.495 7.774 0.721 17827
41 1 1 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.281 0.009 17827
42 1 1 . 1 1 16 16 PRO C C 9 176.228 176.228 176.508 -0.280 17827
43 1 1 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.881 -1.511 17827
44 1 1 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.976 0.844 17827
45 1 1 . 1 1 17 17 ASP N N 10 117.952 117.952 116.585 1.367 17827
46 1 1 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.605 -0.185 17827
47 1 1 . 1 1 17 17 ASP C C 10 176.714 176.714 176.509 0.205 17827
48 1 1 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.835 0.295 17827
49 1 1 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.693 -0.263 17827
50 1 1 . 1 1 17 17 ASP H H 10 8.076 8.076 7.967 0.109 17827
51 1 1 . 1 1 18 18 GLY N N 11 108.663 108.663 105.707 2.956 17827
52 1 1 . 1 1 18 18 GLY C C 11 173.819 173.819 174.195 -0.376 17827
53 1 1 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.232 0.068 17827
54 1 1 . 1 1 18 18 GLY H H 11 8.255 8.255 7.569 0.686 17827
55 1 1 . 1 1 19 19 CYS N N 12 118.179 118.179 118.915 -0.736 17827
56 1 1 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.297 0.253 17827
57 1 1 . 1 1 19 19 CYS C C 12 174.073 174.073 174.646 -0.573 17827
58 1 1 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.509 -3.089 17827
59 1 1 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.694 -0.294 17827
60 1 1 . 1 1 19 19 CYS H H 12 7.850 7.850 8.128 -0.278 17827
61 1 1 . 1 1 20 20 TYR N N 13 120.897 120.897 120.179 0.718 17827
62 1 1 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.418 0.132 17827
63 1 1 . 1 1 20 20 TYR C C 13 176.748 176.748 175.539 1.209 17827
64 1 1 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.452 0.018 17827
65 1 1 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.000 -0.790 17827
66 1 1 . 1 1 20 20 TYR H H 13 8.550 8.550 8.129 0.421 17827
67 1 1 . 1 1 21 21 ALA N N 14 124.750 124.750 124.330 0.420 17827
68 1 1 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.029 0.161 17827
69 1 1 . 1 1 21 21 ALA C C 14 177.181 177.181 177.596 -0.415 17827
70 1 1 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.478 0.052 17827
71 1 1 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.096 -0.466 17827
72 1 1 . 1 1 21 21 ALA H H 14 8.615 8.615 7.115 1.500 17827
73 1 1 . 1 1 22 22 ASP N N 15 117.500 117.500 119.234 -1.734 17827
74 1 1 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.586 -0.106 17827
75 1 1 . 1 1 22 22 ASP C C 15 176.708 176.708 177.445 -0.737 17827
76 1 1 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.352 -0.852 17827
77 1 1 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.965 -0.235 17827
78 1 1 . 1 1 22 22 ASP H H 15 7.960 7.960 8.400 -0.440 17827
79 1 1 . 1 1 23 23 GLY N N 16 108.891 108.891 106.471 2.420 17827
80 1 1 . 1 1 23 23 GLY C C 16 174.373 174.373 174.550 -0.177 17827
81 1 1 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.810 -1.440 17827
82 1 1 . 1 1 23 23 GLY H H 16 8.344 8.344 8.789 -0.445 17827
83 1 1 . 1 1 24 24 THR N N 17 110.929 110.929 111.288 -0.359 17827
84 1 1 . 1 1 24 24 THR HA H 17 4.640 4.640 4.444 0.196 17827
85 1 1 . 1 1 24 24 THR C C 17 173.620 173.620 172.328 1.292 17827
86 1 1 . 1 1 24 24 THR CA C 17 60.540 60.540 60.267 0.273 17827
87 1 1 . 1 1 24 24 THR CB C 17 72.100 72.100 69.300 2.800 17827
88 1 1 . 1 1 24 24 THR H H 17 7.850 7.850 7.438 0.412 17827
89 1 1 . 1 1 25 25 TRP N N 18 117.728 117.728 118.492 -0.764 17827
90 1 1 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.090 -0.145 17827
91 1 1 . 1 1 25 25 TRP C C 18 174.164 174.164 173.706 0.458 17827
92 1 1 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.597 -1.977 17827
93 1 1 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.961 0.689 17827
94 1 1 . 1 1 25 25 TRP H H 18 8.640 8.640 7.539 1.101 17827
95 1 1 . 1 1 26 26 GLU N N 19 117.728 117.728 118.613 -0.885 17827
96 1 1 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.839 0.012 17827
97 1 1 . 1 1 26 26 GLU C C 19 174.786 174.786 174.559 0.227 17827
98 1 1 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.776 0.934 17827
99 1 1 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.458 -0.958 17827
100 1 1 . 1 1 26 26 GLU H H 19 8.744 8.744 8.499 0.245 17827
101 1 1 . 1 1 27 27 LEU N N 20 126.668 126.668 119.298 7.370 17827
102 1 1 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.732 0.148 17827
103 1 1 . 1 1 27 27 LEU C C 20 175.123 175.123 175.302 -0.179 17827
104 1 1 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.478 -0.226 17827
105 1 1 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.672 -1.392 17827
106 1 1 . 1 1 27 27 LEU H H 20 8.980 8.980 8.780 0.200 17827
107 1 1 . 1 1 28 28 SER N N 21 121.804 121.804 116.840 4.964 17827
108 1 1 . 1 1 28 28 SER HA H 21 4.894 4.894 4.794 0.100 17827
109 1 1 . 1 1 28 28 SER C C 21 173.483 173.483 172.763 0.720 17827
110 1 1 . 1 1 28 28 SER CA C 21 57.880 57.880 57.062 0.818 17827
111 1 1 . 1 1 28 28 SER CB C 21 63.920 63.920 64.733 -0.813 17827
112 1 1 . 1 1 28 28 SER H H 21 8.785 8.785 8.485 0.300 17827
113 1 1 . 1 1 29 29 VAL N N 22 125.881 125.881 122.881 3.000 17827
114 1 1 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.377 -0.007 17827
115 1 1 . 1 1 29 29 VAL C C 22 173.953 173.953 174.798 -0.845 17827
116 1 1 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.988 0.452 17827
117 1 1 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.772 -1.422 17827
118 1 1 . 1 1 29 29 VAL H H 22 8.865 8.865 8.470 0.395 17827
119 1 1 . 1 1 30 30 HIS N N 23 126.560 126.560 123.793 2.767 17827
120 1 1 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.827 0.393 17827
121 1 1 . 1 1 30 30 HIS C C 23 174.596 174.596 173.935 0.661 17827
122 1 1 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.499 -0.249 17827
123 1 1 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.197 -2.647 17827
124 1 1 . 1 1 30 30 HIS H H 23 8.810 8.810 8.481 0.329 17827
125 1 1 . 1 1 31 31 VAL N N 24 130.587 130.587 128.548 2.039 17827
126 1 1 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.468 0.762 17827
127 1 1 . 1 1 31 31 VAL C C 24 177.426 177.426 175.508 1.918 17827
128 1 1 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.465 -6.935 17827
129 1 1 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.148 -0.108 17827
130 1 1 . 1 1 31 31 VAL H H 24 9.043 9.043 8.680 0.363 17827
131 1 1 . 1 1 32 32 THR N N 25 122.484 122.484 119.981 2.503 17827
132 1 1 . 1 1 32 32 THR HA H 25 3.970 3.970 4.323 -0.353 17827
133 1 1 . 1 1 32 32 THR C C 25 177.437 177.437 175.255 2.182 17827
134 1 1 . 1 1 32 32 THR CA C 25 66.470 66.470 62.102 4.368 17827
135 1 1 . 1 1 32 32 THR CB C 25 68.220 68.220 70.181 -1.961 17827
136 1 1 . 1 1 32 32 THR H H 25 8.245 8.245 8.591 -0.346 17827
137 1 1 . 1 1 34 34 VAL N N 27 114.090 114.090 117.826 -3.736 17827
138 1 1 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.090 0.410 17827
139 1 1 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.785 -8.565 17827
140 1 1 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.200 -6.140 17827
141 1 1 . 1 1 34 34 VAL H H 27 6.977 6.977 7.209 -0.232 17827
142 1 1 . 1 1 35 35 ASN N N 28 116.829 116.829 115.407 1.422 17827
143 1 1 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.406 -0.107 17827
144 1 1 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.167 -0.517 17827
145 1 1 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.026 -0.916 17827
146 1 1 . 1 1 35 35 ASN H H 28 7.897 7.897 8.381 -0.484 17827
147 1 1 . 1 1 36 36 ARG N N 29 114.310 114.310 116.959 -2.649 17827
148 1 1 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.690 0.010 17827
149 1 1 . 1 1 36 36 ARG C C 29 173.347 173.347 173.934 -0.587 17827
150 1 1 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.755 0.145 17827
151 1 1 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.362 2.338 17827
152 1 1 . 1 1 36 36 ARG H H 29 6.787 6.787 7.607 -0.820 17827
153 1 1 . 1 1 37 37 ASP N N 30 124.071 124.071 117.581 6.490 17827
154 1 1 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.772 0.703 17827
155 1 1 . 1 1 37 37 ASP C C 30 175.354 175.354 174.744 0.610 17827
156 1 1 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.354 0.306 17827
157 1 1 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.645 -0.385 17827
158 1 1 . 1 1 37 37 ASP H H 30 8.760 8.760 8.419 0.341 17827
159 1 1 . 1 1 38 38 VAL N N 31 123.300 123.300 118.045 5.255 17827
160 1 1 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.624 -0.354 17827
161 1 1 . 1 1 38 38 VAL C C 31 174.203 174.203 174.211 -0.008 17827
162 1 1 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.294 0.407 17827
163 1 1 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.195 -1.575 17827
164 1 1 . 1 1 38 38 VAL H H 31 9.187 9.187 7.920 1.267 17827
165 1 1 . 1 1 39 39 THR N N 32 119.766 119.766 113.234 6.532 17827
166 1 1 . 1 1 39 39 THR HA H 32 5.095 5.095 4.859 0.236 17827
167 1 1 . 1 1 39 39 THR C C 32 173.547 173.547 173.143 0.404 17827
168 1 1 . 1 1 39 39 THR CA C 32 60.550 60.550 60.478 0.072 17827
169 1 1 . 1 1 39 39 THR CB C 32 70.170 70.170 71.134 -0.964 17827
170 1 1 . 1 1 39 39 THR H H 32 8.360 8.360 8.159 0.201 17827
171 1 1 . 1 1 40 40 LEU N N 33 124.522 124.522 122.638 1.884 17827
172 1 1 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.631 -0.041 17827
173 1 1 . 1 1 40 40 LEU C C 33 174.691 174.691 175.976 -1.285 17827
174 1 1 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.819 -1.239 17827
175 1 1 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.363 1.047 17827
176 1 1 . 1 1 40 40 LEU H H 33 8.750 8.750 8.152 0.598 17827
177 1 1 . 1 1 41 41 ARG N N 34 122.712 122.712 124.720 -2.008 17827
178 1 1 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.677 0.003 17827
179 1 1 . 1 1 41 41 ARG C C 34 175.700 175.700 174.359 1.341 17827
180 1 1 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.145 0.275 17827
181 1 1 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.428 0.072 17827
182 1 1 . 1 1 41 41 ARG H H 34 8.345 8.345 8.713 -0.368 17827
183 1 1 . 1 1 42 42 VAL N N 35 117.728 117.728 117.666 0.062 17827
184 1 1 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.483 -0.018 17827
185 1 1 . 1 1 42 42 VAL C C 35 173.184 173.184 173.747 -0.563 17827
186 1 1 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.295 -0.625 17827
187 1 1 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.390 0.660 17827
188 1 1 . 1 1 42 42 VAL H H 35 8.640 8.640 7.747 0.893 17827
189 1 1 . 1 1 43 43 THR N N 36 104.359 104.359 108.735 -4.376 17827
190 1 1 . 1 1 43 43 THR HA H 36 4.660 4.660 2.441 2.219 17827
191 1 1 . 1 1 43 43 THR C C 36 174.862 174.862 175.285 -0.423 17827
192 1 1 . 1 1 43 43 THR CA C 36 59.010 59.010 59.130 -0.120 17827
193 1 1 . 1 1 43 43 THR CB C 36 71.570 71.570 70.948 0.622 17827
194 1 1 . 1 1 43 43 THR H H 36 6.220 6.220 7.800 -1.580 17827
195 1 1 . 1 1 44 44 GLY N N 37 105.946 105.946 106.370 -0.424 17827
196 1 1 . 1 1 44 44 GLY C C 37 173.394 173.394 174.413 -1.019 17827
197 1 1 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.839 -0.009 17827
198 1 1 . 1 1 44 44 GLY H H 37 9.160 9.160 8.239 0.921 17827
199 1 1 . 1 1 45 45 GLU N N 38 113.875 113.875 117.243 -3.368 17827
200 1 1 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.208 0.082 17827
201 1 1 . 1 1 45 45 GLU C C 38 176.167 176.167 176.491 -0.324 17827
202 1 1 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.851 -0.351 17827
203 1 1 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.890 1.060 17827
204 1 1 . 1 1 45 45 GLU H H 38 7.500 7.500 7.196 0.304 17827
205 1 1 . 1 1 46 46 VAL N N 39 121.577 121.577 122.324 -0.747 17827
206 1 1 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.846 -0.026 17827
207 1 1 . 1 1 46 46 VAL C C 39 174.651 174.651 175.182 -0.531 17827
208 1 1 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.328 1.592 17827
209 1 1 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.782 -1.192 17827
210 1 1 . 1 1 46 46 VAL H H 39 7.260 7.260 7.646 -0.386 17827
211 1 1 . 1 1 47 47 HIS N N 40 123.391 123.391 126.857 -3.466 17827
212 1 1 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.569 0.643 17827
213 1 1 . 1 1 47 47 HIS C C 40 177.440 177.440 176.415 1.025 17827
214 1 1 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.146 -1.486 17827
215 1 1 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.521 0.389 17827
216 1 1 . 1 1 47 47 HIS H H 40 8.285 8.285 8.315 -0.030 17827
217 1 1 . 1 1 48 48 ILE N N 41 124.071 124.071 124.369 -0.298 17827
218 1 1 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.798 -0.268 17827
219 1 1 . 1 1 48 48 ILE C C 41 178.941 178.941 177.707 1.234 17827
220 1 1 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.400 -3.070 17827
221 1 1 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.959 -3.729 17827
222 1 1 . 1 1 48 48 ILE H H 41 8.863 8.863 8.618 0.245 17827
223 1 1 . 1 1 49 49 GLY N N 42 106.853 106.853 104.287 2.566 17827
224 1 1 . 1 1 49 49 GLY C C 42 175.669 175.669 175.113 0.556 17827
225 1 1 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.138 -0.818 17827
226 1 1 . 1 1 49 49 GLY H H 42 9.720 9.720 8.750 0.970 17827
227 1 1 . 1 1 50 50 GLY N N 43 109.571 109.571 108.425 1.146 17827
228 1 1 . 1 1 50 50 GLY C C 43 175.847 175.847 175.640 0.207 17827
229 1 1 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.448 1.552 17827
230 1 1 . 1 1 50 50 GLY H H 43 6.950 6.950 8.213 -1.263 17827
231 1 1 . 1 1 51 51 VAL N N 44 123.163 123.163 124.748 -1.585 17827
232 1 1 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.640 -0.525 17827
233 1 1 . 1 1 51 51 VAL C C 44 176.804 176.804 177.991 -1.187 17827
234 1 1 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.967 -0.307 17827
235 1 1 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.663 -0.933 17827
236 1 1 . 1 1 51 51 VAL H H 44 7.860 7.860 8.655 -0.795 17827
237 1 1 . 1 1 52 52 MET N N 45 115.913 115.913 117.261 -1.348 17827
238 1 1 . 1 1 52 52 MET HA H 45 3.410 3.410 4.122 -0.712 17827
239 1 1 . 1 1 52 52 MET C C 45 176.881 176.881 178.115 -1.234 17827
240 1 1 . 1 1 52 52 MET CA C 45 59.830 59.830 59.419 0.412 17827
241 1 1 . 1 1 52 52 MET CB C 45 32.310 32.310 31.881 0.429 17827
242 1 1 . 1 1 52 52 MET H H 45 7.940 7.940 7.754 0.186 17827
243 1 1 . 1 1 53 53 LEU N N 46 118.291 118.291 122.003 -3.712 17827
244 1 1 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.101 -0.161 17827
245 1 1 . 1 1 53 53 LEU C C 46 179.178 179.178 179.282 -0.104 17827
246 1 1 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.088 0.412 17827
247 1 1 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.164 0.766 17827
248 1 1 . 1 1 53 53 LEU H H 46 7.550 7.550 7.740 -0.190 17827
249 1 1 . 1 1 54 54 LYS N N 47 118.142 118.142 119.097 -0.955 17827
250 1 1 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.106 -0.236 17827
251 1 1 . 1 1 54 54 LYS C C 47 178.616 178.616 179.208 -0.592 17827
252 1 1 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.287 -1.307 17827
253 1 1 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.029 0.291 17827
254 1 1 . 1 1 54 54 LYS H H 47 7.665 7.665 8.687 -1.022 17827
255 1 1 . 1 1 55 55 LEU N N 48 119.385 119.385 120.241 -0.856 17827
256 1 1 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.316 -0.746 17827
257 1 1 . 1 1 55 55 LEU C C 48 177.405 177.405 177.940 -0.535 17827
258 1 1 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.755 0.035 17827
259 1 1 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.117 -0.527 17827
260 1 1 . 1 1 55 55 LEU H H 48 7.975 7.975 7.557 0.418 17827
261 1 1 . 1 1 56 56 VAL N N 49 116.141 116.141 119.814 -3.673 17827
262 1 1 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.727 -0.737 17827
263 1 1 . 1 1 56 56 VAL C C 49 178.564 178.564 178.232 0.332 17827
264 1 1 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.049 -0.739 17827
265 1 1 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.431 -0.131 17827
266 1 1 . 1 1 56 56 VAL H H 49 7.615 7.615 8.984 -1.369 17827
267 1 1 . 1 1 57 57 GLU N N 50 118.631 118.631 117.571 1.060 17827
268 1 1 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.137 -0.172 17827
269 1 1 . 1 1 57 57 GLU C C 50 178.030 178.030 178.329 -0.299 17827
270 1 1 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.863 -0.363 17827
271 1 1 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.697 -0.087 17827
272 1 1 . 1 1 57 57 GLU H H 50 7.575 7.575 8.753 -1.178 17827
273 1 1 . 1 1 58 58 LYS N N 51 117.053 117.053 118.788 -1.735 17827
274 1 1 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.090 0.040 17827
275 1 1 . 1 1 58 58 LYS C C 51 176.956 176.956 178.251 -1.295 17827
276 1 1 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.585 -1.925 17827
277 1 1 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.827 -0.167 17827
278 1 1 . 1 1 58 58 LYS H H 51 7.490 7.490 7.486 0.004 17827
279 1 1 . 1 1 59 59 LEU N N 52 119.460 119.460 119.590 -0.130 17827
280 1 1 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.130 -0.008 17827
281 1 1 . 1 1 59 59 LEU C C 52 176.645 176.645 177.098 -0.453 17827
282 1 1 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.505 0.155 17827
283 1 1 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.495 0.205 17827
284 1 1 . 1 1 59 59 LEU H H 52 7.470 7.470 8.049 -0.579 17827
285 1 1 . 1 1 62 62 LYS C C 55 175.670 175.670 174.988 0.682 17827
286 1 1 . 1 1 63 63 LYS N N 56 122.430 122.430 123.132 -0.702 17827
287 1 1 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.414 -0.384 17827
288 1 1 . 1 1 63 63 LYS C C 56 172.850 172.850 175.763 -2.913 17827
289 1 1 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.084 -0.554 17827
290 1 1 . 1 1 63 63 LYS CB C 56 34.440 34.440 34.035 0.405 17827
291 1 1 . 1 1 63 63 LYS H H 56 7.245 7.245 8.062 -0.817 17827
292 1 1 . 1 1 64 64 ASP N N 57 118.867 118.867 122.764 -3.897 17827
293 1 1 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.789 0.741 17827
294 1 1 . 1 1 64 64 ASP C C 57 176.710 176.710 176.085 0.625 17827
295 1 1 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.851 -1.351 17827
296 1 1 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.764 -0.444 17827
297 1 1 . 1 1 64 64 ASP H H 57 7.867 7.867 8.298 -0.431 17827
298 1 1 . 1 1 65 65 TRP N N 58 128.827 128.827 121.477 7.350 17827
299 1 1 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.700 -0.160 17827
300 1 1 . 1 1 65 65 TRP C C 58 178.390 178.390 177.954 0.436 17827
301 1 1 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.294 -6.434 17827
302 1 1 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.853 0.567 17827
303 1 1 . 1 1 65 65 TRP H H 58 8.790 8.790 7.983 0.807 17827
304 1 1 . 1 1 66 66 SER N N 59 117.724 117.724 114.441 3.283 17827
305 1 1 . 1 1 66 66 SER HA H 59 4.143 4.143 4.503 -0.360 17827
306 1 1 . 1 1 66 66 SER C C 59 174.471 174.471 174.954 -0.483 17827
307 1 1 . 1 1 66 66 SER CA C 59 62.350 62.350 60.279 2.071 17827
308 1 1 . 1 1 66 66 SER CB C 59 63.110 63.110 63.138 -0.028 17827
309 1 1 . 1 1 66 66 SER H H 59 8.637 8.637 8.233 0.404 17827
310 1 1 . 1 1 67 67 ASP N N 60 121.042 121.042 120.294 0.748 17827
311 1 1 . 1 1 67 67 ASP C C 60 176.206 176.206 176.482 -0.276 17827
312 1 1 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.940 1.620 17827
313 1 1 . 1 1 67 67 ASP H H 60 8.895 8.895 8.413 0.482 17827
314 1 1 . 1 1 68 68 HIS N N 61 121.519 121.519 116.635 4.884 17827
315 1 1 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.656 -0.166 17827
316 1 1 . 1 1 68 68 HIS C C 61 174.546 174.546 174.265 0.281 17827
317 1 1 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.502 1.438 17827
318 1 1 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.232 8.178 17827
319 1 1 . 1 1 68 68 HIS H H 61 7.958 7.958 7.465 0.493 17827
320 1 1 . 1 1 69 69 ALA N N 62 122.256 122.256 118.936 3.320 17827
321 1 1 . 1 1 69 69 ALA C C 62 175.294 175.294 175.234 0.060 17827
322 1 1 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.958 -0.488 17827
323 1 1 . 1 1 69 69 ALA H H 62 8.575 8.575 9.374 -0.799 17827
324 1 1 . 1 1 70 70 LEU N N 63 118.904 118.904 120.665 -1.761 17827
325 1 1 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.063 0.591 17827
326 1 1 . 1 1 70 70 LEU C C 63 174.445 174.445 176.645 -2.200 17827
327 1 1 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.291 0.639 17827
328 1 1 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.786 2.514 17827
329 1 1 . 1 1 70 70 LEU H H 63 9.150 9.150 8.919 0.231 17827
330 1 1 . 1 1 71 71 TRP N N 64 125.367 125.367 127.194 -1.827 17827
331 1 1 . 1 1 71 71 TRP C C 64 174.010 174.010 175.593 -1.583 17827
332 1 1 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.692 1.518 17827
333 1 1 . 1 1 71 71 TRP H H 64 9.590 9.590 8.553 1.037 17827
334 1 1 . 1 1 72 72 TRP N N 65 129.982 129.982 128.453 1.529 17827
335 1 1 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.724 0.256 17827
336 1 1 . 1 1 72 72 TRP C C 65 174.335 174.335 176.302 -1.967 17827
337 1 1 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.830 -2.390 17827
338 1 1 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.071 0.419 17827
339 1 1 . 1 1 72 72 TRP H H 65 8.277 8.277 8.456 -0.179 17827
340 1 1 . 1 1 73 73 GLU N N 66 129.112 129.112 128.319 0.793 17827
341 1 1 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.684 -0.384 17827
342 1 1 . 1 1 73 73 GLU C C 66 178.595 178.595 177.953 0.642 17827
343 1 1 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.894 0.026 17827
344 1 1 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.125 -0.065 17827
345 1 1 . 1 1 73 73 GLU H H 66 8.969 8.969 8.535 0.434 17827
346 1 1 . 1 1 74 74 LYS N N 67 117.492 117.492 118.207 -0.715 17827
347 1 1 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.687 0.015 17827
348 1 1 . 1 1 74 74 LYS C C 67 176.361 176.361 177.359 -0.998 17827
349 1 1 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.493 0.167 17827
350 1 1 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.282 0.738 17827
351 1 1 . 1 1 74 74 LYS H H 67 7.860 7.860 7.959 -0.099 17827
352 1 1 . 1 1 75 75 LYS N N 68 121.233 121.233 114.166 7.067 17827
353 1 1 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.134 -0.199 17827
354 1 1 . 1 1 75 75 LYS C C 68 174.183 174.183 175.235 -1.052 17827
355 1 1 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.090 -1.690 17827
356 1 1 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.814 -0.614 17827
357 1 1 . 1 1 75 75 LYS H H 68 7.500 7.500 6.896 0.604 17827
358 1 1 . 1 1 76 76 ARG N N 69 121.125 121.125 115.895 5.230 17827
359 1 1 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.012 -0.122 17827
360 1 1 . 1 1 76 76 ARG C C 69 173.984 173.984 173.925 0.059 17827
361 1 1 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.244 0.072 17827
362 1 1 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.285 0.805 17827
363 1 1 . 1 1 76 76 ARG H H 69 7.500 7.500 8.077 -0.577 17827
364 1 1 . 1 1 77 77 THR N N 70 110.478 110.478 109.715 0.763 17827
365 1 1 . 1 1 77 77 THR HA H 70 4.650 4.650 2.901 1.749 17827
366 1 1 . 1 1 77 77 THR C C 70 171.846 171.846 172.395 -0.549 17827
367 1 1 . 1 1 77 77 THR CA C 70 61.630 61.630 59.388 2.242 17827
368 1 1 . 1 1 77 77 THR CB C 70 72.210 72.210 70.546 1.664 17827
369 1 1 . 1 1 77 77 THR H H 70 6.280 6.280 6.829 -0.549 17827
370 1 1 . 1 1 78 78 TRP N N 71 127.244 127.244 119.824 7.420 17827
371 1 1 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.683 -0.933 17827
372 1 1 . 1 1 78 78 TRP C C 71 177.303 177.303 175.684 1.619 17827
373 1 1 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.641 0.599 17827
374 1 1 . 1 1 78 78 TRP CB C 71 30.500 30.500 33.179 -2.679 17827
375 1 1 . 1 1 78 78 TRP H H 71 8.795 8.795 8.255 0.540 17827
376 1 1 . 1 1 79 79 LEU N N 72 125.202 125.202 122.507 2.695 17827
377 1 1 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.836 -0.336 17827
378 1 1 . 1 1 79 79 LEU C C 72 175.667 175.667 176.433 -0.766 17827
379 1 1 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.283 -1.773 17827
380 1 1 . 1 1 79 79 LEU CB C 72 38.240 38.240 42.009 -3.769 17827
381 1 1 . 1 1 79 79 LEU H H 72 9.175 9.175 8.416 0.759 17827
382 1 1 . 1 1 80 80 LEU N N 73 119.170 119.170 124.082 -4.912 17827
383 1 1 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.610 -0.230 17827
384 1 1 . 1 1 80 80 LEU C C 73 178.139 178.139 176.710 1.429 17827
385 1 1 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.214 -0.514 17827
386 1 1 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.548 -0.378 17827
387 1 1 . 1 1 80 80 LEU H H 73 7.280 7.280 8.715 -1.435 17827
388 1 1 . 1 1 81 81 LYS N N 74 119.766 119.766 118.471 1.295 17827
389 1 1 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.350 0.085 17827
390 1 1 . 1 1 81 81 LYS C C 74 176.601 176.601 177.621 -1.020 17827
391 1 1 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.656 -1.996 17827
392 1 1 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.380 -4.840 17827
393 1 1 . 1 1 81 81 LYS H H 74 7.865 7.865 7.918 -0.053 17827
394 1 1 . 1 1 82 82 THR N N 75 115.636 115.636 114.693 0.943 17827
395 1 1 . 1 1 82 82 THR HA H 75 3.800 3.800 4.373 -0.573 17827
396 1 1 . 1 1 82 82 THR C C 75 174.806 174.806 175.641 -0.835 17827
397 1 1 . 1 1 82 82 THR CA C 75 64.650 64.650 64.248 0.402 17827
398 1 1 . 1 1 82 82 THR CB C 75 68.260 68.260 68.727 -0.467 17827
399 1 1 . 1 1 82 82 THR H H 75 7.910 7.910 8.756 -0.846 17827
400 1 1 . 1 1 83 83 HIS N N 76 116.767 116.767 118.694 -1.927 17827
401 1 1 . 1 1 83 83 HIS C C 76 176.370 176.370 174.585 1.785 17827
402 1 1 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.857 0.353 17827
403 1 1 . 1 1 83 83 HIS H H 76 8.965 8.965 8.494 0.471 17827
404 1 1 . 1 1 84 84 TRP N N 77 123.905 123.905 119.641 4.264 17827
405 1 1 . 1 1 84 84 TRP C C 77 175.584 175.584 175.660 -0.076 17827
406 1 1 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.281 1.109 17827
407 1 1 . 1 1 84 84 TRP H H 77 7.635 7.635 7.559 0.076 17827
408 1 1 . 1 1 85 85 THR N N 78 108.440 108.440 114.348 -5.908 17827
409 1 1 . 1 1 85 85 THR HA H 78 4.900 4.900 4.235 0.665 17827
410 1 1 . 1 1 85 85 THR C C 78 175.691 175.691 175.897 -0.206 17827
411 1 1 . 1 1 85 85 THR CA C 78 59.500 59.500 63.554 -4.054 17827
412 1 1 . 1 1 85 85 THR CB C 78 70.600 70.600 69.587 1.013 17827
413 1 1 . 1 1 85 85 THR H H 78 7.030 7.030 7.719 -0.689 17827
414 1 1 . 1 1 86 86 LEU N N 79 119.766 119.766 121.157 -1.391 17827
415 1 1 . 1 1 86 86 LEU HA H 79 4.040 4.040 3.987 0.053 17827
416 1 1 . 1 1 86 86 LEU C C 79 179.734 179.734 179.194 0.540 17827
417 1 1 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.200 -0.450 17827
418 1 1 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.802 -0.352 17827
419 1 1 . 1 1 86 86 LEU H H 79 8.045 8.045 8.679 -0.634 17827
420 1 1 . 1 1 87 87 ASP N N 80 118.407 118.407 118.943 -0.536 17827
421 1 1 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.391 0.049 17827
422 1 1 . 1 1 87 87 ASP C C 80 179.152 179.152 178.779 0.373 17827
423 1 1 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.998 0.322 17827
424 1 1 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.577 -0.257 17827
425 1 1 . 1 1 87 87 ASP H H 80 8.935 8.935 8.673 0.262 17827
426 1 1 . 1 1 88 88 LYS N N 81 123.300 123.300 119.824 3.476 17827
427 1 1 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.905 -0.205 17827
428 1 1 . 1 1 88 88 LYS C C 81 178.721 178.721 178.383 0.338 17827
429 1 1 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.104 -0.084 17827
430 1 1 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.007 -0.367 17827
431 1 1 . 1 1 88 88 LYS H H 81 8.055 8.055 8.051 0.004 17827
432 1 1 . 1 1 89 89 TYR N N 82 115.690 115.690 116.601 -0.911 17827
433 1 1 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.724 -0.144 17827
434 1 1 . 1 1 89 89 TYR C C 82 176.164 176.164 175.855 0.309 17827
435 1 1 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.127 1.623 17827
436 1 1 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.267 1.483 17827
437 1 1 . 1 1 89 89 TYR H H 82 7.730 7.730 7.866 -0.136 17827
438 1 1 . 1 1 90 90 GLY N N 83 108.212 108.212 106.444 1.768 17827
439 1 1 . 1 1 90 90 GLY C C 83 174.555 174.555 174.560 -0.005 17827
440 1 1 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.963 0.547 17827
441 1 1 . 1 1 90 90 GLY H H 83 8.030 8.030 8.016 0.014 17827
442 1 1 . 1 1 91 91 ILE N N 84 122.960 122.960 120.612 2.348 17827
443 1 1 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.164 -0.794 17827
444 1 1 . 1 1 91 91 ILE C C 84 173.611 173.611 175.071 -1.460 17827
445 1 1 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.436 0.264 17827
446 1 1 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.057 -1.447 17827
447 1 1 . 1 1 91 91 ILE H H 84 7.850 7.850 7.904 -0.054 17827
448 1 1 . 1 1 92 92 GLN N N 85 125.429 125.429 123.661 1.768 17827
449 1 1 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.884 -0.004 17827
450 1 1 . 1 1 92 92 GLN C C 85 174.756 174.756 174.930 -0.174 17827
451 1 1 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.998 -1.278 17827
452 1 1 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.965 0.185 17827
453 1 1 . 1 1 92 92 GLN H H 85 7.700 7.700 8.312 -0.612 17827
454 1 1 . 1 1 93 93 ALA N N 86 118.217 118.217 121.285 -3.068 17827
455 1 1 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.119 -0.319 17827
456 1 1 . 1 1 93 93 ALA C C 86 177.201 177.201 177.284 -0.083 17827
457 1 1 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.066 1.014 17827
458 1 1 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.694 -0.284 17827
459 1 1 . 1 1 93 93 ALA H H 86 6.886 6.886 8.145 -1.259 17827
460 1 1 . 1 1 94 94 ASP N N 87 113.647 113.647 116.921 -3.274 17827
461 1 1 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.546 -0.126 17827
462 1 1 . 1 1 94 94 ASP C C 87 176.218 176.218 175.133 1.085 17827
463 1 1 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.610 0.450 17827
464 1 1 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.759 -1.159 17827
465 1 1 . 1 1 94 94 ASP H H 87 8.223 8.223 8.087 0.136 17827
466 1 1 . 1 1 95 95 ALA N N 88 124.145 124.145 122.697 1.448 17827
467 1 1 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.526 -0.220 17827
468 1 1 . 1 1 95 95 ALA C C 88 176.630 176.630 176.560 0.070 17827
469 1 1 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.662 1.658 17827
470 1 1 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.549 0.471 17827
471 1 1 . 1 1 95 95 ALA H H 88 7.941 7.941 7.101 0.840 17827
472 1 1 . 1 1 96 96 LYS N N 89 120.897 120.897 126.160 -5.263 17827
473 1 1 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.666 0.160 17827
474 1 1 . 1 1 96 96 LYS C C 89 176.161 176.161 176.120 0.041 17827
475 1 1 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.206 -0.470 17827
476 1 1 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.530 -0.140 17827
477 1 1 . 1 1 96 96 LYS H H 89 8.500 8.500 8.533 -0.033 17827
478 1 1 . 1 1 97 97 LEU N N 90 122.960 122.960 124.260 -1.300 17827
479 1 1 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.422 0.653 17827
480 1 1 . 1 1 97 97 LEU C C 90 176.394 176.394 177.146 -0.752 17827
481 1 1 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.452 -1.392 17827
482 1 1 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.065 1.785 17827
483 1 1 . 1 1 97 97 LEU H H 90 8.566 8.566 8.844 -0.278 17827
484 1 1 . 1 1 98 98 GLN N N 91 119.538 119.538 115.948 3.590 17827
485 1 1 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.880 0.830 17827
486 1 1 . 1 1 98 98 GLN C C 91 174.144 174.144 174.579 -0.435 17827
487 1 1 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.716 -0.356 17827
488 1 1 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.965 -0.674 17827
489 1 1 . 1 1 98 98 GLN H H 91 9.060 9.060 8.107 0.953 17827
490 1 1 . 1 1 99 99 PHE N N 92 125.674 125.674 120.443 5.231 17827
491 1 1 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.329 0.371 17827
492 1 1 . 1 1 99 99 PHE C C 92 174.537 174.537 174.238 0.299 17827
493 1 1 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.898 -1.708 17827
494 1 1 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.674 -2.594 17827
495 1 1 . 1 1 99 99 PHE H H 92 9.290 9.290 9.728 -0.438 17827
496 1 1 . 1 1 100 100 THR N N 93 124.543 124.543 117.970 6.573 17827
497 1 1 . 1 1 100 100 THR HA H 93 5.100 5.100 4.832 0.268 17827
498 1 1 . 1 1 100 100 THR C C 93 180.164 180.164 171.955 8.209 17827
499 1 1 . 1 1 100 100 THR CA C 93 58.830 58.830 58.899 -0.069 17827
500 1 1 . 1 1 100 100 THR CB C 93 73.610 73.610 70.855 2.755 17827
501 1 1 . 1 1 100 100 THR H H 93 8.945 8.945 9.794 -0.849 17827
502 1 2 . 1 1 9 9 ALA N N 2 124.336 124.336 123.468 0.868 17827
503 1 2 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.537 -0.327 17827
504 1 2 . 1 1 9 9 ALA C C 2 177.598 177.598 176.029 1.569 17827
505 1 2 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.722 0.718 17827
506 1 2 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.314 -0.284 17827
507 1 2 . 1 1 9 9 ALA H H 2 8.018 8.018 8.136 -0.118 17827
508 1 2 . 1 1 10 10 LEU N N 3 121.125 121.125 123.099 -1.974 17827
509 1 2 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.114 0.096 17827
510 1 2 . 1 1 10 10 LEU C C 3 177.094 177.094 177.696 -0.602 17827
511 1 2 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.601 -1.281 17827
512 1 2 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.174 -0.004 17827
513 1 2 . 1 1 10 10 LEU H H 3 8.057 8.057 8.325 -0.268 17827
514 1 2 . 1 1 11 11 ASP N N 4 119.766 119.766 115.385 4.381 17827
515 1 2 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.291 0.184 17827
516 1 2 . 1 1 11 11 ASP C C 4 176.509 176.509 176.449 0.060 17827
517 1 2 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.264 -0.714 17827
518 1 2 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.643 0.307 17827
519 1 2 . 1 1 11 11 ASP H H 4 8.145 8.145 8.405 -0.260 17827
520 1 2 . 1 1 12 12 GLY N N 5 108.440 108.440 104.917 3.523 17827
521 1 2 . 1 1 12 12 GLY C C 5 173.692 173.692 175.538 -1.846 17827
522 1 2 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.086 0.224 17827
523 1 2 . 1 1 12 12 GLY H H 5 8.110 8.110 7.914 0.196 17827
524 1 2 . 1 1 13 13 ILE N N 6 119.766 119.766 122.676 -2.910 17827
525 1 2 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.521 0.579 17827
526 1 2 . 1 1 13 13 ILE C C 6 175.525 175.525 177.107 -1.582 17827
527 1 2 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.032 -3.322 17827
528 1 2 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.304 1.126 17827
529 1 2 . 1 1 13 13 ILE H H 6 7.790 7.790 7.934 -0.144 17827
530 1 2 . 1 1 14 14 ARG N N 7 125.657 125.657 119.672 5.985 17827
531 1 2 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.130 0.080 17827
532 1 2 . 1 1 14 14 ARG C C 7 175.810 175.810 176.799 -0.989 17827
533 1 2 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.979 -2.339 17827
534 1 2 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.221 0.769 17827
535 1 2 . 1 1 14 14 ARG H H 7 8.410 8.410 7.707 0.703 17827
536 1 2 . 1 1 15 15 MET N N 8 123.598 123.598 115.375 8.223 17827
537 1 2 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.791 17827
538 1 2 . 1 1 15 15 MET C C 8 174.950 174.950 174.384 0.566 17827
539 1 2 . 1 1 15 15 MET CA C 8 55.330 55.330 53.938 1.392 17827
540 1 2 . 1 1 15 15 MET CB C 8 31.730 31.730 32.843 -1.113 17827
541 1 2 . 1 1 15 15 MET H H 8 8.495 8.495 7.826 0.669 17827
542 1 2 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.315 -0.025 17827
543 1 2 . 1 1 16 16 PRO C C 9 176.228 176.228 176.589 -0.361 17827
544 1 2 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.838 -1.468 17827
545 1 2 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.730 1.091 17827
546 1 2 . 1 1 17 17 ASP N N 10 117.952 117.952 116.931 1.021 17827
547 1 2 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.603 -0.183 17827
548 1 2 . 1 1 17 17 ASP C C 10 176.714 176.714 176.591 0.123 17827
549 1 2 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.617 -0.487 17827
550 1 2 . 1 1 17 17 ASP CB C 10 40.430 40.430 39.953 0.477 17827
551 1 2 . 1 1 17 17 ASP H H 10 8.076 8.076 7.871 0.205 17827
552 1 2 . 1 1 18 18 GLY N N 11 108.663 108.663 105.598 3.065 17827
553 1 2 . 1 1 18 18 GLY C C 11 173.819 173.819 174.683 -0.864 17827
554 1 2 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.125 0.175 17827
555 1 2 . 1 1 18 18 GLY H H 11 8.255 8.255 7.490 0.765 17827
556 1 2 . 1 1 19 19 CYS N N 12 118.179 118.179 118.833 -0.654 17827
557 1 2 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.301 0.249 17827
558 1 2 . 1 1 19 19 CYS C C 12 174.073 174.073 174.556 -0.483 17827
559 1 2 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.788 -3.368 17827
560 1 2 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.590 -0.190 17827
561 1 2 . 1 1 19 19 CYS H H 12 7.850 7.850 8.272 -0.422 17827
562 1 2 . 1 1 20 20 TYR N N 13 120.897 120.897 118.714 2.183 17827
563 1 2 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.555 -0.005 17827
564 1 2 . 1 1 20 20 TYR C C 13 176.748 176.748 174.674 2.074 17827
565 1 2 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.290 1.180 17827
566 1 2 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.959 1.252 17827
567 1 2 . 1 1 20 20 TYR H H 13 8.550 8.550 8.067 0.483 17827
568 1 2 . 1 1 21 21 ALA N N 14 124.750 124.750 124.214 0.536 17827
569 1 2 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.819 0.371 17827
570 1 2 . 1 1 21 21 ALA C C 14 177.181 177.181 177.002 0.179 17827
571 1 2 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.425 0.105 17827
572 1 2 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.130 0.500 17827
573 1 2 . 1 1 21 21 ALA H H 14 8.615 8.615 8.122 0.493 17827
574 1 2 . 1 1 22 22 ASP N N 15 117.500 117.500 119.898 -2.398 17827
575 1 2 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.271 0.209 17827
576 1 2 . 1 1 22 22 ASP C C 15 176.708 176.708 177.052 -0.344 17827
577 1 2 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.300 -1.800 17827
578 1 2 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.068 -0.338 17827
579 1 2 . 1 1 22 22 ASP H H 15 7.960 7.960 8.191 -0.231 17827
580 1 2 . 1 1 23 23 GLY N N 16 108.891 108.891 107.974 0.917 17827
581 1 2 . 1 1 23 23 GLY C C 16 174.373 174.373 173.469 0.904 17827
582 1 2 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.034 -0.664 17827
583 1 2 . 1 1 23 23 GLY H H 16 8.344 8.344 8.814 -0.470 17827
584 1 2 . 1 1 24 24 THR N N 17 110.929 110.929 109.257 1.672 17827
585 1 2 . 1 1 24 24 THR HA H 17 4.640 4.640 4.574 0.066 17827
586 1 2 . 1 1 24 24 THR C C 17 173.620 173.620 172.812 0.808 17827
587 1 2 . 1 1 24 24 THR CA C 17 60.540 60.540 60.093 0.448 17827
588 1 2 . 1 1 24 24 THR CB C 17 72.100 72.100 71.243 0.857 17827
589 1 2 . 1 1 24 24 THR H H 17 7.850 7.850 7.436 0.414 17827
590 1 2 . 1 1 25 25 TRP N N 18 117.728 117.728 117.913 -0.185 17827
591 1 2 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.966 -0.021 17827
592 1 2 . 1 1 25 25 TRP C C 18 174.164 174.164 174.086 0.078 17827
593 1 2 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.818 -2.198 17827
594 1 2 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.172 0.478 17827
595 1 2 . 1 1 25 25 TRP H H 18 8.640 8.640 7.538 1.102 17827
596 1 2 . 1 1 26 26 GLU N N 19 117.728 117.728 118.813 -1.085 17827
597 1 2 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.861 -0.010 17827
598 1 2 . 1 1 26 26 GLU C C 19 174.786 174.786 174.515 0.271 17827
599 1 2 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.829 0.881 17827
600 1 2 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.465 -0.965 17827
601 1 2 . 1 1 26 26 GLU H H 19 8.744 8.744 8.495 0.249 17827
602 1 2 . 1 1 27 27 LEU N N 20 126.668 126.668 119.267 7.401 17827
603 1 2 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.694 0.186 17827
604 1 2 . 1 1 27 27 LEU C C 20 175.123 175.123 175.256 -0.133 17827
605 1 2 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.415 -0.163 17827
606 1 2 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.596 -1.316 17827
607 1 2 . 1 1 27 27 LEU H H 20 8.980 8.980 8.807 0.173 17827
608 1 2 . 1 1 28 28 SER N N 21 121.804 121.804 116.797 5.007 17827
609 1 2 . 1 1 28 28 SER HA H 21 4.894 4.894 4.791 0.103 17827
610 1 2 . 1 1 28 28 SER C C 21 173.483 173.483 172.712 0.771 17827
611 1 2 . 1 1 28 28 SER CA C 21 57.880 57.880 57.224 0.656 17827
612 1 2 . 1 1 28 28 SER CB C 21 63.920 63.920 64.663 -0.743 17827
613 1 2 . 1 1 28 28 SER H H 21 8.785 8.785 8.423 0.362 17827
614 1 2 . 1 1 29 29 VAL N N 22 125.881 125.881 122.785 3.096 17827
615 1 2 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.385 -0.015 17827
616 1 2 . 1 1 29 29 VAL C C 22 173.953 173.953 174.474 -0.521 17827
617 1 2 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.413 0.027 17827
618 1 2 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.296 -0.946 17827
619 1 2 . 1 1 29 29 VAL H H 22 8.865 8.865 8.304 0.561 17827
620 1 2 . 1 1 30 30 HIS N N 23 126.560 126.560 122.946 3.614 17827
621 1 2 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.773 0.447 17827
622 1 2 . 1 1 30 30 HIS C C 23 174.596 174.596 174.450 0.146 17827
623 1 2 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.472 -0.222 17827
624 1 2 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.698 -2.148 17827
625 1 2 . 1 1 30 30 HIS H H 23 8.810 8.810 8.508 0.302 17827
626 1 2 . 1 1 31 31 VAL N N 24 130.587 130.587 128.455 2.132 17827
627 1 2 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.622 0.608 17827
628 1 2 . 1 1 31 31 VAL C C 24 177.426 177.426 175.238 2.188 17827
629 1 2 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.142 -6.612 17827
630 1 2 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.761 -0.721 17827
631 1 2 . 1 1 31 31 VAL H H 24 9.043 9.043 8.790 0.253 17827
632 1 2 . 1 1 32 32 THR N N 25 122.484 122.484 121.864 0.620 17827
633 1 2 . 1 1 32 32 THR HA H 25 3.970 3.970 4.355 -0.385 17827
634 1 2 . 1 1 32 32 THR C C 25 177.437 177.437 175.149 2.288 17827
635 1 2 . 1 1 32 32 THR CA C 25 66.470 66.470 63.644 2.826 17827
636 1 2 . 1 1 32 32 THR CB C 25 68.220 68.220 70.280 -2.060 17827
637 1 2 . 1 1 32 32 THR H H 25 8.245 8.245 8.387 -0.142 17827
638 1 2 . 1 1 34 34 VAL N N 27 114.090 114.090 116.900 -2.810 17827
639 1 2 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.267 0.233 17827
640 1 2 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.519 -8.299 17827
641 1 2 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.757 -6.697 17827
642 1 2 . 1 1 34 34 VAL H H 27 6.977 6.977 7.416 -0.439 17827
643 1 2 . 1 1 35 35 ASN N N 28 116.829 116.829 116.681 0.148 17827
644 1 2 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.467 -0.168 17827
645 1 2 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.179 -0.529 17827
646 1 2 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.156 -1.046 17827
647 1 2 . 1 1 35 35 ASN H H 28 7.897 7.897 8.420 -0.523 17827
648 1 2 . 1 1 36 36 ARG N N 29 114.310 114.310 117.431 -3.121 17827
649 1 2 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.600 0.100 17827
650 1 2 . 1 1 36 36 ARG C C 29 173.347 173.347 174.200 -0.853 17827
651 1 2 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.917 -0.017 17827
652 1 2 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.863 2.837 17827
653 1 2 . 1 1 36 36 ARG H H 29 6.787 6.787 7.647 -0.860 17827
654 1 2 . 1 1 37 37 ASP N N 30 124.071 124.071 117.828 6.243 17827
655 1 2 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.666 0.809 17827
656 1 2 . 1 1 37 37 ASP C C 30 175.354 175.354 174.632 0.722 17827
657 1 2 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.427 0.233 17827
658 1 2 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.119 0.141 17827
659 1 2 . 1 1 37 37 ASP H H 30 8.760 8.760 8.385 0.375 17827
660 1 2 . 1 1 38 38 VAL N N 31 123.300 123.300 118.862 4.438 17827
661 1 2 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.548 -0.278 17827
662 1 2 . 1 1 38 38 VAL C C 31 174.203 174.203 174.326 -0.123 17827
663 1 2 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.135 0.565 17827
664 1 2 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.051 -1.431 17827
665 1 2 . 1 1 38 38 VAL H H 31 9.187 9.187 7.809 1.378 17827
666 1 2 . 1 1 39 39 THR N N 32 119.766 119.766 113.239 6.527 17827
667 1 2 . 1 1 39 39 THR HA H 32 5.095 5.095 4.831 0.264 17827
668 1 2 . 1 1 39 39 THR C C 32 173.547 173.547 173.133 0.414 17827
669 1 2 . 1 1 39 39 THR CA C 32 60.550 60.550 59.995 0.555 17827
670 1 2 . 1 1 39 39 THR CB C 32 70.170 70.170 71.059 -0.889 17827
671 1 2 . 1 1 39 39 THR H H 32 8.360 8.360 8.093 0.267 17827
672 1 2 . 1 1 40 40 LEU N N 33 124.522 124.522 122.715 1.807 17827
673 1 2 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.660 -0.070 17827
674 1 2 . 1 1 40 40 LEU C C 33 174.691 174.691 175.815 -1.124 17827
675 1 2 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.768 -1.188 17827
676 1 2 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.456 0.954 17827
677 1 2 . 1 1 40 40 LEU H H 33 8.750 8.750 8.161 0.589 17827
678 1 2 . 1 1 41 41 ARG N N 34 122.712 122.712 124.563 -1.851 17827
679 1 2 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.689 -0.009 17827
680 1 2 . 1 1 41 41 ARG C C 34 175.700 175.700 174.480 1.220 17827
681 1 2 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.388 0.032 17827
682 1 2 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.635 -0.135 17827
683 1 2 . 1 1 41 41 ARG H H 34 8.345 8.345 8.754 -0.409 17827
684 1 2 . 1 1 42 42 VAL N N 35 117.728 117.728 118.034 -0.306 17827
685 1 2 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.532 -0.067 17827
686 1 2 . 1 1 42 42 VAL C C 35 173.184 173.184 173.673 -0.489 17827
687 1 2 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.285 -0.615 17827
688 1 2 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.515 0.535 17827
689 1 2 . 1 1 42 42 VAL H H 35 8.640 8.640 7.798 0.842 17827
690 1 2 . 1 1 43 43 THR N N 36 104.359 104.359 109.910 -5.551 17827
691 1 2 . 1 1 43 43 THR HA H 36 4.660 4.660 2.400 2.260 17827
692 1 2 . 1 1 43 43 THR C C 36 174.862 174.862 175.501 -0.639 17827
693 1 2 . 1 1 43 43 THR CA C 36 59.010 59.010 59.260 -0.250 17827
694 1 2 . 1 1 43 43 THR CB C 36 71.570 71.570 71.061 0.509 17827
695 1 2 . 1 1 43 43 THR H H 36 6.220 6.220 7.939 -1.719 17827
696 1 2 . 1 1 44 44 GLY N N 37 105.946 105.946 107.171 -1.225 17827
697 1 2 . 1 1 44 44 GLY C C 37 173.394 173.394 174.551 -1.157 17827
698 1 2 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.719 0.111 17827
699 1 2 . 1 1 44 44 GLY H H 37 9.160 9.160 8.639 0.521 17827
700 1 2 . 1 1 45 45 GLU N N 38 113.875 113.875 117.583 -3.708 17827
701 1 2 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.242 0.048 17827
702 1 2 . 1 1 45 45 GLU C C 38 176.167 176.167 176.445 -0.278 17827
703 1 2 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.994 -0.494 17827
704 1 2 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.687 1.263 17827
705 1 2 . 1 1 45 45 GLU H H 38 7.500 7.500 7.314 0.186 17827
706 1 2 . 1 1 46 46 VAL N N 39 121.577 121.577 122.272 -0.695 17827
707 1 2 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.899 -0.079 17827
708 1 2 . 1 1 46 46 VAL C C 39 174.651 174.651 175.092 -0.441 17827
709 1 2 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.254 1.666 17827
710 1 2 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.633 -1.043 17827
711 1 2 . 1 1 46 46 VAL H H 39 7.260 7.260 7.534 -0.274 17827
712 1 2 . 1 1 47 47 HIS N N 40 123.391 123.391 125.508 -2.117 17827
713 1 2 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.682 0.530 17827
714 1 2 . 1 1 47 47 HIS C C 40 177.440 177.440 176.202 1.238 17827
715 1 2 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.626 -1.966 17827
716 1 2 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.234 -0.324 17827
717 1 2 . 1 1 47 47 HIS H H 40 8.285 8.285 8.404 -0.119 17827
718 1 2 . 1 1 48 48 ILE N N 41 124.071 124.071 124.278 -0.207 17827
719 1 2 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.862 -0.332 17827
720 1 2 . 1 1 48 48 ILE C C 41 178.941 178.941 177.596 1.345 17827
721 1 2 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.561 -3.231 17827
722 1 2 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.899 -3.669 17827
723 1 2 . 1 1 48 48 ILE H H 41 8.863 8.863 8.479 0.384 17827
724 1 2 . 1 1 49 49 GLY N N 42 106.853 106.853 104.344 2.509 17827
725 1 2 . 1 1 49 49 GLY C C 42 175.669 175.669 175.245 0.424 17827
726 1 2 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.229 -0.909 17827
727 1 2 . 1 1 49 49 GLY H H 42 9.720 9.720 8.800 0.920 17827
728 1 2 . 1 1 50 50 GLY N N 43 109.571 109.571 109.101 0.470 17827
729 1 2 . 1 1 50 50 GLY C C 43 175.847 175.847 175.334 0.513 17827
730 1 2 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.454 1.546 17827
731 1 2 . 1 1 50 50 GLY H H 43 6.950 6.950 8.248 -1.298 17827
732 1 2 . 1 1 51 51 VAL N N 44 123.163 123.163 124.819 -1.656 17827
733 1 2 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.572 -0.457 17827
734 1 2 . 1 1 51 51 VAL C C 44 176.804 176.804 177.865 -1.061 17827
735 1 2 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.340 -0.679 17827
736 1 2 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.111 -1.381 17827
737 1 2 . 1 1 51 51 VAL H H 44 7.860 7.860 8.682 -0.822 17827
738 1 2 . 1 1 52 52 MET N N 45 115.913 115.913 117.716 -1.803 17827
739 1 2 . 1 1 52 52 MET HA H 45 3.410 3.410 4.125 -0.715 17827
740 1 2 . 1 1 52 52 MET C C 45 176.881 176.881 178.198 -1.317 17827
741 1 2 . 1 1 52 52 MET CA C 45 59.830 59.830 59.593 0.237 17827
742 1 2 . 1 1 52 52 MET CB C 45 32.310 32.310 31.828 0.482 17827
743 1 2 . 1 1 52 52 MET H H 45 7.940 7.940 7.921 0.019 17827
744 1 2 . 1 1 53 53 LEU N N 46 118.291 118.291 121.495 -3.204 17827
745 1 2 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.167 -0.227 17827
746 1 2 . 1 1 53 53 LEU C C 46 179.178 179.178 179.329 -0.151 17827
747 1 2 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.131 0.369 17827
748 1 2 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.193 0.737 17827
749 1 2 . 1 1 53 53 LEU H H 46 7.550 7.550 7.715 -0.165 17827
750 1 2 . 1 1 54 54 LYS N N 47 118.142 118.142 119.500 -1.358 17827
751 1 2 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.165 -0.295 17827
752 1 2 . 1 1 54 54 LYS C C 47 178.616 178.616 179.283 -0.667 17827
753 1 2 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.172 -1.192 17827
754 1 2 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.096 0.224 17827
755 1 2 . 1 1 54 54 LYS H H 47 7.665 7.665 8.666 -1.001 17827
756 1 2 . 1 1 55 55 LEU N N 48 119.385 119.385 120.439 -1.054 17827
757 1 2 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.279 -0.709 17827
758 1 2 . 1 1 55 55 LEU C C 48 177.405 177.405 177.850 -0.445 17827
759 1 2 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.759 0.031 17827
760 1 2 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.154 -0.564 17827
761 1 2 . 1 1 55 55 LEU H H 48 7.975 7.975 7.887 0.088 17827
762 1 2 . 1 1 56 56 VAL N N 49 116.141 116.141 119.810 -3.669 17827
763 1 2 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.638 -0.648 17827
764 1 2 . 1 1 56 56 VAL C C 49 178.564 178.564 178.135 0.429 17827
765 1 2 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.870 -0.560 17827
766 1 2 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.331 -0.031 17827
767 1 2 . 1 1 56 56 VAL H H 49 7.615 7.615 8.976 -1.361 17827
768 1 2 . 1 1 57 57 GLU N N 50 118.631 118.631 117.391 1.240 17827
769 1 2 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.103 -0.138 17827
770 1 2 . 1 1 57 57 GLU C C 50 178.030 178.030 178.242 -0.212 17827
771 1 2 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.780 -0.280 17827
772 1 2 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.699 -0.089 17827
773 1 2 . 1 1 57 57 GLU H H 50 7.575 7.575 8.723 -1.148 17827
774 1 2 . 1 1 58 58 LYS N N 51 117.053 117.053 118.348 -1.295 17827
775 1 2 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.100 0.030 17827
776 1 2 . 1 1 58 58 LYS C C 51 176.956 176.956 177.851 -0.895 17827
777 1 2 . 1 1 58 58 LYS CA C 51 56.660 56.660 57.946 -1.286 17827
778 1 2 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.883 -0.223 17827
779 1 2 . 1 1 58 58 LYS H H 51 7.490 7.490 7.516 -0.026 17827
780 1 2 . 1 1 59 59 LEU N N 52 119.460 119.460 119.921 -0.461 17827
781 1 2 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.056 0.066 17827
782 1 2 . 1 1 59 59 LEU C C 52 176.645 176.645 176.664 -0.019 17827
783 1 2 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.941 0.719 17827
784 1 2 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.524 0.176 17827
785 1 2 . 1 1 59 59 LEU H H 52 7.470 7.470 7.903 -0.433 17827
786 1 2 . 1 1 62 62 LYS C C 55 175.670 175.670 175.116 0.554 17827
787 1 2 . 1 1 63 63 LYS N N 56 122.430 122.430 122.592 -0.162 17827
788 1 2 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.184 -0.154 17827
789 1 2 . 1 1 63 63 LYS C C 56 172.850 172.850 175.192 -2.342 17827
790 1 2 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.087 -1.557 17827
791 1 2 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.062 1.378 17827
792 1 2 . 1 1 63 63 LYS H H 56 7.245 7.245 8.196 -0.951 17827
793 1 2 . 1 1 64 64 ASP N N 57 118.867 118.867 123.915 -5.048 17827
794 1 2 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.210 0.320 17827
795 1 2 . 1 1 64 64 ASP C C 57 176.710 176.710 173.997 2.713 17827
796 1 2 . 1 1 64 64 ASP CA C 57 52.500 52.500 52.842 -0.342 17827
797 1 2 . 1 1 64 64 ASP CB C 57 40.320 40.320 43.702 -3.382 17827
798 1 2 . 1 1 64 64 ASP H H 57 7.867 7.867 8.111 -0.244 17827
799 1 2 . 1 1 65 65 TRP N N 58 128.827 128.827 120.937 7.890 17827
800 1 2 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.738 -0.198 17827
801 1 2 . 1 1 65 65 TRP C C 58 178.390 178.390 175.735 2.655 17827
802 1 2 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.624 -4.764 17827
803 1 2 . 1 1 65 65 TRP CB C 58 29.420 29.420 30.020 -0.600 17827
804 1 2 . 1 1 65 65 TRP H H 58 8.790 8.790 7.757 1.033 17827
805 1 2 . 1 1 66 66 SER N N 59 117.724 117.724 114.951 2.773 17827
806 1 2 . 1 1 66 66 SER HA H 59 4.143 4.143 4.382 -0.239 17827
807 1 2 . 1 1 66 66 SER C C 59 174.471 174.471 174.619 -0.148 17827
808 1 2 . 1 1 66 66 SER CA C 59 62.350 62.350 59.911 2.439 17827
809 1 2 . 1 1 66 66 SER CB C 59 63.110 63.110 63.429 -0.320 17827
810 1 2 . 1 1 66 66 SER H H 59 8.637 8.637 8.090 0.547 17827
811 1 2 . 1 1 67 67 ASP N N 60 121.042 121.042 120.359 0.683 17827
812 1 2 . 1 1 67 67 ASP C C 60 176.206 176.206 176.013 0.193 17827
813 1 2 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.015 1.545 17827
814 1 2 . 1 1 67 67 ASP H H 60 8.895 8.895 7.983 0.912 17827
815 1 2 . 1 1 68 68 HIS N N 61 121.519 121.519 117.038 4.481 17827
816 1 2 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.430 0.060 17827
817 1 2 . 1 1 68 68 HIS C C 61 174.546 174.546 173.710 0.836 17827
818 1 2 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.064 2.876 17827
819 1 2 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.939 8.471 17827
820 1 2 . 1 1 68 68 HIS H H 61 7.958 7.958 7.241 0.717 17827
821 1 2 . 1 1 69 69 ALA N N 62 122.256 122.256 118.375 3.881 17827
822 1 2 . 1 1 69 69 ALA C C 62 175.294 175.294 174.603 0.691 17827
823 1 2 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.232 0.238 17827
824 1 2 . 1 1 69 69 ALA H H 62 8.575 8.575 8.491 0.084 17827
825 1 2 . 1 1 70 70 LEU N N 63 118.904 118.904 119.886 -0.982 17827
826 1 2 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.896 0.758 17827
827 1 2 . 1 1 70 70 LEU C C 63 174.445 174.445 176.315 -1.870 17827
828 1 2 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.046 0.884 17827
829 1 2 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.756 1.544 17827
830 1 2 . 1 1 70 70 LEU H H 63 9.150 9.150 8.667 0.483 17827
831 1 2 . 1 1 71 71 TRP N N 64 125.367 125.367 127.015 -1.648 17827
832 1 2 . 1 1 71 71 TRP C C 64 174.010 174.010 174.899 -0.889 17827
833 1 2 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.133 2.077 17827
834 1 2 . 1 1 71 71 TRP H H 64 9.590 9.590 8.581 1.009 17827
835 1 2 . 1 1 72 72 TRP N N 65 129.982 129.982 130.115 -0.133 17827
836 1 2 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.895 0.085 17827
837 1 2 . 1 1 72 72 TRP C C 65 174.335 174.335 176.162 -1.827 17827
838 1 2 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.067 -3.627 17827
839 1 2 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.680 -0.190 17827
840 1 2 . 1 1 72 72 TRP H H 65 8.277 8.277 9.183 -0.906 17827
841 1 2 . 1 1 73 73 GLU N N 66 129.112 129.112 126.207 2.905 17827
842 1 2 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.685 -0.385 17827
843 1 2 . 1 1 73 73 GLU C C 66 178.595 178.595 177.276 1.319 17827
844 1 2 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.903 1.017 17827
845 1 2 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.834 0.226 17827
846 1 2 . 1 1 73 73 GLU H H 66 8.969 8.969 9.042 -0.073 17827
847 1 2 . 1 1 74 74 LYS N N 67 117.492 117.492 119.902 -2.410 17827
848 1 2 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.414 0.288 17827
849 1 2 . 1 1 74 74 LYS C C 67 176.361 176.361 177.131 -0.770 17827
850 1 2 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.166 0.494 17827
851 1 2 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.118 0.902 17827
852 1 2 . 1 1 74 74 LYS H H 67 7.860 7.860 7.548 0.312 17827
853 1 2 . 1 1 75 75 LYS N N 68 121.233 121.233 113.658 7.575 17827
854 1 2 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.364 -0.428 17827
855 1 2 . 1 1 75 75 LYS C C 68 174.183 174.183 175.363 -1.180 17827
856 1 2 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.434 -2.034 17827
857 1 2 . 1 1 75 75 LYS CB C 68 32.200 32.200 34.072 -1.871 17827
858 1 2 . 1 1 75 75 LYS H H 68 7.500 7.500 7.171 0.329 17827
859 1 2 . 1 1 76 76 ARG N N 69 121.125 121.125 118.084 3.041 17827
860 1 2 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.105 -1.215 17827
861 1 2 . 1 1 76 76 ARG C C 69 173.984 173.984 175.109 -1.125 17827
862 1 2 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.814 -0.498 17827
863 1 2 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.998 0.092 17827
864 1 2 . 1 1 76 76 ARG H H 69 7.500 7.500 7.765 -0.265 17827
865 1 2 . 1 1 77 77 THR N N 70 110.478 110.478 113.732 -3.254 17827
866 1 2 . 1 1 77 77 THR HA H 70 4.650 4.650 4.486 0.164 17827
867 1 2 . 1 1 77 77 THR C C 70 171.846 171.846 172.272 -0.426 17827
868 1 2 . 1 1 77 77 THR CA C 70 61.630 61.630 60.931 0.699 17827
869 1 2 . 1 1 77 77 THR CB C 70 72.210 72.210 71.359 0.851 17827
870 1 2 . 1 1 77 77 THR H H 70 6.280 6.280 7.659 -1.379 17827
871 1 2 . 1 1 78 78 TRP N N 71 127.244 127.244 122.951 4.293 17827
872 1 2 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.492 -0.742 17827
873 1 2 . 1 1 78 78 TRP C C 71 177.303 177.303 176.351 0.952 17827
874 1 2 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.077 1.163 17827
875 1 2 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.561 -0.060 17827
876 1 2 . 1 1 78 78 TRP H H 71 8.795 8.795 8.511 0.284 17827
877 1 2 . 1 1 79 79 LEU N N 72 125.202 125.202 122.165 3.037 17827
878 1 2 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.857 -0.357 17827
879 1 2 . 1 1 79 79 LEU C C 72 175.667 175.667 175.972 -0.305 17827
880 1 2 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.245 -1.735 17827
881 1 2 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.944 -3.704 17827
882 1 2 . 1 1 79 79 LEU H H 72 9.175 9.175 8.227 0.948 17827
883 1 2 . 1 1 80 80 LEU N N 73 119.170 119.170 123.748 -4.578 17827
884 1 2 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.572 -0.192 17827
885 1 2 . 1 1 80 80 LEU C C 73 178.139 178.139 176.711 1.428 17827
886 1 2 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.967 -0.267 17827
887 1 2 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.507 -0.337 17827
888 1 2 . 1 1 80 80 LEU H H 73 7.280 7.280 8.641 -1.361 17827
889 1 2 . 1 1 81 81 LYS N N 74 119.766 119.766 118.566 1.200 17827
890 1 2 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.289 0.146 17827
891 1 2 . 1 1 81 81 LYS C C 74 176.601 176.601 177.137 -0.536 17827
892 1 2 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.731 -2.071 17827
893 1 2 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.837 -4.298 17827
894 1 2 . 1 1 81 81 LYS H H 74 7.865 7.865 7.827 0.038 17827
895 1 2 . 1 1 82 82 THR N N 75 115.636 115.636 114.190 1.446 17827
896 1 2 . 1 1 82 82 THR HA H 75 3.800 3.800 4.403 -0.603 17827
897 1 2 . 1 1 82 82 THR C C 75 174.806 174.806 176.140 -1.334 17827
898 1 2 . 1 1 82 82 THR CA C 75 64.650 64.650 64.249 0.401 17827
899 1 2 . 1 1 82 82 THR CB C 75 68.260 68.260 68.942 -0.682 17827
900 1 2 . 1 1 82 82 THR H H 75 7.910 7.910 8.603 -0.693 17827
901 1 2 . 1 1 83 83 HIS N N 76 116.767 116.767 120.708 -3.941 17827
902 1 2 . 1 1 83 83 HIS C C 76 176.370 176.370 174.641 1.729 17827
903 1 2 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.503 0.707 17827
904 1 2 . 1 1 83 83 HIS H H 76 8.965 8.965 8.629 0.336 17827
905 1 2 . 1 1 84 84 TRP N N 77 123.905 123.905 119.031 4.874 17827
906 1 2 . 1 1 84 84 TRP C C 77 175.584 175.584 175.245 0.339 17827
907 1 2 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.797 2.592 17827
908 1 2 . 1 1 84 84 TRP H H 77 7.635 7.635 7.577 0.058 17827
909 1 2 . 1 1 85 85 THR N N 78 108.440 108.440 115.021 -6.581 17827
910 1 2 . 1 1 85 85 THR HA H 78 4.900 4.900 4.246 0.654 17827
911 1 2 . 1 1 85 85 THR C C 78 175.691 175.691 176.286 -0.595 17827
912 1 2 . 1 1 85 85 THR CA C 78 59.500 59.500 63.778 -4.278 17827
913 1 2 . 1 1 85 85 THR CB C 78 70.600 70.600 69.640 0.960 17827
914 1 2 . 1 1 85 85 THR H H 78 7.030 7.030 7.882 -0.852 17827
915 1 2 . 1 1 86 86 LEU N N 79 119.766 119.766 120.807 -1.041 17827
916 1 2 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.298 -0.258 17827
917 1 2 . 1 1 86 86 LEU C C 79 179.734 179.734 179.295 0.439 17827
918 1 2 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.044 0.706 17827
919 1 2 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.263 0.187 17827
920 1 2 . 1 1 86 86 LEU H H 79 8.045 8.045 8.910 -0.865 17827
921 1 2 . 1 1 87 87 ASP N N 80 118.407 118.407 118.919 -0.512 17827
922 1 2 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.388 0.052 17827
923 1 2 . 1 1 87 87 ASP C C 80 179.152 179.152 178.179 0.973 17827
924 1 2 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.075 0.245 17827
925 1 2 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.692 -0.372 17827
926 1 2 . 1 1 87 87 ASP H H 80 8.935 8.935 8.851 0.084 17827
927 1 2 . 1 1 88 88 LYS N N 81 123.300 123.300 118.829 4.471 17827
928 1 2 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.929 -0.229 17827
929 1 2 . 1 1 88 88 LYS C C 81 178.721 178.721 177.945 0.776 17827
930 1 2 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.001 0.019 17827
931 1 2 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.043 -0.403 17827
932 1 2 . 1 1 88 88 LYS H H 81 8.055 8.055 8.178 -0.123 17827
933 1 2 . 1 1 89 89 TYR N N 82 115.690 115.690 117.161 -1.471 17827
934 1 2 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.212 0.368 17827
935 1 2 . 1 1 89 89 TYR C C 82 176.164 176.164 175.553 0.611 17827
936 1 2 . 1 1 89 89 TYR CA C 82 61.750 61.750 58.977 2.773 17827
937 1 2 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.051 1.698 17827
938 1 2 . 1 1 89 89 TYR H H 82 7.730 7.730 7.477 0.253 17827
939 1 2 . 1 1 90 90 GLY N N 83 108.212 108.212 106.295 1.917 17827
940 1 2 . 1 1 90 90 GLY C C 83 174.555 174.555 174.505 0.050 17827
941 1 2 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.940 0.570 17827
942 1 2 . 1 1 90 90 GLY H H 83 8.030 8.030 7.629 0.401 17827
943 1 2 . 1 1 91 91 ILE N N 84 122.960 122.960 120.261 2.699 17827
944 1 2 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.260 -0.889 17827
945 1 2 . 1 1 91 91 ILE C C 84 173.611 173.611 175.118 -1.507 17827
946 1 2 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.918 0.782 17827
947 1 2 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.586 -1.976 17827
948 1 2 . 1 1 91 91 ILE H H 84 7.850 7.850 7.979 -0.129 17827
949 1 2 . 1 1 92 92 GLN N N 85 125.429 125.429 123.936 1.493 17827
950 1 2 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.027 -0.147 17827
951 1 2 . 1 1 92 92 GLN C C 85 174.756 174.756 175.054 -0.298 17827
952 1 2 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.847 -1.127 17827
953 1 2 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.731 0.419 17827
954 1 2 . 1 1 92 92 GLN H H 85 7.700 7.700 8.210 -0.510 17827
955 1 2 . 1 1 93 93 ALA N N 86 118.217 118.217 120.904 -2.687 17827
956 1 2 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.114 -0.314 17827
957 1 2 . 1 1 93 93 ALA C C 86 177.201 177.201 177.184 0.017 17827
958 1 2 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.222 0.858 17827
959 1 2 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.532 -0.122 17827
960 1 2 . 1 1 93 93 ALA H H 86 6.886 6.886 8.054 -1.168 17827
961 1 2 . 1 1 94 94 ASP N N 87 113.647 113.647 116.992 -3.345 17827
962 1 2 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.544 -0.124 17827
963 1 2 . 1 1 94 94 ASP C C 87 176.218 176.218 175.165 1.053 17827
964 1 2 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.567 0.493 17827
965 1 2 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.781 -1.181 17827
966 1 2 . 1 1 94 94 ASP H H 87 8.223 8.223 8.065 0.158 17827
967 1 2 . 1 1 95 95 ALA N N 88 124.145 124.145 122.791 1.354 17827
968 1 2 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.664 -0.358 17827
969 1 2 . 1 1 95 95 ALA C C 88 176.630 176.630 176.302 0.328 17827
970 1 2 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.600 1.720 17827
971 1 2 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.514 0.506 17827
972 1 2 . 1 1 95 95 ALA H H 88 7.941 7.941 7.079 0.862 17827
973 1 2 . 1 1 96 96 LYS N N 89 120.897 120.897 125.908 -5.011 17827
974 1 2 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.510 0.316 17827
975 1 2 . 1 1 96 96 LYS C C 89 176.161 176.161 175.923 0.238 17827
976 1 2 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.951 -0.215 17827
977 1 2 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.325 0.065 17827
978 1 2 . 1 1 96 96 LYS H H 89 8.500 8.500 8.531 -0.031 17827
979 1 2 . 1 1 97 97 LEU N N 90 122.960 122.960 124.936 -1.976 17827
980 1 2 . 1 1 97 97 LEU HA H 90 5.075 5.075 3.934 1.141 17827
981 1 2 . 1 1 97 97 LEU C C 90 176.394 176.394 176.062 0.332 17827
982 1 2 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.361 -1.301 17827
983 1 2 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.969 1.881 17827
984 1 2 . 1 1 97 97 LEU H H 90 8.566 8.566 8.482 0.084 17827
985 1 2 . 1 1 98 98 GLN N N 91 119.538 119.538 114.518 5.020 17827
986 1 2 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.839 0.871 17827
987 1 2 . 1 1 98 98 GLN C C 91 174.144 174.144 174.549 -0.405 17827
988 1 2 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.478 -0.118 17827
989 1 2 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.717 -0.427 17827
990 1 2 . 1 1 98 98 GLN H H 91 9.060 9.060 7.793 1.267 17827
991 1 2 . 1 1 99 99 PHE N N 92 125.674 125.674 120.213 5.461 17827
992 1 2 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.375 0.325 17827
993 1 2 . 1 1 99 99 PHE C C 92 174.537 174.537 174.057 0.480 17827
994 1 2 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.535 -2.345 17827
995 1 2 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.709 -2.629 17827
996 1 2 . 1 1 99 99 PHE H H 92 9.290 9.290 9.741 -0.451 17827
997 1 2 . 1 1 100 100 THR N N 93 124.543 124.543 117.468 7.075 17827
998 1 2 . 1 1 100 100 THR HA H 93 5.100 5.100 5.029 0.071 17827
999 1 2 . 1 1 100 100 THR C C 93 180.164 180.164 172.035 8.129 17827
1000 1 2 . 1 1 100 100 THR CA C 93 58.830 58.830 59.361 -0.531 17827
1001 1 2 . 1 1 100 100 THR CB C 93 73.610 73.610 71.445 2.165 17827
1002 1 2 . 1 1 100 100 THR H H 93 8.945 8.945 8.589 0.356 17827
1003 1 3 . 1 1 9 9 ALA N N 2 124.336 124.336 122.874 1.462 17827
1004 1 3 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.663 -0.453 17827
1005 1 3 . 1 1 9 9 ALA C C 2 177.598 177.598 175.938 1.660 17827
1006 1 3 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.439 1.001 17827
1007 1 3 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.704 -0.674 17827
1008 1 3 . 1 1 9 9 ALA H H 2 8.018 8.018 8.312 -0.294 17827
1009 1 3 . 1 1 10 10 LEU N N 3 121.125 121.125 119.267 1.858 17827
1010 1 3 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.517 -0.307 17827
1011 1 3 . 1 1 10 10 LEU C C 3 177.094 177.094 177.592 -0.498 17827
1012 1 3 . 1 1 10 10 LEU CA C 3 55.320 55.320 54.844 0.476 17827
1013 1 3 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.374 -0.204 17827
1014 1 3 . 1 1 10 10 LEU H H 3 8.057 8.057 8.236 -0.179 17827
1015 1 3 . 1 1 11 11 ASP N N 4 119.766 119.766 118.810 0.956 17827
1016 1 3 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.266 0.209 17827
1017 1 3 . 1 1 11 11 ASP C C 4 176.509 176.509 175.783 0.726 17827
1018 1 3 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.170 -0.620 17827
1019 1 3 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.585 0.365 17827
1020 1 3 . 1 1 11 11 ASP H H 4 8.145 8.145 8.808 -0.663 17827
1021 1 3 . 1 1 12 12 GLY N N 5 108.440 108.440 103.584 4.856 17827
1022 1 3 . 1 1 12 12 GLY C C 5 173.692 173.692 174.989 -1.297 17827
1023 1 3 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.282 1.028 17827
1024 1 3 . 1 1 12 12 GLY H H 5 8.110 8.110 7.889 0.221 17827
1025 1 3 . 1 1 13 13 ILE N N 6 119.766 119.766 121.929 -2.163 17827
1026 1 3 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.699 0.401 17827
1027 1 3 . 1 1 13 13 ILE C C 6 175.525 175.525 176.069 -0.544 17827
1028 1 3 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.604 -2.894 17827
1029 1 3 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.126 0.304 17827
1030 1 3 . 1 1 13 13 ILE H H 6 7.790 7.790 8.135 -0.345 17827
1031 1 3 . 1 1 14 14 ARG N N 7 125.657 125.657 116.586 9.071 17827
1032 1 3 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.360 -0.150 17827
1033 1 3 . 1 1 14 14 ARG C C 7 175.810 175.810 175.335 0.475 17827
1034 1 3 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.854 -1.214 17827
1035 1 3 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.781 -0.791 17827
1036 1 3 . 1 1 14 14 ARG H H 7 8.410 8.410 8.083 0.327 17827
1037 1 3 . 1 1 15 15 MET N N 8 123.598 123.598 117.146 6.452 17827
1038 1 3 . 1 1 15 15 MET HA H 8 4.210 4.210 4.767 -0.557 17827
1039 1 3 . 1 1 15 15 MET C C 8 174.950 174.950 175.278 -0.328 17827
1040 1 3 . 1 1 15 15 MET CA C 8 55.330 55.330 56.879 -1.549 17827
1041 1 3 . 1 1 15 15 MET CB C 8 31.730 31.730 31.500 0.230 17827
1042 1 3 . 1 1 15 15 MET H H 8 8.495 8.495 7.664 0.831 17827
1043 1 3 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.269 0.021 17827
1044 1 3 . 1 1 16 16 PRO C C 9 176.228 176.228 176.388 -0.160 17827
1045 1 3 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.850 -1.480 17827
1046 1 3 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.230 0.590 17827
1047 1 3 . 1 1 17 17 ASP N N 10 117.952 117.952 114.210 3.742 17827
1048 1 3 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.701 -0.281 17827
1049 1 3 . 1 1 17 17 ASP C C 10 176.714 176.714 175.750 0.964 17827
1050 1 3 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.070 0.060 17827
1051 1 3 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.412 0.018 17827
1052 1 3 . 1 1 17 17 ASP H H 10 8.076 8.076 8.006 0.070 17827
1053 1 3 . 1 1 18 18 GLY N N 11 108.663 108.663 106.079 2.584 17827
1054 1 3 . 1 1 18 18 GLY C C 11 173.819 173.819 174.800 -0.981 17827
1055 1 3 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.514 -0.214 17827
1056 1 3 . 1 1 18 18 GLY H H 11 8.255 8.255 8.094 0.161 17827
1057 1 3 . 1 1 19 19 CYS N N 12 118.179 118.179 120.267 -2.088 17827
1058 1 3 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.267 0.283 17827
1059 1 3 . 1 1 19 19 CYS C C 12 174.073 174.073 174.305 -0.232 17827
1060 1 3 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.657 -4.237 17827
1061 1 3 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.990 0.410 17827
1062 1 3 . 1 1 19 19 CYS H H 12 7.850 7.850 8.736 -0.886 17827
1063 1 3 . 1 1 20 20 TYR N N 13 120.897 120.897 117.222 3.675 17827
1064 1 3 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.584 -0.034 17827
1065 1 3 . 1 1 20 20 TYR C C 13 176.748 176.748 175.353 1.395 17827
1066 1 3 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.662 0.808 17827
1067 1 3 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.773 -0.563 17827
1068 1 3 . 1 1 20 20 TYR H H 13 8.550 8.550 7.753 0.797 17827
1069 1 3 . 1 1 21 21 ALA N N 14 124.750 124.750 122.774 1.976 17827
1070 1 3 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.087 0.103 17827
1071 1 3 . 1 1 21 21 ALA C C 14 177.181 177.181 177.138 0.043 17827
1072 1 3 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.272 -0.742 17827
1073 1 3 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.048 -0.418 17827
1074 1 3 . 1 1 21 21 ALA H H 14 8.615 8.615 8.138 0.477 17827
1075 1 3 . 1 1 22 22 ASP N N 15 117.500 117.500 115.753 1.747 17827
1076 1 3 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.635 -0.155 17827
1077 1 3 . 1 1 22 22 ASP C C 15 176.708 176.708 176.719 -0.011 17827
1078 1 3 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.267 -0.766 17827
1079 1 3 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.289 -1.560 17827
1080 1 3 . 1 1 22 22 ASP H H 15 7.960 7.960 8.176 -0.216 17827
1081 1 3 . 1 1 23 23 GLY N N 16 108.891 108.891 108.278 0.613 17827
1082 1 3 . 1 1 23 23 GLY C C 16 174.373 174.373 173.627 0.746 17827
1083 1 3 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.655 -0.285 17827
1084 1 3 . 1 1 23 23 GLY H H 16 8.344 8.344 8.227 0.117 17827
1085 1 3 . 1 1 24 24 THR N N 17 110.929 110.929 110.591 0.338 17827
1086 1 3 . 1 1 24 24 THR HA H 17 4.640 4.640 4.497 0.143 17827
1087 1 3 . 1 1 24 24 THR C C 17 173.620 173.620 172.530 1.090 17827
1088 1 3 . 1 1 24 24 THR CA C 17 60.540 60.540 60.487 0.053 17827
1089 1 3 . 1 1 24 24 THR CB C 17 72.100 72.100 69.324 2.776 17827
1090 1 3 . 1 1 24 24 THR H H 17 7.850 7.850 7.765 0.085 17827
1091 1 3 . 1 1 25 25 TRP N N 18 117.728 117.728 118.774 -1.046 17827
1092 1 3 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.081 -0.136 17827
1093 1 3 . 1 1 25 25 TRP C C 18 174.164 174.164 174.043 0.121 17827
1094 1 3 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.265 -1.645 17827
1095 1 3 . 1 1 25 25 TRP CB C 18 30.650 30.650 31.082 -0.432 17827
1096 1 3 . 1 1 25 25 TRP H H 18 8.640 8.640 7.974 0.666 17827
1097 1 3 . 1 1 26 26 GLU N N 19 117.728 117.728 118.162 -0.434 17827
1098 1 3 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.799 0.052 17827
1099 1 3 . 1 1 26 26 GLU C C 19 174.786 174.786 174.590 0.196 17827
1100 1 3 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.754 0.956 17827
1101 1 3 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.403 -0.903 17827
1102 1 3 . 1 1 26 26 GLU H H 19 8.744 8.744 8.485 0.259 17827
1103 1 3 . 1 1 27 27 LEU N N 20 126.668 126.668 119.392 7.276 17827
1104 1 3 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.759 0.121 17827
1105 1 3 . 1 1 27 27 LEU C C 20 175.123 175.123 175.335 -0.212 17827
1106 1 3 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.550 -0.298 17827
1107 1 3 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.844 -1.564 17827
1108 1 3 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827
1109 1 3 . 1 1 28 28 SER N N 21 121.804 121.804 117.475 4.329 17827
1110 1 3 . 1 1 28 28 SER HA H 21 4.894 4.894 5.119 -0.225 17827
1111 1 3 . 1 1 28 28 SER C C 21 173.483 173.483 172.851 0.632 17827
1112 1 3 . 1 1 28 28 SER CA C 21 57.880 57.880 56.694 1.186 17827
1113 1 3 . 1 1 28 28 SER CB C 21 63.920 63.920 64.507 -0.587 17827
1114 1 3 . 1 1 28 28 SER H H 21 8.785 8.785 8.496 0.289 17827
1115 1 3 . 1 1 29 29 VAL N N 22 125.881 125.881 122.074 3.807 17827
1116 1 3 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.456 -0.086 17827
1117 1 3 . 1 1 29 29 VAL C C 22 173.953 173.953 174.597 -0.644 17827
1118 1 3 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.202 0.238 17827
1119 1 3 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.253 -0.903 17827
1120 1 3 . 1 1 29 29 VAL H H 22 8.865 8.865 8.421 0.444 17827
1121 1 3 . 1 1 30 30 HIS N N 23 126.560 126.560 123.358 3.202 17827
1122 1 3 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.805 0.415 17827
1123 1 3 . 1 1 30 30 HIS C C 23 174.596 174.596 173.951 0.645 17827
1124 1 3 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.379 -0.129 17827
1125 1 3 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.102 -2.552 17827
1126 1 3 . 1 1 30 30 HIS H H 23 8.810 8.810 8.544 0.266 17827
1127 1 3 . 1 1 31 31 VAL N N 24 130.587 130.587 127.015 3.572 17827
1128 1 3 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.663 0.567 17827
1129 1 3 . 1 1 31 31 VAL C C 24 177.426 177.426 177.017 0.409 17827
1130 1 3 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.398 -5.867 17827
1131 1 3 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.597 0.443 17827
1132 1 3 . 1 1 31 31 VAL H H 24 9.043 9.043 8.578 0.465 17827
1133 1 3 . 1 1 32 32 THR N N 25 122.484 122.484 121.106 1.378 17827
1134 1 3 . 1 1 32 32 THR HA H 25 3.970 3.970 4.276 -0.306 17827
1135 1 3 . 1 1 32 32 THR C C 25 177.437 177.437 175.449 1.988 17827
1136 1 3 . 1 1 32 32 THR CA C 25 66.470 66.470 65.224 1.246 17827
1137 1 3 . 1 1 32 32 THR CB C 25 68.220 68.220 69.454 -1.234 17827
1138 1 3 . 1 1 32 32 THR H H 25 8.245 8.245 8.801 -0.556 17827
1139 1 3 . 1 1 34 34 VAL N N 27 114.090 114.090 116.205 -2.115 17827
1140 1 3 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.105 0.395 17827
1141 1 3 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.341 -8.121 17827
1142 1 3 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.230 -7.170 17827
1143 1 3 . 1 1 34 34 VAL H H 27 6.977 6.977 7.330 -0.353 17827
1144 1 3 . 1 1 35 35 ASN N N 28 116.829 116.829 116.397 0.432 17827
1145 1 3 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.460 -0.161 17827
1146 1 3 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.312 -0.662 17827
1147 1 3 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.265 -0.155 17827
1148 1 3 . 1 1 35 35 ASN H H 28 7.897 7.897 7.986 -0.089 17827
1149 1 3 . 1 1 36 36 ARG N N 29 114.310 114.310 116.948 -2.638 17827
1150 1 3 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.692 0.008 17827
1151 1 3 . 1 1 36 36 ARG C C 29 173.347 173.347 173.892 -0.545 17827
1152 1 3 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.578 0.322 17827
1153 1 3 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.285 2.415 17827
1154 1 3 . 1 1 36 36 ARG H H 29 6.787 6.787 7.653 -0.866 17827
1155 1 3 . 1 1 37 37 ASP N N 30 124.071 124.071 117.854 6.217 17827
1156 1 3 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.681 0.794 17827
1157 1 3 . 1 1 37 37 ASP C C 30 175.354 175.354 174.739 0.615 17827
1158 1 3 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.283 0.377 17827
1159 1 3 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.814 -0.554 17827
1160 1 3 . 1 1 37 37 ASP H H 30 8.760 8.760 8.345 0.415 17827
1161 1 3 . 1 1 38 38 VAL N N 31 123.300 123.300 118.346 4.954 17827
1162 1 3 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.508 -0.238 17827
1163 1 3 . 1 1 38 38 VAL C C 31 174.203 174.203 174.500 -0.297 17827
1164 1 3 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.879 0.821 17827
1165 1 3 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.186 -1.566 17827
1166 1 3 . 1 1 38 38 VAL H H 31 9.187 9.187 7.995 1.192 17827
1167 1 3 . 1 1 39 39 THR N N 32 119.766 119.766 114.095 5.671 17827
1168 1 3 . 1 1 39 39 THR HA H 32 5.095 5.095 4.964 0.131 17827
1169 1 3 . 1 1 39 39 THR C C 32 173.547 173.547 173.115 0.432 17827
1170 1 3 . 1 1 39 39 THR CA C 32 60.550 60.550 60.228 0.322 17827
1171 1 3 . 1 1 39 39 THR CB C 32 70.170 70.170 71.035 -0.865 17827
1172 1 3 . 1 1 39 39 THR H H 32 8.360 8.360 8.106 0.254 17827
1173 1 3 . 1 1 40 40 LEU N N 33 124.522 124.522 122.623 1.899 17827
1174 1 3 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.625 -0.035 17827
1175 1 3 . 1 1 40 40 LEU C C 33 174.691 174.691 175.726 -1.035 17827
1176 1 3 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.705 -1.125 17827
1177 1 3 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.294 1.117 17827
1178 1 3 . 1 1 40 40 LEU H H 33 8.750 8.750 8.139 0.611 17827
1179 1 3 . 1 1 41 41 ARG N N 34 122.712 122.712 124.786 -2.074 17827
1180 1 3 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.684 -0.004 17827
1181 1 3 . 1 1 41 41 ARG C C 34 175.700 175.700 174.413 1.287 17827
1182 1 3 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.051 0.369 17827
1183 1 3 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.507 -0.007 17827
1184 1 3 . 1 1 41 41 ARG H H 34 8.345 8.345 8.765 -0.420 17827
1185 1 3 . 1 1 42 42 VAL N N 35 117.728 117.728 117.541 0.187 17827
1186 1 3 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.535 -0.070 17827
1187 1 3 . 1 1 42 42 VAL C C 35 173.184 173.184 173.764 -0.580 17827
1188 1 3 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.160 -0.490 17827
1189 1 3 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.471 0.579 17827
1190 1 3 . 1 1 42 42 VAL H H 35 8.640 8.640 7.882 0.758 17827
1191 1 3 . 1 1 43 43 THR N N 36 104.359 104.359 108.762 -4.403 17827
1192 1 3 . 1 1 43 43 THR HA H 36 4.660 4.660 2.380 2.280 17827
1193 1 3 . 1 1 43 43 THR C C 36 174.862 174.862 174.851 0.011 17827
1194 1 3 . 1 1 43 43 THR CA C 36 59.010 59.010 59.565 -0.555 17827
1195 1 3 . 1 1 43 43 THR CB C 36 71.570 71.570 71.189 0.381 17827
1196 1 3 . 1 1 43 43 THR H H 36 6.220 6.220 7.846 -1.626 17827
1197 1 3 . 1 1 44 44 GLY N N 37 105.946 105.946 107.119 -1.173 17827
1198 1 3 . 1 1 44 44 GLY C C 37 173.394 173.394 174.497 -1.103 17827
1199 1 3 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.620 0.210 17827
1200 1 3 . 1 1 44 44 GLY H H 37 9.160 9.160 8.393 0.767 17827
1201 1 3 . 1 1 45 45 GLU N N 38 113.875 113.875 117.228 -3.353 17827
1202 1 3 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.229 0.061 17827
1203 1 3 . 1 1 45 45 GLU C C 38 176.167 176.167 176.380 -0.213 17827
1204 1 3 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.029 -0.529 17827
1205 1 3 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.857 1.093 17827
1206 1 3 . 1 1 45 45 GLU H H 38 7.500 7.500 7.257 0.243 17827
1207 1 3 . 1 1 46 46 VAL N N 39 121.577 121.577 122.217 -0.640 17827
1208 1 3 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.919 -0.099 17827
1209 1 3 . 1 1 46 46 VAL C C 39 174.651 174.651 175.093 -0.442 17827
1210 1 3 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.913 2.007 17827
1211 1 3 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.932 -1.342 17827
1212 1 3 . 1 1 46 46 VAL H H 39 7.260 7.260 7.690 -0.430 17827
1213 1 3 . 1 1 47 47 HIS N N 40 123.391 123.391 126.609 -3.218 17827
1214 1 3 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.651 0.561 17827
1215 1 3 . 1 1 47 47 HIS C C 40 177.440 177.440 176.400 1.040 17827
1216 1 3 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.850 -1.190 17827
1217 1 3 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.825 0.085 17827
1218 1 3 . 1 1 47 47 HIS H H 40 8.285 8.285 8.414 -0.129 17827
1219 1 3 . 1 1 48 48 ILE N N 41 124.071 124.071 124.420 -0.349 17827
1220 1 3 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.820 -0.290 17827
1221 1 3 . 1 1 48 48 ILE C C 41 178.941 178.941 177.597 1.344 17827
1222 1 3 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.572 -3.242 17827
1223 1 3 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.875 -3.645 17827
1224 1 3 . 1 1 48 48 ILE H H 41 8.863 8.863 8.367 0.496 17827
1225 1 3 . 1 1 49 49 GLY N N 42 106.853 106.853 104.448 2.405 17827
1226 1 3 . 1 1 49 49 GLY C C 42 175.669 175.669 175.374 0.295 17827
1227 1 3 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.222 -0.902 17827
1228 1 3 . 1 1 49 49 GLY H H 42 9.720 9.720 8.708 1.012 17827
1229 1 3 . 1 1 50 50 GLY N N 43 109.571 109.571 109.125 0.446 17827
1230 1 3 . 1 1 50 50 GLY C C 43 175.847 175.847 175.640 0.207 17827
1231 1 3 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.679 1.321 17827
1232 1 3 . 1 1 50 50 GLY H H 43 6.950 6.950 8.179 -1.229 17827
1233 1 3 . 1 1 51 51 VAL N N 44 123.163 123.163 124.730 -1.567 17827
1234 1 3 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.663 -0.548 17827
1235 1 3 . 1 1 51 51 VAL C C 44 176.804 176.804 178.071 -1.267 17827
1236 1 3 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.968 -0.308 17827
1237 1 3 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.761 -1.031 17827
1238 1 3 . 1 1 51 51 VAL H H 44 7.860 7.860 8.724 -0.864 17827
1239 1 3 . 1 1 52 52 MET N N 45 115.913 115.913 117.378 -1.465 17827
1240 1 3 . 1 1 52 52 MET HA H 45 3.410 3.410 4.268 -0.858 17827
1241 1 3 . 1 1 52 52 MET C C 45 176.881 176.881 178.283 -1.402 17827
1242 1 3 . 1 1 52 52 MET CA C 45 59.830 59.830 59.618 0.212 17827
1243 1 3 . 1 1 52 52 MET CB C 45 32.310 32.310 31.852 0.458 17827
1244 1 3 . 1 1 52 52 MET H H 45 7.940 7.940 7.788 0.152 17827
1245 1 3 . 1 1 53 53 LEU N N 46 118.291 118.291 121.688 -3.397 17827
1246 1 3 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.060 -0.120 17827
1247 1 3 . 1 1 53 53 LEU C C 46 179.178 179.178 179.338 -0.160 17827
1248 1 3 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.103 0.397 17827
1249 1 3 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.089 0.841 17827
1250 1 3 . 1 1 53 53 LEU H H 46 7.550 7.550 7.762 -0.212 17827
1251 1 3 . 1 1 54 54 LYS N N 47 118.142 118.142 119.258 -1.116 17827
1252 1 3 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.203 -0.333 17827
1253 1 3 . 1 1 54 54 LYS C C 47 178.616 178.616 179.354 -0.738 17827
1254 1 3 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.116 -1.136 17827
1255 1 3 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.076 0.244 17827
1256 1 3 . 1 1 54 54 LYS H H 47 7.665 7.665 8.506 -0.841 17827
1257 1 3 . 1 1 55 55 LEU N N 48 119.385 119.385 120.590 -1.205 17827
1258 1 3 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.322 -0.752 17827
1259 1 3 . 1 1 55 55 LEU C C 48 177.405 177.405 177.979 -0.574 17827
1260 1 3 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.947 -0.157 17827
1261 1 3 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.965 -0.375 17827
1262 1 3 . 1 1 55 55 LEU H H 48 7.975 7.975 7.886 0.089 17827
1263 1 3 . 1 1 56 56 VAL N N 49 116.141 116.141 120.035 -3.894 17827
1264 1 3 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.702 -0.712 17827
1265 1 3 . 1 1 56 56 VAL C C 49 178.564 178.564 178.331 0.233 17827
1266 1 3 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.111 -0.801 17827
1267 1 3 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.792 -0.492 17827
1268 1 3 . 1 1 56 56 VAL H H 49 7.615 7.615 9.067 -1.452 17827
1269 1 3 . 1 1 57 57 GLU N N 50 118.631 118.631 117.696 0.935 17827
1270 1 3 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.088 -0.123 17827
1271 1 3 . 1 1 57 57 GLU C C 50 178.030 178.030 177.907 0.123 17827
1272 1 3 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.932 -0.432 17827
1273 1 3 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.642 -0.032 17827
1274 1 3 . 1 1 57 57 GLU H H 50 7.575 7.575 8.732 -1.157 17827
1275 1 3 . 1 1 58 58 LYS N N 51 117.053 117.053 118.205 -1.152 17827
1276 1 3 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.046 0.084 17827
1277 1 3 . 1 1 58 58 LYS C C 51 176.956 176.956 178.274 -1.318 17827
1278 1 3 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.471 -1.811 17827
1279 1 3 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.877 -0.217 17827
1280 1 3 . 1 1 58 58 LYS H H 51 7.490 7.490 7.548 -0.058 17827
1281 1 3 . 1 1 59 59 LEU N N 52 119.460 119.460 118.946 0.514 17827
1282 1 3 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.120 0.002 17827
1283 1 3 . 1 1 59 59 LEU C C 52 176.645 176.645 176.954 -0.309 17827
1284 1 3 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.452 1.208 17827
1285 1 3 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.200 0.500 17827
1286 1 3 . 1 1 59 59 LEU H H 52 7.470 7.470 7.969 -0.499 17827
1287 1 3 . 1 1 62 62 LYS C C 55 175.670 175.670 176.530 -0.860 17827
1288 1 3 . 1 1 63 63 LYS N N 56 122.430 122.430 121.723 0.707 17827
1289 1 3 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.358 -0.328 17827
1290 1 3 . 1 1 63 63 LYS C C 56 172.850 172.850 175.894 -3.044 17827
1291 1 3 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.384 -1.854 17827
1292 1 3 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.106 1.334 17827
1293 1 3 . 1 1 63 63 LYS H H 56 7.245 7.245 7.506 -0.261 17827
1294 1 3 . 1 1 64 64 ASP N N 57 118.867 118.867 123.199 -4.332 17827
1295 1 3 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.935 0.595 17827
1296 1 3 . 1 1 64 64 ASP C C 57 176.710 176.710 175.620 1.090 17827
1297 1 3 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.127 -1.627 17827
1298 1 3 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.639 -0.319 17827
1299 1 3 . 1 1 64 64 ASP H H 57 7.867 7.867 8.025 -0.158 17827
1300 1 3 . 1 1 65 65 TRP N N 58 128.827 128.827 121.293 7.534 17827
1301 1 3 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.703 -0.163 17827
1302 1 3 . 1 1 65 65 TRP C C 58 178.390 178.390 176.964 1.426 17827
1303 1 3 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.066 -6.206 17827
1304 1 3 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.159 0.261 17827
1305 1 3 . 1 1 65 65 TRP H H 58 8.790 8.790 7.842 0.948 17827
1306 1 3 . 1 1 66 66 SER N N 59 117.724 117.724 113.898 3.826 17827
1307 1 3 . 1 1 66 66 SER HA H 59 4.143 4.143 4.501 -0.358 17827
1308 1 3 . 1 1 66 66 SER C C 59 174.471 174.471 175.121 -0.650 17827
1309 1 3 . 1 1 66 66 SER CA C 59 62.350 62.350 59.739 2.611 17827
1310 1 3 . 1 1 66 66 SER CB C 59 63.110 63.110 63.249 -0.140 17827
1311 1 3 . 1 1 66 66 SER H H 59 8.637 8.637 8.005 0.632 17827
1312 1 3 . 1 1 67 67 ASP N N 60 121.042 121.042 121.477 -0.435 17827
1313 1 3 . 1 1 67 67 ASP C C 60 176.206 176.206 176.620 -0.414 17827
1314 1 3 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.017 1.543 17827
1315 1 3 . 1 1 67 67 ASP H H 60 8.895 8.895 8.531 0.364 17827
1316 1 3 . 1 1 68 68 HIS N N 61 121.519 121.519 117.190 4.329 17827
1317 1 3 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.450 0.040 17827
1318 1 3 . 1 1 68 68 HIS C C 61 174.546 174.546 174.166 0.380 17827
1319 1 3 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.888 2.052 17827
1320 1 3 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.955 8.455 17827
1321 1 3 . 1 1 68 68 HIS H H 61 7.958 7.958 7.477 0.481 17827
1322 1 3 . 1 1 69 69 ALA N N 62 122.256 122.256 117.814 4.442 17827
1323 1 3 . 1 1 69 69 ALA C C 62 175.294 175.294 174.584 0.710 17827
1324 1 3 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.441 0.029 17827
1325 1 3 . 1 1 69 69 ALA H H 62 8.575 8.575 8.546 0.029 17827
1326 1 3 . 1 1 70 70 LEU N N 63 118.904 118.904 120.267 -1.363 17827
1327 1 3 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.963 0.691 17827
1328 1 3 . 1 1 70 70 LEU C C 63 174.445 174.445 176.499 -2.054 17827
1329 1 3 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.118 0.812 17827
1330 1 3 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.788 1.512 17827
1331 1 3 . 1 1 70 70 LEU H H 63 9.150 9.150 8.676 0.474 17827
1332 1 3 . 1 1 71 71 TRP N N 64 125.367 125.367 126.817 -1.450 17827
1333 1 3 . 1 1 71 71 TRP C C 64 174.010 174.010 175.428 -1.418 17827
1334 1 3 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.966 1.244 17827
1335 1 3 . 1 1 71 71 TRP H H 64 9.590 9.590 8.558 1.032 17827
1336 1 3 . 1 1 72 72 TRP N N 65 129.982 129.982 128.987 0.995 17827
1337 1 3 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.886 0.094 17827
1338 1 3 . 1 1 72 72 TRP C C 65 174.335 174.335 176.426 -2.091 17827
1339 1 3 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.928 -2.488 17827
1340 1 3 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.340 0.149 17827
1341 1 3 . 1 1 72 72 TRP H H 65 8.277 8.277 9.124 -0.847 17827
1342 1 3 . 1 1 73 73 GLU N N 66 129.112 129.112 128.225 0.887 17827
1343 1 3 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.784 -0.484 17827
1344 1 3 . 1 1 73 73 GLU C C 66 178.595 178.595 178.086 0.509 17827
1345 1 3 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.758 0.162 17827
1346 1 3 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.245 -0.185 17827
1347 1 3 . 1 1 73 73 GLU H H 66 8.969 8.969 8.778 0.191 17827
1348 1 3 . 1 1 74 74 LYS N N 67 117.492 117.492 118.814 -1.322 17827
1349 1 3 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.741 -0.039 17827
1350 1 3 . 1 1 74 74 LYS C C 67 176.361 176.361 178.101 -1.740 17827
1351 1 3 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.881 -0.221 17827
1352 1 3 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.473 0.547 17827
1353 1 3 . 1 1 74 74 LYS H H 67 7.860 7.860 8.119 -0.259 17827
1354 1 3 . 1 1 75 75 LYS N N 68 121.233 121.233 114.777 6.456 17827
1355 1 3 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.216 -0.281 17827
1356 1 3 . 1 1 75 75 LYS C C 68 174.183 174.183 175.898 -1.715 17827
1357 1 3 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.501 -2.101 17827
1358 1 3 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.824 -0.624 17827
1359 1 3 . 1 1 75 75 LYS H H 68 7.500 7.500 7.064 0.436 17827
1360 1 3 . 1 1 76 76 ARG N N 69 121.125 121.125 116.768 4.357 17827
1361 1 3 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.018 -1.128 17827
1362 1 3 . 1 1 76 76 ARG C C 69 173.984 173.984 175.876 -1.892 17827
1363 1 3 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.278 -0.962 17827
1364 1 3 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.886 0.204 17827
1365 1 3 . 1 1 76 76 ARG H H 69 7.500 7.500 8.315 -0.815 17827
1366 1 3 . 1 1 77 77 THR N N 70 110.478 110.478 112.296 -1.818 17827
1367 1 3 . 1 1 77 77 THR HA H 70 4.650 4.650 3.557 1.093 17827
1368 1 3 . 1 1 77 77 THR C C 70 171.846 171.846 172.375 -0.529 17827
1369 1 3 . 1 1 77 77 THR CA C 70 61.630 61.630 59.448 2.182 17827
1370 1 3 . 1 1 77 77 THR CB C 70 72.210 72.210 70.257 1.953 17827
1371 1 3 . 1 1 77 77 THR H H 70 6.280 6.280 7.645 -1.365 17827
1372 1 3 . 1 1 78 78 TRP N N 71 127.244 127.244 119.094 8.150 17827
1373 1 3 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.515 -0.765 17827
1374 1 3 . 1 1 78 78 TRP C C 71 177.303 177.303 175.859 1.444 17827
1375 1 3 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.544 0.696 17827
1376 1 3 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.526 -2.026 17827
1377 1 3 . 1 1 78 78 TRP H H 71 8.795 8.795 8.057 0.738 17827
1378 1 3 . 1 1 79 79 LEU N N 72 125.202 125.202 122.404 2.798 17827
1379 1 3 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.894 -0.394 17827
1380 1 3 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827
1381 1 3 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.332 -1.822 17827
1382 1 3 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.249 -3.009 17827
1383 1 3 . 1 1 79 79 LEU H H 72 9.175 9.175 8.347 0.828 17827
1384 1 3 . 1 1 80 80 LEU N N 73 119.170 119.170 124.064 -4.894 17827
1385 1 3 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.415 -0.035 17827
1386 1 3 . 1 1 80 80 LEU C C 73 178.139 178.139 176.737 1.402 17827
1387 1 3 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.614 -0.914 17827
1388 1 3 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.590 -0.420 17827
1389 1 3 . 1 1 80 80 LEU H H 73 7.280 7.280 8.426 -1.146 17827
1390 1 3 . 1 1 81 81 LYS N N 74 119.766 119.766 118.171 1.595 17827
1391 1 3 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.246 0.189 17827
1392 1 3 . 1 1 81 81 LYS C C 74 176.601 176.601 176.963 -0.362 17827
1393 1 3 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.554 -1.895 17827
1394 1 3 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.240 -4.700 17827
1395 1 3 . 1 1 81 81 LYS H H 74 7.865 7.865 7.687 0.178 17827
1396 1 3 . 1 1 82 82 THR N N 75 115.636 115.636 114.372 1.264 17827
1397 1 3 . 1 1 82 82 THR HA H 75 3.800 3.800 4.322 -0.522 17827
1398 1 3 . 1 1 82 82 THR C C 75 174.806 174.806 175.662 -0.856 17827
1399 1 3 . 1 1 82 82 THR CA C 75 64.650 64.650 64.251 0.399 17827
1400 1 3 . 1 1 82 82 THR CB C 75 68.260 68.260 68.803 -0.543 17827
1401 1 3 . 1 1 82 82 THR H H 75 7.910 7.910 8.608 -0.698 17827
1402 1 3 . 1 1 83 83 HIS N N 76 116.767 116.767 119.006 -2.239 17827
1403 1 3 . 1 1 83 83 HIS C C 76 176.370 176.370 174.729 1.641 17827
1404 1 3 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.766 0.444 17827
1405 1 3 . 1 1 83 83 HIS H H 76 8.965 8.965 8.388 0.577 17827
1406 1 3 . 1 1 84 84 TRP N N 77 123.905 123.905 119.026 4.879 17827
1407 1 3 . 1 1 84 84 TRP C C 77 175.584 175.584 175.673 -0.089 17827
1408 1 3 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.935 2.455 17827
1409 1 3 . 1 1 84 84 TRP H H 77 7.635 7.635 7.540 0.095 17827
1410 1 3 . 1 1 85 85 THR N N 78 108.440 108.440 114.973 -6.533 17827
1411 1 3 . 1 1 85 85 THR HA H 78 4.900 4.900 4.214 0.686 17827
1412 1 3 . 1 1 85 85 THR C C 78 175.691 175.691 175.793 -0.102 17827
1413 1 3 . 1 1 85 85 THR CA C 78 59.500 59.500 63.673 -4.173 17827
1414 1 3 . 1 1 85 85 THR CB C 78 70.600 70.600 69.487 1.113 17827
1415 1 3 . 1 1 85 85 THR H H 78 7.030 7.030 7.796 -0.766 17827
1416 1 3 . 1 1 86 86 LEU N N 79 119.766 119.766 121.654 -1.888 17827
1417 1 3 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.049 -0.009 17827
1418 1 3 . 1 1 86 86 LEU C C 79 179.734 179.734 179.117 0.617 17827
1419 1 3 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.573 -0.823 17827
1420 1 3 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.472 -1.022 17827
1421 1 3 . 1 1 86 86 LEU H H 79 8.045 8.045 8.463 -0.418 17827
1422 1 3 . 1 1 87 87 ASP N N 80 118.407 118.407 118.121 0.286 17827
1423 1 3 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.346 0.094 17827
1424 1 3 . 1 1 87 87 ASP C C 80 179.152 179.152 178.114 1.038 17827
1425 1 3 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.045 0.275 17827
1426 1 3 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.629 -0.309 17827
1427 1 3 . 1 1 87 87 ASP H H 80 8.935 8.935 8.863 0.072 17827
1428 1 3 . 1 1 88 88 LYS N N 81 123.300 123.300 118.806 4.494 17827
1429 1 3 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.907 -0.207 17827
1430 1 3 . 1 1 88 88 LYS C C 81 178.721 178.721 178.171 0.550 17827
1431 1 3 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.051 -0.031 17827
1432 1 3 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.092 -0.452 17827
1433 1 3 . 1 1 88 88 LYS H H 81 8.055 8.055 7.880 0.175 17827
1434 1 3 . 1 1 89 89 TYR N N 82 115.690 115.690 117.402 -1.712 17827
1435 1 3 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.230 0.350 17827
1436 1 3 . 1 1 89 89 TYR C C 82 176.164 176.164 175.619 0.545 17827
1437 1 3 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.405 2.345 17827
1438 1 3 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.177 1.573 17827
1439 1 3 . 1 1 89 89 TYR H H 82 7.730 7.730 7.723 0.007 17827
1440 1 3 . 1 1 90 90 GLY N N 83 108.212 108.212 106.676 1.536 17827
1441 1 3 . 1 1 90 90 GLY C C 83 174.555 174.555 174.480 0.075 17827
1442 1 3 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.860 0.650 17827
1443 1 3 . 1 1 90 90 GLY H H 83 8.030 8.030 7.404 0.626 17827
1444 1 3 . 1 1 91 91 ILE N N 84 122.960 122.960 120.466 2.494 17827
1445 1 3 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.114 -0.744 17827
1446 1 3 . 1 1 91 91 ILE C C 84 173.611 173.611 174.964 -1.353 17827
1447 1 3 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.292 0.408 17827
1448 1 3 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.066 -1.456 17827
1449 1 3 . 1 1 91 91 ILE H H 84 7.850 7.850 7.934 -0.084 17827
1450 1 3 . 1 1 92 92 GLN N N 85 125.429 125.429 124.098 1.331 17827
1451 1 3 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.610 0.270 17827
1452 1 3 . 1 1 92 92 GLN C C 85 174.756 174.756 174.961 -0.205 17827
1453 1 3 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.624 -0.904 17827
1454 1 3 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.856 0.294 17827
1455 1 3 . 1 1 92 92 GLN H H 85 7.700 7.700 8.047 -0.347 17827
1456 1 3 . 1 1 93 93 ALA N N 86 118.217 118.217 120.833 -2.616 17827
1457 1 3 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.428 -0.628 17827
1458 1 3 . 1 1 93 93 ALA C C 86 177.201 177.201 177.406 -0.205 17827
1459 1 3 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.253 0.827 17827
1460 1 3 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.805 -0.395 17827
1461 1 3 . 1 1 93 93 ALA H H 86 6.886 6.886 8.062 -1.176 17827
1462 1 3 . 1 1 94 94 ASP N N 87 113.647 113.647 117.611 -3.964 17827
1463 1 3 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.536 -0.116 17827
1464 1 3 . 1 1 94 94 ASP C C 87 176.218 176.218 175.203 1.015 17827
1465 1 3 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.823 0.237 17827
1466 1 3 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.869 -1.269 17827
1467 1 3 . 1 1 94 94 ASP H H 87 8.223 8.223 8.014 0.209 17827
1468 1 3 . 1 1 95 95 ALA N N 88 124.145 124.145 122.835 1.310 17827
1469 1 3 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.574 -0.268 17827
1470 1 3 . 1 1 95 95 ALA C C 88 176.630 176.630 176.470 0.160 17827
1471 1 3 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.748 1.572 17827
1472 1 3 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.567 0.453 17827
1473 1 3 . 1 1 95 95 ALA H H 88 7.941 7.941 7.117 0.824 17827
1474 1 3 . 1 1 96 96 LYS N N 89 120.897 120.897 126.410 -5.513 17827
1475 1 3 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.832 -0.006 17827
1476 1 3 . 1 1 96 96 LYS C C 89 176.161 176.161 176.157 0.004 17827
1477 1 3 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.086 -0.350 17827
1478 1 3 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.233 0.157 17827
1479 1 3 . 1 1 96 96 LYS H H 89 8.500 8.500 8.613 -0.113 17827
1480 1 3 . 1 1 97 97 LEU N N 90 122.960 122.960 124.246 -1.286 17827
1481 1 3 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.407 0.668 17827
1482 1 3 . 1 1 97 97 LEU C C 90 176.394 176.394 177.198 -0.804 17827
1483 1 3 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.550 -1.490 17827
1484 1 3 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.070 1.780 17827
1485 1 3 . 1 1 97 97 LEU H H 90 8.566 8.566 8.867 -0.301 17827
1486 1 3 . 1 1 98 98 GLN N N 91 119.538 119.538 116.099 3.439 17827
1487 1 3 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.909 0.801 17827
1488 1 3 . 1 1 98 98 GLN C C 91 174.144 174.144 174.573 -0.429 17827
1489 1 3 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.658 -0.298 17827
1490 1 3 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.954 -0.664 17827
1491 1 3 . 1 1 98 98 GLN H H 91 9.060 9.060 8.136 0.924 17827
1492 1 3 . 1 1 99 99 PHE N N 92 125.674 125.674 120.524 5.150 17827
1493 1 3 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.438 0.262 17827
1494 1 3 . 1 1 99 99 PHE C C 92 174.537 174.537 173.910 0.627 17827
1495 1 3 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.482 -2.292 17827
1496 1 3 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.522 -2.442 17827
1497 1 3 . 1 1 99 99 PHE H H 92 9.290 9.290 9.791 -0.501 17827
1498 1 3 . 1 1 100 100 THR N N 93 124.543 124.543 118.412 6.131 17827
1499 1 3 . 1 1 100 100 THR HA H 93 5.100 5.100 5.169 -0.069 17827
1500 1 3 . 1 1 100 100 THR C C 93 180.164 180.164 171.932 8.232 17827
1501 1 3 . 1 1 100 100 THR CA C 93 58.830 58.830 59.496 -0.666 17827
1502 1 3 . 1 1 100 100 THR CB C 93 73.610 73.610 71.197 2.413 17827
1503 1 3 . 1 1 100 100 THR H H 93 8.945 8.945 8.362 0.583 17827
1504 1 4 . 1 1 9 9 ALA N N 2 124.336 124.336 124.115 0.221 17827
1505 1 4 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.555 -0.345 17827
1506 1 4 . 1 1 9 9 ALA C C 2 177.598 177.598 175.466 2.132 17827
1507 1 4 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.564 0.876 17827
1508 1 4 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.723 -0.693 17827
1509 1 4 . 1 1 9 9 ALA H H 2 8.018 8.018 8.220 -0.202 17827
1510 1 4 . 1 1 10 10 LEU N N 3 121.125 121.125 122.111 -0.986 17827
1511 1 4 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.914 0.296 17827
1512 1 4 . 1 1 10 10 LEU C C 3 177.094 177.094 178.478 -1.384 17827
1513 1 4 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.689 -1.369 17827
1514 1 4 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.100 0.070 17827
1515 1 4 . 1 1 10 10 LEU H H 3 8.057 8.057 8.274 -0.217 17827
1516 1 4 . 1 1 11 11 ASP N N 4 119.766 119.766 118.447 1.319 17827
1517 1 4 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.368 0.107 17827
1518 1 4 . 1 1 11 11 ASP C C 4 176.509 176.509 177.804 -1.295 17827
1519 1 4 . 1 1 11 11 ASP CA C 4 54.550 54.550 56.730 -2.180 17827
1520 1 4 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.519 0.431 17827
1521 1 4 . 1 1 11 11 ASP H H 4 8.145 8.145 8.377 -0.232 17827
1522 1 4 . 1 1 12 12 GLY N N 5 108.440 108.440 104.851 3.589 17827
1523 1 4 . 1 1 12 12 GLY C C 5 173.692 173.692 175.555 -1.863 17827
1524 1 4 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.513 0.797 17827
1525 1 4 . 1 1 12 12 GLY H H 5 8.110 8.110 8.054 0.056 17827
1526 1 4 . 1 1 13 13 ILE N N 6 119.766 119.766 119.624 0.142 17827
1527 1 4 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827
1528 1 4 . 1 1 13 13 ILE C C 6 175.525 175.525 177.301 -1.776 17827
1529 1 4 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.483 -3.773 17827
1530 1 4 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.099 0.331 17827
1531 1 4 . 1 1 13 13 ILE H H 6 7.790 7.790 8.000 -0.210 17827
1532 1 4 . 1 1 14 14 ARG N N 7 125.657 125.657 117.197 8.460 17827
1533 1 4 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.392 -0.182 17827
1534 1 4 . 1 1 14 14 ARG C C 7 175.810 175.810 175.275 0.535 17827
1535 1 4 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.737 -1.097 17827
1536 1 4 . 1 1 14 14 ARG CB C 7 30.990 30.990 32.520 -1.530 17827
1537 1 4 . 1 1 14 14 ARG H H 7 8.410 8.410 8.313 0.097 17827
1538 1 4 . 1 1 15 15 MET N N 8 123.598 123.598 111.815 11.783 17827
1539 1 4 . 1 1 15 15 MET HA H 8 4.210 4.210 4.761 -0.551 17827
1540 1 4 . 1 1 15 15 MET C C 8 174.950 174.950 174.408 0.542 17827
1541 1 4 . 1 1 15 15 MET CA C 8 55.330 55.330 56.562 -1.232 17827
1542 1 4 . 1 1 15 15 MET CB C 8 31.730 31.730 30.710 1.020 17827
1543 1 4 . 1 1 15 15 MET H H 8 8.495 8.495 7.652 0.843 17827
1544 1 4 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.300 -0.010 17827
1545 1 4 . 1 1 16 16 PRO C C 9 176.228 176.228 176.521 -0.293 17827
1546 1 4 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.051 -1.681 17827
1547 1 4 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.240 0.580 17827
1548 1 4 . 1 1 17 17 ASP N N 10 117.952 117.952 112.979 4.973 17827
1549 1 4 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.677 -0.257 17827
1550 1 4 . 1 1 17 17 ASP C C 10 176.714 176.714 175.346 1.368 17827
1551 1 4 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.105 0.025 17827
1552 1 4 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.878 -0.448 17827
1553 1 4 . 1 1 17 17 ASP H H 10 8.076 8.076 8.142 -0.066 17827
1554 1 4 . 1 1 18 18 GLY N N 11 108.663 108.663 106.112 2.551 17827
1555 1 4 . 1 1 18 18 GLY C C 11 173.819 173.819 174.208 -0.389 17827
1556 1 4 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.844 -0.544 17827
1557 1 4 . 1 1 18 18 GLY H H 11 8.255 8.255 8.368 -0.113 17827
1558 1 4 . 1 1 19 19 CYS N N 12 118.179 118.179 119.198 -1.019 17827
1559 1 4 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.357 0.193 17827
1560 1 4 . 1 1 19 19 CYS C C 12 174.073 174.073 173.396 0.677 17827
1561 1 4 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.210 -1.790 17827
1562 1 4 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.838 -0.438 17827
1563 1 4 . 1 1 19 19 CYS H H 12 7.850 7.850 8.293 -0.443 17827
1564 1 4 . 1 1 20 20 TYR N N 13 120.897 120.897 116.921 3.976 17827
1565 1 4 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.514 0.036 17827
1566 1 4 . 1 1 20 20 TYR C C 13 176.748 176.748 173.948 2.800 17827
1567 1 4 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.498 0.972 17827
1568 1 4 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.659 -1.449 17827
1569 1 4 . 1 1 20 20 TYR H H 13 8.550 8.550 7.681 0.869 17827
1570 1 4 . 1 1 21 21 ALA N N 14 124.750 124.750 126.280 -1.530 17827
1571 1 4 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.179 0.011 17827
1572 1 4 . 1 1 21 21 ALA C C 14 177.181 177.181 176.767 0.414 17827
1573 1 4 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.645 -0.115 17827
1574 1 4 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.992 0.638 17827
1575 1 4 . 1 1 21 21 ALA H H 14 8.615 8.615 8.526 0.089 17827
1576 1 4 . 1 1 22 22 ASP N N 15 117.500 117.500 122.726 -5.226 17827
1577 1 4 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.715 -0.235 17827
1578 1 4 . 1 1 22 22 ASP C C 15 176.708 176.708 176.743 -0.035 17827
1579 1 4 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.066 -0.566 17827
1580 1 4 . 1 1 22 22 ASP CB C 15 40.730 40.730 43.798 -3.068 17827
1581 1 4 . 1 1 22 22 ASP H H 15 7.960 7.960 8.178 -0.218 17827
1582 1 4 . 1 1 23 23 GLY N N 16 108.891 108.891 110.690 -1.799 17827
1583 1 4 . 1 1 23 23 GLY C C 16 174.373 174.373 173.412 0.961 17827
1584 1 4 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.322 0.048 17827
1585 1 4 . 1 1 23 23 GLY H H 16 8.344 8.344 8.519 -0.175 17827
1586 1 4 . 1 1 24 24 THR N N 17 110.929 110.929 111.971 -1.042 17827
1587 1 4 . 1 1 24 24 THR HA H 17 4.640 4.640 4.299 0.341 17827
1588 1 4 . 1 1 24 24 THR C C 17 173.620 173.620 173.772 -0.152 17827
1589 1 4 . 1 1 24 24 THR CA C 17 60.540 60.540 60.856 -0.316 17827
1590 1 4 . 1 1 24 24 THR CB C 17 72.100 72.100 69.690 2.410 17827
1591 1 4 . 1 1 24 24 THR H H 17 7.850 7.850 7.600 0.250 17827
1592 1 4 . 1 1 25 25 TRP N N 18 117.728 117.728 118.516 -0.788 17827
1593 1 4 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.837 0.108 17827
1594 1 4 . 1 1 25 25 TRP C C 18 174.164 174.164 174.020 0.144 17827
1595 1 4 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.732 -2.112 17827
1596 1 4 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.874 0.776 17827
1597 1 4 . 1 1 25 25 TRP H H 18 8.640 8.640 7.370 1.270 17827
1598 1 4 . 1 1 26 26 GLU N N 19 117.728 117.728 118.716 -0.988 17827
1599 1 4 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.863 -0.012 17827
1600 1 4 . 1 1 26 26 GLU C C 19 174.786 174.786 174.542 0.244 17827
1601 1 4 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.872 0.838 17827
1602 1 4 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.436 -0.936 17827
1603 1 4 . 1 1 26 26 GLU H H 19 8.744 8.744 8.505 0.239 17827
1604 1 4 . 1 1 27 27 LEU N N 20 126.668 126.668 119.514 7.154 17827
1605 1 4 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.809 0.071 17827
1606 1 4 . 1 1 27 27 LEU C C 20 175.123 175.123 175.433 -0.310 17827
1607 1 4 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.659 -0.407 17827
1608 1 4 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.716 -1.436 17827
1609 1 4 . 1 1 27 27 LEU H H 20 8.980 8.980 8.790 0.190 17827
1610 1 4 . 1 1 28 28 SER N N 21 121.804 121.804 117.027 4.777 17827
1611 1 4 . 1 1 28 28 SER HA H 21 4.894 4.894 5.100 -0.206 17827
1612 1 4 . 1 1 28 28 SER C C 21 173.483 173.483 172.962 0.521 17827
1613 1 4 . 1 1 28 28 SER CA C 21 57.880 57.880 57.136 0.744 17827
1614 1 4 . 1 1 28 28 SER CB C 21 63.920 63.920 64.885 -0.966 17827
1615 1 4 . 1 1 28 28 SER H H 21 8.785 8.785 8.612 0.173 17827
1616 1 4 . 1 1 29 29 VAL N N 22 125.881 125.881 121.635 4.246 17827
1617 1 4 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.432 -0.062 17827
1618 1 4 . 1 1 29 29 VAL C C 22 173.953 173.953 174.837 -0.884 17827
1619 1 4 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.382 0.058 17827
1620 1 4 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.392 -1.042 17827
1621 1 4 . 1 1 29 29 VAL H H 22 8.865 8.865 8.360 0.505 17827
1622 1 4 . 1 1 30 30 HIS N N 23 126.560 126.560 123.607 2.953 17827
1623 1 4 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.820 0.400 17827
1624 1 4 . 1 1 30 30 HIS C C 23 174.596 174.596 174.152 0.444 17827
1625 1 4 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.571 -0.321 17827
1626 1 4 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.919 -2.369 17827
1627 1 4 . 1 1 30 30 HIS H H 23 8.810 8.810 8.630 0.180 17827
1628 1 4 . 1 1 31 31 VAL N N 24 130.587 130.587 128.248 2.339 17827
1629 1 4 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.543 0.687 17827
1630 1 4 . 1 1 31 31 VAL C C 24 177.426 177.426 175.761 1.665 17827
1631 1 4 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.970 -6.440 17827
1632 1 4 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.381 -0.341 17827
1633 1 4 . 1 1 31 31 VAL H H 24 9.043 9.043 8.639 0.404 17827
1634 1 4 . 1 1 32 32 THR N N 25 122.484 122.484 119.062 3.422 17827
1635 1 4 . 1 1 32 32 THR HA H 25 3.970 3.970 4.420 -0.450 17827
1636 1 4 . 1 1 32 32 THR C C 25 177.437 177.437 174.761 2.676 17827
1637 1 4 . 1 1 32 32 THR CA C 25 66.470 66.470 62.126 4.344 17827
1638 1 4 . 1 1 32 32 THR CB C 25 68.220 68.220 70.515 -2.295 17827
1639 1 4 . 1 1 32 32 THR H H 25 8.245 8.245 8.618 -0.373 17827
1640 1 4 . 1 1 34 34 VAL N N 27 114.090 114.090 117.808 -3.718 17827
1641 1 4 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.125 0.375 17827
1642 1 4 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.525 -8.305 17827
1643 1 4 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.686 -6.626 17827
1644 1 4 . 1 1 34 34 VAL H H 27 6.977 6.977 7.342 -0.365 17827
1645 1 4 . 1 1 35 35 ASN N N 28 116.829 116.829 115.319 1.510 17827
1646 1 4 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.383 -0.084 17827
1647 1 4 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.251 -0.601 17827
1648 1 4 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.950 -0.840 17827
1649 1 4 . 1 1 35 35 ASN H H 28 7.897 7.897 8.367 -0.470 17827
1650 1 4 . 1 1 36 36 ARG N N 29 114.310 114.310 117.680 -3.370 17827
1651 1 4 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.601 0.099 17827
1652 1 4 . 1 1 36 36 ARG C C 29 173.347 173.347 174.281 -0.934 17827
1653 1 4 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.837 0.063 17827
1654 1 4 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.095 2.605 17827
1655 1 4 . 1 1 36 36 ARG H H 29 6.787 6.787 7.640 -0.853 17827
1656 1 4 . 1 1 37 37 ASP N N 30 124.071 124.071 118.898 5.173 17827
1657 1 4 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.648 0.827 17827
1658 1 4 . 1 1 37 37 ASP C C 30 175.354 175.354 174.214 1.140 17827
1659 1 4 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.411 0.249 17827
1660 1 4 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.764 -0.504 17827
1661 1 4 . 1 1 37 37 ASP H H 30 8.760 8.760 8.405 0.355 17827
1662 1 4 . 1 1 38 38 VAL N N 31 123.300 123.300 118.645 4.655 17827
1663 1 4 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.548 -0.278 17827
1664 1 4 . 1 1 38 38 VAL C C 31 174.203 174.203 174.498 -0.295 17827
1665 1 4 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.152 0.548 17827
1666 1 4 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.352 -1.732 17827
1667 1 4 . 1 1 38 38 VAL H H 31 9.187 9.187 7.972 1.215 17827
1668 1 4 . 1 1 39 39 THR N N 32 119.766 119.766 112.762 7.004 17827
1669 1 4 . 1 1 39 39 THR HA H 32 5.095 5.095 4.906 0.189 17827
1670 1 4 . 1 1 39 39 THR C C 32 173.547 173.547 173.207 0.340 17827
1671 1 4 . 1 1 39 39 THR CA C 32 60.550 60.550 59.823 0.727 17827
1672 1 4 . 1 1 39 39 THR CB C 32 70.170 70.170 71.391 -1.221 17827
1673 1 4 . 1 1 39 39 THR H H 32 8.360 8.360 8.119 0.241 17827
1674 1 4 . 1 1 40 40 LEU N N 33 124.522 124.522 122.692 1.830 17827
1675 1 4 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.668 -0.078 17827
1676 1 4 . 1 1 40 40 LEU C C 33 174.691 174.691 175.886 -1.195 17827
1677 1 4 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.873 -1.293 17827
1678 1 4 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.358 1.052 17827
1679 1 4 . 1 1 40 40 LEU H H 33 8.750 8.750 8.198 0.552 17827
1680 1 4 . 1 1 41 41 ARG N N 34 122.712 122.712 124.371 -1.659 17827
1681 1 4 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.687 -0.007 17827
1682 1 4 . 1 1 41 41 ARG C C 34 175.700 175.700 174.376 1.324 17827
1683 1 4 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.396 0.024 17827
1684 1 4 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.664 -0.164 17827
1685 1 4 . 1 1 41 41 ARG H H 34 8.345 8.345 8.725 -0.380 17827
1686 1 4 . 1 1 42 42 VAL N N 35 117.728 117.728 116.727 1.001 17827
1687 1 4 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.562 -0.097 17827
1688 1 4 . 1 1 42 42 VAL C C 35 173.184 173.184 173.701 -0.517 17827
1689 1 4 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.175 -0.505 17827
1690 1 4 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.282 0.768 17827
1691 1 4 . 1 1 42 42 VAL H H 35 8.640 8.640 7.811 0.829 17827
1692 1 4 . 1 1 43 43 THR N N 36 104.359 104.359 108.892 -4.533 17827
1693 1 4 . 1 1 43 43 THR HA H 36 4.660 4.660 2.470 2.190 17827
1694 1 4 . 1 1 43 43 THR C C 36 174.862 174.862 175.049 -0.187 17827
1695 1 4 . 1 1 43 43 THR CA C 36 59.010 59.010 58.563 0.447 17827
1696 1 4 . 1 1 43 43 THR CB C 36 71.570 71.570 70.856 0.714 17827
1697 1 4 . 1 1 43 43 THR H H 36 6.220 6.220 7.810 -1.590 17827
1698 1 4 . 1 1 44 44 GLY N N 37 105.946 105.946 107.372 -1.426 17827
1699 1 4 . 1 1 44 44 GLY C C 37 173.394 173.394 174.707 -1.313 17827
1700 1 4 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.909 -0.079 17827
1701 1 4 . 1 1 44 44 GLY H H 37 9.160 9.160 8.743 0.417 17827
1702 1 4 . 1 1 45 45 GLU N N 38 113.875 113.875 117.201 -3.326 17827
1703 1 4 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.277 0.013 17827
1704 1 4 . 1 1 45 45 GLU C C 38 176.167 176.167 176.417 -0.250 17827
1705 1 4 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.092 -0.592 17827
1706 1 4 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.831 1.119 17827
1707 1 4 . 1 1 45 45 GLU H H 38 7.500 7.500 7.289 0.211 17827
1708 1 4 . 1 1 46 46 VAL N N 39 121.577 121.577 122.266 -0.689 17827
1709 1 4 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.955 -0.135 17827
1710 1 4 . 1 1 46 46 VAL C C 39 174.651 174.651 175.107 -0.456 17827
1711 1 4 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.856 2.063 17827
1712 1 4 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.952 -1.362 17827
1713 1 4 . 1 1 46 46 VAL H H 39 7.260 7.260 7.767 -0.507 17827
1714 1 4 . 1 1 47 47 HIS N N 40 123.391 123.391 126.735 -3.344 17827
1715 1 4 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.667 0.545 17827
1716 1 4 . 1 1 47 47 HIS C C 40 177.440 177.440 176.383 1.057 17827
1717 1 4 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.575 -0.916 17827
1718 1 4 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.659 0.251 17827
1719 1 4 . 1 1 47 47 HIS H H 40 8.285 8.285 8.434 -0.149 17827
1720 1 4 . 1 1 48 48 ILE N N 41 124.071 124.071 124.238 -0.167 17827
1721 1 4 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.807 -0.277 17827
1722 1 4 . 1 1 48 48 ILE C C 41 178.941 178.941 177.611 1.330 17827
1723 1 4 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.564 -3.234 17827
1724 1 4 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.858 -3.628 17827
1725 1 4 . 1 1 48 48 ILE H H 41 8.863 8.863 8.200 0.663 17827
1726 1 4 . 1 1 49 49 GLY N N 42 106.853 106.853 104.460 2.393 17827
1727 1 4 . 1 1 49 49 GLY C C 42 175.669 175.669 175.364 0.305 17827
1728 1 4 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.179 -0.859 17827
1729 1 4 . 1 1 49 49 GLY H H 42 9.720 9.720 8.681 1.039 17827
1730 1 4 . 1 1 50 50 GLY N N 43 109.571 109.571 108.945 0.626 17827
1731 1 4 . 1 1 50 50 GLY C C 43 175.847 175.847 175.529 0.318 17827
1732 1 4 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.701 1.299 17827
1733 1 4 . 1 1 50 50 GLY H H 43 6.950 6.950 8.260 -1.310 17827
1734 1 4 . 1 1 51 51 VAL N N 44 123.163 123.163 124.086 -0.923 17827
1735 1 4 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.740 -0.625 17827
1736 1 4 . 1 1 51 51 VAL C C 44 176.804 176.804 177.898 -1.094 17827
1737 1 4 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.142 -0.482 17827
1738 1 4 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.016 -1.286 17827
1739 1 4 . 1 1 51 51 VAL H H 44 7.860 7.860 8.641 -0.781 17827
1740 1 4 . 1 1 52 52 MET N N 45 115.913 115.913 117.996 -2.083 17827
1741 1 4 . 1 1 52 52 MET HA H 45 3.410 3.410 4.385 -0.975 17827
1742 1 4 . 1 1 52 52 MET C C 45 176.881 176.881 178.170 -1.289 17827
1743 1 4 . 1 1 52 52 MET CA C 45 59.830 59.830 59.777 0.053 17827
1744 1 4 . 1 1 52 52 MET CB C 45 32.310 32.310 31.896 0.414 17827
1745 1 4 . 1 1 52 52 MET H H 45 7.940 7.940 7.828 0.112 17827
1746 1 4 . 1 1 53 53 LEU N N 46 118.291 118.291 121.964 -3.673 17827
1747 1 4 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.212 -0.272 17827
1748 1 4 . 1 1 53 53 LEU C C 46 179.178 179.178 179.351 -0.173 17827
1749 1 4 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.198 0.302 17827
1750 1 4 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.239 0.692 17827
1751 1 4 . 1 1 53 53 LEU H H 46 7.550 7.550 7.822 -0.272 17827
1752 1 4 . 1 1 54 54 LYS N N 47 118.142 118.142 119.389 -1.247 17827
1753 1 4 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.268 -0.398 17827
1754 1 4 . 1 1 54 54 LYS C C 47 178.616 178.616 179.294 -0.678 17827
1755 1 4 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.201 -1.221 17827
1756 1 4 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.109 0.211 17827
1757 1 4 . 1 1 54 54 LYS H H 47 7.665 7.665 8.725 -1.060 17827
1758 1 4 . 1 1 55 55 LEU N N 48 119.385 119.385 120.559 -1.174 17827
1759 1 4 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.286 -0.716 17827
1760 1 4 . 1 1 55 55 LEU C C 48 177.405 177.405 177.788 -0.383 17827
1761 1 4 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.755 0.035 17827
1762 1 4 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.121 -0.531 17827
1763 1 4 . 1 1 55 55 LEU H H 48 7.975 7.975 7.707 0.268 17827
1764 1 4 . 1 1 56 56 VAL N N 49 116.141 116.141 120.239 -4.098 17827
1765 1 4 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.346 -0.356 17827
1766 1 4 . 1 1 56 56 VAL C C 49 178.564 178.564 178.095 0.469 17827
1767 1 4 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.405 -1.095 17827
1768 1 4 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.522 -0.222 17827
1769 1 4 . 1 1 56 56 VAL H H 49 7.615 7.615 9.023 -1.408 17827
1770 1 4 . 1 1 57 57 GLU N N 50 118.631 118.631 118.508 0.123 17827
1771 1 4 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.194 -0.229 17827
1772 1 4 . 1 1 57 57 GLU C C 50 178.030 178.030 178.489 -0.459 17827
1773 1 4 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.058 -0.558 17827
1774 1 4 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.654 -0.044 17827
1775 1 4 . 1 1 57 57 GLU H H 50 7.575 7.575 8.923 -1.348 17827
1776 1 4 . 1 1 58 58 LYS N N 51 117.053 117.053 119.068 -2.015 17827
1777 1 4 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.019 0.111 17827
1778 1 4 . 1 1 58 58 LYS C C 51 176.956 176.956 179.263 -2.307 17827
1779 1 4 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.776 -2.116 17827
1780 1 4 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.543 0.117 17827
1781 1 4 . 1 1 58 58 LYS H H 51 7.490 7.490 7.428 0.062 17827
1782 1 4 . 1 1 59 59 LEU N N 52 119.460 119.460 118.525 0.935 17827
1783 1 4 . 1 1 59 59 LEU HA H 52 4.122 4.122 3.924 0.198 17827
1784 1 4 . 1 1 59 59 LEU C C 52 176.645 176.645 178.146 -1.501 17827
1785 1 4 . 1 1 59 59 LEU CA C 52 56.660 56.660 57.330 -0.670 17827
1786 1 4 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.054 0.646 17827
1787 1 4 . 1 1 59 59 LEU H H 52 7.470 7.470 8.132 -0.662 17827
1788 1 4 . 1 1 62 62 LYS C C 55 175.670 175.670 176.008 -0.338 17827
1789 1 4 . 1 1 63 63 LYS N N 56 122.430 122.430 121.578 0.852 17827
1790 1 4 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.416 -0.386 17827
1791 1 4 . 1 1 63 63 LYS C C 56 172.850 172.850 175.982 -3.132 17827
1792 1 4 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.722 -1.192 17827
1793 1 4 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.164 1.276 17827
1794 1 4 . 1 1 63 63 LYS H H 56 7.245 7.245 7.556 -0.311 17827
1795 1 4 . 1 1 64 64 ASP N N 57 118.867 118.867 122.987 -4.120 17827
1796 1 4 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.141 0.389 17827
1797 1 4 . 1 1 64 64 ASP C C 57 176.710 176.710 175.513 1.197 17827
1798 1 4 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.881 -2.381 17827
1799 1 4 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.682 -0.362 17827
1800 1 4 . 1 1 64 64 ASP H H 57 7.867 7.867 8.005 -0.138 17827
1801 1 4 . 1 1 65 65 TRP N N 58 128.827 128.827 121.911 6.916 17827
1802 1 4 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.727 -0.187 17827
1803 1 4 . 1 1 65 65 TRP C C 58 178.390 178.390 177.613 0.777 17827
1804 1 4 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.115 -6.255 17827
1805 1 4 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.513 -0.093 17827
1806 1 4 . 1 1 65 65 TRP H H 58 8.790 8.790 7.966 0.824 17827
1807 1 4 . 1 1 66 66 SER N N 59 117.724 117.724 114.204 3.520 17827
1808 1 4 . 1 1 66 66 SER HA H 59 4.143 4.143 4.468 -0.325 17827
1809 1 4 . 1 1 66 66 SER C C 59 174.471 174.471 175.064 -0.593 17827
1810 1 4 . 1 1 66 66 SER CA C 59 62.350 62.350 59.452 2.898 17827
1811 1 4 . 1 1 66 66 SER CB C 59 63.110 63.110 63.280 -0.170 17827
1812 1 4 . 1 1 66 66 SER H H 59 8.637 8.637 8.096 0.541 17827
1813 1 4 . 1 1 67 67 ASP N N 60 121.042 121.042 119.541 1.501 17827
1814 1 4 . 1 1 67 67 ASP C C 60 176.206 176.206 176.665 -0.459 17827
1815 1 4 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.855 1.705 17827
1816 1 4 . 1 1 67 67 ASP H H 60 8.895 8.895 8.288 0.607 17827
1817 1 4 . 1 1 68 68 HIS N N 61 121.519 121.519 117.083 4.436 17827
1818 1 4 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.322 0.168 17827
1819 1 4 . 1 1 68 68 HIS C C 61 174.546 174.546 174.152 0.394 17827
1820 1 4 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.208 1.732 17827
1821 1 4 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.003 8.406 17827
1822 1 4 . 1 1 68 68 HIS H H 61 7.958 7.958 7.391 0.567 17827
1823 1 4 . 1 1 69 69 ALA N N 62 122.256 122.256 118.161 4.095 17827
1824 1 4 . 1 1 69 69 ALA C C 62 175.294 175.294 174.539 0.755 17827
1825 1 4 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.464 0.006 17827
1826 1 4 . 1 1 69 69 ALA H H 62 8.575 8.575 8.635 -0.060 17827
1827 1 4 . 1 1 70 70 LEU N N 63 118.904 118.904 120.202 -1.298 17827
1828 1 4 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.891 0.763 17827
1829 1 4 . 1 1 70 70 LEU C C 63 174.445 174.445 176.466 -2.021 17827
1830 1 4 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.010 0.920 17827
1831 1 4 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.378 1.922 17827
1832 1 4 . 1 1 70 70 LEU H H 63 9.150 9.150 8.612 0.538 17827
1833 1 4 . 1 1 71 71 TRP N N 64 125.367 125.367 126.728 -1.361 17827
1834 1 4 . 1 1 71 71 TRP C C 64 174.010 174.010 175.539 -1.529 17827
1835 1 4 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.940 1.270 17827
1836 1 4 . 1 1 71 71 TRP H H 64 9.590 9.590 8.508 1.082 17827
1837 1 4 . 1 1 72 72 TRP N N 65 129.982 129.982 128.925 1.057 17827
1838 1 4 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.778 0.202 17827
1839 1 4 . 1 1 72 72 TRP C C 65 174.335 174.335 176.415 -2.080 17827
1840 1 4 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.274 -2.834 17827
1841 1 4 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.937 0.553 17827
1842 1 4 . 1 1 72 72 TRP H H 65 8.277 8.277 9.019 -0.742 17827
1843 1 4 . 1 1 73 73 GLU N N 66 129.112 129.112 128.222 0.890 17827
1844 1 4 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.925 -0.625 17827
1845 1 4 . 1 1 73 73 GLU C C 66 178.595 178.595 177.016 1.579 17827
1846 1 4 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.809 1.111 17827
1847 1 4 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.910 0.150 17827
1848 1 4 . 1 1 73 73 GLU H H 66 8.969 8.969 8.639 0.330 17827
1849 1 4 . 1 1 74 74 LYS N N 67 117.492 117.492 120.066 -2.574 17827
1850 1 4 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.889 -0.187 17827
1851 1 4 . 1 1 74 74 LYS C C 67 176.361 176.361 176.899 -0.538 17827
1852 1 4 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.813 -0.153 17827
1853 1 4 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.441 0.579 17827
1854 1 4 . 1 1 74 74 LYS H H 67 7.860 7.860 8.108 -0.248 17827
1855 1 4 . 1 1 75 75 LYS N N 68 121.233 121.233 115.694 5.539 17827
1856 1 4 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.198 -0.263 17827
1857 1 4 . 1 1 75 75 LYS C C 68 174.183 174.183 175.595 -1.412 17827
1858 1 4 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.366 -1.966 17827
1859 1 4 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.174 0.026 17827
1860 1 4 . 1 1 75 75 LYS H H 68 7.500 7.500 7.365 0.135 17827
1861 1 4 . 1 1 76 76 ARG N N 69 121.125 121.125 116.978 4.147 17827
1862 1 4 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.075 -1.185 17827
1863 1 4 . 1 1 76 76 ARG C C 69 173.984 173.984 175.811 -1.827 17827
1864 1 4 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.072 -0.756 17827
1865 1 4 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.900 0.190 17827
1866 1 4 . 1 1 76 76 ARG H H 69 7.500 7.500 8.304 -0.804 17827
1867 1 4 . 1 1 77 77 THR N N 70 110.478 110.478 112.061 -1.583 17827
1868 1 4 . 1 1 77 77 THR HA H 70 4.650 4.650 3.564 1.086 17827
1869 1 4 . 1 1 77 77 THR C C 70 171.846 171.846 172.339 -0.493 17827
1870 1 4 . 1 1 77 77 THR CA C 70 61.630 61.630 59.168 2.462 17827
1871 1 4 . 1 1 77 77 THR CB C 70 72.210 72.210 70.110 2.100 17827
1872 1 4 . 1 1 77 77 THR H H 70 6.280 6.280 7.590 -1.310 17827
1873 1 4 . 1 1 78 78 TRP N N 71 127.244 127.244 119.409 7.835 17827
1874 1 4 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.525 -0.775 17827
1875 1 4 . 1 1 78 78 TRP C C 71 177.303 177.303 175.720 1.583 17827
1876 1 4 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.421 0.819 17827
1877 1 4 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.314 -1.814 17827
1878 1 4 . 1 1 78 78 TRP H H 71 8.795 8.795 7.888 0.907 17827
1879 1 4 . 1 1 79 79 LEU N N 72 125.202 125.202 122.347 2.855 17827
1880 1 4 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.791 -0.291 17827
1881 1 4 . 1 1 79 79 LEU C C 72 175.667 175.667 176.553 -0.886 17827
1882 1 4 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.285 -1.776 17827
1883 1 4 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.289 -3.049 17827
1884 1 4 . 1 1 79 79 LEU H H 72 9.175 9.175 8.267 0.908 17827
1885 1 4 . 1 1 80 80 LEU N N 73 119.170 119.170 124.266 -5.096 17827
1886 1 4 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.412 -0.032 17827
1887 1 4 . 1 1 80 80 LEU C C 73 178.139 178.139 176.705 1.434 17827
1888 1 4 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.551 -0.851 17827
1889 1 4 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.573 -0.403 17827
1890 1 4 . 1 1 80 80 LEU H H 73 7.280 7.280 8.445 -1.165 17827
1891 1 4 . 1 1 81 81 LYS N N 74 119.766 119.766 118.418 1.348 17827
1892 1 4 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.318 0.117 17827
1893 1 4 . 1 1 81 81 LYS C C 74 176.601 176.601 177.165 -0.564 17827
1894 1 4 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.585 -1.925 17827
1895 1 4 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.280 -4.740 17827
1896 1 4 . 1 1 81 81 LYS H H 74 7.865 7.865 7.734 0.131 17827
1897 1 4 . 1 1 82 82 THR N N 75 115.636 115.636 114.124 1.512 17827
1898 1 4 . 1 1 82 82 THR HA H 75 3.800 3.800 4.293 -0.493 17827
1899 1 4 . 1 1 82 82 THR C C 75 174.806 174.806 175.100 -0.294 17827
1900 1 4 . 1 1 82 82 THR CA C 75 64.650 64.650 63.756 0.894 17827
1901 1 4 . 1 1 82 82 THR CB C 75 68.260 68.260 69.072 -0.812 17827
1902 1 4 . 1 1 82 82 THR H H 75 7.910 7.910 8.634 -0.724 17827
1903 1 4 . 1 1 83 83 HIS N N 76 116.767 116.767 118.042 -1.275 17827
1904 1 4 . 1 1 83 83 HIS C C 76 176.370 176.370 174.982 1.388 17827
1905 1 4 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.561 0.649 17827
1906 1 4 . 1 1 83 83 HIS H H 76 8.965 8.965 8.262 0.703 17827
1907 1 4 . 1 1 84 84 TRP N N 77 123.905 123.905 119.390 4.515 17827
1908 1 4 . 1 1 84 84 TRP C C 77 175.584 175.584 174.992 0.592 17827
1909 1 4 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.705 0.685 17827
1910 1 4 . 1 1 84 84 TRP H H 77 7.635 7.635 7.549 0.086 17827
1911 1 4 . 1 1 85 85 THR N N 78 108.440 108.440 114.814 -6.374 17827
1912 1 4 . 1 1 85 85 THR HA H 78 4.900 4.900 4.213 0.687 17827
1913 1 4 . 1 1 85 85 THR C C 78 175.691 175.691 175.899 -0.208 17827
1914 1 4 . 1 1 85 85 THR CA C 78 59.500 59.500 64.220 -4.720 17827
1915 1 4 . 1 1 85 85 THR CB C 78 70.600 70.600 69.816 0.784 17827
1916 1 4 . 1 1 85 85 THR H H 78 7.030 7.030 7.667 -0.637 17827
1917 1 4 . 1 1 86 86 LEU N N 79 119.766 119.766 121.586 -1.820 17827
1918 1 4 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.057 -0.017 17827
1919 1 4 . 1 1 86 86 LEU C C 79 179.734 179.734 179.231 0.503 17827
1920 1 4 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.263 -0.513 17827
1921 1 4 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.562 -1.112 17827
1922 1 4 . 1 1 86 86 LEU H H 79 8.045 8.045 8.446 -0.401 17827
1923 1 4 . 1 1 87 87 ASP N N 80 118.407 118.407 118.141 0.266 17827
1924 1 4 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.386 0.054 17827
1925 1 4 . 1 1 87 87 ASP C C 80 179.152 179.152 178.143 1.009 17827
1926 1 4 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.090 0.230 17827
1927 1 4 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.733 -0.414 17827
1928 1 4 . 1 1 87 87 ASP H H 80 8.935 8.935 8.881 0.054 17827
1929 1 4 . 1 1 88 88 LYS N N 81 123.300 123.300 118.512 4.788 17827
1930 1 4 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.859 -0.159 17827
1931 1 4 . 1 1 88 88 LYS C C 81 178.721 178.721 177.931 0.790 17827
1932 1 4 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.898 0.122 17827
1933 1 4 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.024 -0.384 17827
1934 1 4 . 1 1 88 88 LYS H H 81 8.055 8.055 8.222 -0.167 17827
1935 1 4 . 1 1 89 89 TYR N N 82 115.690 115.690 117.508 -1.818 17827
1936 1 4 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.427 0.153 17827
1937 1 4 . 1 1 89 89 TYR C C 82 176.164 176.164 176.043 0.121 17827
1938 1 4 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.667 2.083 17827
1939 1 4 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.772 0.979 17827
1940 1 4 . 1 1 89 89 TYR H H 82 7.730 7.730 7.609 0.121 17827
1941 1 4 . 1 1 90 90 GLY N N 83 108.212 108.212 106.506 1.706 17827
1942 1 4 . 1 1 90 90 GLY C C 83 174.555 174.555 174.203 0.352 17827
1943 1 4 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.929 0.581 17827
1944 1 4 . 1 1 90 90 GLY H H 83 8.030 8.030 7.347 0.683 17827
1945 1 4 . 1 1 91 91 ILE N N 84 122.960 122.960 120.626 2.334 17827
1946 1 4 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.195 -0.825 17827
1947 1 4 . 1 1 91 91 ILE C C 84 173.611 173.611 175.086 -1.475 17827
1948 1 4 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.604 0.096 17827
1949 1 4 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.033 -1.423 17827
1950 1 4 . 1 1 91 91 ILE H H 84 7.850 7.850 8.049 -0.199 17827
1951 1 4 . 1 1 92 92 GLN N N 85 125.429 125.429 124.192 1.237 17827
1952 1 4 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.729 0.151 17827
1953 1 4 . 1 1 92 92 GLN C C 85 174.756 174.756 175.923 -1.167 17827
1954 1 4 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.638 -0.918 17827
1955 1 4 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.911 0.239 17827
1956 1 4 . 1 1 92 92 GLN H H 85 7.700 7.700 8.138 -0.438 17827
1957 1 4 . 1 1 93 93 ALA N N 86 118.217 118.217 120.913 -2.696 17827
1958 1 4 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.376 -0.576 17827
1959 1 4 . 1 1 93 93 ALA C C 86 177.201 177.201 177.322 -0.121 17827
1960 1 4 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.205 0.875 17827
1961 1 4 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.725 -0.315 17827
1962 1 4 . 1 1 93 93 ALA H H 86 6.886 6.886 8.112 -1.226 17827
1963 1 4 . 1 1 94 94 ASP N N 87 113.647 113.647 117.765 -4.118 17827
1964 1 4 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.560 -0.140 17827
1965 1 4 . 1 1 94 94 ASP C C 87 176.218 176.218 175.207 1.011 17827
1966 1 4 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.825 0.235 17827
1967 1 4 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.871 -1.272 17827
1968 1 4 . 1 1 94 94 ASP H H 87 8.223 8.223 8.046 0.177 17827
1969 1 4 . 1 1 95 95 ALA N N 88 124.145 124.145 123.253 0.892 17827
1970 1 4 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.606 -0.300 17827
1971 1 4 . 1 1 95 95 ALA C C 88 176.630 176.630 176.296 0.334 17827
1972 1 4 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.561 1.759 17827
1973 1 4 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.558 0.462 17827
1974 1 4 . 1 1 95 95 ALA H H 88 7.941 7.941 7.118 0.823 17827
1975 1 4 . 1 1 96 96 LYS N N 89 120.897 120.897 126.084 -5.187 17827
1976 1 4 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.660 0.166 17827
1977 1 4 . 1 1 96 96 LYS C C 89 176.161 176.161 176.117 0.044 17827
1978 1 4 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.313 -0.577 17827
1979 1 4 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.578 -0.188 17827
1980 1 4 . 1 1 96 96 LYS H H 89 8.500 8.500 8.603 -0.103 17827
1981 1 4 . 1 1 97 97 LEU N N 90 122.960 122.960 124.011 -1.051 17827
1982 1 4 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.453 0.622 17827
1983 1 4 . 1 1 97 97 LEU C C 90 176.394 176.394 177.170 -0.776 17827
1984 1 4 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.189 -1.129 17827
1985 1 4 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.248 1.602 17827
1986 1 4 . 1 1 97 97 LEU H H 90 8.566 8.566 8.862 -0.296 17827
1987 1 4 . 1 1 98 98 GLN N N 91 119.538 119.538 116.137 3.401 17827
1988 1 4 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.901 0.809 17827
1989 1 4 . 1 1 98 98 GLN C C 91 174.144 174.144 174.558 -0.414 17827
1990 1 4 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.784 -0.424 17827
1991 1 4 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.905 -0.615 17827
1992 1 4 . 1 1 98 98 GLN H H 91 9.060 9.060 8.138 0.922 17827
1993 1 4 . 1 1 99 99 PHE N N 92 125.674 125.674 120.395 5.279 17827
1994 1 4 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.336 0.364 17827
1995 1 4 . 1 1 99 99 PHE C C 92 174.537 174.537 173.993 0.544 17827
1996 1 4 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.634 -2.444 17827
1997 1 4 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.650 -2.570 17827
1998 1 4 . 1 1 99 99 PHE H H 92 9.290 9.290 9.712 -0.422 17827
1999 1 4 . 1 1 100 100 THR N N 93 124.543 124.543 118.272 6.271 17827
2000 1 4 . 1 1 100 100 THR HA H 93 5.100 5.100 4.948 0.152 17827
2001 1 4 . 1 1 100 100 THR C C 93 180.164 180.164 171.705 8.459 17827
2002 1 4 . 1 1 100 100 THR CA C 93 58.830 58.830 59.277 -0.447 17827
2003 1 4 . 1 1 100 100 THR CB C 93 73.610 73.610 71.370 2.240 17827
2004 1 4 . 1 1 100 100 THR H H 93 8.945 8.945 8.782 0.163 17827
2005 1 5 . 1 1 9 9 ALA N N 2 124.336 124.336 123.620 0.716 17827
2006 1 5 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.515 -0.305 17827
2007 1 5 . 1 1 9 9 ALA C C 2 177.598 177.598 176.267 1.331 17827
2008 1 5 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.623 0.817 17827
2009 1 5 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.491 -0.461 17827
2010 1 5 . 1 1 9 9 ALA H H 2 8.018 8.018 8.282 -0.264 17827
2011 1 5 . 1 1 10 10 LEU N N 3 121.125 121.125 122.128 -1.003 17827
2012 1 5 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.155 0.055 17827
2013 1 5 . 1 1 10 10 LEU C C 3 177.094 177.094 176.916 0.178 17827
2014 1 5 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.656 -1.336 17827
2015 1 5 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.248 -0.078 17827
2016 1 5 . 1 1 10 10 LEU H H 3 8.057 8.057 8.402 -0.345 17827
2017 1 5 . 1 1 11 11 ASP N N 4 119.766 119.766 115.248 4.518 17827
2018 1 5 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.601 -0.126 17827
2019 1 5 . 1 1 11 11 ASP C C 4 176.509 176.509 175.916 0.593 17827
2020 1 5 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.127 0.423 17827
2021 1 5 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.516 -0.566 17827
2022 1 5 . 1 1 11 11 ASP H H 4 8.145 8.145 7.997 0.148 17827
2023 1 5 . 1 1 12 12 GLY N N 5 108.440 108.440 108.665 -0.225 17827
2024 1 5 . 1 1 12 12 GLY C C 5 173.692 173.692 175.235 -1.543 17827
2025 1 5 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.022 1.288 17827
2026 1 5 . 1 1 12 12 GLY H H 5 8.110 8.110 8.138 -0.028 17827
2027 1 5 . 1 1 13 13 ILE N N 6 119.766 119.766 118.859 0.907 17827
2028 1 5 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.674 0.426 17827
2029 1 5 . 1 1 13 13 ILE C C 6 175.525 175.525 176.625 -1.100 17827
2030 1 5 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.162 -3.452 17827
2031 1 5 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.119 0.311 17827
2032 1 5 . 1 1 13 13 ILE H H 6 7.790 7.790 7.280 0.510 17827
2033 1 5 . 1 1 14 14 ARG N N 7 125.657 125.657 117.617 8.040 17827
2034 1 5 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.386 -0.176 17827
2035 1 5 . 1 1 14 14 ARG C C 7 175.810 175.810 174.944 0.866 17827
2036 1 5 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.542 -0.902 17827
2037 1 5 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.237 -0.247 17827
2038 1 5 . 1 1 14 14 ARG H H 7 8.410 8.410 8.034 0.376 17827
2039 1 5 . 1 1 15 15 MET N N 8 123.598 123.598 118.548 5.050 17827
2040 1 5 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.792 17827
2041 1 5 . 1 1 15 15 MET C C 8 174.950 174.950 174.607 0.343 17827
2042 1 5 . 1 1 15 15 MET CA C 8 55.330 55.330 52.765 2.565 17827
2043 1 5 . 1 1 15 15 MET CB C 8 31.730 31.730 33.182 -1.452 17827
2044 1 5 . 1 1 15 15 MET H H 8 8.495 8.495 7.676 0.819 17827
2045 1 5 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.502 -0.212 17827
2046 1 5 . 1 1 16 16 PRO C C 9 176.228 176.228 176.047 0.181 17827
2047 1 5 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.312 -0.942 17827
2048 1 5 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.622 1.198 17827
2049 1 5 . 1 1 17 17 ASP N N 10 117.952 117.952 116.613 1.339 17827
2050 1 5 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.618 -0.198 17827
2051 1 5 . 1 1 17 17 ASP C C 10 176.714 176.714 176.976 -0.262 17827
2052 1 5 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.114 1.016 17827
2053 1 5 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.418 -0.988 17827
2054 1 5 . 1 1 17 17 ASP H H 10 8.076 8.076 8.257 -0.181 17827
2055 1 5 . 1 1 18 18 GLY N N 11 108.663 108.663 106.213 2.450 17827
2056 1 5 . 1 1 18 18 GLY C C 11 173.819 173.819 175.593 -1.774 17827
2057 1 5 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.664 -0.364 17827
2058 1 5 . 1 1 18 18 GLY H H 11 8.255 8.255 7.951 0.304 17827
2059 1 5 . 1 1 19 19 CYS N N 12 118.179 118.179 122.044 -3.865 17827
2060 1 5 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.386 0.164 17827
2061 1 5 . 1 1 19 19 CYS C C 12 174.073 174.073 174.358 -0.285 17827
2062 1 5 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.406 -2.986 17827
2063 1 5 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.311 0.089 17827
2064 1 5 . 1 1 19 19 CYS H H 12 7.850 7.850 8.439 -0.589 17827
2065 1 5 . 1 1 20 20 TYR N N 13 120.897 120.897 115.714 5.183 17827
2066 1 5 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.570 -0.020 17827
2067 1 5 . 1 1 20 20 TYR C C 13 176.748 176.748 174.082 2.666 17827
2068 1 5 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.893 0.577 17827
2069 1 5 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.418 -1.208 17827
2070 1 5 . 1 1 20 20 TYR H H 13 8.550 8.550 7.919 0.631 17827
2071 1 5 . 1 1 21 21 ALA N N 14 124.750 124.750 124.913 -0.163 17827
2072 1 5 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.421 -0.231 17827
2073 1 5 . 1 1 21 21 ALA C C 14 177.181 177.181 177.232 -0.051 17827
2074 1 5 . 1 1 21 21 ALA CA C 14 53.530 53.530 51.907 1.623 17827
2075 1 5 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.150 -0.520 17827
2076 1 5 . 1 1 21 21 ALA H H 14 8.615 8.615 8.400 0.214 17827
2077 1 5 . 1 1 22 22 ASP N N 15 117.500 117.500 125.028 -7.528 17827
2078 1 5 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.539 -0.059 17827
2079 1 5 . 1 1 22 22 ASP C C 15 176.708 176.708 177.114 -0.406 17827
2080 1 5 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.670 -0.170 17827
2081 1 5 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.944 -0.214 17827
2082 1 5 . 1 1 22 22 ASP H H 15 7.960 7.960 8.793 -0.833 17827
2083 1 5 . 1 1 23 23 GLY N N 16 108.891 108.891 108.318 0.573 17827
2084 1 5 . 1 1 23 23 GLY C C 16 174.373 174.373 174.811 -0.438 17827
2085 1 5 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.096 0.274 17827
2086 1 5 . 1 1 23 23 GLY H H 16 8.344 8.344 8.076 0.268 17827
2087 1 5 . 1 1 24 24 THR N N 17 110.929 110.929 113.680 -2.751 17827
2088 1 5 . 1 1 24 24 THR HA H 17 4.640 4.640 3.965 0.675 17827
2089 1 5 . 1 1 24 24 THR C C 17 173.620 173.620 173.770 -0.150 17827
2090 1 5 . 1 1 24 24 THR CA C 17 60.540 60.540 61.587 -1.047 17827
2091 1 5 . 1 1 24 24 THR CB C 17 72.100 72.100 69.838 2.263 17827
2092 1 5 . 1 1 24 24 THR H H 17 7.850 7.850 7.761 0.088 17827
2093 1 5 . 1 1 25 25 TRP N N 18 117.728 117.728 119.105 -1.377 17827
2094 1 5 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.998 -0.053 17827
2095 1 5 . 1 1 25 25 TRP C C 18 174.164 174.164 173.950 0.214 17827
2096 1 5 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.264 -1.644 17827
2097 1 5 . 1 1 25 25 TRP CB C 18 30.650 30.650 31.001 -0.351 17827
2098 1 5 . 1 1 25 25 TRP H H 18 8.640 8.640 7.810 0.830 17827
2099 1 5 . 1 1 26 26 GLU N N 19 117.728 117.728 118.845 -1.117 17827
2100 1 5 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.859 -0.008 17827
2101 1 5 . 1 1 26 26 GLU C C 19 174.786 174.786 174.458 0.328 17827
2102 1 5 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.962 0.748 17827
2103 1 5 . 1 1 26 26 GLU CB C 19 31.500 31.500 33.306 -1.806 17827
2104 1 5 . 1 1 26 26 GLU H H 19 8.744 8.744 8.499 0.245 17827
2105 1 5 . 1 1 27 27 LEU N N 20 126.668 126.668 118.915 7.753 17827
2106 1 5 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.779 0.101 17827
2107 1 5 . 1 1 27 27 LEU C C 20 175.123 175.123 175.156 -0.033 17827
2108 1 5 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.603 -0.352 17827
2109 1 5 . 1 1 27 27 LEU CB C 20 45.280 45.280 47.038 -1.758 17827
2110 1 5 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827
2111 1 5 . 1 1 28 28 SER N N 21 121.804 121.804 116.809 4.995 17827
2112 1 5 . 1 1 28 28 SER HA H 21 4.894 4.894 4.864 0.030 17827
2113 1 5 . 1 1 28 28 SER C C 21 173.483 173.483 172.636 0.847 17827
2114 1 5 . 1 1 28 28 SER CA C 21 57.880 57.880 57.563 0.317 17827
2115 1 5 . 1 1 28 28 SER CB C 21 63.920 63.920 64.392 -0.472 17827
2116 1 5 . 1 1 28 28 SER H H 21 8.785 8.785 8.379 0.406 17827
2117 1 5 . 1 1 29 29 VAL N N 22 125.881 125.881 123.039 2.842 17827
2118 1 5 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.426 -0.056 17827
2119 1 5 . 1 1 29 29 VAL C C 22 173.953 173.953 174.580 -0.627 17827
2120 1 5 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.564 -0.124 17827
2121 1 5 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.321 -0.971 17827
2122 1 5 . 1 1 29 29 VAL H H 22 8.865 8.865 8.342 0.523 17827
2123 1 5 . 1 1 30 30 HIS N N 23 126.560 126.560 123.129 3.431 17827
2124 1 5 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.783 0.437 17827
2125 1 5 . 1 1 30 30 HIS C C 23 174.596 174.596 174.158 0.438 17827
2126 1 5 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.525 -0.275 17827
2127 1 5 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.659 -2.109 17827
2128 1 5 . 1 1 30 30 HIS H H 23 8.810 8.810 8.551 0.259 17827
2129 1 5 . 1 1 31 31 VAL N N 24 130.587 130.587 126.515 4.072 17827
2130 1 5 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.653 0.577 17827
2131 1 5 . 1 1 31 31 VAL C C 24 177.426 177.426 177.060 0.366 17827
2132 1 5 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.809 -6.279 17827
2133 1 5 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.929 0.111 17827
2134 1 5 . 1 1 31 31 VAL H H 24 9.043 9.043 8.567 0.476 17827
2135 1 5 . 1 1 32 32 THR N N 25 122.484 122.484 120.064 2.420 17827
2136 1 5 . 1 1 32 32 THR HA H 25 3.970 3.970 4.379 -0.409 17827
2137 1 5 . 1 1 32 32 THR C C 25 177.437 177.437 175.926 1.511 17827
2138 1 5 . 1 1 32 32 THR CA C 25 66.470 66.470 64.013 2.457 17827
2139 1 5 . 1 1 32 32 THR CB C 25 68.220 68.220 69.171 -0.951 17827
2140 1 5 . 1 1 32 32 THR H H 25 8.245 8.245 8.696 -0.451 17827
2141 1 5 . 1 1 34 34 VAL N N 27 114.090 114.090 115.547 -1.457 17827
2142 1 5 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.180 0.320 17827
2143 1 5 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.198 -7.978 17827
2144 1 5 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.656 -6.596 17827
2145 1 5 . 1 1 34 34 VAL H H 27 6.977 6.977 7.443 -0.466 17827
2146 1 5 . 1 1 35 35 ASN N N 28 116.829 116.829 117.094 -0.265 17827
2147 1 5 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.527 -0.228 17827
2148 1 5 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.488 -0.838 17827
2149 1 5 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.564 -0.454 17827
2150 1 5 . 1 1 35 35 ASN H H 28 7.897 7.897 7.938 -0.041 17827
2151 1 5 . 1 1 36 36 ARG N N 29 114.310 114.310 116.622 -2.312 17827
2152 1 5 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.719 -0.019 17827
2153 1 5 . 1 1 36 36 ARG C C 29 173.347 173.347 173.953 -0.606 17827
2154 1 5 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.624 0.276 17827
2155 1 5 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.432 2.268 17827
2156 1 5 . 1 1 36 36 ARG H H 29 6.787 6.787 7.715 -0.928 17827
2157 1 5 . 1 1 37 37 ASP N N 30 124.071 124.071 118.312 5.759 17827
2158 1 5 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.681 0.794 17827
2159 1 5 . 1 1 37 37 ASP C C 30 175.354 175.354 174.650 0.704 17827
2160 1 5 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.163 0.497 17827
2161 1 5 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.400 -0.140 17827
2162 1 5 . 1 1 37 37 ASP H H 30 8.760 8.760 8.364 0.396 17827
2163 1 5 . 1 1 38 38 VAL N N 31 123.300 123.300 118.424 4.876 17827
2164 1 5 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.493 -0.223 17827
2165 1 5 . 1 1 38 38 VAL C C 31 174.203 174.203 174.471 -0.268 17827
2166 1 5 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.486 0.214 17827
2167 1 5 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.345 -1.725 17827
2168 1 5 . 1 1 38 38 VAL H H 31 9.187 9.187 7.895 1.292 17827
2169 1 5 . 1 1 39 39 THR N N 32 119.766 119.766 113.169 6.597 17827
2170 1 5 . 1 1 39 39 THR HA H 32 5.095 5.095 4.967 0.128 17827
2171 1 5 . 1 1 39 39 THR C C 32 173.547 173.547 173.226 0.321 17827
2172 1 5 . 1 1 39 39 THR CA C 32 60.550 60.550 59.850 0.700 17827
2173 1 5 . 1 1 39 39 THR CB C 32 70.170 70.170 71.065 -0.895 17827
2174 1 5 . 1 1 39 39 THR H H 32 8.360 8.360 8.057 0.303 17827
2175 1 5 . 1 1 40 40 LEU N N 33 124.522 124.522 122.379 2.143 17827
2176 1 5 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.660 -0.070 17827
2177 1 5 . 1 1 40 40 LEU C C 33 174.691 174.691 175.793 -1.102 17827
2178 1 5 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.767 -1.187 17827
2179 1 5 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.490 0.920 17827
2180 1 5 . 1 1 40 40 LEU H H 33 8.750 8.750 8.254 0.496 17827
2181 1 5 . 1 1 41 41 ARG N N 34 122.712 122.712 124.550 -1.838 17827
2182 1 5 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.729 -0.049 17827
2183 1 5 . 1 1 41 41 ARG C C 34 175.700 175.700 174.434 1.266 17827
2184 1 5 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.940 0.480 17827
2185 1 5 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.445 0.055 17827
2186 1 5 . 1 1 41 41 ARG H H 34 8.345 8.345 8.768 -0.423 17827
2187 1 5 . 1 1 42 42 VAL N N 35 117.728 117.728 117.835 -0.107 17827
2188 1 5 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.551 -0.086 17827
2189 1 5 . 1 1 42 42 VAL C C 35 173.184 173.184 173.581 -0.397 17827
2190 1 5 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.139 -0.469 17827
2191 1 5 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.550 0.500 17827
2192 1 5 . 1 1 42 42 VAL H H 35 8.640 8.640 7.773 0.867 17827
2193 1 5 . 1 1 43 43 THR N N 36 104.359 104.359 108.652 -4.293 17827
2194 1 5 . 1 1 43 43 THR HA H 36 4.660 4.660 2.436 2.224 17827
2195 1 5 . 1 1 43 43 THR C C 36 174.862 174.862 175.133 -0.271 17827
2196 1 5 . 1 1 43 43 THR CA C 36 59.010 59.010 59.355 -0.345 17827
2197 1 5 . 1 1 43 43 THR CB C 36 71.570 71.570 70.833 0.737 17827
2198 1 5 . 1 1 43 43 THR H H 36 6.220 6.220 7.989 -1.770 17827
2199 1 5 . 1 1 44 44 GLY N N 37 105.946 105.946 106.422 -0.476 17827
2200 1 5 . 1 1 44 44 GLY C C 37 173.394 173.394 174.435 -1.041 17827
2201 1 5 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.559 0.271 17827
2202 1 5 . 1 1 44 44 GLY H H 37 9.160 9.160 8.340 0.820 17827
2203 1 5 . 1 1 45 45 GLU N N 38 113.875 113.875 117.254 -3.379 17827
2204 1 5 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.239 0.051 17827
2205 1 5 . 1 1 45 45 GLU C C 38 176.167 176.167 176.556 -0.389 17827
2206 1 5 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.068 -0.568 17827
2207 1 5 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.778 1.172 17827
2208 1 5 . 1 1 45 45 GLU H H 38 7.500 7.500 7.270 0.230 17827
2209 1 5 . 1 1 46 46 VAL N N 39 121.577 121.577 122.102 -0.525 17827
2210 1 5 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.973 -0.153 17827
2211 1 5 . 1 1 46 46 VAL C C 39 174.651 174.651 174.924 -0.273 17827
2212 1 5 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.637 2.283 17827
2213 1 5 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.154 -1.564 17827
2214 1 5 . 1 1 46 46 VAL H H 39 7.260 7.260 7.647 -0.387 17827
2215 1 5 . 1 1 47 47 HIS N N 40 123.391 123.391 126.336 -2.945 17827
2216 1 5 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.615 0.597 17827
2217 1 5 . 1 1 47 47 HIS C C 40 177.440 177.440 176.572 0.868 17827
2218 1 5 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.046 -2.386 17827
2219 1 5 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.164 -0.254 17827
2220 1 5 . 1 1 47 47 HIS H H 40 8.285 8.285 8.379 -0.094 17827
2221 1 5 . 1 1 48 48 ILE N N 41 124.071 124.071 124.194 -0.123 17827
2222 1 5 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.830 -0.300 17827
2223 1 5 . 1 1 48 48 ILE C C 41 178.941 178.941 178.168 0.773 17827
2224 1 5 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.476 -3.146 17827
2225 1 5 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.839 -3.609 17827
2226 1 5 . 1 1 48 48 ILE H H 41 8.863 8.863 8.728 0.135 17827
2227 1 5 . 1 1 49 49 GLY N N 42 106.853 106.853 105.063 1.790 17827
2228 1 5 . 1 1 49 49 GLY C C 42 175.669 175.669 175.658 0.011 17827
2229 1 5 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.367 -1.047 17827
2230 1 5 . 1 1 49 49 GLY H H 42 9.720 9.720 8.724 0.996 17827
2231 1 5 . 1 1 50 50 GLY N N 43 109.571 109.571 109.442 0.129 17827
2232 1 5 . 1 1 50 50 GLY C C 43 175.847 175.847 175.299 0.548 17827
2233 1 5 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.565 1.435 17827
2234 1 5 . 1 1 50 50 GLY H H 43 6.950 6.950 8.272 -1.322 17827
2235 1 5 . 1 1 51 51 VAL N N 44 123.163 123.163 124.642 -1.479 17827
2236 1 5 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.547 -0.432 17827
2237 1 5 . 1 1 51 51 VAL C C 44 176.804 176.804 177.806 -1.002 17827
2238 1 5 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.149 -0.489 17827
2239 1 5 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.097 -1.367 17827
2240 1 5 . 1 1 51 51 VAL H H 44 7.860 7.860 8.718 -0.858 17827
2241 1 5 . 1 1 52 52 MET N N 45 115.913 115.913 117.543 -1.630 17827
2242 1 5 . 1 1 52 52 MET HA H 45 3.410 3.410 4.065 -0.655 17827
2243 1 5 . 1 1 52 52 MET C C 45 176.881 176.881 178.090 -1.209 17827
2244 1 5 . 1 1 52 52 MET CA C 45 59.830 59.830 59.480 0.350 17827
2245 1 5 . 1 1 52 52 MET CB C 45 32.310 32.310 31.682 0.628 17827
2246 1 5 . 1 1 52 52 MET H H 45 7.940 7.940 7.786 0.154 17827
2247 1 5 . 1 1 53 53 LEU N N 46 118.291 118.291 120.806 -2.515 17827
2248 1 5 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.014 -0.074 17827
2249 1 5 . 1 1 53 53 LEU C C 46 179.178 179.178 179.154 0.024 17827
2250 1 5 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.829 0.671 17827
2251 1 5 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.195 0.735 17827
2252 1 5 . 1 1 53 53 LEU H H 46 7.550 7.550 7.699 -0.149 17827
2253 1 5 . 1 1 54 54 LYS N N 47 118.142 118.142 119.397 -1.255 17827
2254 1 5 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.990 -0.120 17827
2255 1 5 . 1 1 54 54 LYS C C 47 178.616 178.616 179.254 -0.638 17827
2256 1 5 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.332 -1.352 17827
2257 1 5 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.129 0.191 17827
2258 1 5 . 1 1 54 54 LYS H H 47 7.665 7.665 8.565 -0.900 17827
2259 1 5 . 1 1 55 55 LEU N N 48 119.385 119.385 120.639 -1.254 17827
2260 1 5 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.256 -0.686 17827
2261 1 5 . 1 1 55 55 LEU C C 48 177.405 177.405 177.742 -0.337 17827
2262 1 5 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.750 0.040 17827
2263 1 5 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.086 -0.496 17827
2264 1 5 . 1 1 55 55 LEU H H 48 7.975 7.975 7.816 0.159 17827
2265 1 5 . 1 1 56 56 VAL N N 49 116.141 116.141 120.194 -4.053 17827
2266 1 5 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.465 -0.475 17827
2267 1 5 . 1 1 56 56 VAL C C 49 178.564 178.564 178.073 0.491 17827
2268 1 5 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.231 -0.921 17827
2269 1 5 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.812 -0.512 17827
2270 1 5 . 1 1 56 56 VAL H H 49 7.615 7.615 8.911 -1.296 17827
2271 1 5 . 1 1 57 57 GLU N N 50 118.631 118.631 118.300 0.331 17827
2272 1 5 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.004 -0.039 17827
2273 1 5 . 1 1 57 57 GLU C C 50 178.030 178.030 178.452 -0.422 17827
2274 1 5 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.863 -0.363 17827
2275 1 5 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.535 0.075 17827
2276 1 5 . 1 1 57 57 GLU H H 50 7.575 7.575 8.733 -1.158 17827
2277 1 5 . 1 1 58 58 LYS N N 51 117.053 117.053 118.912 -1.859 17827
2278 1 5 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.103 0.027 17827
2279 1 5 . 1 1 58 58 LYS C C 51 176.956 176.956 177.577 -0.621 17827
2280 1 5 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.622 -1.962 17827
2281 1 5 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.151 -0.491 17827
2282 1 5 . 1 1 58 58 LYS H H 51 7.490 7.490 7.368 0.122 17827
2283 1 5 . 1 1 59 59 LEU N N 52 119.460 119.460 119.980 -0.520 17827
2284 1 5 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.274 -0.152 17827
2285 1 5 . 1 1 59 59 LEU C C 52 176.645 176.645 176.986 -0.341 17827
2286 1 5 . 1 1 59 59 LEU CA C 52 56.660 56.660 54.797 1.863 17827
2287 1 5 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.044 1.656 17827
2288 1 5 . 1 1 59 59 LEU H H 52 7.470 7.470 8.137 -0.667 17827
2289 1 5 . 1 1 62 62 LYS C C 55 175.670 175.670 175.333 0.337 17827
2290 1 5 . 1 1 63 63 LYS N N 56 122.430 122.430 120.924 1.506 17827
2291 1 5 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.462 -0.432 17827
2292 1 5 . 1 1 63 63 LYS C C 56 172.850 172.850 176.302 -3.452 17827
2293 1 5 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.322 -1.792 17827
2294 1 5 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.277 1.163 17827
2295 1 5 . 1 1 63 63 LYS H H 56 7.245 7.245 8.219 -0.974 17827
2296 1 5 . 1 1 64 64 ASP N N 57 118.867 118.867 121.565 -2.698 17827
2297 1 5 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.702 -0.172 17827
2298 1 5 . 1 1 64 64 ASP C C 57 176.710 176.710 175.787 0.923 17827
2299 1 5 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.395 -1.895 17827
2300 1 5 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.077 -1.757 17827
2301 1 5 . 1 1 64 64 ASP H H 57 7.867 7.867 8.657 -0.790 17827
2302 1 5 . 1 1 65 65 TRP N N 58 128.827 128.827 122.998 5.829 17827
2303 1 5 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.756 -0.216 17827
2304 1 5 . 1 1 65 65 TRP C C 58 178.390 178.390 177.057 1.333 17827
2305 1 5 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.831 -4.971 17827
2306 1 5 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.936 -0.516 17827
2307 1 5 . 1 1 65 65 TRP H H 58 8.790 8.790 8.206 0.584 17827
2308 1 5 . 1 1 66 66 SER N N 59 117.724 117.724 115.282 2.442 17827
2309 1 5 . 1 1 66 66 SER HA H 59 4.143 4.143 3.695 0.448 17827
2310 1 5 . 1 1 66 66 SER C C 59 174.471 174.471 173.800 0.671 17827
2311 1 5 . 1 1 66 66 SER CA C 59 62.350 62.350 59.473 2.877 17827
2312 1 5 . 1 1 66 66 SER CB C 59 63.110 63.110 62.157 0.953 17827
2313 1 5 . 1 1 66 66 SER H H 59 8.637 8.637 7.815 0.822 17827
2314 1 5 . 1 1 67 67 ASP N N 60 121.042 121.042 119.570 1.472 17827
2315 1 5 . 1 1 67 67 ASP C C 60 176.206 176.206 175.453 0.753 17827
2316 1 5 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.324 1.236 17827
2317 1 5 . 1 1 67 67 ASP H H 60 8.895 8.895 7.850 1.045 17827
2318 1 5 . 1 1 68 68 HIS N N 61 121.519 121.519 117.703 3.816 17827
2319 1 5 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.382 0.108 17827
2320 1 5 . 1 1 68 68 HIS C C 61 174.546 174.546 173.802 0.744 17827
2321 1 5 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.146 1.794 17827
2322 1 5 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.666 8.744 17827
2323 1 5 . 1 1 68 68 HIS H H 61 7.958 7.958 7.240 0.718 17827
2324 1 5 . 1 1 69 69 ALA N N 62 122.256 122.256 119.203 3.053 17827
2325 1 5 . 1 1 69 69 ALA C C 62 175.294 175.294 174.800 0.494 17827
2326 1 5 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.689 -0.219 17827
2327 1 5 . 1 1 69 69 ALA H H 62 8.575 8.575 7.982 0.593 17827
2328 1 5 . 1 1 70 70 LEU N N 63 118.904 118.904 120.701 -1.797 17827
2329 1 5 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.879 0.775 17827
2330 1 5 . 1 1 70 70 LEU C C 63 174.445 174.445 176.442 -1.997 17827
2331 1 5 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.114 0.816 17827
2332 1 5 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.128 2.172 17827
2333 1 5 . 1 1 70 70 LEU H H 63 9.150 9.150 8.752 0.398 17827
2334 1 5 . 1 1 71 71 TRP N N 64 125.367 125.367 126.491 -1.124 17827
2335 1 5 . 1 1 71 71 TRP C C 64 174.010 174.010 175.042 -1.032 17827
2336 1 5 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.373 1.837 17827
2337 1 5 . 1 1 71 71 TRP H H 64 9.590 9.590 8.509 1.081 17827
2338 1 5 . 1 1 72 72 TRP N N 65 129.982 129.982 128.668 1.314 17827
2339 1 5 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.582 0.398 17827
2340 1 5 . 1 1 72 72 TRP C C 65 174.335 174.335 176.303 -1.968 17827
2341 1 5 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.527 -3.087 17827
2342 1 5 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.887 0.603 17827
2343 1 5 . 1 1 72 72 TRP H H 65 8.277 8.277 8.356 -0.079 17827
2344 1 5 . 1 1 73 73 GLU N N 66 129.112 129.112 128.445 0.667 17827
2345 1 5 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.897 -0.597 17827
2346 1 5 . 1 1 73 73 GLU C C 66 178.595 178.595 176.976 1.619 17827
2347 1 5 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.315 1.605 17827
2348 1 5 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.125 -0.065 17827
2349 1 5 . 1 1 73 73 GLU H H 66 8.969 8.969 8.427 0.542 17827
2350 1 5 . 1 1 74 74 LYS N N 67 117.492 117.492 118.714 -1.222 17827
2351 1 5 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.737 -0.035 17827
2352 1 5 . 1 1 74 74 LYS C C 67 176.361 176.361 176.878 -0.517 17827
2353 1 5 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.235 0.425 17827
2354 1 5 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.655 0.365 17827
2355 1 5 . 1 1 74 74 LYS H H 67 7.860 7.860 8.349 -0.489 17827
2356 1 5 . 1 1 75 75 LYS N N 68 121.233 121.233 113.363 7.870 17827
2357 1 5 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.105 -0.170 17827
2358 1 5 . 1 1 75 75 LYS C C 68 174.183 174.183 175.186 -1.003 17827
2359 1 5 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.515 -2.115 17827
2360 1 5 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.152 -0.952 17827
2361 1 5 . 1 1 75 75 LYS H H 68 7.500 7.500 7.098 0.402 17827
2362 1 5 . 1 1 76 76 ARG N N 69 121.125 121.125 117.751 3.374 17827
2363 1 5 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.137 -0.247 17827
2364 1 5 . 1 1 76 76 ARG C C 69 173.984 173.984 173.896 0.088 17827
2365 1 5 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.275 0.041 17827
2366 1 5 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.548 0.542 17827
2367 1 5 . 1 1 76 76 ARG H H 69 7.500 7.500 8.147 -0.647 17827
2368 1 5 . 1 1 77 77 THR N N 70 110.478 110.478 113.699 -3.221 17827
2369 1 5 . 1 1 77 77 THR HA H 70 4.650 4.650 3.667 0.983 17827
2370 1 5 . 1 1 77 77 THR C C 70 171.846 171.846 173.113 -1.267 17827
2371 1 5 . 1 1 77 77 THR CA C 70 61.630 61.630 60.398 1.232 17827
2372 1 5 . 1 1 77 77 THR CB C 70 72.210 72.210 70.539 1.671 17827
2373 1 5 . 1 1 77 77 THR H H 70 6.280 6.280 7.102 -0.822 17827
2374 1 5 . 1 1 78 78 TRP N N 71 127.244 127.244 126.526 0.718 17827
2375 1 5 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.339 -0.589 17827
2376 1 5 . 1 1 78 78 TRP C C 71 177.303 177.303 176.402 0.901 17827
2377 1 5 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.105 0.135 17827
2378 1 5 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.505 -0.005 17827
2379 1 5 . 1 1 78 78 TRP H H 71 8.795 8.795 8.132 0.663 17827
2380 1 5 . 1 1 79 79 LEU N N 72 125.202 125.202 122.117 3.085 17827
2381 1 5 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.784 -0.284 17827
2382 1 5 . 1 1 79 79 LEU C C 72 175.667 175.667 176.567 -0.900 17827
2383 1 5 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.191 -1.681 17827
2384 1 5 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.149 -2.909 17827
2385 1 5 . 1 1 79 79 LEU H H 72 9.175 9.175 8.296 0.879 17827
2386 1 5 . 1 1 80 80 LEU N N 73 119.170 119.170 123.560 -4.390 17827
2387 1 5 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.535 -0.155 17827
2388 1 5 . 1 1 80 80 LEU C C 73 178.139 178.139 176.833 1.306 17827
2389 1 5 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.499 -0.799 17827
2390 1 5 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.847 -0.677 17827
2391 1 5 . 1 1 80 80 LEU H H 73 7.280 7.280 8.479 -1.199 17827
2392 1 5 . 1 1 81 81 LYS N N 74 119.766 119.766 118.376 1.390 17827
2393 1 5 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.375 0.060 17827
2394 1 5 . 1 1 81 81 LYS C C 74 176.601 176.601 177.261 -0.660 17827
2395 1 5 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.527 -1.867 17827
2396 1 5 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.664 -5.124 17827
2397 1 5 . 1 1 81 81 LYS H H 74 7.865 7.865 7.760 0.105 17827
2398 1 5 . 1 1 82 82 THR N N 75 115.636 115.636 114.747 0.889 17827
2399 1 5 . 1 1 82 82 THR HA H 75 3.800 3.800 4.441 -0.641 17827
2400 1 5 . 1 1 82 82 THR C C 75 174.806 174.806 175.257 -0.451 17827
2401 1 5 . 1 1 82 82 THR CA C 75 64.650 64.650 64.089 0.561 17827
2402 1 5 . 1 1 82 82 THR CB C 75 68.260 68.260 68.915 -0.655 17827
2403 1 5 . 1 1 82 82 THR H H 75 7.910 7.910 8.739 -0.829 17827
2404 1 5 . 1 1 83 83 HIS N N 76 116.767 116.767 117.604 -0.837 17827
2405 1 5 . 1 1 83 83 HIS C C 76 176.370 176.370 174.994 1.376 17827
2406 1 5 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.782 0.428 17827
2407 1 5 . 1 1 83 83 HIS H H 76 8.965 8.965 8.243 0.722 17827
2408 1 5 . 1 1 84 84 TRP N N 77 123.905 123.905 119.202 4.703 17827
2409 1 5 . 1 1 84 84 TRP C C 77 175.584 175.584 175.779 -0.195 17827
2410 1 5 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.291 1.099 17827
2411 1 5 . 1 1 84 84 TRP H H 77 7.635 7.635 7.630 0.005 17827
2412 1 5 . 1 1 85 85 THR N N 78 108.440 108.440 114.915 -6.475 17827
2413 1 5 . 1 1 85 85 THR HA H 78 4.900 4.900 4.162 0.738 17827
2414 1 5 . 1 1 85 85 THR C C 78 175.691 175.691 175.527 0.164 17827
2415 1 5 . 1 1 85 85 THR CA C 78 59.500 59.500 63.541 -4.041 17827
2416 1 5 . 1 1 85 85 THR CB C 78 70.600 70.600 69.776 0.824 17827
2417 1 5 . 1 1 85 85 THR H H 78 7.030 7.030 7.610 -0.580 17827
2418 1 5 . 1 1 86 86 LEU N N 79 119.766 119.766 120.929 -1.163 17827
2419 1 5 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.095 -0.055 17827
2420 1 5 . 1 1 86 86 LEU C C 79 179.734 179.734 179.133 0.601 17827
2421 1 5 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.411 -0.661 17827
2422 1 5 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.273 -0.823 17827
2423 1 5 . 1 1 86 86 LEU H H 79 8.045 8.045 8.600 -0.555 17827
2424 1 5 . 1 1 87 87 ASP N N 80 118.407 118.407 118.840 -0.433 17827
2425 1 5 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.374 0.066 17827
2426 1 5 . 1 1 87 87 ASP C C 80 179.152 179.152 178.242 0.910 17827
2427 1 5 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.144 0.176 17827
2428 1 5 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.535 -0.215 17827
2429 1 5 . 1 1 87 87 ASP H H 80 8.935 8.935 8.825 0.110 17827
2430 1 5 . 1 1 88 88 LYS N N 81 123.300 123.300 119.051 4.249 17827
2431 1 5 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.916 -0.216 17827
2432 1 5 . 1 1 88 88 LYS C C 81 178.721 178.721 178.738 -0.017 17827
2433 1 5 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.915 0.105 17827
2434 1 5 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.986 -0.346 17827
2435 1 5 . 1 1 88 88 LYS H H 81 8.055 8.055 8.313 -0.258 17827
2436 1 5 . 1 1 89 89 TYR N N 82 115.690 115.690 116.848 -1.158 17827
2437 1 5 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.582 -0.002 17827
2438 1 5 . 1 1 89 89 TYR C C 82 176.164 176.164 176.084 0.080 17827
2439 1 5 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.040 1.710 17827
2440 1 5 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.525 1.225 17827
2441 1 5 . 1 1 89 89 TYR H H 82 7.730 7.730 7.742 -0.012 17827
2442 1 5 . 1 1 90 90 GLY N N 83 108.212 108.212 106.402 1.810 17827
2443 1 5 . 1 1 90 90 GLY C C 83 174.555 174.555 174.568 -0.013 17827
2444 1 5 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.934 0.576 17827
2445 1 5 . 1 1 90 90 GLY H H 83 8.030 8.030 7.444 0.586 17827
2446 1 5 . 1 1 91 91 ILE N N 84 122.960 122.960 120.519 2.441 17827
2447 1 5 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.166 -0.796 17827
2448 1 5 . 1 1 91 91 ILE C C 84 173.611 173.611 175.066 -1.455 17827
2449 1 5 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.480 0.220 17827
2450 1 5 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.089 -1.479 17827
2451 1 5 . 1 1 91 91 ILE H H 84 7.850 7.850 7.998 -0.148 17827
2452 1 5 . 1 1 92 92 GLN N N 85 125.429 125.429 124.106 1.323 17827
2453 1 5 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.679 0.201 17827
2454 1 5 . 1 1 92 92 GLN C C 85 174.756 174.756 175.032 -0.276 17827
2455 1 5 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.720 -1.000 17827
2456 1 5 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.873 0.277 17827
2457 1 5 . 1 1 92 92 GLN H H 85 7.700 7.700 8.086 -0.386 17827
2458 1 5 . 1 1 93 93 ALA N N 86 118.217 118.217 121.003 -2.786 17827
2459 1 5 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.430 -0.630 17827
2460 1 5 . 1 1 93 93 ALA C C 86 177.201 177.201 177.349 -0.148 17827
2461 1 5 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.424 0.656 17827
2462 1 5 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.736 -0.326 17827
2463 1 5 . 1 1 93 93 ALA H H 86 6.886 6.886 8.150 -1.264 17827
2464 1 5 . 1 1 94 94 ASP N N 87 113.647 113.647 116.744 -3.097 17827
2465 1 5 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.545 -0.125 17827
2466 1 5 . 1 1 94 94 ASP C C 87 176.218 176.218 175.117 1.101 17827
2467 1 5 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.572 0.488 17827
2468 1 5 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.863 -1.263 17827
2469 1 5 . 1 1 94 94 ASP H H 87 8.223 8.223 8.095 0.128 17827
2470 1 5 . 1 1 95 95 ALA N N 88 124.145 124.145 123.260 0.885 17827
2471 1 5 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.550 -0.244 17827
2472 1 5 . 1 1 95 95 ALA C C 88 176.630 176.630 176.004 0.626 17827
2473 1 5 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.604 1.716 17827
2474 1 5 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.614 0.406 17827
2475 1 5 . 1 1 95 95 ALA H H 88 7.941 7.941 7.088 0.853 17827
2476 1 5 . 1 1 96 96 LYS N N 89 120.897 120.897 126.442 -5.545 17827
2477 1 5 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.918 -0.092 17827
2478 1 5 . 1 1 96 96 LYS C C 89 176.161 176.161 176.172 -0.011 17827
2479 1 5 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.007 -0.271 17827
2480 1 5 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.107 0.283 17827
2481 1 5 . 1 1 96 96 LYS H H 89 8.500 8.500 8.631 -0.131 17827
2482 1 5 . 1 1 97 97 LEU N N 90 122.960 122.960 125.009 -2.049 17827
2483 1 5 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.254 0.821 17827
2484 1 5 . 1 1 97 97 LEU C C 90 176.394 176.394 176.162 0.232 17827
2485 1 5 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.747 -1.687 17827
2486 1 5 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.061 1.789 17827
2487 1 5 . 1 1 97 97 LEU H H 90 8.566 8.566 8.735 -0.169 17827
2488 1 5 . 1 1 98 98 GLN N N 91 119.538 119.538 114.563 4.975 17827
2489 1 5 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.881 0.829 17827
2490 1 5 . 1 1 98 98 GLN C C 91 174.144 174.144 174.540 -0.396 17827
2491 1 5 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.437 -0.077 17827
2492 1 5 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.727 -0.437 17827
2493 1 5 . 1 1 98 98 GLN H H 91 9.060 9.060 7.831 1.229 17827
2494 1 5 . 1 1 99 99 PHE N N 92 125.674 125.674 120.256 5.418 17827
2495 1 5 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.257 0.443 17827
2496 1 5 . 1 1 99 99 PHE C C 92 174.537 174.537 173.937 0.600 17827
2497 1 5 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.599 -2.409 17827
2498 1 5 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.730 -2.650 17827
2499 1 5 . 1 1 99 99 PHE H H 92 9.290 9.290 9.746 -0.456 17827
2500 1 5 . 1 1 100 100 THR N N 93 124.543 124.543 119.416 5.127 17827
2501 1 5 . 1 1 100 100 THR HA H 93 5.100 5.100 4.806 0.294 17827
2502 1 5 . 1 1 100 100 THR C C 93 180.164 180.164 172.051 8.113 17827
2503 1 5 . 1 1 100 100 THR CA C 93 58.830 58.830 59.640 -0.810 17827
2504 1 5 . 1 1 100 100 THR CB C 93 73.610 73.610 71.096 2.514 17827
2505 1 5 . 1 1 100 100 THR H H 93 8.945 8.945 8.569 0.376 17827
2506 1 6 . 1 1 9 9 ALA N N 2 124.336 124.336 123.439 0.897 17827
2507 1 6 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.428 -0.218 17827
2508 1 6 . 1 1 9 9 ALA C C 2 177.598 177.598 176.289 1.309 17827
2509 1 6 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.579 0.861 17827
2510 1 6 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.120 -0.090 17827
2511 1 6 . 1 1 9 9 ALA H H 2 8.018 8.018 8.295 -0.277 17827
2512 1 6 . 1 1 10 10 LEU N N 3 121.125 121.125 122.233 -1.108 17827
2513 1 6 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.102 0.108 17827
2514 1 6 . 1 1 10 10 LEU C C 3 177.094 177.094 176.773 0.321 17827
2515 1 6 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.740 -1.420 17827
2516 1 6 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.255 -0.086 17827
2517 1 6 . 1 1 10 10 LEU H H 3 8.057 8.057 8.431 -0.374 17827
2518 1 6 . 1 1 11 11 ASP N N 4 119.766 119.766 115.507 4.259 17827
2519 1 6 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.582 -0.107 17827
2520 1 6 . 1 1 11 11 ASP C C 4 176.509 176.509 177.663 -1.154 17827
2521 1 6 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.587 -0.036 17827
2522 1 6 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.265 0.685 17827
2523 1 6 . 1 1 11 11 ASP H H 4 8.145 8.145 8.119 0.026 17827
2524 1 6 . 1 1 12 12 GLY N N 5 108.440 108.440 110.975 -2.535 17827
2525 1 6 . 1 1 12 12 GLY C C 5 173.692 173.692 175.922 -2.230 17827
2526 1 6 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.426 -1.116 17827
2527 1 6 . 1 1 12 12 GLY H H 5 8.110 8.110 8.524 -0.414 17827
2528 1 6 . 1 1 13 13 ILE N N 6 119.766 119.766 119.694 0.072 17827
2529 1 6 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.667 0.433 17827
2530 1 6 . 1 1 13 13 ILE C C 6 175.525 175.525 177.538 -2.013 17827
2531 1 6 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.611 -1.901 17827
2532 1 6 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.377 1.053 17827
2533 1 6 . 1 1 13 13 ILE H H 6 7.790 7.790 7.854 -0.064 17827
2534 1 6 . 1 1 14 14 ARG N N 7 125.657 125.657 120.657 5.000 17827
2535 1 6 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.137 0.073 17827
2536 1 6 . 1 1 14 14 ARG C C 7 175.810 175.810 176.439 -0.629 17827
2537 1 6 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.245 -2.605 17827
2538 1 6 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.419 0.571 17827
2539 1 6 . 1 1 14 14 ARG H H 7 8.410 8.410 7.582 0.829 17827
2540 1 6 . 1 1 15 15 MET N N 8 123.598 123.598 114.874 8.724 17827
2541 1 6 . 1 1 15 15 MET HA H 8 4.210 4.210 5.091 -0.881 17827
2542 1 6 . 1 1 15 15 MET C C 8 174.950 174.950 174.403 0.547 17827
2543 1 6 . 1 1 15 15 MET CA C 8 55.330 55.330 53.130 2.200 17827
2544 1 6 . 1 1 15 15 MET CB C 8 31.730 31.730 33.367 -1.637 17827
2545 1 6 . 1 1 15 15 MET H H 8 8.495 8.495 7.658 0.837 17827
2546 1 6 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.455 -0.165 17827
2547 1 6 . 1 1 16 16 PRO C C 9 176.228 176.228 176.518 -0.290 17827
2548 1 6 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.617 -1.247 17827
2549 1 6 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.994 0.826 17827
2550 1 6 . 1 1 17 17 ASP N N 10 117.952 117.952 117.297 0.655 17827
2551 1 6 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.585 -0.165 17827
2552 1 6 . 1 1 17 17 ASP C C 10 176.714 176.714 176.215 0.499 17827
2553 1 6 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.491 0.639 17827
2554 1 6 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.788 -0.358 17827
2555 1 6 . 1 1 17 17 ASP H H 10 8.076 8.076 7.700 0.376 17827
2556 1 6 . 1 1 18 18 GLY N N 11 108.663 108.663 105.895 2.768 17827
2557 1 6 . 1 1 18 18 GLY C C 11 173.819 173.819 174.863 -1.044 17827
2558 1 6 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.253 0.047 17827
2559 1 6 . 1 1 18 18 GLY H H 11 8.255 8.255 7.407 0.848 17827
2560 1 6 . 1 1 19 19 CYS N N 12 118.179 118.179 118.938 -0.759 17827
2561 1 6 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827
2562 1 6 . 1 1 19 19 CYS C C 12 174.073 174.073 173.520 0.553 17827
2563 1 6 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.880 -2.460 17827
2564 1 6 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.839 0.561 17827
2565 1 6 . 1 1 19 19 CYS H H 12 7.850 7.850 8.203 -0.353 17827
2566 1 6 . 1 1 20 20 TYR N N 13 120.897 120.897 116.278 4.619 17827
2567 1 6 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.587 -0.037 17827
2568 1 6 . 1 1 20 20 TYR C C 13 176.748 176.748 176.300 0.448 17827
2569 1 6 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.012 1.458 17827
2570 1 6 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.037 -0.827 17827
2571 1 6 . 1 1 20 20 TYR H H 13 8.550 8.550 7.784 0.766 17827
2572 1 6 . 1 1 21 21 ALA N N 14 124.750 124.750 124.152 0.598 17827
2573 1 6 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.074 0.116 17827
2574 1 6 . 1 1 21 21 ALA C C 14 177.181 177.181 177.915 -0.734 17827
2575 1 6 . 1 1 21 21 ALA CA C 14 53.530 53.530 55.147 -1.617 17827
2576 1 6 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.814 -0.184 17827
2577 1 6 . 1 1 21 21 ALA H H 14 8.615 8.615 8.749 -0.134 17827
2578 1 6 . 1 1 22 22 ASP N N 15 117.500 117.500 116.549 0.951 17827
2579 1 6 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.638 -0.158 17827
2580 1 6 . 1 1 22 22 ASP C C 15 176.708 176.708 177.226 -0.518 17827
2581 1 6 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.903 -0.403 17827
2582 1 6 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.687 -0.957 17827
2583 1 6 . 1 1 22 22 ASP H H 15 7.960 7.960 8.250 -0.290 17827
2584 1 6 . 1 1 23 23 GLY N N 16 108.891 108.891 108.790 0.101 17827
2585 1 6 . 1 1 23 23 GLY C C 16 174.373 174.373 174.301 0.072 17827
2586 1 6 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.215 -0.845 17827
2587 1 6 . 1 1 23 23 GLY H H 16 8.344 8.344 8.325 0.019 17827
2588 1 6 . 1 1 24 24 THR N N 17 110.929 110.929 110.499 0.430 17827
2589 1 6 . 1 1 24 24 THR HA H 17 4.640 4.640 4.476 0.164 17827
2590 1 6 . 1 1 24 24 THR C C 17 173.620 173.620 173.803 -0.183 17827
2591 1 6 . 1 1 24 24 THR CA C 17 60.540 60.540 60.758 -0.218 17827
2592 1 6 . 1 1 24 24 THR CB C 17 72.100 72.100 70.160 1.940 17827
2593 1 6 . 1 1 24 24 THR H H 17 7.850 7.850 7.419 0.431 17827
2594 1 6 . 1 1 25 25 TRP N N 18 117.728 117.728 117.659 0.069 17827
2595 1 6 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.875 0.070 17827
2596 1 6 . 1 1 25 25 TRP C C 18 174.164 174.164 174.055 0.109 17827
2597 1 6 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.394 -1.774 17827
2598 1 6 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.822 0.828 17827
2599 1 6 . 1 1 25 25 TRP H H 18 8.640 8.640 7.390 1.250 17827
2600 1 6 . 1 1 26 26 GLU N N 19 117.728 117.728 119.425 -1.697 17827
2601 1 6 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.934 -0.083 17827
2602 1 6 . 1 1 26 26 GLU C C 19 174.786 174.786 174.288 0.498 17827
2603 1 6 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.655 1.055 17827
2604 1 6 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.578 -1.078 17827
2605 1 6 . 1 1 26 26 GLU H H 19 8.744 8.744 8.452 0.292 17827
2606 1 6 . 1 1 27 27 LEU N N 20 126.668 126.668 118.847 7.821 17827
2607 1 6 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.704 0.176 17827
2608 1 6 . 1 1 27 27 LEU C C 20 175.123 175.123 175.139 -0.016 17827
2609 1 6 . 1 1 27 27 LEU CA C 20 53.252 53.252 54.074 -0.822 17827
2610 1 6 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.185 -0.905 17827
2611 1 6 . 1 1 27 27 LEU H H 20 8.980 8.980 8.702 0.278 17827
2612 1 6 . 1 1 28 28 SER N N 21 121.804 121.804 116.426 5.378 17827
2613 1 6 . 1 1 28 28 SER HA H 21 4.894 4.894 5.110 -0.216 17827
2614 1 6 . 1 1 28 28 SER C C 21 173.483 173.483 172.889 0.594 17827
2615 1 6 . 1 1 28 28 SER CA C 21 57.880 57.880 57.294 0.586 17827
2616 1 6 . 1 1 28 28 SER CB C 21 63.920 63.920 64.858 -0.938 17827
2617 1 6 . 1 1 28 28 SER H H 21 8.785 8.785 8.512 0.273 17827
2618 1 6 . 1 1 29 29 VAL N N 22 125.881 125.881 122.334 3.547 17827
2619 1 6 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.479 -0.110 17827
2620 1 6 . 1 1 29 29 VAL C C 22 173.953 173.953 175.017 -1.064 17827
2621 1 6 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.467 -0.027 17827
2622 1 6 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.302 -1.952 17827
2623 1 6 . 1 1 29 29 VAL H H 22 8.865 8.865 8.346 0.519 17827
2624 1 6 . 1 1 30 30 HIS N N 23 126.560 126.560 122.921 3.639 17827
2625 1 6 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.773 0.447 17827
2626 1 6 . 1 1 30 30 HIS C C 23 174.596 174.596 173.952 0.644 17827
2627 1 6 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.521 -0.271 17827
2628 1 6 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.172 -2.622 17827
2629 1 6 . 1 1 30 30 HIS H H 23 8.810 8.810 8.496 0.314 17827
2630 1 6 . 1 1 31 31 VAL N N 24 130.587 130.587 126.554 4.033 17827
2631 1 6 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.716 0.514 17827
2632 1 6 . 1 1 31 31 VAL C C 24 177.426 177.426 176.093 1.333 17827
2633 1 6 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.128 -5.598 17827
2634 1 6 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.269 -0.229 17827
2635 1 6 . 1 1 31 31 VAL H H 24 9.043 9.043 8.784 0.259 17827
2636 1 6 . 1 1 32 32 THR N N 25 122.484 122.484 120.208 2.276 17827
2637 1 6 . 1 1 32 32 THR HA H 25 3.970 3.970 4.424 -0.454 17827
2638 1 6 . 1 1 32 32 THR C C 25 177.437 177.437 175.212 2.225 17827
2639 1 6 . 1 1 32 32 THR CA C 25 66.470 66.470 61.516 4.954 17827
2640 1 6 . 1 1 32 32 THR CB C 25 68.220 68.220 69.964 -1.744 17827
2641 1 6 . 1 1 32 32 THR H H 25 8.245 8.245 8.504 -0.259 17827
2642 1 6 . 1 1 34 34 VAL N N 27 114.090 114.090 117.488 -3.398 17827
2643 1 6 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.114 0.386 17827
2644 1 6 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.651 -8.431 17827
2645 1 6 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.312 -6.252 17827
2646 1 6 . 1 1 34 34 VAL H H 27 6.977 6.977 7.368 -0.391 17827
2647 1 6 . 1 1 35 35 ASN N N 28 116.829 116.829 116.658 0.171 17827
2648 1 6 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.438 -0.139 17827
2649 1 6 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.310 -0.660 17827
2650 1 6 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.412 -0.302 17827
2651 1 6 . 1 1 35 35 ASN H H 28 7.897 7.897 8.187 -0.290 17827
2652 1 6 . 1 1 36 36 ARG N N 29 114.310 114.310 117.324 -3.014 17827
2653 1 6 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.684 0.016 17827
2654 1 6 . 1 1 36 36 ARG C C 29 173.347 173.347 173.940 -0.593 17827
2655 1 6 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.835 0.065 17827
2656 1 6 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.152 2.548 17827
2657 1 6 . 1 1 36 36 ARG H H 29 6.787 6.787 7.629 -0.842 17827
2658 1 6 . 1 1 37 37 ASP N N 30 124.071 124.071 117.892 6.179 17827
2659 1 6 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.697 0.778 17827
2660 1 6 . 1 1 37 37 ASP C C 30 175.354 175.354 174.650 0.704 17827
2661 1 6 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.321 0.339 17827
2662 1 6 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.542 -0.282 17827
2663 1 6 . 1 1 37 37 ASP H H 30 8.760 8.760 8.385 0.375 17827
2664 1 6 . 1 1 38 38 VAL N N 31 123.300 123.300 118.440 4.860 17827
2665 1 6 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.497 -0.227 17827
2666 1 6 . 1 1 38 38 VAL C C 31 174.203 174.203 174.263 -0.060 17827
2667 1 6 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.864 0.836 17827
2668 1 6 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.064 -1.444 17827
2669 1 6 . 1 1 38 38 VAL H H 31 9.187 9.187 7.916 1.271 17827
2670 1 6 . 1 1 39 39 THR N N 32 119.766 119.766 114.179 5.587 17827
2671 1 6 . 1 1 39 39 THR HA H 32 5.095 5.095 4.878 0.217 17827
2672 1 6 . 1 1 39 39 THR C C 32 173.547 173.547 173.064 0.483 17827
2673 1 6 . 1 1 39 39 THR CA C 32 60.550 60.550 60.213 0.337 17827
2674 1 6 . 1 1 39 39 THR CB C 32 70.170 70.170 70.828 -0.658 17827
2675 1 6 . 1 1 39 39 THR H H 32 8.360 8.360 8.133 0.227 17827
2676 1 6 . 1 1 40 40 LEU N N 33 124.522 124.522 122.624 1.898 17827
2677 1 6 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.606 -0.016 17827
2678 1 6 . 1 1 40 40 LEU C C 33 174.691 174.691 175.794 -1.103 17827
2679 1 6 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.746 -1.166 17827
2680 1 6 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.350 1.060 17827
2681 1 6 . 1 1 40 40 LEU H H 33 8.750 8.750 8.120 0.630 17827
2682 1 6 . 1 1 41 41 ARG N N 34 122.712 122.712 123.938 -1.226 17827
2683 1 6 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.748 -0.068 17827
2684 1 6 . 1 1 41 41 ARG C C 34 175.700 175.700 174.489 1.211 17827
2685 1 6 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.861 0.559 17827
2686 1 6 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.503 -0.003 17827
2687 1 6 . 1 1 41 41 ARG H H 34 8.345 8.345 8.771 -0.426 17827
2688 1 6 . 1 1 42 42 VAL N N 35 117.728 117.728 117.818 -0.090 17827
2689 1 6 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.497 -0.032 17827
2690 1 6 . 1 1 42 42 VAL C C 35 173.184 173.184 173.408 -0.224 17827
2691 1 6 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.287 -0.617 17827
2692 1 6 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.156 0.894 17827
2693 1 6 . 1 1 42 42 VAL H H 35 8.640 8.640 7.862 0.778 17827
2694 1 6 . 1 1 43 43 THR N N 36 104.359 104.359 109.277 -4.918 17827
2695 1 6 . 1 1 43 43 THR HA H 36 4.660 4.660 2.404 2.256 17827
2696 1 6 . 1 1 43 43 THR C C 36 174.862 174.862 174.833 0.029 17827
2697 1 6 . 1 1 43 43 THR CA C 36 59.010 59.010 58.970 0.040 17827
2698 1 6 . 1 1 43 43 THR CB C 36 71.570 71.570 71.243 0.327 17827
2699 1 6 . 1 1 43 43 THR H H 36 6.220 6.220 7.961 -1.741 17827
2700 1 6 . 1 1 44 44 GLY N N 37 105.946 105.946 106.836 -0.890 17827
2701 1 6 . 1 1 44 44 GLY C C 37 173.394 173.394 174.374 -0.980 17827
2702 1 6 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.934 -0.104 17827
2703 1 6 . 1 1 44 44 GLY H H 37 9.160 9.160 8.672 0.488 17827
2704 1 6 . 1 1 45 45 GLU N N 38 113.875 113.875 116.235 -2.360 17827
2705 1 6 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.396 -0.106 17827
2706 1 6 . 1 1 45 45 GLU C C 38 176.167 176.167 176.212 -0.045 17827
2707 1 6 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.755 -0.255 17827
2708 1 6 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.400 1.550 17827
2709 1 6 . 1 1 45 45 GLU H H 38 7.500 7.500 7.653 -0.153 17827
2710 1 6 . 1 1 46 46 VAL N N 39 121.577 121.577 121.217 0.360 17827
2711 1 6 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.927 -0.107 17827
2712 1 6 . 1 1 46 46 VAL C C 39 174.651 174.651 174.840 -0.189 17827
2713 1 6 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.124 1.796 17827
2714 1 6 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.704 -1.114 17827
2715 1 6 . 1 1 46 46 VAL H H 39 7.260 7.260 7.494 -0.234 17827
2716 1 6 . 1 1 47 47 HIS N N 40 123.391 123.391 125.954 -2.563 17827
2717 1 6 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.586 0.626 17827
2718 1 6 . 1 1 47 47 HIS C C 40 177.440 177.440 176.275 1.165 17827
2719 1 6 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.712 -1.052 17827
2720 1 6 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.287 0.623 17827
2721 1 6 . 1 1 47 47 HIS H H 40 8.285 8.285 8.497 -0.212 17827
2722 1 6 . 1 1 48 48 ILE N N 41 124.071 124.071 124.562 -0.491 17827
2723 1 6 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.861 -0.331 17827
2724 1 6 . 1 1 48 48 ILE C C 41 178.941 178.941 178.123 0.818 17827
2725 1 6 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.545 -3.215 17827
2726 1 6 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.937 -3.707 17827
2727 1 6 . 1 1 48 48 ILE H H 41 8.863 8.863 8.702 0.161 17827
2728 1 6 . 1 1 49 49 GLY N N 42 106.853 106.853 105.056 1.797 17827
2729 1 6 . 1 1 49 49 GLY C C 42 175.669 175.669 175.533 0.136 17827
2730 1 6 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.348 -1.028 17827
2731 1 6 . 1 1 49 49 GLY H H 42 9.720 9.720 8.685 1.035 17827
2732 1 6 . 1 1 50 50 GLY N N 43 109.571 109.571 109.263 0.308 17827
2733 1 6 . 1 1 50 50 GLY C C 43 175.847 175.847 175.369 0.478 17827
2734 1 6 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.473 1.527 17827
2735 1 6 . 1 1 50 50 GLY H H 43 6.950 6.950 8.249 -1.299 17827
2736 1 6 . 1 1 51 51 VAL N N 44 123.163 123.163 124.632 -1.469 17827
2737 1 6 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.584 -0.469 17827
2738 1 6 . 1 1 51 51 VAL C C 44 176.804 176.804 177.957 -1.153 17827
2739 1 6 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.193 -0.533 17827
2740 1 6 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.136 -1.407 17827
2741 1 6 . 1 1 51 51 VAL H H 44 7.860 7.860 8.725 -0.865 17827
2742 1 6 . 1 1 52 52 MET N N 45 115.913 115.913 117.445 -1.532 17827
2743 1 6 . 1 1 52 52 MET HA H 45 3.410 3.410 4.431 -1.021 17827
2744 1 6 . 1 1 52 52 MET C C 45 176.881 176.881 178.115 -1.234 17827
2745 1 6 . 1 1 52 52 MET CA C 45 59.830 59.830 59.568 0.262 17827
2746 1 6 . 1 1 52 52 MET CB C 45 32.310 32.310 32.129 0.181 17827
2747 1 6 . 1 1 52 52 MET H H 45 7.940 7.940 7.778 0.162 17827
2748 1 6 . 1 1 53 53 LEU N N 46 118.291 118.291 122.037 -3.746 17827
2749 1 6 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.192 -0.252 17827
2750 1 6 . 1 1 53 53 LEU C C 46 179.178 179.178 179.360 -0.182 17827
2751 1 6 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.240 0.260 17827
2752 1 6 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.199 0.731 17827
2753 1 6 . 1 1 53 53 LEU H H 46 7.550 7.550 7.850 -0.300 17827
2754 1 6 . 1 1 54 54 LYS N N 47 118.142 118.142 118.952 -0.810 17827
2755 1 6 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.061 -0.191 17827
2756 1 6 . 1 1 54 54 LYS C C 47 178.616 178.616 179.222 -0.606 17827
2757 1 6 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.202 -1.222 17827
2758 1 6 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.072 0.248 17827
2759 1 6 . 1 1 54 54 LYS H H 47 7.665 7.665 8.681 -1.016 17827
2760 1 6 . 1 1 55 55 LEU N N 48 119.385 119.385 120.435 -1.050 17827
2761 1 6 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.288 -0.718 17827
2762 1 6 . 1 1 55 55 LEU C C 48 177.405 177.405 177.813 -0.408 17827
2763 1 6 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.710 0.080 17827
2764 1 6 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.175 -0.585 17827
2765 1 6 . 1 1 55 55 LEU H H 48 7.975 7.975 7.604 0.371 17827
2766 1 6 . 1 1 56 56 VAL N N 49 116.141 116.141 120.509 -4.368 17827
2767 1 6 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.609 -0.619 17827
2768 1 6 . 1 1 56 56 VAL C C 49 178.564 178.564 178.889 -0.325 17827
2769 1 6 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.879 -0.569 17827
2770 1 6 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.748 -0.448 17827
2771 1 6 . 1 1 56 56 VAL H H 49 7.615 7.615 8.971 -1.356 17827
2772 1 6 . 1 1 57 57 GLU N N 50 118.631 118.631 118.347 0.284 17827
2773 1 6 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.209 -0.244 17827
2774 1 6 . 1 1 57 57 GLU C C 50 178.030 178.030 178.380 -0.350 17827
2775 1 6 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.806 -0.306 17827
2776 1 6 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.455 0.155 17827
2777 1 6 . 1 1 57 57 GLU H H 50 7.575 7.575 8.954 -1.379 17827
2778 1 6 . 1 1 58 58 LYS N N 51 117.053 117.053 118.040 -0.987 17827
2779 1 6 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.082 0.048 17827
2780 1 6 . 1 1 58 58 LYS C C 51 176.956 176.956 177.499 -0.543 17827
2781 1 6 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.461 -1.801 17827
2782 1 6 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.304 -0.644 17827
2783 1 6 . 1 1 58 58 LYS H H 51 7.490 7.490 7.580 -0.090 17827
2784 1 6 . 1 1 59 59 LEU N N 52 119.460 119.460 117.592 1.868 17827
2785 1 6 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.520 -0.398 17827
2786 1 6 . 1 1 59 59 LEU C C 52 176.645 176.645 174.565 2.080 17827
2787 1 6 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.645 3.015 17827
2788 1 6 . 1 1 59 59 LEU CB C 52 42.700 42.700 44.677 -1.977 17827
2789 1 6 . 1 1 59 59 LEU H H 52 7.470 7.470 7.847 -0.377 17827
2790 1 6 . 1 1 62 62 LYS C C 55 175.670 175.670 176.207 -0.537 17827
2791 1 6 . 1 1 63 63 LYS N N 56 122.430 122.430 121.764 0.666 17827
2792 1 6 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.227 -0.197 17827
2793 1 6 . 1 1 63 63 LYS C C 56 172.850 172.850 175.609 -2.759 17827
2794 1 6 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.376 -1.846 17827
2795 1 6 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.390 1.050 17827
2796 1 6 . 1 1 63 63 LYS H H 56 7.245 7.245 7.223 0.022 17827
2797 1 6 . 1 1 64 64 ASP N N 57 118.867 118.867 121.166 -2.299 17827
2798 1 6 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.141 0.389 17827
2799 1 6 . 1 1 64 64 ASP C C 57 176.710 176.710 175.334 1.376 17827
2800 1 6 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.913 -2.413 17827
2801 1 6 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.772 -0.452 17827
2802 1 6 . 1 1 64 64 ASP H H 57 7.867 7.867 8.154 -0.287 17827
2803 1 6 . 1 1 65 65 TRP N N 58 128.827 128.827 121.685 7.142 17827
2804 1 6 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.704 -0.164 17827
2805 1 6 . 1 1 65 65 TRP C C 58 178.390 178.390 177.649 0.741 17827
2806 1 6 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.073 -6.213 17827
2807 1 6 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.251 0.169 17827
2808 1 6 . 1 1 65 65 TRP H H 58 8.790 8.790 7.935 0.855 17827
2809 1 6 . 1 1 66 66 SER N N 59 117.724 117.724 115.021 2.703 17827
2810 1 6 . 1 1 66 66 SER HA H 59 4.143 4.143 4.508 -0.365 17827
2811 1 6 . 1 1 66 66 SER C C 59 174.471 174.471 175.264 -0.793 17827
2812 1 6 . 1 1 66 66 SER CA C 59 62.350 62.350 59.875 2.475 17827
2813 1 6 . 1 1 66 66 SER CB C 59 63.110 63.110 62.962 0.148 17827
2814 1 6 . 1 1 66 66 SER H H 59 8.637 8.637 8.219 0.418 17827
2815 1 6 . 1 1 67 67 ASP N N 60 121.042 121.042 119.534 1.508 17827
2816 1 6 . 1 1 67 67 ASP C C 60 176.206 176.206 176.738 -0.532 17827
2817 1 6 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.943 1.617 17827
2818 1 6 . 1 1 67 67 ASP H H 60 8.895 8.895 8.261 0.634 17827
2819 1 6 . 1 1 68 68 HIS N N 61 121.519 121.519 117.892 3.627 17827
2820 1 6 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.384 0.106 17827
2821 1 6 . 1 1 68 68 HIS C C 61 174.546 174.546 173.888 0.658 17827
2822 1 6 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.428 1.512 17827
2823 1 6 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.871 8.539 17827
2824 1 6 . 1 1 68 68 HIS H H 61 7.958 7.958 7.375 0.583 17827
2825 1 6 . 1 1 69 69 ALA N N 62 122.256 122.256 117.803 4.453 17827
2826 1 6 . 1 1 69 69 ALA C C 62 175.294 175.294 174.654 0.640 17827
2827 1 6 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.729 -0.259 17827
2828 1 6 . 1 1 69 69 ALA H H 62 8.575 8.575 8.757 -0.182 17827
2829 1 6 . 1 1 70 70 LEU N N 63 118.904 118.904 120.298 -1.394 17827
2830 1 6 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.874 0.780 17827
2831 1 6 . 1 1 70 70 LEU C C 63 174.445 174.445 176.406 -1.961 17827
2832 1 6 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.106 0.824 17827
2833 1 6 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.991 2.309 17827
2834 1 6 . 1 1 70 70 LEU H H 63 9.150 9.150 8.791 0.359 17827
2835 1 6 . 1 1 71 71 TRP N N 64 125.367 125.367 127.336 -1.969 17827
2836 1 6 . 1 1 71 71 TRP C C 64 174.010 174.010 175.308 -1.298 17827
2837 1 6 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.023 2.187 17827
2838 1 6 . 1 1 71 71 TRP H H 64 9.590 9.590 8.443 1.147 17827
2839 1 6 . 1 1 72 72 TRP N N 65 129.982 129.982 130.157 -0.175 17827
2840 1 6 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.681 0.299 17827
2841 1 6 . 1 1 72 72 TRP C C 65 174.335 174.335 176.116 -1.781 17827
2842 1 6 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.063 -3.623 17827
2843 1 6 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.521 -0.031 17827
2844 1 6 . 1 1 72 72 TRP H H 65 8.277 8.277 8.294 -0.017 17827
2845 1 6 . 1 1 73 73 GLU N N 66 129.112 129.112 126.034 3.078 17827
2846 1 6 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.503 -0.203 17827
2847 1 6 . 1 1 73 73 GLU C C 66 178.595 178.595 177.169 1.426 17827
2848 1 6 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.236 0.684 17827
2849 1 6 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.730 0.330 17827
2850 1 6 . 1 1 73 73 GLU H H 66 8.969 8.969 9.241 -0.272 17827
2851 1 6 . 1 1 74 74 LYS N N 67 117.492 117.492 119.788 -2.296 17827
2852 1 6 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.396 0.306 17827
2853 1 6 . 1 1 74 74 LYS C C 67 176.361 176.361 177.529 -1.168 17827
2854 1 6 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.374 0.286 17827
2855 1 6 . 1 1 74 74 LYS CB C 67 32.020 32.020 30.891 1.129 17827
2856 1 6 . 1 1 74 74 LYS H H 67 7.860 7.860 7.810 0.050 17827
2857 1 6 . 1 1 75 75 LYS N N 68 121.233 121.233 112.657 8.576 17827
2858 1 6 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.225 -0.290 17827
2859 1 6 . 1 1 75 75 LYS C C 68 174.183 174.183 175.498 -1.315 17827
2860 1 6 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.144 -1.744 17827
2861 1 6 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.664 -0.464 17827
2862 1 6 . 1 1 75 75 LYS H H 68 7.500 7.500 7.038 0.462 17827
2863 1 6 . 1 1 76 76 ARG N N 69 121.125 121.125 117.180 3.945 17827
2864 1 6 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.838 0.052 17827
2865 1 6 . 1 1 76 76 ARG C C 69 173.984 173.984 174.126 -0.142 17827
2866 1 6 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.508 -0.192 17827
2867 1 6 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.788 0.302 17827
2868 1 6 . 1 1 76 76 ARG H H 69 7.500 7.500 7.863 -0.363 17827
2869 1 6 . 1 1 77 77 THR N N 70 110.478 110.478 111.329 -0.851 17827
2870 1 6 . 1 1 77 77 THR HA H 70 4.650 4.650 4.203 0.447 17827
2871 1 6 . 1 1 77 77 THR C C 70 171.846 171.846 172.142 -0.296 17827
2872 1 6 . 1 1 77 77 THR CA C 70 61.630 61.630 59.372 2.258 17827
2873 1 6 . 1 1 77 77 THR CB C 70 72.210 72.210 70.906 1.304 17827
2874 1 6 . 1 1 77 77 THR H H 70 6.280 6.280 6.904 -0.624 17827
2875 1 6 . 1 1 78 78 TRP N N 71 127.244 127.244 119.540 7.704 17827
2876 1 6 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.584 -0.834 17827
2877 1 6 . 1 1 78 78 TRP C C 71 177.303 177.303 176.140 1.163 17827
2878 1 6 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.404 0.836 17827
2879 1 6 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.163 -1.663 17827
2880 1 6 . 1 1 78 78 TRP H H 71 8.795 8.795 8.304 0.491 17827
2881 1 6 . 1 1 79 79 LEU N N 72 125.202 125.202 123.194 2.008 17827
2882 1 6 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.862 -0.362 17827
2883 1 6 . 1 1 79 79 LEU C C 72 175.667 175.667 176.578 -0.911 17827
2884 1 6 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.470 -1.960 17827
2885 1 6 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.077 -2.837 17827
2886 1 6 . 1 1 79 79 LEU H H 72 9.175 9.175 8.563 0.612 17827
2887 1 6 . 1 1 80 80 LEU N N 73 119.170 119.170 123.549 -4.379 17827
2888 1 6 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.522 -0.142 17827
2889 1 6 . 1 1 80 80 LEU C C 73 178.139 178.139 176.758 1.381 17827
2890 1 6 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.519 -0.819 17827
2891 1 6 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.825 -0.655 17827
2892 1 6 . 1 1 80 80 LEU H H 73 7.280 7.280 8.425 -1.145 17827
2893 1 6 . 1 1 81 81 LYS N N 74 119.766 119.766 117.906 1.860 17827
2894 1 6 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.346 0.089 17827
2895 1 6 . 1 1 81 81 LYS C C 74 176.601 176.601 177.089 -0.488 17827
2896 1 6 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.555 -1.895 17827
2897 1 6 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.431 -4.891 17827
2898 1 6 . 1 1 81 81 LYS H H 74 7.865 7.865 7.740 0.125 17827
2899 1 6 . 1 1 82 82 THR N N 75 115.636 115.636 115.235 0.401 17827
2900 1 6 . 1 1 82 82 THR HA H 75 3.800 3.800 4.332 -0.532 17827
2901 1 6 . 1 1 82 82 THR C C 75 174.806 174.806 175.380 -0.574 17827
2902 1 6 . 1 1 82 82 THR CA C 75 64.650 64.650 64.903 -0.253 17827
2903 1 6 . 1 1 82 82 THR CB C 75 68.260 68.260 68.802 -0.542 17827
2904 1 6 . 1 1 82 82 THR H H 75 7.910 7.910 8.720 -0.810 17827
2905 1 6 . 1 1 83 83 HIS N N 76 116.767 116.767 119.672 -2.905 17827
2906 1 6 . 1 1 83 83 HIS C C 76 176.370 176.370 174.400 1.970 17827
2907 1 6 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.553 0.657 17827
2908 1 6 . 1 1 83 83 HIS H H 76 8.965 8.965 8.461 0.504 17827
2909 1 6 . 1 1 84 84 TRP N N 77 123.905 123.905 117.625 6.280 17827
2910 1 6 . 1 1 84 84 TRP C C 77 175.584 175.584 175.304 0.280 17827
2911 1 6 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.072 2.318 17827
2912 1 6 . 1 1 84 84 TRP H H 77 7.635 7.635 7.566 0.069 17827
2913 1 6 . 1 1 85 85 THR N N 78 108.440 108.440 113.551 -5.111 17827
2914 1 6 . 1 1 85 85 THR HA H 78 4.900 4.900 4.165 0.735 17827
2915 1 6 . 1 1 85 85 THR C C 78 175.691 175.691 176.322 -0.631 17827
2916 1 6 . 1 1 85 85 THR CA C 78 59.500 59.500 63.447 -3.947 17827
2917 1 6 . 1 1 85 85 THR CB C 78 70.600 70.600 69.695 0.905 17827
2918 1 6 . 1 1 85 85 THR H H 78 7.030 7.030 7.521 -0.491 17827
2919 1 6 . 1 1 86 86 LEU N N 79 119.766 119.766 120.940 -1.174 17827
2920 1 6 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.096 -0.056 17827
2921 1 6 . 1 1 86 86 LEU C C 79 179.734 179.734 179.130 0.604 17827
2922 1 6 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.278 -0.528 17827
2923 1 6 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.670 -0.221 17827
2924 1 6 . 1 1 86 86 LEU H H 79 8.045 8.045 8.924 -0.879 17827
2925 1 6 . 1 1 87 87 ASP N N 80 118.407 118.407 119.526 -1.119 17827
2926 1 6 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.509 -0.069 17827
2927 1 6 . 1 1 87 87 ASP C C 80 179.152 179.152 178.817 0.335 17827
2928 1 6 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.133 0.187 17827
2929 1 6 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.383 -0.063 17827
2930 1 6 . 1 1 87 87 ASP H H 80 8.935 8.935 8.626 0.309 17827
2931 1 6 . 1 1 88 88 LYS N N 81 123.300 123.300 120.193 3.107 17827
2932 1 6 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.836 -0.136 17827
2933 1 6 . 1 1 88 88 LYS C C 81 178.721 178.721 178.235 0.486 17827
2934 1 6 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.839 0.181 17827
2935 1 6 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.799 -0.160 17827
2936 1 6 . 1 1 88 88 LYS H H 81 8.055 8.055 8.033 0.022 17827
2937 1 6 . 1 1 89 89 TYR N N 82 115.690 115.690 116.403 -0.713 17827
2938 1 6 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.460 0.120 17827
2939 1 6 . 1 1 89 89 TYR C C 82 176.164 176.164 175.972 0.192 17827
2940 1 6 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.578 2.172 17827
2941 1 6 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.292 1.458 17827
2942 1 6 . 1 1 89 89 TYR H H 82 7.730 7.730 7.772 -0.042 17827
2943 1 6 . 1 1 90 90 GLY N N 83 108.212 108.212 106.409 1.803 17827
2944 1 6 . 1 1 90 90 GLY C C 83 174.555 174.555 174.483 0.072 17827
2945 1 6 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.827 0.683 17827
2946 1 6 . 1 1 90 90 GLY H H 83 8.030 8.030 8.021 0.009 17827
2947 1 6 . 1 1 91 91 ILE N N 84 122.960 122.960 120.706 2.254 17827
2948 1 6 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.245 -0.875 17827
2949 1 6 . 1 1 91 91 ILE C C 84 173.611 173.611 175.030 -1.419 17827
2950 1 6 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.182 0.518 17827
2951 1 6 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.382 -1.772 17827
2952 1 6 . 1 1 91 91 ILE H H 84 7.850 7.850 8.031 -0.181 17827
2953 1 6 . 1 1 92 92 GLN N N 85 125.429 125.429 124.149 1.280 17827
2954 1 6 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.960 -0.080 17827
2955 1 6 . 1 1 92 92 GLN C C 85 174.756 174.756 174.833 -0.077 17827
2956 1 6 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.695 -0.975 17827
2957 1 6 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.906 0.244 17827
2958 1 6 . 1 1 92 92 GLN H H 85 7.700 7.700 8.167 -0.467 17827
2959 1 6 . 1 1 93 93 ALA N N 86 118.217 118.217 120.725 -2.508 17827
2960 1 6 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.005 -0.205 17827
2961 1 6 . 1 1 93 93 ALA C C 86 177.201 177.201 177.525 -0.324 17827
2962 1 6 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.337 0.743 17827
2963 1 6 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.322 0.088 17827
2964 1 6 . 1 1 93 93 ALA H H 86 6.886 6.886 7.711 -0.825 17827
2965 1 6 . 1 1 94 94 ASP N N 87 113.647 113.647 117.503 -3.856 17827
2966 1 6 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.509 -0.089 17827
2967 1 6 . 1 1 94 94 ASP C C 87 176.218 176.218 175.174 1.044 17827
2968 1 6 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.691 0.370 17827
2969 1 6 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.918 -1.318 17827
2970 1 6 . 1 1 94 94 ASP H H 87 8.223 8.223 7.981 0.242 17827
2971 1 6 . 1 1 95 95 ALA N N 88 124.145 124.145 122.684 1.461 17827
2972 1 6 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.469 -0.163 17827
2973 1 6 . 1 1 95 95 ALA C C 88 176.630 176.630 176.528 0.102 17827
2974 1 6 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.504 1.816 17827
2975 1 6 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.241 0.780 17827
2976 1 6 . 1 1 95 95 ALA H H 88 7.941 7.941 7.117 0.824 17827
2977 1 6 . 1 1 96 96 LYS N N 89 120.897 120.897 126.695 -5.798 17827
2978 1 6 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.462 0.364 17827
2979 1 6 . 1 1 96 96 LYS C C 89 176.161 176.161 175.981 0.180 17827
2980 1 6 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.279 -0.543 17827
2981 1 6 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.492 0.898 17827
2982 1 6 . 1 1 96 96 LYS H H 89 8.500 8.500 8.548 -0.048 17827
2983 1 6 . 1 1 97 97 LEU N N 90 122.960 122.960 123.233 -0.273 17827
2984 1 6 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.109 0.966 17827
2985 1 6 . 1 1 97 97 LEU C C 90 176.394 176.394 177.243 -0.849 17827
2986 1 6 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.685 -1.625 17827
2987 1 6 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.781 2.070 17827
2988 1 6 . 1 1 97 97 LEU H H 90 8.566 8.566 8.440 0.126 17827
2989 1 6 . 1 1 98 98 GLN N N 91 119.538 119.538 115.959 3.579 17827
2990 1 6 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.878 0.832 17827
2991 1 6 . 1 1 98 98 GLN C C 91 174.144 174.144 174.624 -0.480 17827
2992 1 6 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.766 -0.406 17827
2993 1 6 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.982 -0.692 17827
2994 1 6 . 1 1 98 98 GLN H H 91 9.060 9.060 7.966 1.094 17827
2995 1 6 . 1 1 99 99 PHE N N 92 125.674 125.674 120.253 5.421 17827
2996 1 6 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.337 0.363 17827
2997 1 6 . 1 1 99 99 PHE C C 92 174.537 174.537 173.843 0.694 17827
2998 1 6 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.634 -2.444 17827
2999 1 6 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.660 -2.580 17827
3000 1 6 . 1 1 99 99 PHE H H 92 9.290 9.290 9.667 -0.377 17827
3001 1 6 . 1 1 100 100 THR N N 93 124.543 124.543 117.946 6.597 17827
3002 1 6 . 1 1 100 100 THR HA H 93 5.100 5.100 4.817 0.283 17827
3003 1 6 . 1 1 100 100 THR C C 93 180.164 180.164 171.700 8.464 17827
3004 1 6 . 1 1 100 100 THR CA C 93 58.830 58.830 59.256 -0.426 17827
3005 1 6 . 1 1 100 100 THR CB C 93 73.610 73.610 71.172 2.438 17827
3006 1 6 . 1 1 100 100 THR H H 93 8.945 8.945 8.750 0.195 17827
3007 1 7 . 1 1 9 9 ALA N N 2 124.336 124.336 123.500 0.836 17827
3008 1 7 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.219 -0.009 17827
3009 1 7 . 1 1 9 9 ALA C C 2 177.598 177.598 176.626 0.972 17827
3010 1 7 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.903 0.537 17827
3011 1 7 . 1 1 9 9 ALA CB C 2 19.030 19.030 17.945 1.085 17827
3012 1 7 . 1 1 9 9 ALA H H 2 8.018 8.018 8.314 -0.296 17827
3013 1 7 . 1 1 10 10 LEU N N 3 121.125 121.125 121.050 0.075 17827
3014 1 7 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.172 0.038 17827
3015 1 7 . 1 1 10 10 LEU C C 3 177.094 177.094 177.858 -0.764 17827
3016 1 7 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.011 -0.691 17827
3017 1 7 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.412 -0.242 17827
3018 1 7 . 1 1 10 10 LEU H H 3 8.057 8.057 8.298 -0.241 17827
3019 1 7 . 1 1 11 11 ASP N N 4 119.766 119.766 113.850 5.916 17827
3020 1 7 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.549 -0.074 17827
3021 1 7 . 1 1 11 11 ASP C C 4 176.509 176.509 175.967 0.542 17827
3022 1 7 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.575 -0.025 17827
3023 1 7 . 1 1 11 11 ASP CB C 4 40.950 40.950 42.384 -1.434 17827
3024 1 7 . 1 1 11 11 ASP H H 4 8.145 8.145 7.886 0.259 17827
3025 1 7 . 1 1 12 12 GLY N N 5 108.440 108.440 108.635 -0.195 17827
3026 1 7 . 1 1 12 12 GLY C C 5 173.692 173.692 174.600 -0.908 17827
3027 1 7 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.094 0.216 17827
3028 1 7 . 1 1 12 12 GLY H H 5 8.110 8.110 8.165 -0.055 17827
3029 1 7 . 1 1 13 13 ILE N N 6 119.766 119.766 120.181 -0.415 17827
3030 1 7 . 1 1 13 13 ILE HA H 6 4.100 4.100 4.129 -0.029 17827
3031 1 7 . 1 1 13 13 ILE C C 6 175.525 175.525 176.365 -0.840 17827
3032 1 7 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.357 -1.647 17827
3033 1 7 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.166 0.264 17827
3034 1 7 . 1 1 13 13 ILE H H 6 7.790 7.790 8.168 -0.378 17827
3035 1 7 . 1 1 14 14 ARG N N 7 125.657 125.657 118.574 7.083 17827
3036 1 7 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.312 -0.102 17827
3037 1 7 . 1 1 14 14 ARG C C 7 175.810 175.810 175.777 0.033 17827
3038 1 7 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.423 -1.783 17827
3039 1 7 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.530 -0.540 17827
3040 1 7 . 1 1 14 14 ARG H H 7 8.410 8.410 8.369 0.041 17827
3041 1 7 . 1 1 15 15 MET N N 8 123.598 123.598 112.327 11.271 17827
3042 1 7 . 1 1 15 15 MET HA H 8 4.210 4.210 4.743 -0.533 17827
3043 1 7 . 1 1 15 15 MET C C 8 174.950 174.950 174.432 0.518 17827
3044 1 7 . 1 1 15 15 MET CA C 8 55.330 55.330 56.239 -0.909 17827
3045 1 7 . 1 1 15 15 MET CB C 8 31.730 31.730 31.107 0.623 17827
3046 1 7 . 1 1 15 15 MET H H 8 8.495 8.495 7.781 0.714 17827
3047 1 7 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.232 0.058 17827
3048 1 7 . 1 1 16 16 PRO C C 9 176.228 176.228 176.507 -0.279 17827
3049 1 7 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.802 -2.433 17827
3050 1 7 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.016 0.804 17827
3051 1 7 . 1 1 17 17 ASP N N 10 117.952 117.952 113.093 4.859 17827
3052 1 7 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.691 -0.271 17827
3053 1 7 . 1 1 17 17 ASP C C 10 176.714 176.714 176.341 0.373 17827
3054 1 7 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.271 -0.141 17827
3055 1 7 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.938 -0.508 17827
3056 1 7 . 1 1 17 17 ASP H H 10 8.076 8.076 8.165 -0.089 17827
3057 1 7 . 1 1 18 18 GLY N N 11 108.663 108.663 106.664 1.999 17827
3058 1 7 . 1 1 18 18 GLY C C 11 173.819 173.819 175.091 -1.272 17827
3059 1 7 . 1 1 18 18 GLY CA C 11 45.300 45.300 46.147 -0.847 17827
3060 1 7 . 1 1 18 18 GLY H H 11 8.255 8.255 8.571 -0.316 17827
3061 1 7 . 1 1 19 19 CYS N N 12 118.179 118.179 122.409 -4.230 17827
3062 1 7 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.231 0.319 17827
3063 1 7 . 1 1 19 19 CYS C C 12 174.073 174.073 174.757 -0.684 17827
3064 1 7 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.186 -3.766 17827
3065 1 7 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.259 1.141 17827
3066 1 7 . 1 1 19 19 CYS H H 12 7.850 7.850 8.836 -0.986 17827
3067 1 7 . 1 1 20 20 TYR N N 13 120.897 120.897 121.003 -0.106 17827
3068 1 7 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.573 -0.023 17827
3069 1 7 . 1 1 20 20 TYR C C 13 176.748 176.748 174.523 2.225 17827
3070 1 7 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.062 1.408 17827
3071 1 7 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.401 0.809 17827
3072 1 7 . 1 1 20 20 TYR H H 13 8.550 8.550 8.224 0.326 17827
3073 1 7 . 1 1 21 21 ALA N N 14 124.750 124.750 126.036 -1.286 17827
3074 1 7 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.701 0.489 17827
3075 1 7 . 1 1 21 21 ALA C C 14 177.181 177.181 176.922 0.259 17827
3076 1 7 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.369 -0.839 17827
3077 1 7 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.796 0.834 17827
3078 1 7 . 1 1 21 21 ALA H H 14 8.615 8.615 8.275 0.340 17827
3079 1 7 . 1 1 22 22 ASP N N 15 117.500 117.500 121.166 -3.666 17827
3080 1 7 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.679 -0.199 17827
3081 1 7 . 1 1 22 22 ASP C C 15 176.708 176.708 176.968 -0.260 17827
3082 1 7 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.530 -0.030 17827
3083 1 7 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.235 -1.505 17827
3084 1 7 . 1 1 22 22 ASP H H 15 7.960 7.960 8.346 -0.386 17827
3085 1 7 . 1 1 23 23 GLY N N 16 108.891 108.891 109.959 -1.068 17827
3086 1 7 . 1 1 23 23 GLY C C 16 174.373 174.373 173.616 0.757 17827
3087 1 7 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.476 -1.106 17827
3088 1 7 . 1 1 23 23 GLY H H 16 8.344 8.344 7.823 0.521 17827
3089 1 7 . 1 1 24 24 THR N N 17 110.929 110.929 112.377 -1.448 17827
3090 1 7 . 1 1 24 24 THR HA H 17 4.640 4.640 3.703 0.937 17827
3091 1 7 . 1 1 24 24 THR C C 17 173.620 173.620 174.192 -0.572 17827
3092 1 7 . 1 1 24 24 THR CA C 17 60.540 60.540 61.860 -1.320 17827
3093 1 7 . 1 1 24 24 THR CB C 17 72.100 72.100 69.711 2.389 17827
3094 1 7 . 1 1 24 24 THR H H 17 7.850 7.850 7.624 0.226 17827
3095 1 7 . 1 1 25 25 TRP N N 18 117.728 117.728 120.080 -2.352 17827
3096 1 7 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.850 0.095 17827
3097 1 7 . 1 1 25 25 TRP C C 18 174.164 174.164 173.847 0.317 17827
3098 1 7 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.384 -1.764 17827
3099 1 7 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.681 0.969 17827
3100 1 7 . 1 1 25 25 TRP H H 18 8.640 8.640 7.257 1.383 17827
3101 1 7 . 1 1 26 26 GLU N N 19 117.728 117.728 119.033 -1.305 17827
3102 1 7 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.901 -0.050 17827
3103 1 7 . 1 1 26 26 GLU C C 19 174.786 174.786 174.802 -0.016 17827
3104 1 7 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.738 0.972 17827
3105 1 7 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.375 -0.875 17827
3106 1 7 . 1 1 26 26 GLU H H 19 8.744 8.744 8.456 0.288 17827
3107 1 7 . 1 1 27 27 LEU N N 20 126.668 126.668 119.186 7.482 17827
3108 1 7 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.762 0.118 17827
3109 1 7 . 1 1 27 27 LEU C C 20 175.123 175.123 175.270 -0.147 17827
3110 1 7 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.635 -0.383 17827
3111 1 7 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.661 -1.381 17827
3112 1 7 . 1 1 27 27 LEU H H 20 8.980 8.980 8.766 0.214 17827
3113 1 7 . 1 1 28 28 SER N N 21 121.804 121.804 116.943 4.861 17827
3114 1 7 . 1 1 28 28 SER HA H 21 4.894 4.894 4.839 0.055 17827
3115 1 7 . 1 1 28 28 SER C C 21 173.483 173.483 172.725 0.758 17827
3116 1 7 . 1 1 28 28 SER CA C 21 57.880 57.880 57.390 0.490 17827
3117 1 7 . 1 1 28 28 SER CB C 21 63.920 63.920 64.994 -1.074 17827
3118 1 7 . 1 1 28 28 SER H H 21 8.785 8.785 8.405 0.380 17827
3119 1 7 . 1 1 29 29 VAL N N 22 125.881 125.881 122.085 3.796 17827
3120 1 7 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.458 -0.088 17827
3121 1 7 . 1 1 29 29 VAL C C 22 173.953 173.953 174.788 -0.835 17827
3122 1 7 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.602 0.838 17827
3123 1 7 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.627 -1.276 17827
3124 1 7 . 1 1 29 29 VAL H H 22 8.865 8.865 8.432 0.433 17827
3125 1 7 . 1 1 30 30 HIS N N 23 126.560 126.560 123.142 3.418 17827
3126 1 7 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.810 0.410 17827
3127 1 7 . 1 1 30 30 HIS C C 23 174.596 174.596 173.818 0.778 17827
3128 1 7 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.464 -0.214 17827
3129 1 7 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.418 -2.868 17827
3130 1 7 . 1 1 30 30 HIS H H 23 8.810 8.810 8.524 0.286 17827
3131 1 7 . 1 1 31 31 VAL N N 24 130.587 130.587 128.268 2.319 17827
3132 1 7 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.671 0.559 17827
3133 1 7 . 1 1 31 31 VAL C C 24 177.426 177.426 176.417 1.009 17827
3134 1 7 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.350 -5.820 17827
3135 1 7 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.040 0.000 17827
3136 1 7 . 1 1 31 31 VAL H H 24 9.043 9.043 8.791 0.252 17827
3137 1 7 . 1 1 32 32 THR N N 25 122.484 122.484 120.001 2.483 17827
3138 1 7 . 1 1 32 32 THR HA H 25 3.970 3.970 4.428 -0.458 17827
3139 1 7 . 1 1 32 32 THR C C 25 177.437 177.437 175.046 2.391 17827
3140 1 7 . 1 1 32 32 THR CA C 25 66.470 66.470 61.806 4.664 17827
3141 1 7 . 1 1 32 32 THR CB C 25 68.220 68.220 69.834 -1.614 17827
3142 1 7 . 1 1 32 32 THR H H 25 8.245 8.245 8.542 -0.297 17827
3143 1 7 . 1 1 34 34 VAL N N 27 114.090 114.090 116.858 -2.768 17827
3144 1 7 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.150 0.350 17827
3145 1 7 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.068 -7.848 17827
3146 1 7 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.398 -6.338 17827
3147 1 7 . 1 1 34 34 VAL H H 27 6.977 6.977 7.343 -0.366 17827
3148 1 7 . 1 1 35 35 ASN N N 28 116.829 116.829 116.185 0.644 17827
3149 1 7 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.449 -0.150 17827
3150 1 7 . 1 1 35 35 ASN CA C 28 53.650 53.650 53.896 -0.246 17827
3151 1 7 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.950 -0.840 17827
3152 1 7 . 1 1 35 35 ASN H H 28 7.897 7.897 8.211 -0.314 17827
3153 1 7 . 1 1 36 36 ARG N N 29 114.310 114.310 116.892 -2.582 17827
3154 1 7 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.687 0.013 17827
3155 1 7 . 1 1 36 36 ARG C C 29 173.347 173.347 173.822 -0.475 17827
3156 1 7 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.692 0.208 17827
3157 1 7 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.510 2.190 17827
3158 1 7 . 1 1 36 36 ARG H H 29 6.787 6.787 7.632 -0.845 17827
3159 1 7 . 1 1 37 37 ASP N N 30 124.071 124.071 117.699 6.372 17827
3160 1 7 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.650 0.825 17827
3161 1 7 . 1 1 37 37 ASP C C 30 175.354 175.354 174.551 0.803 17827
3162 1 7 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.232 0.428 17827
3163 1 7 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.160 -0.900 17827
3164 1 7 . 1 1 37 37 ASP H H 30 8.760 8.760 8.381 0.379 17827
3165 1 7 . 1 1 38 38 VAL N N 31 123.300 123.300 118.056 5.244 17827
3166 1 7 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.491 -0.221 17827
3167 1 7 . 1 1 38 38 VAL C C 31 174.203 174.203 174.380 -0.177 17827
3168 1 7 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.737 0.963 17827
3169 1 7 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.221 -1.601 17827
3170 1 7 . 1 1 38 38 VAL H H 31 9.187 9.187 8.036 1.151 17827
3171 1 7 . 1 1 39 39 THR N N 32 119.766 119.766 113.753 6.013 17827
3172 1 7 . 1 1 39 39 THR HA H 32 5.095 5.095 4.905 0.190 17827
3173 1 7 . 1 1 39 39 THR C C 32 173.547 173.547 173.082 0.465 17827
3174 1 7 . 1 1 39 39 THR CA C 32 60.550 60.550 60.133 0.417 17827
3175 1 7 . 1 1 39 39 THR CB C 32 70.170 70.170 71.201 -1.031 17827
3176 1 7 . 1 1 39 39 THR H H 32 8.360 8.360 8.134 0.226 17827
3177 1 7 . 1 1 40 40 LEU N N 33 124.522 124.522 122.807 1.715 17827
3178 1 7 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.615 -0.025 17827
3179 1 7 . 1 1 40 40 LEU C C 33 174.691 174.691 175.705 -1.014 17827
3180 1 7 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.663 -1.083 17827
3181 1 7 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.258 1.152 17827
3182 1 7 . 1 1 40 40 LEU H H 33 8.750 8.750 8.120 0.630 17827
3183 1 7 . 1 1 41 41 ARG N N 34 122.712 122.712 124.892 -2.180 17827
3184 1 7 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.686 -0.006 17827
3185 1 7 . 1 1 41 41 ARG C C 34 175.700 175.700 174.475 1.225 17827
3186 1 7 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.109 0.311 17827
3187 1 7 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.675 -0.175 17827
3188 1 7 . 1 1 41 41 ARG H H 34 8.345 8.345 8.761 -0.416 17827
3189 1 7 . 1 1 42 42 VAL N N 35 117.728 117.728 119.449 -1.721 17827
3190 1 7 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.489 -0.024 17827
3191 1 7 . 1 1 42 42 VAL C C 35 173.184 173.184 173.656 -0.472 17827
3192 1 7 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.832 -0.162 17827
3193 1 7 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.442 0.608 17827
3194 1 7 . 1 1 42 42 VAL H H 35 8.640 8.640 7.836 0.804 17827
3195 1 7 . 1 1 43 43 THR N N 36 104.359 104.359 108.307 -3.948 17827
3196 1 7 . 1 1 43 43 THR HA H 36 4.660 4.660 2.546 2.114 17827
3197 1 7 . 1 1 43 43 THR C C 36 174.862 174.862 175.162 -0.300 17827
3198 1 7 . 1 1 43 43 THR CA C 36 59.010 59.010 58.985 0.025 17827
3199 1 7 . 1 1 43 43 THR CB C 36 71.570 71.570 70.993 0.577 17827
3200 1 7 . 1 1 43 43 THR H H 36 6.220 6.220 7.983 -1.763 17827
3201 1 7 . 1 1 44 44 GLY N N 37 105.946 105.946 106.948 -1.002 17827
3202 1 7 . 1 1 44 44 GLY C C 37 173.394 173.394 174.611 -1.217 17827
3203 1 7 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.249 -0.419 17827
3204 1 7 . 1 1 44 44 GLY H H 37 9.160 9.160 8.619 0.541 17827
3205 1 7 . 1 1 45 45 GLU N N 38 113.875 113.875 117.037 -3.162 17827
3206 1 7 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.236 0.054 17827
3207 1 7 . 1 1 45 45 GLU C C 38 176.167 176.167 176.492 -0.325 17827
3208 1 7 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.948 -0.448 17827
3209 1 7 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.897 1.053 17827
3210 1 7 . 1 1 45 45 GLU H H 38 7.500 7.500 7.242 0.258 17827
3211 1 7 . 1 1 46 46 VAL N N 39 121.577 121.577 122.187 -0.610 17827
3212 1 7 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.921 -0.101 17827
3213 1 7 . 1 1 46 46 VAL C C 39 174.651 174.651 175.010 -0.359 17827
3214 1 7 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.989 1.931 17827
3215 1 7 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.089 -1.498 17827
3216 1 7 . 1 1 46 46 VAL H H 39 7.260 7.260 7.656 -0.396 17827
3217 1 7 . 1 1 47 47 HIS N N 40 123.391 123.391 126.373 -2.982 17827
3218 1 7 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.603 0.609 17827
3219 1 7 . 1 1 47 47 HIS C C 40 177.440 177.440 176.607 0.833 17827
3220 1 7 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.961 -2.301 17827
3221 1 7 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.038 -0.128 17827
3222 1 7 . 1 1 47 47 HIS H H 40 8.285 8.285 8.289 -0.004 17827
3223 1 7 . 1 1 48 48 ILE N N 41 124.071 124.071 124.479 -0.408 17827
3224 1 7 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.823 -0.293 17827
3225 1 7 . 1 1 48 48 ILE C C 41 178.941 178.941 178.178 0.763 17827
3226 1 7 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.320 -2.990 17827
3227 1 7 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.846 -3.616 17827
3228 1 7 . 1 1 48 48 ILE H H 41 8.863 8.863 8.909 -0.046 17827
3229 1 7 . 1 1 49 49 GLY N N 42 106.853 106.853 105.172 1.681 17827
3230 1 7 . 1 1 49 49 GLY C C 42 175.669 175.669 175.484 0.185 17827
3231 1 7 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.330 -1.010 17827
3232 1 7 . 1 1 49 49 GLY H H 42 9.720 9.720 8.704 1.016 17827
3233 1 7 . 1 1 50 50 GLY N N 43 109.571 109.571 109.020 0.551 17827
3234 1 7 . 1 1 50 50 GLY C C 43 175.847 175.847 175.563 0.284 17827
3235 1 7 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.677 1.323 17827
3236 1 7 . 1 1 50 50 GLY H H 43 6.950 6.950 8.252 -1.302 17827
3237 1 7 . 1 1 51 51 VAL N N 44 123.163 123.163 124.179 -1.016 17827
3238 1 7 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.668 -0.553 17827
3239 1 7 . 1 1 51 51 VAL C C 44 176.804 176.804 177.973 -1.169 17827
3240 1 7 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.454 -0.794 17827
3241 1 7 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.838 -1.108 17827
3242 1 7 . 1 1 51 51 VAL H H 44 7.860 7.860 8.732 -0.872 17827
3243 1 7 . 1 1 52 52 MET N N 45 115.913 115.913 117.629 -1.716 17827
3244 1 7 . 1 1 52 52 MET HA H 45 3.410 3.410 4.141 -0.731 17827
3245 1 7 . 1 1 52 52 MET C C 45 176.881 176.881 178.209 -1.328 17827
3246 1 7 . 1 1 52 52 MET CA C 45 59.830 59.830 59.603 0.227 17827
3247 1 7 . 1 1 52 52 MET CB C 45 32.310 32.310 31.815 0.495 17827
3248 1 7 . 1 1 52 52 MET H H 45 7.940 7.940 7.876 0.064 17827
3249 1 7 . 1 1 53 53 LEU N N 46 118.291 118.291 121.530 -3.239 17827
3250 1 7 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.146 -0.206 17827
3251 1 7 . 1 1 53 53 LEU C C 46 179.178 179.178 179.417 -0.239 17827
3252 1 7 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.181 0.319 17827
3253 1 7 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.202 0.728 17827
3254 1 7 . 1 1 53 53 LEU H H 46 7.550 7.550 7.783 -0.233 17827
3255 1 7 . 1 1 54 54 LYS N N 47 118.142 118.142 119.145 -1.003 17827
3256 1 7 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.205 -0.335 17827
3257 1 7 . 1 1 54 54 LYS C C 47 178.616 178.616 179.240 -0.624 17827
3258 1 7 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.163 -1.183 17827
3259 1 7 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.074 0.246 17827
3260 1 7 . 1 1 54 54 LYS H H 47 7.665 7.665 8.716 -1.052 17827
3261 1 7 . 1 1 55 55 LEU N N 48 119.385 119.385 120.431 -1.046 17827
3262 1 7 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.286 -0.716 17827
3263 1 7 . 1 1 55 55 LEU C C 48 177.405 177.405 177.806 -0.401 17827
3264 1 7 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.737 0.053 17827
3265 1 7 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.183 -0.593 17827
3266 1 7 . 1 1 55 55 LEU H H 48 7.975 7.975 7.705 0.270 17827
3267 1 7 . 1 1 56 56 VAL N N 49 116.141 116.141 119.499 -3.358 17827
3268 1 7 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.582 -0.592 17827
3269 1 7 . 1 1 56 56 VAL C C 49 178.564 178.564 178.425 0.139 17827
3270 1 7 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.903 -0.593 17827
3271 1 7 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.322 -0.022 17827
3272 1 7 . 1 1 56 56 VAL H H 49 7.615 7.615 8.972 -1.357 17827
3273 1 7 . 1 1 57 57 GLU N N 50 118.631 118.631 117.711 0.920 17827
3274 1 7 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.113 -0.148 17827
3275 1 7 . 1 1 57 57 GLU C C 50 178.030 178.030 177.860 0.170 17827
3276 1 7 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.749 -0.249 17827
3277 1 7 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.728 -0.118 17827
3278 1 7 . 1 1 57 57 GLU H H 50 7.575 7.575 8.740 -1.165 17827
3279 1 7 . 1 1 58 58 LYS N N 51 117.053 117.053 118.077 -1.024 17827
3280 1 7 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.024 0.106 17827
3281 1 7 . 1 1 58 58 LYS C C 51 176.956 176.956 178.354 -1.398 17827
3282 1 7 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.457 -1.797 17827
3283 1 7 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.825 -0.165 17827
3284 1 7 . 1 1 58 58 LYS H H 51 7.490 7.490 7.494 -0.004 17827
3285 1 7 . 1 1 59 59 LEU N N 52 119.460 119.460 119.080 0.380 17827
3286 1 7 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.053 0.069 17827
3287 1 7 . 1 1 59 59 LEU C C 52 176.645 176.645 177.094 -0.449 17827
3288 1 7 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.762 0.898 17827
3289 1 7 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.058 0.642 17827
3290 1 7 . 1 1 59 59 LEU H H 52 7.470 7.470 7.912 -0.442 17827
3291 1 7 . 1 1 62 62 LYS C C 55 175.670 175.670 176.206 -0.536 17827
3292 1 7 . 1 1 63 63 LYS N N 56 122.430 122.430 120.269 2.161 17827
3293 1 7 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.046 -0.016 17827
3294 1 7 . 1 1 63 63 LYS C C 56 172.850 172.850 175.177 -2.327 17827
3295 1 7 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.840 -1.310 17827
3296 1 7 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.105 1.335 17827
3297 1 7 . 1 1 63 63 LYS H H 56 7.245 7.245 7.446 -0.201 17827
3298 1 7 . 1 1 64 64 ASP N N 57 118.867 118.867 120.623 -1.756 17827
3299 1 7 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.791 0.739 17827
3300 1 7 . 1 1 64 64 ASP C C 57 176.710 176.710 174.514 2.196 17827
3301 1 7 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.863 -1.363 17827
3302 1 7 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.097 -0.777 17827
3303 1 7 . 1 1 64 64 ASP H H 57 7.867 7.867 7.931 -0.064 17827
3304 1 7 . 1 1 65 65 TRP N N 58 128.827 128.827 120.569 8.258 17827
3305 1 7 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.429 0.111 17827
3306 1 7 . 1 1 65 65 TRP C C 58 178.390 178.390 177.646 0.744 17827
3307 1 7 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.880 -5.020 17827
3308 1 7 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.407 0.013 17827
3309 1 7 . 1 1 65 65 TRP H H 58 8.790 8.790 8.007 0.783 17827
3310 1 7 . 1 1 66 66 SER N N 59 117.724 117.724 114.433 3.291 17827
3311 1 7 . 1 1 66 66 SER HA H 59 4.143 4.143 4.312 -0.170 17827
3312 1 7 . 1 1 66 66 SER C C 59 174.471 174.471 174.789 -0.318 17827
3313 1 7 . 1 1 66 66 SER CA C 59 62.350 62.350 60.071 2.279 17827
3314 1 7 . 1 1 66 66 SER CB C 59 63.110 63.110 62.949 0.161 17827
3315 1 7 . 1 1 66 66 SER H H 59 8.637 8.637 8.222 0.415 17827
3316 1 7 . 1 1 67 67 ASP N N 60 121.042 121.042 120.227 0.815 17827
3317 1 7 . 1 1 67 67 ASP C C 60 176.206 176.206 176.118 0.088 17827
3318 1 7 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.251 1.309 17827
3319 1 7 . 1 1 67 67 ASP H H 60 8.895 8.895 8.094 0.801 17827
3320 1 7 . 1 1 68 68 HIS N N 61 121.519 121.519 118.195 3.324 17827
3321 1 7 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.341 0.149 17827
3322 1 7 . 1 1 68 68 HIS C C 61 174.546 174.546 173.939 0.607 17827
3323 1 7 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.887 3.053 17827
3324 1 7 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.454 8.956 17827
3325 1 7 . 1 1 68 68 HIS H H 61 7.958 7.958 7.214 0.744 17827
3326 1 7 . 1 1 69 69 ALA N N 62 122.256 122.256 118.438 3.818 17827
3327 1 7 . 1 1 69 69 ALA C C 62 175.294 175.294 174.574 0.720 17827
3328 1 7 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.193 0.277 17827
3329 1 7 . 1 1 69 69 ALA H H 62 8.575 8.575 8.487 0.088 17827
3330 1 7 . 1 1 70 70 LEU N N 63 118.904 118.904 119.793 -0.889 17827
3331 1 7 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.873 0.781 17827
3332 1 7 . 1 1 70 70 LEU C C 63 174.445 174.445 176.321 -1.876 17827
3333 1 7 . 1 1 70 70 LEU CA C 63 53.930 53.930 52.999 0.931 17827
3334 1 7 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.365 1.935 17827
3335 1 7 . 1 1 70 70 LEU H H 63 9.150 9.150 8.722 0.428 17827
3336 1 7 . 1 1 71 71 TRP N N 64 125.367 125.367 127.198 -1.831 17827
3337 1 7 . 1 1 71 71 TRP C C 64 174.010 174.010 175.541 -1.531 17827
3338 1 7 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.751 1.459 17827
3339 1 7 . 1 1 71 71 TRP H H 64 9.590 9.590 8.476 1.114 17827
3340 1 7 . 1 1 72 72 TRP N N 65 129.982 129.982 129.410 0.572 17827
3341 1 7 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.835 0.145 17827
3342 1 7 . 1 1 72 72 TRP C C 65 174.335 174.335 176.165 -1.830 17827
3343 1 7 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.262 -2.822 17827
3344 1 7 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.145 0.345 17827
3345 1 7 . 1 1 72 72 TRP H H 65 8.277 8.277 8.834 -0.557 17827
3346 1 7 . 1 1 73 73 GLU N N 66 129.112 129.112 127.158 1.954 17827
3347 1 7 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.825 -0.525 17827
3348 1 7 . 1 1 73 73 GLU C C 66 178.595 178.595 176.861 1.734 17827
3349 1 7 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.007 0.913 17827
3350 1 7 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.882 0.178 17827
3351 1 7 . 1 1 73 73 GLU H H 66 8.969 8.969 8.962 0.007 17827
3352 1 7 . 1 1 74 74 LYS N N 67 117.492 117.492 119.222 -1.730 17827
3353 1 7 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.825 -0.123 17827
3354 1 7 . 1 1 74 74 LYS C C 67 176.361 176.361 177.228 -0.867 17827
3355 1 7 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.456 0.204 17827
3356 1 7 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.558 0.462 17827
3357 1 7 . 1 1 74 74 LYS H H 67 7.860 7.860 8.056 -0.196 17827
3358 1 7 . 1 1 75 75 LYS N N 68 121.233 121.233 114.474 6.759 17827
3359 1 7 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.142 -0.207 17827
3360 1 7 . 1 1 75 75 LYS C C 68 174.183 174.183 175.329 -1.146 17827
3361 1 7 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.825 -1.425 17827
3362 1 7 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.123 -0.923 17827
3363 1 7 . 1 1 75 75 LYS H H 68 7.500 7.500 7.042 0.458 17827
3364 1 7 . 1 1 76 76 ARG N N 69 121.125 121.125 116.882 4.243 17827
3365 1 7 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.075 -0.185 17827
3366 1 7 . 1 1 76 76 ARG C C 69 173.984 173.984 174.330 -0.346 17827
3367 1 7 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.523 -0.207 17827
3368 1 7 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.473 0.617 17827
3369 1 7 . 1 1 76 76 ARG H H 69 7.500 7.500 8.046 -0.546 17827
3370 1 7 . 1 1 77 77 THR N N 70 110.478 110.478 111.070 -0.592 17827
3371 1 7 . 1 1 77 77 THR HA H 70 4.650 4.650 3.946 0.704 17827
3372 1 7 . 1 1 77 77 THR C C 70 171.846 171.846 172.867 -1.021 17827
3373 1 7 . 1 1 77 77 THR CA C 70 61.630 61.630 59.369 2.261 17827
3374 1 7 . 1 1 77 77 THR CB C 70 72.210 72.210 70.139 2.071 17827
3375 1 7 . 1 1 77 77 THR H H 70 6.280 6.280 7.174 -0.894 17827
3376 1 7 . 1 1 78 78 TRP N N 71 127.244 127.244 119.948 7.296 17827
3377 1 7 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.729 -0.979 17827
3378 1 7 . 1 1 78 78 TRP C C 71 177.303 177.303 175.779 1.524 17827
3379 1 7 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.628 1.612 17827
3380 1 7 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.770 -1.270 17827
3381 1 7 . 1 1 78 78 TRP H H 71 8.795 8.795 7.701 1.094 17827
3382 1 7 . 1 1 79 79 LEU N N 72 125.202 125.202 122.750 2.452 17827
3383 1 7 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.854 -0.354 17827
3384 1 7 . 1 1 79 79 LEU C C 72 175.667 175.667 176.595 -0.928 17827
3385 1 7 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.486 -1.976 17827
3386 1 7 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.569 -3.329 17827
3387 1 7 . 1 1 79 79 LEU H H 72 9.175 9.175 8.290 0.885 17827
3388 1 7 . 1 1 80 80 LEU N N 73 119.170 119.170 121.197 -2.027 17827
3389 1 7 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.768 -0.388 17827
3390 1 7 . 1 1 80 80 LEU C C 73 178.139 178.139 176.594 1.545 17827
3391 1 7 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.975 -0.275 17827
3392 1 7 . 1 1 80 80 LEU CB C 73 42.170 42.170 43.119 -0.949 17827
3393 1 7 . 1 1 80 80 LEU H H 73 7.280 7.280 8.527 -1.247 17827
3394 1 7 . 1 1 81 81 LYS N N 74 119.766 119.766 119.380 0.386 17827
3395 1 7 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.388 0.047 17827
3396 1 7 . 1 1 81 81 LYS C C 74 176.601 176.601 177.058 -0.457 17827
3397 1 7 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.421 -1.761 17827
3398 1 7 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.641 -5.101 17827
3399 1 7 . 1 1 81 81 LYS H H 74 7.865 7.865 7.741 0.124 17827
3400 1 7 . 1 1 82 82 THR N N 75 115.636 115.636 114.866 0.770 17827
3401 1 7 . 1 1 82 82 THR HA H 75 3.800 3.800 4.394 -0.594 17827
3402 1 7 . 1 1 82 82 THR C C 75 174.806 174.806 175.366 -0.560 17827
3403 1 7 . 1 1 82 82 THR CA C 75 64.650 64.650 63.675 0.975 17827
3404 1 7 . 1 1 82 82 THR CB C 75 68.260 68.260 69.025 -0.765 17827
3405 1 7 . 1 1 82 82 THR H H 75 7.910 7.910 8.687 -0.777 17827
3406 1 7 . 1 1 83 83 HIS N N 76 116.767 116.767 117.556 -0.789 17827
3407 1 7 . 1 1 83 83 HIS C C 76 176.370 176.370 174.633 1.737 17827
3408 1 7 . 1 1 83 83 HIS CB C 76 30.210 30.210 30.005 0.205 17827
3409 1 7 . 1 1 83 83 HIS H H 76 8.965 8.965 8.280 0.685 17827
3410 1 7 . 1 1 84 84 TRP N N 77 123.905 123.905 119.372 4.533 17827
3411 1 7 . 1 1 84 84 TRP C C 77 175.584 175.584 175.355 0.229 17827
3412 1 7 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.444 1.946 17827
3413 1 7 . 1 1 84 84 TRP H H 77 7.635 7.635 7.545 0.090 17827
3414 1 7 . 1 1 85 85 THR N N 78 108.440 108.440 115.376 -6.936 17827
3415 1 7 . 1 1 85 85 THR HA H 78 4.900 4.900 4.217 0.683 17827
3416 1 7 . 1 1 85 85 THR C C 78 175.691 175.691 176.316 -0.625 17827
3417 1 7 . 1 1 85 85 THR CA C 78 59.500 59.500 63.722 -4.222 17827
3418 1 7 . 1 1 85 85 THR CB C 78 70.600 70.600 69.373 1.227 17827
3419 1 7 . 1 1 85 85 THR H H 78 7.030 7.030 7.782 -0.752 17827
3420 1 7 . 1 1 86 86 LEU N N 79 119.766 119.766 121.827 -2.061 17827
3421 1 7 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.034 0.006 17827
3422 1 7 . 1 1 86 86 LEU C C 79 179.734 179.734 179.079 0.655 17827
3423 1 7 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.413 -0.663 17827
3424 1 7 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.866 -0.416 17827
3425 1 7 . 1 1 86 86 LEU H H 79 8.045 8.045 8.493 -0.448 17827
3426 1 7 . 1 1 87 87 ASP N N 80 118.407 118.407 119.157 -0.750 17827
3427 1 7 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.368 0.072 17827
3428 1 7 . 1 1 87 87 ASP C C 80 179.152 179.152 178.643 0.509 17827
3429 1 7 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.993 0.327 17827
3430 1 7 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.555 -0.235 17827
3431 1 7 . 1 1 87 87 ASP H H 80 8.935 8.935 8.857 0.078 17827
3432 1 7 . 1 1 88 88 LYS N N 81 123.300 123.300 119.771 3.529 17827
3433 1 7 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.835 -0.135 17827
3434 1 7 . 1 1 88 88 LYS C C 81 178.721 178.721 178.104 0.617 17827
3435 1 7 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.001 0.019 17827
3436 1 7 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.890 -0.250 17827
3437 1 7 . 1 1 88 88 LYS H H 81 8.055 8.055 7.986 0.069 17827
3438 1 7 . 1 1 89 89 TYR N N 82 115.690 115.690 116.990 -1.300 17827
3439 1 7 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.435 0.145 17827
3440 1 7 . 1 1 89 89 TYR C C 82 176.164 176.164 175.942 0.222 17827
3441 1 7 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.487 2.263 17827
3442 1 7 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.079 1.671 17827
3443 1 7 . 1 1 89 89 TYR H H 82 7.730 7.730 7.762 -0.032 17827
3444 1 7 . 1 1 90 90 GLY N N 83 108.212 108.212 107.049 1.163 17827
3445 1 7 . 1 1 90 90 GLY C C 83 174.555 174.555 174.435 0.120 17827
3446 1 7 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.008 0.501 17827
3447 1 7 . 1 1 90 90 GLY H H 83 8.030 8.030 8.042 -0.012 17827
3448 1 7 . 1 1 91 91 ILE N N 84 122.960 122.960 120.468 2.492 17827
3449 1 7 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.152 -0.782 17827
3450 1 7 . 1 1 91 91 ILE C C 84 173.611 173.611 174.974 -1.363 17827
3451 1 7 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.362 0.338 17827
3452 1 7 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.137 -1.527 17827
3453 1 7 . 1 1 91 91 ILE H H 84 7.850 7.850 7.865 -0.015 17827
3454 1 7 . 1 1 92 92 GLN N N 85 125.429 125.429 123.929 1.500 17827
3455 1 7 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.709 0.171 17827
3456 1 7 . 1 1 92 92 GLN C C 85 174.756 174.756 175.948 -1.192 17827
3457 1 7 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.769 -1.049 17827
3458 1 7 . 1 1 92 92 GLN CB C 85 31.150 31.150 31.458 -0.308 17827
3459 1 7 . 1 1 92 92 GLN H H 85 7.700 7.700 8.317 -0.617 17827
3460 1 7 . 1 1 93 93 ALA N N 86 118.217 118.217 121.310 -3.093 17827
3461 1 7 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.292 -0.492 17827
3462 1 7 . 1 1 93 93 ALA C C 86 177.201 177.201 177.405 -0.204 17827
3463 1 7 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.169 0.911 17827
3464 1 7 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.744 -0.334 17827
3465 1 7 . 1 1 93 93 ALA H H 86 6.886 6.886 8.118 -1.232 17827
3466 1 7 . 1 1 94 94 ASP N N 87 113.647 113.647 116.726 -3.079 17827
3467 1 7 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.544 -0.124 17827
3468 1 7 . 1 1 94 94 ASP C C 87 176.218 176.218 175.140 1.078 17827
3469 1 7 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.603 0.457 17827
3470 1 7 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.961 -1.361 17827
3471 1 7 . 1 1 94 94 ASP H H 87 8.223 8.223 8.098 0.125 17827
3472 1 7 . 1 1 95 95 ALA N N 88 124.145 124.145 122.714 1.431 17827
3473 1 7 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.494 -0.188 17827
3474 1 7 . 1 1 95 95 ALA C C 88 176.630 176.630 176.379 0.251 17827
3475 1 7 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.691 1.629 17827
3476 1 7 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.333 0.687 17827
3477 1 7 . 1 1 95 95 ALA H H 88 7.941 7.941 7.122 0.819 17827
3478 1 7 . 1 1 96 96 LYS N N 89 120.897 120.897 126.500 -5.603 17827
3479 1 7 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.713 0.113 17827
3480 1 7 . 1 1 96 96 LYS C C 89 176.161 176.161 176.167 -0.006 17827
3481 1 7 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.162 -0.426 17827
3482 1 7 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.214 0.176 17827
3483 1 7 . 1 1 96 96 LYS H H 89 8.500 8.500 8.550 -0.050 17827
3484 1 7 . 1 1 97 97 LEU N N 90 122.960 122.960 124.095 -1.135 17827
3485 1 7 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.383 0.692 17827
3486 1 7 . 1 1 97 97 LEU C C 90 176.394 176.394 177.212 -0.818 17827
3487 1 7 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.755 -1.695 17827
3488 1 7 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.932 1.918 17827
3489 1 7 . 1 1 97 97 LEU H H 90 8.566 8.566 8.825 -0.259 17827
3490 1 7 . 1 1 98 98 GLN N N 91 119.538 119.538 116.018 3.520 17827
3491 1 7 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.908 0.802 17827
3492 1 7 . 1 1 98 98 GLN C C 91 174.144 174.144 174.585 -0.441 17827
3493 1 7 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.730 -0.370 17827
3494 1 7 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.967 -0.677 17827
3495 1 7 . 1 1 98 98 GLN H H 91 9.060 9.060 8.054 1.006 17827
3496 1 7 . 1 1 99 99 PHE N N 92 125.674 125.674 120.151 5.523 17827
3497 1 7 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.355 0.345 17827
3498 1 7 . 1 1 99 99 PHE C C 92 174.537 174.537 173.937 0.600 17827
3499 1 7 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.519 -2.329 17827
3500 1 7 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.742 -2.662 17827
3501 1 7 . 1 1 99 99 PHE H H 92 9.290 9.290 9.738 -0.448 17827
3502 1 7 . 1 1 100 100 THR N N 93 124.543 124.543 117.801 6.742 17827
3503 1 7 . 1 1 100 100 THR HA H 93 5.100 5.100 4.903 0.197 17827
3504 1 7 . 1 1 100 100 THR C C 93 180.164 180.164 171.827 8.337 17827
3505 1 7 . 1 1 100 100 THR CA C 93 58.830 58.830 59.172 -0.342 17827
3506 1 7 . 1 1 100 100 THR CB C 93 73.610 73.610 71.170 2.440 17827
3507 1 7 . 1 1 100 100 THR H H 93 8.945 8.945 8.541 0.404 17827
3508 1 8 . 1 1 9 9 ALA N N 2 124.336 124.336 123.839 0.497 17827
3509 1 8 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.575 -0.365 17827
3510 1 8 . 1 1 9 9 ALA C C 2 177.598 177.598 175.884 1.714 17827
3511 1 8 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.624 0.816 17827
3512 1 8 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.358 -0.328 17827
3513 1 8 . 1 1 9 9 ALA H H 2 8.018 8.018 8.276 -0.258 17827
3514 1 8 . 1 1 10 10 LEU N N 3 121.125 121.125 123.600 -2.475 17827
3515 1 8 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.309 -0.099 17827
3516 1 8 . 1 1 10 10 LEU C C 3 177.094 177.094 177.748 -0.654 17827
3517 1 8 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.023 -0.702 17827
3518 1 8 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.202 -0.032 17827
3519 1 8 . 1 1 10 10 LEU H H 3 8.057 8.057 8.465 -0.408 17827
3520 1 8 . 1 1 11 11 ASP N N 4 119.766 119.766 117.325 2.441 17827
3521 1 8 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.375 0.100 17827
3522 1 8 . 1 1 11 11 ASP C C 4 176.509 176.509 176.494 0.015 17827
3523 1 8 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.993 -1.443 17827
3524 1 8 . 1 1 11 11 ASP CB C 4 40.950 40.950 39.903 1.047 17827
3525 1 8 . 1 1 11 11 ASP H H 4 8.145 8.145 8.588 -0.443 17827
3526 1 8 . 1 1 12 12 GLY N N 5 108.440 108.440 105.860 2.580 17827
3527 1 8 . 1 1 12 12 GLY C C 5 173.692 173.692 175.855 -2.163 17827
3528 1 8 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.894 0.416 17827
3529 1 8 . 1 1 12 12 GLY H H 5 8.110 8.110 7.738 0.372 17827
3530 1 8 . 1 1 13 13 ILE N N 6 119.766 119.766 121.541 -1.775 17827
3531 1 8 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.551 0.549 17827
3532 1 8 . 1 1 13 13 ILE C C 6 175.525 175.525 176.881 -1.356 17827
3533 1 8 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.357 -3.647 17827
3534 1 8 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.493 0.937 17827
3535 1 8 . 1 1 13 13 ILE H H 6 7.790 7.790 8.038 -0.248 17827
3536 1 8 . 1 1 14 14 ARG N N 7 125.657 125.657 118.872 6.785 17827
3537 1 8 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.113 0.097 17827
3538 1 8 . 1 1 14 14 ARG C C 7 175.810 175.810 176.495 -0.685 17827
3539 1 8 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.959 -2.319 17827
3540 1 8 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.078 0.912 17827
3541 1 8 . 1 1 14 14 ARG H H 7 8.410 8.410 7.879 0.531 17827
3542 1 8 . 1 1 15 15 MET N N 8 123.598 123.598 115.030 8.568 17827
3543 1 8 . 1 1 15 15 MET HA H 8 4.210 4.210 5.024 -0.814 17827
3544 1 8 . 1 1 15 15 MET C C 8 174.950 174.950 174.377 0.573 17827
3545 1 8 . 1 1 15 15 MET CA C 8 55.330 55.330 54.006 1.324 17827
3546 1 8 . 1 1 15 15 MET CB C 8 31.730 31.730 32.800 -1.070 17827
3547 1 8 . 1 1 15 15 MET H H 8 8.495 8.495 8.013 0.482 17827
3548 1 8 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.327 -0.037 17827
3549 1 8 . 1 1 16 16 PRO C C 9 176.228 176.228 176.550 -0.322 17827
3550 1 8 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.657 -1.287 17827
3551 1 8 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.883 0.937 17827
3552 1 8 . 1 1 17 17 ASP N N 10 117.952 117.952 119.385 -1.433 17827
3553 1 8 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.505 -0.085 17827
3554 1 8 . 1 1 17 17 ASP C C 10 176.714 176.714 177.336 -0.622 17827
3555 1 8 . 1 1 17 17 ASP CA C 10 54.130 54.130 56.565 -2.435 17827
3556 1 8 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.679 -0.249 17827
3557 1 8 . 1 1 17 17 ASP H H 10 8.076 8.076 7.970 0.106 17827
3558 1 8 . 1 1 18 18 GLY N N 11 108.663 108.663 103.448 5.215 17827
3559 1 8 . 1 1 18 18 GLY C C 11 173.819 173.819 174.948 -1.129 17827
3560 1 8 . 1 1 18 18 GLY CA C 11 45.300 45.300 44.801 0.499 17827
3561 1 8 . 1 1 18 18 GLY H H 11 8.255 8.255 7.682 0.573 17827
3562 1 8 . 1 1 19 19 CYS N N 12 118.179 118.179 122.459 -4.280 17827
3563 1 8 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.307 0.243 17827
3564 1 8 . 1 1 19 19 CYS C C 12 174.073 174.073 176.299 -2.226 17827
3565 1 8 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.779 -3.359 17827
3566 1 8 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.346 0.054 17827
3567 1 8 . 1 1 19 19 CYS H H 12 7.850 7.850 8.628 -0.778 17827
3568 1 8 . 1 1 20 20 TYR N N 13 120.897 120.897 122.713 -1.816 17827
3569 1 8 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.349 0.201 17827
3570 1 8 . 1 1 20 20 TYR C C 13 176.748 176.748 174.502 2.246 17827
3571 1 8 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.606 0.864 17827
3572 1 8 . 1 1 20 20 TYR CB C 13 39.210 39.210 36.545 2.665 17827
3573 1 8 . 1 1 20 20 TYR H H 13 8.550 8.550 8.348 0.202 17827
3574 1 8 . 1 1 21 21 ALA N N 14 124.750 124.750 123.934 0.816 17827
3575 1 8 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.150 0.040 17827
3576 1 8 . 1 1 21 21 ALA C C 14 177.181 177.181 176.805 0.376 17827
3577 1 8 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.369 0.161 17827
3578 1 8 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.913 -0.283 17827
3579 1 8 . 1 1 21 21 ALA H H 14 8.615 8.615 7.579 1.036 17827
3580 1 8 . 1 1 22 22 ASP N N 15 117.500 117.500 123.682 -6.182 17827
3581 1 8 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.574 -0.094 17827
3582 1 8 . 1 1 22 22 ASP C C 15 176.708 176.708 176.440 0.268 17827
3583 1 8 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.502 -0.002 17827
3584 1 8 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.196 -0.466 17827
3585 1 8 . 1 1 22 22 ASP H H 15 7.960 7.960 8.243 -0.283 17827
3586 1 8 . 1 1 23 23 GLY N N 16 108.891 108.891 109.789 -0.898 17827
3587 1 8 . 1 1 23 23 GLY C C 16 174.373 174.373 174.139 0.234 17827
3588 1 8 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.789 -0.420 17827
3589 1 8 . 1 1 23 23 GLY H H 16 8.344 8.344 8.459 -0.115 17827
3590 1 8 . 1 1 24 24 THR N N 17 110.929 110.929 109.777 1.152 17827
3591 1 8 . 1 1 24 24 THR HA H 17 4.640 4.640 3.738 0.902 17827
3592 1 8 . 1 1 24 24 THR C C 17 173.620 173.620 173.775 -0.155 17827
3593 1 8 . 1 1 24 24 THR CA C 17 60.540 60.540 61.110 -0.570 17827
3594 1 8 . 1 1 24 24 THR CB C 17 72.100 72.100 70.184 1.916 17827
3595 1 8 . 1 1 24 24 THR H H 17 7.850 7.850 7.521 0.329 17827
3596 1 8 . 1 1 25 25 TRP N N 18 117.728 117.728 118.296 -0.568 17827
3597 1 8 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.845 0.100 17827
3598 1 8 . 1 1 25 25 TRP C C 18 174.164 174.164 174.071 0.093 17827
3599 1 8 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.557 -1.937 17827
3600 1 8 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.424 0.226 17827
3601 1 8 . 1 1 25 25 TRP H H 18 8.640 8.640 7.757 0.883 17827
3602 1 8 . 1 1 26 26 GLU N N 19 117.728 117.728 119.205 -1.477 17827
3603 1 8 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.835 0.016 17827
3604 1 8 . 1 1 26 26 GLU C C 19 174.786 174.786 174.527 0.259 17827
3605 1 8 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.959 0.751 17827
3606 1 8 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.437 -0.937 17827
3607 1 8 . 1 1 26 26 GLU H H 19 8.744 8.744 8.518 0.226 17827
3608 1 8 . 1 1 27 27 LEU N N 20 126.668 126.668 119.526 7.142 17827
3609 1 8 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.726 0.154 17827
3610 1 8 . 1 1 27 27 LEU C C 20 175.123 175.123 175.288 -0.165 17827
3611 1 8 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.554 -0.302 17827
3612 1 8 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.787 -1.507 17827
3613 1 8 . 1 1 27 27 LEU H H 20 8.980 8.980 8.840 0.140 17827
3614 1 8 . 1 1 28 28 SER N N 21 121.804 121.804 117.425 4.379 17827
3615 1 8 . 1 1 28 28 SER HA H 21 4.894 4.894 5.076 -0.182 17827
3616 1 8 . 1 1 28 28 SER C C 21 173.483 173.483 172.842 0.641 17827
3617 1 8 . 1 1 28 28 SER CA C 21 57.880 57.880 56.750 1.130 17827
3618 1 8 . 1 1 28 28 SER CB C 21 63.920 63.920 64.580 -0.660 17827
3619 1 8 . 1 1 28 28 SER H H 21 8.785 8.785 8.591 0.194 17827
3620 1 8 . 1 1 29 29 VAL N N 22 125.881 125.881 121.719 4.162 17827
3621 1 8 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.419 -0.049 17827
3622 1 8 . 1 1 29 29 VAL C C 22 173.953 173.953 174.625 -0.672 17827
3623 1 8 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.849 0.591 17827
3624 1 8 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.745 -1.395 17827
3625 1 8 . 1 1 29 29 VAL H H 22 8.865 8.865 8.375 0.490 17827
3626 1 8 . 1 1 30 30 HIS N N 23 126.560 126.560 123.361 3.199 17827
3627 1 8 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.843 0.377 17827
3628 1 8 . 1 1 30 30 HIS C C 23 174.596 174.596 173.983 0.613 17827
3629 1 8 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.637 -0.387 17827
3630 1 8 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.969 -2.419 17827
3631 1 8 . 1 1 30 30 HIS H H 23 8.810 8.810 8.561 0.249 17827
3632 1 8 . 1 1 31 31 VAL N N 24 130.587 130.587 127.642 2.945 17827
3633 1 8 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.581 0.649 17827
3634 1 8 . 1 1 31 31 VAL C C 24 177.426 177.426 177.028 0.398 17827
3635 1 8 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.399 -6.869 17827
3636 1 8 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.553 -0.513 17827
3637 1 8 . 1 1 31 31 VAL H H 24 9.043 9.043 8.715 0.328 17827
3638 1 8 . 1 1 32 32 THR N N 25 122.484 122.484 121.444 1.040 17827
3639 1 8 . 1 1 32 32 THR HA H 25 3.970 3.970 4.309 -0.339 17827
3640 1 8 . 1 1 32 32 THR C C 25 177.437 177.437 176.371 1.066 17827
3641 1 8 . 1 1 32 32 THR CA C 25 66.470 66.470 64.874 1.595 17827
3642 1 8 . 1 1 32 32 THR CB C 25 68.220 68.220 69.041 -0.821 17827
3643 1 8 . 1 1 32 32 THR H H 25 8.245 8.245 8.768 -0.523 17827
3644 1 8 . 1 1 34 34 VAL N N 27 114.090 114.090 116.118 -2.028 17827
3645 1 8 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.157 0.343 17827
3646 1 8 . 1 1 34 34 VAL CA C 27 54.220 54.220 61.840 -7.620 17827
3647 1 8 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.600 -6.540 17827
3648 1 8 . 1 1 34 34 VAL H H 27 6.977 6.977 7.304 -0.327 17827
3649 1 8 . 1 1 35 35 ASN N N 28 116.829 116.829 116.822 0.007 17827
3650 1 8 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.524 -0.225 17827
3651 1 8 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.524 -0.874 17827
3652 1 8 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.964 -0.854 17827
3653 1 8 . 1 1 35 35 ASN H H 28 7.897 7.897 8.077 -0.180 17827
3654 1 8 . 1 1 36 36 ARG N N 29 114.310 114.310 117.538 -3.228 17827
3655 1 8 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.718 -0.018 17827
3656 1 8 . 1 1 36 36 ARG C C 29 173.347 173.347 174.180 -0.833 17827
3657 1 8 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.583 0.317 17827
3658 1 8 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.802 1.898 17827
3659 1 8 . 1 1 36 36 ARG H H 29 6.787 6.787 7.658 -0.871 17827
3660 1 8 . 1 1 37 37 ASP N N 30 124.071 124.071 119.317 4.754 17827
3661 1 8 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.621 0.854 17827
3662 1 8 . 1 1 37 37 ASP C C 30 175.354 175.354 174.255 1.099 17827
3663 1 8 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.248 0.412 17827
3664 1 8 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.940 -0.680 17827
3665 1 8 . 1 1 37 37 ASP H H 30 8.760 8.760 8.436 0.324 17827
3666 1 8 . 1 1 38 38 VAL N N 31 123.300 123.300 118.579 4.721 17827
3667 1 8 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.531 -0.261 17827
3668 1 8 . 1 1 38 38 VAL C C 31 174.203 174.203 174.543 -0.340 17827
3669 1 8 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.990 0.710 17827
3670 1 8 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.331 -1.711 17827
3671 1 8 . 1 1 38 38 VAL H H 31 9.187 9.187 7.848 1.339 17827
3672 1 8 . 1 1 39 39 THR N N 32 119.766 119.766 113.011 6.755 17827
3673 1 8 . 1 1 39 39 THR HA H 32 5.095 5.095 4.936 0.159 17827
3674 1 8 . 1 1 39 39 THR C C 32 173.547 173.547 173.341 0.206 17827
3675 1 8 . 1 1 39 39 THR CA C 32 60.550 60.550 59.816 0.734 17827
3676 1 8 . 1 1 39 39 THR CB C 32 70.170 70.170 71.236 -1.066 17827
3677 1 8 . 1 1 39 39 THR H H 32 8.360 8.360 8.087 0.273 17827
3678 1 8 . 1 1 40 40 LEU N N 33 124.522 124.522 122.352 2.170 17827
3679 1 8 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.710 -0.120 17827
3680 1 8 . 1 1 40 40 LEU C C 33 174.691 174.691 175.761 -1.070 17827
3681 1 8 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.832 -1.252 17827
3682 1 8 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.826 0.584 17827
3683 1 8 . 1 1 40 40 LEU H H 33 8.750 8.750 8.189 0.561 17827
3684 1 8 . 1 1 41 41 ARG N N 34 122.712 122.712 124.105 -1.393 17827
3685 1 8 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.574 0.106 17827
3686 1 8 . 1 1 41 41 ARG C C 34 175.700 175.700 174.550 1.150 17827
3687 1 8 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.414 0.006 17827
3688 1 8 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.513 -0.013 17827
3689 1 8 . 1 1 41 41 ARG H H 34 8.345 8.345 8.741 -0.396 17827
3690 1 8 . 1 1 42 42 VAL N N 35 117.728 117.728 116.338 1.390 17827
3691 1 8 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.574 -0.109 17827
3692 1 8 . 1 1 42 42 VAL C C 35 173.184 173.184 173.610 -0.426 17827
3693 1 8 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.739 -0.069 17827
3694 1 8 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.247 0.803 17827
3695 1 8 . 1 1 42 42 VAL H H 35 8.640 8.640 7.808 0.832 17827
3696 1 8 . 1 1 43 43 THR N N 36 104.359 104.359 108.978 -4.619 17827
3697 1 8 . 1 1 43 43 THR HA H 36 4.660 4.660 2.578 2.082 17827
3698 1 8 . 1 1 43 43 THR C C 36 174.862 174.862 175.163 -0.301 17827
3699 1 8 . 1 1 43 43 THR CA C 36 59.010 59.010 58.578 0.432 17827
3700 1 8 . 1 1 43 43 THR CB C 36 71.570 71.570 71.173 0.397 17827
3701 1 8 . 1 1 43 43 THR H H 36 6.220 6.220 7.898 -1.678 17827
3702 1 8 . 1 1 44 44 GLY N N 37 105.946 105.946 107.264 -1.318 17827
3703 1 8 . 1 1 44 44 GLY C C 37 173.394 173.394 174.539 -1.145 17827
3704 1 8 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.630 0.200 17827
3705 1 8 . 1 1 44 44 GLY H H 37 9.160 9.160 8.936 0.224 17827
3706 1 8 . 1 1 45 45 GLU N N 38 113.875 113.875 117.291 -3.416 17827
3707 1 8 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.231 0.059 17827
3708 1 8 . 1 1 45 45 GLU C C 38 176.167 176.167 176.315 -0.148 17827
3709 1 8 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.960 -0.460 17827
3710 1 8 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.818 1.132 17827
3711 1 8 . 1 1 45 45 GLU H H 38 7.500 7.500 7.272 0.228 17827
3712 1 8 . 1 1 46 46 VAL N N 39 121.577 121.577 122.571 -0.994 17827
3713 1 8 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.949 -0.129 17827
3714 1 8 . 1 1 46 46 VAL C C 39 174.651 174.651 174.930 -0.279 17827
3715 1 8 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.842 2.078 17827
3716 1 8 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.897 -1.306 17827
3717 1 8 . 1 1 46 46 VAL H H 39 7.260 7.260 7.560 -0.300 17827
3718 1 8 . 1 1 47 47 HIS N N 40 123.391 123.391 126.580 -3.189 17827
3719 1 8 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.569 0.643 17827
3720 1 8 . 1 1 47 47 HIS C C 40 177.440 177.440 176.655 0.785 17827
3721 1 8 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.137 -2.477 17827
3722 1 8 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.854 0.056 17827
3723 1 8 . 1 1 47 47 HIS H H 40 8.285 8.285 8.386 -0.101 17827
3724 1 8 . 1 1 48 48 ILE N N 41 124.071 124.071 124.094 -0.023 17827
3725 1 8 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.823 -0.293 17827
3726 1 8 . 1 1 48 48 ILE C C 41 178.941 178.941 178.216 0.725 17827
3727 1 8 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.513 -3.183 17827
3728 1 8 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.831 -3.601 17827
3729 1 8 . 1 1 48 48 ILE H H 41 8.863 8.863 8.778 0.085 17827
3730 1 8 . 1 1 49 49 GLY N N 42 106.853 106.853 105.055 1.798 17827
3731 1 8 . 1 1 49 49 GLY C C 42 175.669 175.669 175.611 0.058 17827
3732 1 8 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.372 -1.052 17827
3733 1 8 . 1 1 49 49 GLY H H 42 9.720 9.720 8.699 1.021 17827
3734 1 8 . 1 1 50 50 GLY N N 43 109.571 109.571 109.144 0.427 17827
3735 1 8 . 1 1 50 50 GLY C C 43 175.847 175.847 175.549 0.298 17827
3736 1 8 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.704 1.296 17827
3737 1 8 . 1 1 50 50 GLY H H 43 6.950 6.950 8.239 -1.289 17827
3738 1 8 . 1 1 51 51 VAL N N 44 123.163 123.163 124.750 -1.587 17827
3739 1 8 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.714 -0.599 17827
3740 1 8 . 1 1 51 51 VAL C C 44 176.804 176.804 177.996 -1.192 17827
3741 1 8 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.873 -0.213 17827
3742 1 8 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.891 -1.161 17827
3743 1 8 . 1 1 51 51 VAL H H 44 7.860 7.860 8.758 -0.898 17827
3744 1 8 . 1 1 52 52 MET N N 45 115.913 115.913 117.451 -1.538 17827
3745 1 8 . 1 1 52 52 MET HA H 45 3.410 3.410 4.381 -0.971 17827
3746 1 8 . 1 1 52 52 MET C C 45 176.881 176.881 178.358 -1.477 17827
3747 1 8 . 1 1 52 52 MET CA C 45 59.830 59.830 59.675 0.155 17827
3748 1 8 . 1 1 52 52 MET CB C 45 32.310 32.310 31.980 0.330 17827
3749 1 8 . 1 1 52 52 MET H H 45 7.940 7.940 7.853 0.087 17827
3750 1 8 . 1 1 53 53 LEU N N 46 118.291 118.291 121.085 -2.794 17827
3751 1 8 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.995 -0.055 17827
3752 1 8 . 1 1 53 53 LEU C C 46 179.178 179.178 179.166 0.012 17827
3753 1 8 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.845 0.655 17827
3754 1 8 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.123 0.807 17827
3755 1 8 . 1 1 53 53 LEU H H 46 7.550 7.550 7.656 -0.106 17827
3756 1 8 . 1 1 54 54 LYS N N 47 118.142 118.142 119.012 -0.870 17827
3757 1 8 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.087 -0.217 17827
3758 1 8 . 1 1 54 54 LYS C C 47 178.616 178.616 179.277 -0.661 17827
3759 1 8 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.373 -1.393 17827
3760 1 8 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.094 0.226 17827
3761 1 8 . 1 1 54 54 LYS H H 47 7.665 7.665 8.524 -0.859 17827
3762 1 8 . 1 1 55 55 LEU N N 48 119.385 119.385 120.384 -0.999 17827
3763 1 8 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.322 -0.752 17827
3764 1 8 . 1 1 55 55 LEU C C 48 177.405 177.405 177.974 -0.569 17827
3765 1 8 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.932 -0.142 17827
3766 1 8 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.953 -0.363 17827
3767 1 8 . 1 1 55 55 LEU H H 48 7.975 7.975 7.689 0.286 17827
3768 1 8 . 1 1 56 56 VAL N N 49 116.141 116.141 120.981 -4.840 17827
3769 1 8 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.682 -0.692 17827
3770 1 8 . 1 1 56 56 VAL C C 49 178.564 178.564 178.378 0.186 17827
3771 1 8 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.689 -0.379 17827
3772 1 8 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.646 -0.346 17827
3773 1 8 . 1 1 56 56 VAL H H 49 7.615 7.615 8.973 -1.358 17827
3774 1 8 . 1 1 57 57 GLU N N 50 118.631 118.631 118.474 0.157 17827
3775 1 8 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.060 -0.095 17827
3776 1 8 . 1 1 57 57 GLU C C 50 178.030 178.030 178.230 -0.200 17827
3777 1 8 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.090 -0.590 17827
3778 1 8 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.524 0.086 17827
3779 1 8 . 1 1 57 57 GLU H H 50 7.575 7.575 8.862 -1.287 17827
3780 1 8 . 1 1 58 58 LYS N N 51 117.053 117.053 118.805 -1.752 17827
3781 1 8 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.036 0.094 17827
3782 1 8 . 1 1 58 58 LYS C C 51 176.956 176.956 178.458 -1.502 17827
3783 1 8 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.614 -1.954 17827
3784 1 8 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.698 -0.038 17827
3785 1 8 . 1 1 58 58 LYS H H 51 7.490 7.490 7.481 0.009 17827
3786 1 8 . 1 1 59 59 LEU N N 52 119.460 119.460 118.905 0.555 17827
3787 1 8 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.112 0.010 17827
3788 1 8 . 1 1 59 59 LEU C C 52 176.645 176.645 177.105 -0.460 17827
3789 1 8 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.753 -0.093 17827
3790 1 8 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.033 0.667 17827
3791 1 8 . 1 1 59 59 LEU H H 52 7.470 7.470 8.194 -0.724 17827
3792 1 8 . 1 1 62 62 LYS C C 55 175.670 175.670 176.146 -0.476 17827
3793 1 8 . 1 1 63 63 LYS N N 56 122.430 122.430 121.549 0.881 17827
3794 1 8 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.364 -0.334 17827
3795 1 8 . 1 1 63 63 LYS C C 56 172.850 172.850 176.093 -3.243 17827
3796 1 8 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.336 -1.806 17827
3797 1 8 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.585 0.855 17827
3798 1 8 . 1 1 63 63 LYS H H 56 7.245 7.245 8.438 -1.193 17827
3799 1 8 . 1 1 64 64 ASP N N 57 118.867 118.867 122.244 -3.377 17827
3800 1 8 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.960 -0.430 17827
3801 1 8 . 1 1 64 64 ASP C C 57 176.710 176.710 176.993 -0.283 17827
3802 1 8 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.754 -1.254 17827
3803 1 8 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.653 -2.333 17827
3804 1 8 . 1 1 64 64 ASP H H 57 7.867 7.867 8.626 -0.759 17827
3805 1 8 . 1 1 65 65 TRP N N 58 128.827 128.827 121.795 7.032 17827
3806 1 8 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.638 -0.098 17827
3807 1 8 . 1 1 65 65 TRP C C 58 178.390 178.390 177.136 1.254 17827
3808 1 8 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.892 -6.032 17827
3809 1 8 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.419 1.001 17827
3810 1 8 . 1 1 65 65 TRP H H 58 8.790 8.790 7.995 0.795 17827
3811 1 8 . 1 1 66 66 SER N N 59 117.724 117.724 114.888 2.836 17827
3812 1 8 . 1 1 66 66 SER HA H 59 4.143 4.143 3.989 0.154 17827
3813 1 8 . 1 1 66 66 SER C C 59 174.471 174.471 174.948 -0.477 17827
3814 1 8 . 1 1 66 66 SER CA C 59 62.350 62.350 60.252 2.098 17827
3815 1 8 . 1 1 66 66 SER CB C 59 63.110 63.110 62.235 0.875 17827
3816 1 8 . 1 1 66 66 SER H H 59 8.637 8.637 8.150 0.487 17827
3817 1 8 . 1 1 67 67 ASP N N 60 121.042 121.042 120.503 0.539 17827
3818 1 8 . 1 1 67 67 ASP C C 60 176.206 176.206 176.708 -0.502 17827
3819 1 8 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.086 1.474 17827
3820 1 8 . 1 1 67 67 ASP H H 60 8.895 8.895 7.991 0.904 17827
3821 1 8 . 1 1 68 68 HIS N N 61 121.519 121.519 116.028 5.491 17827
3822 1 8 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.440 0.050 17827
3823 1 8 . 1 1 68 68 HIS C C 61 174.546 174.546 174.049 0.497 17827
3824 1 8 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.691 2.249 17827
3825 1 8 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.263 8.147 17827
3826 1 8 . 1 1 68 68 HIS H H 61 7.958 7.958 7.661 0.297 17827
3827 1 8 . 1 1 69 69 ALA N N 62 122.256 122.256 119.101 3.155 17827
3828 1 8 . 1 1 69 69 ALA C C 62 175.294 175.294 174.886 0.408 17827
3829 1 8 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.766 -0.296 17827
3830 1 8 . 1 1 69 69 ALA H H 62 8.575 8.575 8.999 -0.424 17827
3831 1 8 . 1 1 70 70 LEU N N 63 118.904 118.904 119.815 -0.911 17827
3832 1 8 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.965 0.689 17827
3833 1 8 . 1 1 70 70 LEU C C 63 174.445 174.445 176.436 -1.991 17827
3834 1 8 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.141 0.789 17827
3835 1 8 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.031 2.269 17827
3836 1 8 . 1 1 70 70 LEU H H 63 9.150 9.150 8.780 0.370 17827
3837 1 8 . 1 1 71 71 TRP N N 64 125.367 125.367 127.606 -2.239 17827
3838 1 8 . 1 1 71 71 TRP C C 64 174.010 174.010 175.447 -1.437 17827
3839 1 8 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.674 1.536 17827
3840 1 8 . 1 1 71 71 TRP H H 64 9.590 9.590 8.491 1.099 17827
3841 1 8 . 1 1 72 72 TRP N N 65 129.982 129.982 129.670 0.312 17827
3842 1 8 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.713 0.267 17827
3843 1 8 . 1 1 72 72 TRP C C 65 174.335 174.335 175.774 -1.439 17827
3844 1 8 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.956 -2.516 17827
3845 1 8 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.766 0.724 17827
3846 1 8 . 1 1 72 72 TRP H H 65 8.277 8.277 8.308 -0.031 17827
3847 1 8 . 1 1 73 73 GLU N N 66 129.112 129.112 126.501 2.611 17827
3848 1 8 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.562 -0.262 17827
3849 1 8 . 1 1 73 73 GLU C C 66 178.595 178.595 177.568 1.027 17827
3850 1 8 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.244 0.676 17827
3851 1 8 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.992 0.068 17827
3852 1 8 . 1 1 73 73 GLU H H 66 8.969 8.969 8.856 0.113 17827
3853 1 8 . 1 1 74 74 LYS N N 67 117.492 117.492 120.325 -2.833 17827
3854 1 8 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.762 -0.060 17827
3855 1 8 . 1 1 74 74 LYS C C 67 176.361 176.361 176.796 -0.435 17827
3856 1 8 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.411 0.249 17827
3857 1 8 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.435 0.585 17827
3858 1 8 . 1 1 74 74 LYS H H 67 7.860 7.860 7.941 -0.081 17827
3859 1 8 . 1 1 75 75 LYS N N 68 121.233 121.233 116.051 5.182 17827
3860 1 8 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.043 -0.108 17827
3861 1 8 . 1 1 75 75 LYS C C 68 174.183 174.183 175.047 -0.864 17827
3862 1 8 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.660 -1.260 17827
3863 1 8 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.381 -0.181 17827
3864 1 8 . 1 1 75 75 LYS H H 68 7.500 7.500 6.790 0.710 17827
3865 1 8 . 1 1 76 76 ARG N N 69 121.125 121.125 114.732 6.393 17827
3866 1 8 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.583 0.307 17827
3867 1 8 . 1 1 76 76 ARG C C 69 173.984 173.984 174.303 -0.319 17827
3868 1 8 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.655 0.661 17827
3869 1 8 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.007 1.083 17827
3870 1 8 . 1 1 76 76 ARG H H 69 7.500 7.500 7.536 -0.036 17827
3871 1 8 . 1 1 77 77 THR N N 70 110.478 110.478 111.969 -1.491 17827
3872 1 8 . 1 1 77 77 THR HA H 70 4.650 4.650 3.068 1.582 17827
3873 1 8 . 1 1 77 77 THR C C 70 171.846 171.846 172.070 -0.224 17827
3874 1 8 . 1 1 77 77 THR CA C 70 61.630 61.630 58.839 2.792 17827
3875 1 8 . 1 1 77 77 THR CB C 70 72.210 72.210 70.293 1.917 17827
3876 1 8 . 1 1 77 77 THR H H 70 6.280 6.280 6.713 -0.433 17827
3877 1 8 . 1 1 78 78 TRP N N 71 127.244 127.244 119.321 7.923 17827
3878 1 8 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.571 -0.821 17827
3879 1 8 . 1 1 78 78 TRP C C 71 177.303 177.303 175.814 1.489 17827
3880 1 8 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.538 0.703 17827
3881 1 8 . 1 1 78 78 TRP CB C 71 30.500 30.500 33.062 -2.562 17827
3882 1 8 . 1 1 78 78 TRP H H 71 8.795 8.795 8.246 0.549 17827
3883 1 8 . 1 1 79 79 LEU N N 72 125.202 125.202 122.444 2.758 17827
3884 1 8 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.863 -0.363 17827
3885 1 8 . 1 1 79 79 LEU C C 72 175.667 175.667 176.554 -0.887 17827
3886 1 8 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.288 -1.778 17827
3887 1 8 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.262 -3.022 17827
3888 1 8 . 1 1 79 79 LEU H H 72 9.175 9.175 8.419 0.756 17827
3889 1 8 . 1 1 80 80 LEU N N 73 119.170 119.170 123.836 -4.666 17827
3890 1 8 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.484 -0.104 17827
3891 1 8 . 1 1 80 80 LEU C C 73 178.139 178.139 177.077 1.062 17827
3892 1 8 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.471 -0.771 17827
3893 1 8 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.693 -0.523 17827
3894 1 8 . 1 1 80 80 LEU H H 73 7.280 7.280 8.496 -1.216 17827
3895 1 8 . 1 1 81 81 LYS N N 74 119.766 119.766 118.977 0.789 17827
3896 1 8 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.385 0.050 17827
3897 1 8 . 1 1 81 81 LYS C C 74 176.601 176.601 176.721 -0.120 17827
3898 1 8 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.703 -2.042 17827
3899 1 8 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.123 -4.583 17827
3900 1 8 . 1 1 81 81 LYS H H 74 7.865 7.865 7.841 0.024 17827
3901 1 8 . 1 1 82 82 THR N N 75 115.636 115.636 114.149 1.487 17827
3902 1 8 . 1 1 82 82 THR HA H 75 3.800 3.800 4.376 -0.576 17827
3903 1 8 . 1 1 82 82 THR C C 75 174.806 174.806 175.227 -0.421 17827
3904 1 8 . 1 1 82 82 THR CA C 75 64.650 64.650 63.938 0.712 17827
3905 1 8 . 1 1 82 82 THR CB C 75 68.260 68.260 69.064 -0.804 17827
3906 1 8 . 1 1 82 82 THR H H 75 7.910 7.910 8.638 -0.728 17827
3907 1 8 . 1 1 83 83 HIS N N 76 116.767 116.767 118.537 -1.770 17827
3908 1 8 . 1 1 83 83 HIS C C 76 176.370 176.370 174.204 2.166 17827
3909 1 8 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.640 0.570 17827
3910 1 8 . 1 1 83 83 HIS H H 76 8.965 8.965 8.375 0.590 17827
3911 1 8 . 1 1 84 84 TRP N N 77 123.905 123.905 118.772 5.133 17827
3912 1 8 . 1 1 84 84 TRP C C 77 175.584 175.584 175.278 0.306 17827
3913 1 8 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.683 1.707 17827
3914 1 8 . 1 1 84 84 TRP H H 77 7.635 7.635 7.536 0.099 17827
3915 1 8 . 1 1 85 85 THR N N 78 108.440 108.440 114.597 -6.157 17827
3916 1 8 . 1 1 85 85 THR HA H 78 4.900 4.900 4.221 0.679 17827
3917 1 8 . 1 1 85 85 THR C C 78 175.691 175.691 176.240 -0.549 17827
3918 1 8 . 1 1 85 85 THR CA C 78 59.500 59.500 63.907 -4.407 17827
3919 1 8 . 1 1 85 85 THR CB C 78 70.600 70.600 69.807 0.793 17827
3920 1 8 . 1 1 85 85 THR H H 78 7.030 7.030 7.895 -0.865 17827
3921 1 8 . 1 1 86 86 LEU N N 79 119.766 119.766 118.806 0.960 17827
3922 1 8 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.249 -0.209 17827
3923 1 8 . 1 1 86 86 LEU C C 79 179.734 179.734 178.541 1.193 17827
3924 1 8 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.856 -0.106 17827
3925 1 8 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.346 -0.896 17827
3926 1 8 . 1 1 86 86 LEU H H 79 8.045 8.045 8.569 -0.524 17827
3927 1 8 . 1 1 87 87 ASP N N 80 118.407 118.407 119.227 -0.820 17827
3928 1 8 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.385 0.055 17827
3929 1 8 . 1 1 87 87 ASP C C 80 179.152 179.152 177.968 1.184 17827
3930 1 8 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.799 0.521 17827
3931 1 8 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.524 -0.204 17827
3932 1 8 . 1 1 87 87 ASP H H 80 8.935 8.935 8.806 0.129 17827
3933 1 8 . 1 1 88 88 LYS N N 81 123.300 123.300 118.728 4.572 17827
3934 1 8 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.900 -0.200 17827
3935 1 8 . 1 1 88 88 LYS C C 81 178.721 178.721 178.365 0.356 17827
3936 1 8 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.112 -0.092 17827
3937 1 8 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.982 -0.342 17827
3938 1 8 . 1 1 88 88 LYS H H 81 8.055 8.055 7.938 0.117 17827
3939 1 8 . 1 1 89 89 TYR N N 82 115.690 115.690 116.975 -1.285 17827
3940 1 8 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.621 -0.041 17827
3941 1 8 . 1 1 89 89 TYR C C 82 176.164 176.164 176.009 0.155 17827
3942 1 8 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.413 1.337 17827
3943 1 8 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.191 1.560 17827
3944 1 8 . 1 1 89 89 TYR H H 82 7.730 7.730 7.838 -0.108 17827
3945 1 8 . 1 1 90 90 GLY N N 83 108.212 108.212 106.309 1.903 17827
3946 1 8 . 1 1 90 90 GLY C C 83 174.555 174.555 174.421 0.134 17827
3947 1 8 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.817 0.693 17827
3948 1 8 . 1 1 90 90 GLY H H 83 8.030 8.030 7.483 0.547 17827
3949 1 8 . 1 1 91 91 ILE N N 84 122.960 122.960 120.443 2.517 17827
3950 1 8 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.146 -0.776 17827
3951 1 8 . 1 1 91 91 ILE C C 84 173.611 173.611 175.261 -1.650 17827
3952 1 8 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.453 0.247 17827
3953 1 8 . 1 1 91 91 ILE CB C 84 37.610 37.610 38.986 -1.376 17827
3954 1 8 . 1 1 91 91 ILE H H 84 7.850 7.850 7.950 -0.100 17827
3955 1 8 . 1 1 92 92 GLN N N 85 125.429 125.429 123.307 2.122 17827
3956 1 8 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.056 -0.176 17827
3957 1 8 . 1 1 92 92 GLN C C 85 174.756 174.756 175.968 -1.212 17827
3958 1 8 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.867 -1.147 17827
3959 1 8 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.887 0.263 17827
3960 1 8 . 1 1 92 92 GLN H H 85 7.700 7.700 8.113 -0.413 17827
3961 1 8 . 1 1 93 93 ALA N N 86 118.217 118.217 120.922 -2.705 17827
3962 1 8 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.200 -0.400 17827
3963 1 8 . 1 1 93 93 ALA C C 86 177.201 177.201 177.337 -0.136 17827
3964 1 8 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.216 0.864 17827
3965 1 8 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.696 -0.286 17827
3966 1 8 . 1 1 93 93 ALA H H 86 6.886 6.886 8.098 -1.212 17827
3967 1 8 . 1 1 94 94 ASP N N 87 113.647 113.647 117.650 -4.003 17827
3968 1 8 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.535 -0.116 17827
3969 1 8 . 1 1 94 94 ASP C C 87 176.218 176.218 175.167 1.051 17827
3970 1 8 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.828 0.232 17827
3971 1 8 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.826 -1.226 17827
3972 1 8 . 1 1 94 94 ASP H H 87 8.223 8.223 8.062 0.161 17827
3973 1 8 . 1 1 95 95 ALA N N 88 124.145 124.145 122.767 1.378 17827
3974 1 8 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.575 -0.269 17827
3975 1 8 . 1 1 95 95 ALA C C 88 176.630 176.630 176.458 0.172 17827
3976 1 8 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.623 1.697 17827
3977 1 8 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.812 0.208 17827
3978 1 8 . 1 1 95 95 ALA H H 88 7.941 7.941 7.104 0.837 17827
3979 1 8 . 1 1 96 96 LYS N N 89 120.897 120.897 126.139 -5.242 17827
3980 1 8 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.834 -0.008 17827
3981 1 8 . 1 1 96 96 LYS C C 89 176.161 176.161 176.205 -0.044 17827
3982 1 8 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.097 -0.361 17827
3983 1 8 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.414 -0.024 17827
3984 1 8 . 1 1 96 96 LYS H H 89 8.500 8.500 8.626 -0.126 17827
3985 1 8 . 1 1 97 97 LEU N N 90 122.960 122.960 125.107 -2.147 17827
3986 1 8 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.280 0.795 17827
3987 1 8 . 1 1 97 97 LEU C C 90 176.394 176.394 176.758 -0.364 17827
3988 1 8 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.868 -1.808 17827
3989 1 8 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.057 1.793 17827
3990 1 8 . 1 1 97 97 LEU H H 90 8.566 8.566 8.734 -0.168 17827
3991 1 8 . 1 1 98 98 GLN N N 91 119.538 119.538 115.345 4.193 17827
3992 1 8 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.914 0.796 17827
3993 1 8 . 1 1 98 98 GLN C C 91 174.144 174.144 174.417 -0.273 17827
3994 1 8 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.421 -0.061 17827
3995 1 8 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.773 -0.483 17827
3996 1 8 . 1 1 98 98 GLN H H 91 9.060 9.060 7.905 1.155 17827
3997 1 8 . 1 1 99 99 PHE N N 92 125.674 125.674 120.595 5.079 17827
3998 1 8 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.427 0.273 17827
3999 1 8 . 1 1 99 99 PHE C C 92 174.537 174.537 173.928 0.609 17827
4000 1 8 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.428 -2.238 17827
4001 1 8 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.596 -2.517 17827
4002 1 8 . 1 1 99 99 PHE H H 92 9.290 9.290 9.735 -0.445 17827
4003 1 8 . 1 1 100 100 THR N N 93 124.543 124.543 118.441 6.102 17827
4004 1 8 . 1 1 100 100 THR HA H 93 5.100 5.100 5.071 0.029 17827
4005 1 8 . 1 1 100 100 THR C C 93 180.164 180.164 171.947 8.217 17827
4006 1 8 . 1 1 100 100 THR CA C 93 58.830 58.830 58.882 -0.052 17827
4007 1 8 . 1 1 100 100 THR CB C 93 73.610 73.610 70.865 2.745 17827
4008 1 8 . 1 1 100 100 THR H H 93 8.945 8.945 8.765 0.180 17827
4009 1 9 . 1 1 9 9 ALA N N 2 124.336 124.336 123.299 1.037 17827
4010 1 9 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.461 -0.251 17827
4011 1 9 . 1 1 9 9 ALA C C 2 177.598 177.598 175.860 1.738 17827
4012 1 9 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.626 0.814 17827
4013 1 9 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.978 0.052 17827
4014 1 9 . 1 1 9 9 ALA H H 2 8.018 8.018 8.257 -0.239 17827
4015 1 9 . 1 1 10 10 LEU N N 3 121.125 121.125 122.365 -1.240 17827
4016 1 9 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.084 0.126 17827
4017 1 9 . 1 1 10 10 LEU C C 3 177.094 177.094 177.785 -0.691 17827
4018 1 9 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.747 -0.427 17827
4019 1 9 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.517 -0.346 17827
4020 1 9 . 1 1 10 10 LEU H H 3 8.057 8.057 8.327 -0.270 17827
4021 1 9 . 1 1 11 11 ASP N N 4 119.766 119.766 116.405 3.361 17827
4022 1 9 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.353 0.122 17827
4023 1 9 . 1 1 11 11 ASP C C 4 176.509 176.509 175.819 0.690 17827
4024 1 9 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.466 -0.916 17827
4025 1 9 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.561 0.389 17827
4026 1 9 . 1 1 11 11 ASP H H 4 8.145 8.145 8.560 -0.415 17827
4027 1 9 . 1 1 12 12 GLY N N 5 108.440 108.440 103.499 4.941 17827
4028 1 9 . 1 1 12 12 GLY C C 5 173.692 173.692 174.899 -1.207 17827
4029 1 9 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.217 1.093 17827
4030 1 9 . 1 1 12 12 GLY H H 5 8.110 8.110 7.876 0.234 17827
4031 1 9 . 1 1 13 13 ILE N N 6 119.766 119.766 120.071 -0.305 17827
4032 1 9 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.680 0.420 17827
4033 1 9 . 1 1 13 13 ILE C C 6 175.525 175.525 176.584 -1.059 17827
4034 1 9 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.738 -3.028 17827
4035 1 9 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.200 0.230 17827
4036 1 9 . 1 1 13 13 ILE H H 6 7.790 7.790 7.894 -0.104 17827
4037 1 9 . 1 1 14 14 ARG N N 7 125.657 125.657 118.845 6.812 17827
4038 1 9 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.360 -0.150 17827
4039 1 9 . 1 1 14 14 ARG C C 7 175.810 175.810 175.105 0.705 17827
4040 1 9 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.600 -0.960 17827
4041 1 9 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.442 -0.452 17827
4042 1 9 . 1 1 14 14 ARG H H 7 8.410 8.410 8.088 0.322 17827
4043 1 9 . 1 1 15 15 MET N N 8 123.598 123.598 115.785 7.813 17827
4044 1 9 . 1 1 15 15 MET HA H 8 4.210 4.210 5.157 -0.947 17827
4045 1 9 . 1 1 15 15 MET C C 8 174.950 174.950 174.097 0.853 17827
4046 1 9 . 1 1 15 15 MET CA C 8 55.330 55.330 53.468 1.862 17827
4047 1 9 . 1 1 15 15 MET CB C 8 31.730 31.730 33.767 -2.037 17827
4048 1 9 . 1 1 15 15 MET H H 8 8.495 8.495 7.732 0.763 17827
4049 1 9 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.327 -0.037 17827
4050 1 9 . 1 1 16 16 PRO C C 9 176.228 176.228 175.936 0.292 17827
4051 1 9 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.278 -0.908 17827
4052 1 9 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.776 1.044 17827
4053 1 9 . 1 1 17 17 ASP N N 10 117.952 117.952 117.715 0.237 17827
4054 1 9 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.579 -0.159 17827
4055 1 9 . 1 1 17 17 ASP C C 10 176.714 176.714 176.782 -0.068 17827
4056 1 9 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.441 -0.311 17827
4057 1 9 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.310 0.120 17827
4058 1 9 . 1 1 17 17 ASP H H 10 8.076 8.076 8.355 -0.279 17827
4059 1 9 . 1 1 18 18 GLY N N 11 108.663 108.663 104.973 3.690 17827
4060 1 9 . 1 1 18 18 GLY C C 11 173.819 173.819 174.978 -1.159 17827
4061 1 9 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.297 0.003 17827
4062 1 9 . 1 1 18 18 GLY H H 11 8.255 8.255 7.657 0.598 17827
4063 1 9 . 1 1 19 19 CYS N N 12 118.179 118.179 121.194 -3.015 17827
4064 1 9 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.403 0.147 17827
4065 1 9 . 1 1 19 19 CYS C C 12 174.073 174.073 175.296 -1.223 17827
4066 1 9 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.532 -2.112 17827
4067 1 9 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.281 1.119 17827
4068 1 9 . 1 1 19 19 CYS H H 12 7.850 7.850 8.299 -0.449 17827
4069 1 9 . 1 1 20 20 TYR N N 13 120.897 120.897 119.010 1.887 17827
4070 1 9 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.444 0.106 17827
4071 1 9 . 1 1 20 20 TYR C C 13 176.748 176.748 176.287 0.461 17827
4072 1 9 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.286 0.184 17827
4073 1 9 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.577 0.633 17827
4074 1 9 . 1 1 20 20 TYR H H 13 8.550 8.550 7.903 0.647 17827
4075 1 9 . 1 1 21 21 ALA N N 14 124.750 124.750 122.773 1.977 17827
4076 1 9 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.389 -0.199 17827
4077 1 9 . 1 1 21 21 ALA C C 14 177.181 177.181 178.060 -0.879 17827
4078 1 9 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.864 0.666 17827
4079 1 9 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.295 -0.665 17827
4080 1 9 . 1 1 21 21 ALA H H 14 8.615 8.615 8.549 0.066 17827
4081 1 9 . 1 1 22 22 ASP N N 15 117.500 117.500 120.120 -2.620 17827
4082 1 9 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.611 -0.131 17827
4083 1 9 . 1 1 22 22 ASP C C 15 176.708 176.708 177.004 -0.296 17827
4084 1 9 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.734 -1.234 17827
4085 1 9 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.298 -0.568 17827
4086 1 9 . 1 1 22 22 ASP H H 15 7.960 7.960 8.656 -0.696 17827
4087 1 9 . 1 1 23 23 GLY N N 16 108.891 108.891 108.878 0.013 17827
4088 1 9 . 1 1 23 23 GLY C C 16 174.373 174.373 174.404 -0.031 17827
4089 1 9 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.597 -0.227 17827
4090 1 9 . 1 1 23 23 GLY H H 16 8.344 8.344 8.182 0.162 17827
4091 1 9 . 1 1 24 24 THR N N 17 110.929 110.929 111.107 -0.178 17827
4092 1 9 . 1 1 24 24 THR HA H 17 4.640 4.640 4.386 0.254 17827
4093 1 9 . 1 1 24 24 THR C C 17 173.620 173.620 174.011 -0.391 17827
4094 1 9 . 1 1 24 24 THR CA C 17 60.540 60.540 61.068 -0.528 17827
4095 1 9 . 1 1 24 24 THR CB C 17 72.100 72.100 69.851 2.249 17827
4096 1 9 . 1 1 24 24 THR H H 17 7.850 7.850 7.525 0.325 17827
4097 1 9 . 1 1 25 25 TRP N N 18 117.728 117.728 118.034 -0.306 17827
4098 1 9 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.903 0.042 17827
4099 1 9 . 1 1 25 25 TRP C C 18 174.164 174.164 174.095 0.069 17827
4100 1 9 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.192 -1.572 17827
4101 1 9 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.026 0.624 17827
4102 1 9 . 1 1 25 25 TRP H H 18 8.640 8.640 7.379 1.261 17827
4103 1 9 . 1 1 26 26 GLU N N 19 117.728 117.728 118.582 -0.854 17827
4104 1 9 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.848 0.003 17827
4105 1 9 . 1 1 26 26 GLU C C 19 174.786 174.786 174.574 0.212 17827
4106 1 9 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.791 0.919 17827
4107 1 9 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.450 -0.950 17827
4108 1 9 . 1 1 26 26 GLU H H 19 8.744 8.744 8.494 0.250 17827
4109 1 9 . 1 1 27 27 LEU N N 20 126.668 126.668 119.186 7.482 17827
4110 1 9 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.744 0.136 17827
4111 1 9 . 1 1 27 27 LEU C C 20 175.123 175.123 175.310 -0.187 17827
4112 1 9 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.509 -0.257 17827
4113 1 9 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.565 -1.285 17827
4114 1 9 . 1 1 27 27 LEU H H 20 8.980 8.980 8.782 0.198 17827
4115 1 9 . 1 1 28 28 SER N N 21 121.804 121.804 117.200 4.604 17827
4116 1 9 . 1 1 28 28 SER HA H 21 4.894 4.894 5.106 -0.212 17827
4117 1 9 . 1 1 28 28 SER C C 21 173.483 173.483 173.045 0.438 17827
4118 1 9 . 1 1 28 28 SER CA C 21 57.880 57.880 57.274 0.606 17827
4119 1 9 . 1 1 28 28 SER CB C 21 63.920 63.920 65.105 -1.185 17827
4120 1 9 . 1 1 28 28 SER H H 21 8.785 8.785 8.568 0.217 17827
4121 1 9 . 1 1 29 29 VAL N N 22 125.881 125.881 122.111 3.770 17827
4122 1 9 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.441 -0.071 17827
4123 1 9 . 1 1 29 29 VAL C C 22 173.953 173.953 174.707 -0.754 17827
4124 1 9 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.648 0.792 17827
4125 1 9 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.705 -1.355 17827
4126 1 9 . 1 1 29 29 VAL H H 22 8.865 8.865 8.450 0.415 17827
4127 1 9 . 1 1 30 30 HIS N N 23 126.560 126.560 123.392 3.168 17827
4128 1 9 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.822 0.398 17827
4129 1 9 . 1 1 30 30 HIS C C 23 174.596 174.596 174.037 0.559 17827
4130 1 9 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.622 -0.372 17827
4131 1 9 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.022 -2.472 17827
4132 1 9 . 1 1 30 30 HIS H H 23 8.810 8.810 8.549 0.261 17827
4133 1 9 . 1 1 31 31 VAL N N 24 130.587 130.587 127.988 2.599 17827
4134 1 9 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.587 0.643 17827
4135 1 9 . 1 1 31 31 VAL C C 24 177.426 177.426 176.980 0.446 17827
4136 1 9 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.500 -6.970 17827
4137 1 9 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.656 -0.616 17827
4138 1 9 . 1 1 31 31 VAL H H 24 9.043 9.043 8.610 0.433 17827
4139 1 9 . 1 1 32 32 THR N N 25 122.484 122.484 121.169 1.315 17827
4140 1 9 . 1 1 32 32 THR HA H 25 3.970 3.970 4.281 -0.311 17827
4141 1 9 . 1 1 32 32 THR C C 25 177.437 177.437 176.523 0.914 17827
4142 1 9 . 1 1 32 32 THR CA C 25 66.470 66.470 65.086 1.384 17827
4143 1 9 . 1 1 32 32 THR CB C 25 68.220 68.220 69.196 -0.976 17827
4144 1 9 . 1 1 32 32 THR H H 25 8.245 8.245 8.686 -0.441 17827
4145 1 9 . 1 1 34 34 VAL N N 27 114.090 114.090 116.255 -2.165 17827
4146 1 9 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.170 0.330 17827
4147 1 9 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.337 -8.117 17827
4148 1 9 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.525 -6.465 17827
4149 1 9 . 1 1 34 34 VAL H H 27 6.977 6.977 7.353 -0.376 17827
4150 1 9 . 1 1 35 35 ASN N N 28 116.829 116.829 116.040 0.789 17827
4151 1 9 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.448 -0.149 17827
4152 1 9 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.420 -0.770 17827
4153 1 9 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.236 -0.126 17827
4154 1 9 . 1 1 35 35 ASN H H 28 7.897 7.897 7.999 -0.102 17827
4155 1 9 . 1 1 36 36 ARG N N 29 114.310 114.310 117.799 -3.489 17827
4156 1 9 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.650 0.050 17827
4157 1 9 . 1 1 36 36 ARG C C 29 173.347 173.347 173.988 -0.641 17827
4158 1 9 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.600 0.300 17827
4159 1 9 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.235 2.465 17827
4160 1 9 . 1 1 36 36 ARG H H 29 6.787 6.787 7.598 -0.811 17827
4161 1 9 . 1 1 37 37 ASP N N 30 124.071 124.071 117.846 6.225 17827
4162 1 9 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.578 0.897 17827
4163 1 9 . 1 1 37 37 ASP C C 30 175.354 175.354 174.512 0.842 17827
4164 1 9 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.290 0.370 17827
4165 1 9 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.865 -0.605 17827
4166 1 9 . 1 1 37 37 ASP H H 30 8.760 8.760 8.387 0.373 17827
4167 1 9 . 1 1 38 38 VAL N N 31 123.300 123.300 118.262 5.038 17827
4168 1 9 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.496 -0.226 17827
4169 1 9 . 1 1 38 38 VAL C C 31 174.203 174.203 174.367 -0.164 17827
4170 1 9 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.686 1.014 17827
4171 1 9 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.247 -1.627 17827
4172 1 9 . 1 1 38 38 VAL H H 31 9.187 9.187 7.907 1.280 17827
4173 1 9 . 1 1 39 39 THR N N 32 119.766 119.766 113.581 6.185 17827
4174 1 9 . 1 1 39 39 THR HA H 32 5.095 5.095 4.897 0.198 17827
4175 1 9 . 1 1 39 39 THR C C 32 173.547 173.547 173.078 0.469 17827
4176 1 9 . 1 1 39 39 THR CA C 32 60.550 60.550 60.102 0.448 17827
4177 1 9 . 1 1 39 39 THR CB C 32 70.170 70.170 71.189 -1.019 17827
4178 1 9 . 1 1 39 39 THR H H 32 8.360 8.360 8.131 0.229 17827
4179 1 9 . 1 1 40 40 LEU N N 33 124.522 124.522 122.175 2.347 17827
4180 1 9 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.572 0.018 17827
4181 1 9 . 1 1 40 40 LEU C C 33 174.691 174.691 175.829 -1.138 17827
4182 1 9 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.425 -0.845 17827
4183 1 9 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.390 1.020 17827
4184 1 9 . 1 1 40 40 LEU H H 33 8.750 8.750 8.131 0.619 17827
4185 1 9 . 1 1 41 41 ARG N N 34 122.712 122.712 124.678 -1.966 17827
4186 1 9 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.743 -0.063 17827
4187 1 9 . 1 1 41 41 ARG C C 34 175.700 175.700 174.729 0.971 17827
4188 1 9 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.979 0.441 17827
4189 1 9 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.496 0.004 17827
4190 1 9 . 1 1 41 41 ARG H H 34 8.345 8.345 8.819 -0.474 17827
4191 1 9 . 1 1 42 42 VAL N N 35 117.728 117.728 118.345 -0.617 17827
4192 1 9 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.624 -0.159 17827
4193 1 9 . 1 1 42 42 VAL C C 35 173.184 173.184 173.724 -0.540 17827
4194 1 9 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.106 -0.436 17827
4195 1 9 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.241 0.809 17827
4196 1 9 . 1 1 42 42 VAL H H 35 8.640 8.640 7.796 0.844 17827
4197 1 9 . 1 1 43 43 THR N N 36 104.359 104.359 109.206 -4.847 17827
4198 1 9 . 1 1 43 43 THR HA H 36 4.660 4.660 2.410 2.250 17827
4199 1 9 . 1 1 43 43 THR C C 36 174.862 174.862 175.342 -0.480 17827
4200 1 9 . 1 1 43 43 THR CA C 36 59.010 59.010 59.401 -0.391 17827
4201 1 9 . 1 1 43 43 THR CB C 36 71.570 71.570 71.234 0.336 17827
4202 1 9 . 1 1 43 43 THR H H 36 6.220 6.220 7.959 -1.739 17827
4203 1 9 . 1 1 44 44 GLY N N 37 105.946 105.946 107.373 -1.427 17827
4204 1 9 . 1 1 44 44 GLY C C 37 173.394 173.394 174.580 -1.186 17827
4205 1 9 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.194 -0.364 17827
4206 1 9 . 1 1 44 44 GLY H H 37 9.160 9.160 8.633 0.527 17827
4207 1 9 . 1 1 45 45 GLU N N 38 113.875 113.875 117.025 -3.150 17827
4208 1 9 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.233 0.057 17827
4209 1 9 . 1 1 45 45 GLU C C 38 176.167 176.167 176.383 -0.216 17827
4210 1 9 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.047 -0.547 17827
4211 1 9 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.883 1.067 17827
4212 1 9 . 1 1 45 45 GLU H H 38 7.500 7.500 7.173 0.327 17827
4213 1 9 . 1 1 46 46 VAL N N 39 121.577 121.577 122.796 -1.219 17827
4214 1 9 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.891 -0.071 17827
4215 1 9 . 1 1 46 46 VAL C C 39 174.651 174.651 175.154 -0.503 17827
4216 1 9 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.205 1.715 17827
4217 1 9 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.747 -1.157 17827
4218 1 9 . 1 1 46 46 VAL H H 39 7.260 7.260 7.683 -0.423 17827
4219 1 9 . 1 1 47 47 HIS N N 40 123.391 123.391 126.186 -2.795 17827
4220 1 9 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.535 0.677 17827
4221 1 9 . 1 1 47 47 HIS C C 40 177.440 177.440 176.525 0.915 17827
4222 1 9 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.665 -2.005 17827
4223 1 9 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.992 -0.082 17827
4224 1 9 . 1 1 47 47 HIS H H 40 8.285 8.285 8.280 0.005 17827
4225 1 9 . 1 1 48 48 ILE N N 41 124.071 124.071 124.073 -0.002 17827
4226 1 9 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.794 -0.264 17827
4227 1 9 . 1 1 48 48 ILE C C 41 178.941 178.941 178.134 0.807 17827
4228 1 9 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.313 -2.983 17827
4229 1 9 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.815 -3.585 17827
4230 1 9 . 1 1 48 48 ILE H H 41 8.863 8.863 8.719 0.144 17827
4231 1 9 . 1 1 49 49 GLY N N 42 106.853 106.853 105.036 1.817 17827
4232 1 9 . 1 1 49 49 GLY C C 42 175.669 175.669 175.175 0.494 17827
4233 1 9 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.233 -0.913 17827
4234 1 9 . 1 1 49 49 GLY H H 42 9.720 9.720 8.635 1.085 17827
4235 1 9 . 1 1 50 50 GLY N N 43 109.571 109.571 108.581 0.990 17827
4236 1 9 . 1 1 50 50 GLY C C 43 175.847 175.847 175.305 0.542 17827
4237 1 9 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.254 1.746 17827
4238 1 9 . 1 1 50 50 GLY H H 43 6.950 6.950 8.187 -1.237 17827
4239 1 9 . 1 1 51 51 VAL N N 44 123.163 123.163 124.656 -1.493 17827
4240 1 9 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.580 -0.465 17827
4241 1 9 . 1 1 51 51 VAL C C 44 176.804 176.804 177.794 -0.990 17827
4242 1 9 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.077 -0.417 17827
4243 1 9 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.105 -1.375 17827
4244 1 9 . 1 1 51 51 VAL H H 44 7.860 7.860 8.576 -0.716 17827
4245 1 9 . 1 1 52 52 MET N N 45 115.913 115.913 117.628 -1.715 17827
4246 1 9 . 1 1 52 52 MET HA H 45 3.410 3.410 4.421 -1.011 17827
4247 1 9 . 1 1 52 52 MET C C 45 176.881 176.881 177.987 -1.106 17827
4248 1 9 . 1 1 52 52 MET CA C 45 59.830 59.830 59.564 0.266 17827
4249 1 9 . 1 1 52 52 MET CB C 45 32.310 32.310 32.243 0.067 17827
4250 1 9 . 1 1 52 52 MET H H 45 7.940 7.940 7.823 0.117 17827
4251 1 9 . 1 1 53 53 LEU N N 46 118.291 118.291 121.987 -3.696 17827
4252 1 9 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.735 0.205 17827
4253 1 9 . 1 1 53 53 LEU C C 46 179.178 179.178 179.044 0.134 17827
4254 1 9 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.825 0.675 17827
4255 1 9 . 1 1 53 53 LEU CB C 46 41.930 41.930 40.920 1.010 17827
4256 1 9 . 1 1 53 53 LEU H H 46 7.550 7.550 7.556 -0.006 17827
4257 1 9 . 1 1 54 54 LYS N N 47 118.142 118.142 119.500 -1.358 17827
4258 1 9 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.939 -0.069 17827
4259 1 9 . 1 1 54 54 LYS C C 47 178.616 178.616 179.065 -0.449 17827
4260 1 9 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.386 -1.406 17827
4261 1 9 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.027 0.293 17827
4262 1 9 . 1 1 54 54 LYS H H 47 7.665 7.665 8.546 -0.881 17827
4263 1 9 . 1 1 55 55 LEU N N 48 119.385 119.385 120.121 -0.736 17827
4264 1 9 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.241 -0.671 17827
4265 1 9 . 1 1 55 55 LEU C C 48 177.405 177.405 177.816 -0.411 17827
4266 1 9 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.712 0.078 17827
4267 1 9 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.053 -0.464 17827
4268 1 9 . 1 1 55 55 LEU H H 48 7.975 7.975 7.484 0.491 17827
4269 1 9 . 1 1 56 56 VAL N N 49 116.141 116.141 120.086 -3.945 17827
4270 1 9 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.513 -0.523 17827
4271 1 9 . 1 1 56 56 VAL C C 49 178.564 178.564 178.644 -0.080 17827
4272 1 9 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.000 -0.690 17827
4273 1 9 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.078 0.222 17827
4274 1 9 . 1 1 56 56 VAL H H 49 7.615 7.615 8.744 -1.129 17827
4275 1 9 . 1 1 57 57 GLU N N 50 118.631 118.631 118.192 0.439 17827
4276 1 9 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.997 -0.032 17827
4277 1 9 . 1 1 57 57 GLU C C 50 178.030 178.030 177.935 0.095 17827
4278 1 9 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.866 -0.366 17827
4279 1 9 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.525 0.085 17827
4280 1 9 . 1 1 57 57 GLU H H 50 7.575 7.575 8.639 -1.064 17827
4281 1 9 . 1 1 58 58 LYS N N 51 117.053 117.053 117.574 -0.521 17827
4282 1 9 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.052 0.078 17827
4283 1 9 . 1 1 58 58 LYS C C 51 176.956 176.956 177.896 -0.940 17827
4284 1 9 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.508 -1.848 17827
4285 1 9 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.054 -0.394 17827
4286 1 9 . 1 1 58 58 LYS H H 51 7.490 7.490 7.418 0.072 17827
4287 1 9 . 1 1 59 59 LEU N N 52 119.460 119.460 120.577 -1.117 17827
4288 1 9 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.285 -0.163 17827
4289 1 9 . 1 1 59 59 LEU C C 52 176.645 176.645 175.519 1.126 17827
4290 1 9 . 1 1 59 59 LEU CA C 52 56.660 56.660 54.136 2.524 17827
4291 1 9 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.309 1.391 17827
4292 1 9 . 1 1 59 59 LEU H H 52 7.470 7.470 7.862 -0.392 17827
4293 1 9 . 1 1 62 62 LYS C C 55 175.670 175.670 175.749 -0.079 17827
4294 1 9 . 1 1 63 63 LYS N N 56 122.430 122.430 119.356 3.074 17827
4295 1 9 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.381 -0.351 17827
4296 1 9 . 1 1 63 63 LYS C C 56 172.850 172.850 175.901 -3.051 17827
4297 1 9 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.359 -1.829 17827
4298 1 9 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.756 0.684 17827
4299 1 9 . 1 1 63 63 LYS H H 56 7.245 7.245 8.239 -0.994 17827
4300 1 9 . 1 1 64 64 ASP N N 57 118.867 118.867 119.065 -0.198 17827
4301 1 9 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.875 -0.345 17827
4302 1 9 . 1 1 64 64 ASP C C 57 176.710 176.710 177.520 -0.810 17827
4303 1 9 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.578 -2.078 17827
4304 1 9 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.891 -1.571 17827
4305 1 9 . 1 1 64 64 ASP H H 57 7.867 7.867 8.637 -0.770 17827
4306 1 9 . 1 1 65 65 TRP N N 58 128.827 128.827 122.544 6.283 17827
4307 1 9 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.870 -0.330 17827
4308 1 9 . 1 1 65 65 TRP C C 58 178.390 178.390 176.897 1.493 17827
4309 1 9 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.687 -5.827 17827
4310 1 9 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.569 -0.149 17827
4311 1 9 . 1 1 65 65 TRP H H 58 8.790 8.790 8.276 0.514 17827
4312 1 9 . 1 1 66 66 SER N N 59 117.724 117.724 113.652 4.072 17827
4313 1 9 . 1 1 66 66 SER HA H 59 4.143 4.143 4.228 -0.085 17827
4314 1 9 . 1 1 66 66 SER C C 59 174.471 174.471 175.021 -0.550 17827
4315 1 9 . 1 1 66 66 SER CA C 59 62.350 62.350 59.497 2.853 17827
4316 1 9 . 1 1 66 66 SER CB C 59 63.110 63.110 63.059 0.051 17827
4317 1 9 . 1 1 66 66 SER H H 59 8.637 8.637 8.074 0.563 17827
4318 1 9 . 1 1 67 67 ASP N N 60 121.042 121.042 120.607 0.435 17827
4319 1 9 . 1 1 67 67 ASP C C 60 176.206 176.206 176.595 -0.389 17827
4320 1 9 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.955 1.605 17827
4321 1 9 . 1 1 67 67 ASP H H 60 8.895 8.895 8.471 0.424 17827
4322 1 9 . 1 1 68 68 HIS N N 61 121.519 121.519 113.601 7.918 17827
4323 1 9 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.769 -0.279 17827
4324 1 9 . 1 1 68 68 HIS C C 61 174.546 174.546 173.752 0.794 17827
4325 1 9 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.264 2.676 17827
4326 1 9 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.624 7.786 17827
4327 1 9 . 1 1 68 68 HIS H H 61 7.958 7.958 7.645 0.313 17827
4328 1 9 . 1 1 69 69 ALA N N 62 122.256 122.256 118.685 3.571 17827
4329 1 9 . 1 1 69 69 ALA C C 62 175.294 175.294 174.870 0.424 17827
4330 1 9 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.331 0.139 17827
4331 1 9 . 1 1 69 69 ALA H H 62 8.575 8.575 7.939 0.636 17827
4332 1 9 . 1 1 70 70 LEU N N 63 118.904 118.904 119.870 -0.966 17827
4333 1 9 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.894 0.760 17827
4334 1 9 . 1 1 70 70 LEU C C 63 174.445 174.445 176.423 -1.978 17827
4335 1 9 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.005 0.924 17827
4336 1 9 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.418 1.882 17827
4337 1 9 . 1 1 70 70 LEU H H 63 9.150 9.150 8.655 0.495 17827
4338 1 9 . 1 1 71 71 TRP N N 64 125.367 125.367 126.705 -1.338 17827
4339 1 9 . 1 1 71 71 TRP C C 64 174.010 174.010 175.347 -1.337 17827
4340 1 9 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.726 1.484 17827
4341 1 9 . 1 1 71 71 TRP H H 64 9.590 9.590 8.435 1.155 17827
4342 1 9 . 1 1 72 72 TRP N N 65 129.982 129.982 128.916 1.066 17827
4343 1 9 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.731 0.249 17827
4344 1 9 . 1 1 72 72 TRP C C 65 174.335 174.335 176.337 -2.002 17827
4345 1 9 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.102 -2.662 17827
4346 1 9 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.889 0.601 17827
4347 1 9 . 1 1 72 72 TRP H H 65 8.277 8.277 8.944 -0.667 17827
4348 1 9 . 1 1 73 73 GLU N N 66 129.112 129.112 128.227 0.885 17827
4349 1 9 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.904 -0.604 17827
4350 1 9 . 1 1 73 73 GLU C C 66 178.595 178.595 176.656 1.939 17827
4351 1 9 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.473 1.447 17827
4352 1 9 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.070 -0.010 17827
4353 1 9 . 1 1 73 73 GLU H H 66 8.969 8.969 8.427 0.542 17827
4354 1 9 . 1 1 74 74 LYS N N 67 117.492 117.492 119.291 -1.799 17827
4355 1 9 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.902 -0.200 17827
4356 1 9 . 1 1 74 74 LYS C C 67 176.361 176.361 177.515 -1.154 17827
4357 1 9 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.762 -0.102 17827
4358 1 9 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.946 0.074 17827
4359 1 9 . 1 1 74 74 LYS H H 67 7.860 7.860 8.339 -0.479 17827
4360 1 9 . 1 1 75 75 LYS N N 68 121.233 121.233 116.198 5.035 17827
4361 1 9 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.099 -0.164 17827
4362 1 9 . 1 1 75 75 LYS C C 68 174.183 174.183 176.000 -1.817 17827
4363 1 9 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.465 -2.065 17827
4364 1 9 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.355 -0.155 17827
4365 1 9 . 1 1 75 75 LYS H H 68 7.500 7.500 7.346 0.154 17827
4366 1 9 . 1 1 76 76 ARG N N 69 121.125 121.125 116.521 4.604 17827
4367 1 9 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.020 -1.130 17827
4368 1 9 . 1 1 76 76 ARG C C 69 173.984 173.984 176.194 -2.210 17827
4369 1 9 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.343 -1.026 17827
4370 1 9 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.922 0.168 17827
4371 1 9 . 1 1 76 76 ARG H H 69 7.500 7.500 8.217 -0.717 17827
4372 1 9 . 1 1 77 77 THR N N 70 110.478 110.478 112.294 -1.816 17827
4373 1 9 . 1 1 77 77 THR HA H 70 4.650 4.650 4.445 0.205 17827
4374 1 9 . 1 1 77 77 THR C C 70 171.846 171.846 172.129 -0.283 17827
4375 1 9 . 1 1 77 77 THR CA C 70 61.630 61.630 59.789 1.841 17827
4376 1 9 . 1 1 77 77 THR CB C 70 72.210 72.210 70.791 1.419 17827
4377 1 9 . 1 1 77 77 THR H H 70 6.280 6.280 7.432 -1.152 17827
4378 1 9 . 1 1 78 78 TRP N N 71 127.244 127.244 119.108 8.136 17827
4379 1 9 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.522 -0.772 17827
4380 1 9 . 1 1 78 78 TRP C C 71 177.303 177.303 175.786 1.517 17827
4381 1 9 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.028 1.212 17827
4382 1 9 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.060 -1.560 17827
4383 1 9 . 1 1 78 78 TRP H H 71 8.795 8.795 8.258 0.537 17827
4384 1 9 . 1 1 79 79 LEU N N 72 125.202 125.202 122.610 2.592 17827
4385 1 9 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.781 -0.281 17827
4386 1 9 . 1 1 79 79 LEU C C 72 175.667 175.667 176.406 -0.739 17827
4387 1 9 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.310 -1.800 17827
4388 1 9 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.869 -3.629 17827
4389 1 9 . 1 1 79 79 LEU H H 72 9.175 9.175 8.262 0.913 17827
4390 1 9 . 1 1 80 80 LEU N N 73 119.170 119.170 124.348 -5.178 17827
4391 1 9 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.491 -0.111 17827
4392 1 9 . 1 1 80 80 LEU C C 73 178.139 178.139 176.587 1.552 17827
4393 1 9 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.005 -0.305 17827
4394 1 9 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.344 -0.174 17827
4395 1 9 . 1 1 80 80 LEU H H 73 7.280 7.280 8.642 -1.362 17827
4396 1 9 . 1 1 81 81 LYS N N 74 119.766 119.766 118.518 1.248 17827
4397 1 9 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.292 0.143 17827
4398 1 9 . 1 1 81 81 LYS C C 74 176.601 176.601 177.415 -0.814 17827
4399 1 9 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.701 -2.041 17827
4400 1 9 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.206 -4.667 17827
4401 1 9 . 1 1 81 81 LYS H H 74 7.865 7.865 7.892 -0.027 17827
4402 1 9 . 1 1 82 82 THR N N 75 115.636 115.636 114.590 1.046 17827
4403 1 9 . 1 1 82 82 THR HA H 75 3.800 3.800 4.408 -0.608 17827
4404 1 9 . 1 1 82 82 THR C C 75 174.806 174.806 175.682 -0.876 17827
4405 1 9 . 1 1 82 82 THR CA C 75 64.650 64.650 64.597 0.053 17827
4406 1 9 . 1 1 82 82 THR CB C 75 68.260 68.260 68.743 -0.483 17827
4407 1 9 . 1 1 82 82 THR H H 75 7.910 7.910 8.738 -0.828 17827
4408 1 9 . 1 1 83 83 HIS N N 76 116.767 116.767 119.733 -2.966 17827
4409 1 9 . 1 1 83 83 HIS C C 76 176.370 176.370 174.898 1.472 17827
4410 1 9 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.631 0.579 17827
4411 1 9 . 1 1 83 83 HIS H H 76 8.965 8.965 8.602 0.363 17827
4412 1 9 . 1 1 84 84 TRP N N 77 123.905 123.905 118.132 5.773 17827
4413 1 9 . 1 1 84 84 TRP C C 77 175.584 175.584 175.283 0.301 17827
4414 1 9 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.284 2.106 17827
4415 1 9 . 1 1 84 84 TRP H H 77 7.635 7.635 7.603 0.032 17827
4416 1 9 . 1 1 85 85 THR N N 78 108.440 108.440 113.870 -5.430 17827
4417 1 9 . 1 1 85 85 THR HA H 78 4.900 4.900 4.162 0.738 17827
4418 1 9 . 1 1 85 85 THR C C 78 175.691 175.691 176.214 -0.523 17827
4419 1 9 . 1 1 85 85 THR CA C 78 59.500 59.500 63.461 -3.961 17827
4420 1 9 . 1 1 85 85 THR CB C 78 70.600 70.600 69.718 0.882 17827
4421 1 9 . 1 1 85 85 THR H H 78 7.030 7.030 7.591 -0.561 17827
4422 1 9 . 1 1 86 86 LEU N N 79 119.766 119.766 120.647 -0.881 17827
4423 1 9 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.008 0.032 17827
4424 1 9 . 1 1 86 86 LEU C C 79 179.734 179.734 179.090 0.644 17827
4425 1 9 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.263 -0.513 17827
4426 1 9 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.656 -0.206 17827
4427 1 9 . 1 1 86 86 LEU H H 79 8.045 8.045 8.692 -0.647 17827
4428 1 9 . 1 1 87 87 ASP N N 80 118.407 118.407 119.983 -1.576 17827
4429 1 9 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.361 0.079 17827
4430 1 9 . 1 1 87 87 ASP C C 80 179.152 179.152 178.639 0.513 17827
4431 1 9 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.980 0.340 17827
4432 1 9 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.294 0.027 17827
4433 1 9 . 1 1 87 87 ASP H H 80 8.935 8.935 8.785 0.150 17827
4434 1 9 . 1 1 88 88 LYS N N 81 123.300 123.300 119.835 3.465 17827
4435 1 9 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.840 -0.140 17827
4436 1 9 . 1 1 88 88 LYS C C 81 178.721 178.721 178.020 0.701 17827
4437 1 9 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.849 0.171 17827
4438 1 9 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.796 -0.156 17827
4439 1 9 . 1 1 88 88 LYS H H 81 8.055 8.055 8.299 -0.244 17827
4440 1 9 . 1 1 89 89 TYR N N 82 115.690 115.690 116.918 -1.228 17827
4441 1 9 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.683 -0.103 17827
4442 1 9 . 1 1 89 89 TYR C C 82 176.164 176.164 175.981 0.183 17827
4443 1 9 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.465 2.285 17827
4444 1 9 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.465 1.285 17827
4445 1 9 . 1 1 89 89 TYR H H 82 7.730 7.730 7.720 0.010 17827
4446 1 9 . 1 1 90 90 GLY N N 83 108.212 108.212 106.577 1.635 17827
4447 1 9 . 1 1 90 90 GLY C C 83 174.555 174.555 174.505 0.050 17827
4448 1 9 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.864 0.646 17827
4449 1 9 . 1 1 90 90 GLY H H 83 8.030 8.030 8.022 0.008 17827
4450 1 9 . 1 1 91 91 ILE N N 84 122.960 122.960 120.676 2.284 17827
4451 1 9 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.207 -0.837 17827
4452 1 9 . 1 1 91 91 ILE C C 84 173.611 173.611 174.976 -1.365 17827
4453 1 9 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.323 0.377 17827
4454 1 9 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.170 -1.560 17827
4455 1 9 . 1 1 91 91 ILE H H 84 7.850 7.850 7.880 -0.030 17827
4456 1 9 . 1 1 92 92 GLN N N 85 125.429 125.429 124.414 1.015 17827
4457 1 9 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.775 0.105 17827
4458 1 9 . 1 1 92 92 GLN C C 85 174.756 174.756 175.085 -0.329 17827
4459 1 9 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.728 -1.008 17827
4460 1 9 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.880 0.270 17827
4461 1 9 . 1 1 92 92 GLN H H 85 7.700 7.700 8.125 -0.425 17827
4462 1 9 . 1 1 93 93 ALA N N 86 118.217 118.217 121.060 -2.843 17827
4463 1 9 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.281 -0.481 17827
4464 1 9 . 1 1 93 93 ALA C C 86 177.201 177.201 177.345 -0.144 17827
4465 1 9 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.525 0.555 17827
4466 1 9 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.651 -0.241 17827
4467 1 9 . 1 1 93 93 ALA H H 86 6.886 6.886 8.074 -1.188 17827
4468 1 9 . 1 1 94 94 ASP N N 87 113.647 113.647 116.433 -2.786 17827
4469 1 9 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.520 -0.100 17827
4470 1 9 . 1 1 94 94 ASP C C 87 176.218 176.218 175.143 1.075 17827
4471 1 9 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.700 0.360 17827
4472 1 9 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.984 -1.384 17827
4473 1 9 . 1 1 94 94 ASP H H 87 8.223 8.223 8.052 0.171 17827
4474 1 9 . 1 1 95 95 ALA N N 88 124.145 124.145 122.572 1.573 17827
4475 1 9 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.568 -0.262 17827
4476 1 9 . 1 1 95 95 ALA C C 88 176.630 176.630 176.339 0.291 17827
4477 1 9 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.556 1.764 17827
4478 1 9 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.563 0.457 17827
4479 1 9 . 1 1 95 95 ALA H H 88 7.941 7.941 7.026 0.915 17827
4480 1 9 . 1 1 96 96 LYS N N 89 120.897 120.897 126.213 -5.316 17827
4481 1 9 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.695 0.131 17827
4482 1 9 . 1 1 96 96 LYS C C 89 176.161 176.161 176.167 -0.006 17827
4483 1 9 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.199 -0.463 17827
4484 1 9 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.435 -0.045 17827
4485 1 9 . 1 1 96 96 LYS H H 89 8.500 8.500 8.568 -0.068 17827
4486 1 9 . 1 1 97 97 LEU N N 90 122.960 122.960 124.331 -1.371 17827
4487 1 9 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.417 0.658 17827
4488 1 9 . 1 1 97 97 LEU C C 90 176.394 176.394 177.185 -0.791 17827
4489 1 9 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.626 -1.566 17827
4490 1 9 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.072 1.778 17827
4491 1 9 . 1 1 97 97 LEU H H 90 8.566 8.566 8.865 -0.299 17827
4492 1 9 . 1 1 98 98 GLN N N 91 119.538 119.538 115.922 3.616 17827
4493 1 9 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.877 0.833 17827
4494 1 9 . 1 1 98 98 GLN C C 91 174.144 174.144 174.535 -0.391 17827
4495 1 9 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.619 -0.259 17827
4496 1 9 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.940 -0.650 17827
4497 1 9 . 1 1 98 98 GLN H H 91 9.060 9.060 8.087 0.973 17827
4498 1 9 . 1 1 99 99 PHE N N 92 125.674 125.674 120.403 5.271 17827
4499 1 9 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.259 0.441 17827
4500 1 9 . 1 1 99 99 PHE C C 92 174.537 174.537 174.090 0.447 17827
4501 1 9 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.588 -2.398 17827
4502 1 9 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.830 -2.750 17827
4503 1 9 . 1 1 99 99 PHE H H 92 9.290 9.290 9.715 -0.425 17827
4504 1 9 . 1 1 100 100 THR N N 93 124.543 124.543 119.789 4.754 17827
4505 1 9 . 1 1 100 100 THR HA H 93 5.100 5.100 5.054 0.046 17827
4506 1 9 . 1 1 100 100 THR C C 93 180.164 180.164 172.521 7.643 17827
4507 1 9 . 1 1 100 100 THR CA C 93 58.830 58.830 59.516 -0.686 17827
4508 1 9 . 1 1 100 100 THR CB C 93 73.610 73.610 70.513 3.096 17827
4509 1 9 . 1 1 100 100 THR H H 93 8.945 8.945 8.823 0.122 17827
4510 1 10 . 1 1 9 9 ALA N N 2 124.336 124.336 122.417 1.919 17827
4511 1 10 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.685 -0.475 17827
4512 1 10 . 1 1 9 9 ALA C C 2 177.598 177.598 175.691 1.907 17827
4513 1 10 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.646 0.794 17827
4514 1 10 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.157 -0.127 17827
4515 1 10 . 1 1 9 9 ALA H H 2 8.018 8.018 8.560 -0.542 17827
4516 1 10 . 1 1 10 10 LEU N N 3 121.125 121.125 119.283 1.842 17827
4517 1 10 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.496 -0.286 17827
4518 1 10 . 1 1 10 10 LEU C C 3 177.094 177.094 176.983 0.111 17827
4519 1 10 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.823 -0.503 17827
4520 1 10 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.978 0.192 17827
4521 1 10 . 1 1 10 10 LEU H H 3 8.057 8.057 8.356 -0.299 17827
4522 1 10 . 1 1 11 11 ASP N N 4 119.766 119.766 119.133 0.633 17827
4523 1 10 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.641 -0.166 17827
4524 1 10 . 1 1 11 11 ASP C C 4 176.509 176.509 178.059 -1.550 17827
4525 1 10 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.257 0.293 17827
4526 1 10 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.710 0.240 17827
4527 1 10 . 1 1 11 11 ASP H H 4 8.145 8.145 8.133 0.012 17827
4528 1 10 . 1 1 12 12 GLY N N 5 108.440 108.440 110.466 -2.026 17827
4529 1 10 . 1 1 12 12 GLY C C 5 173.692 173.692 176.067 -2.375 17827
4530 1 10 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.793 -1.483 17827
4531 1 10 . 1 1 12 12 GLY H H 5 8.110 8.110 8.729 -0.619 17827
4532 1 10 . 1 1 13 13 ILE N N 6 119.766 119.766 120.501 -0.735 17827
4533 1 10 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.716 0.384 17827
4534 1 10 . 1 1 13 13 ILE C C 6 175.525 175.525 177.704 -2.179 17827
4535 1 10 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.234 -2.524 17827
4536 1 10 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.372 1.058 17827
4537 1 10 . 1 1 13 13 ILE H H 6 7.790 7.790 7.864 -0.074 17827
4538 1 10 . 1 1 14 14 ARG N N 7 125.657 125.657 119.845 5.812 17827
4539 1 10 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.176 0.034 17827
4540 1 10 . 1 1 14 14 ARG C C 7 175.810 175.810 176.283 -0.473 17827
4541 1 10 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.937 -2.297 17827
4542 1 10 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.932 0.058 17827
4543 1 10 . 1 1 14 14 ARG H H 7 8.410 8.410 8.043 0.367 17827
4544 1 10 . 1 1 15 15 MET N N 8 123.598 123.598 114.820 8.778 17827
4545 1 10 . 1 1 15 15 MET HA H 8 4.210 4.210 4.968 -0.758 17827
4546 1 10 . 1 1 15 15 MET C C 8 174.950 174.950 174.395 0.555 17827
4547 1 10 . 1 1 15 15 MET CA C 8 55.330 55.330 53.146 2.184 17827
4548 1 10 . 1 1 15 15 MET CB C 8 31.730 31.730 31.971 -0.241 17827
4549 1 10 . 1 1 15 15 MET H H 8 8.495 8.495 7.686 0.809 17827
4550 1 10 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.307 -0.017 17827
4551 1 10 . 1 1 16 16 PRO C C 9 176.228 176.228 176.479 -0.251 17827
4552 1 10 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.554 -1.184 17827
4553 1 10 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.011 0.809 17827
4554 1 10 . 1 1 17 17 ASP N N 10 117.952 117.952 116.787 1.165 17827
4555 1 10 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.716 -0.296 17827
4556 1 10 . 1 1 17 17 ASP C C 10 176.714 176.714 176.658 0.056 17827
4557 1 10 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.656 -0.526 17827
4558 1 10 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.536 -0.106 17827
4559 1 10 . 1 1 17 17 ASP H H 10 8.076 8.076 8.027 0.049 17827
4560 1 10 . 1 1 18 18 GLY N N 11 108.663 108.663 105.861 2.802 17827
4561 1 10 . 1 1 18 18 GLY C C 11 173.819 173.819 174.114 -0.295 17827
4562 1 10 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.155 0.145 17827
4563 1 10 . 1 1 18 18 GLY H H 11 8.255 8.255 7.690 0.565 17827
4564 1 10 . 1 1 19 19 CYS N N 12 118.179 118.179 119.008 -0.829 17827
4565 1 10 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827
4566 1 10 . 1 1 19 19 CYS C C 12 174.073 174.073 174.279 -0.206 17827
4567 1 10 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.505 -3.085 17827
4568 1 10 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.650 -0.250 17827
4569 1 10 . 1 1 19 19 CYS H H 12 7.850 7.850 8.103 -0.253 17827
4570 1 10 . 1 1 20 20 TYR N N 13 120.897 120.897 120.418 0.479 17827
4571 1 10 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.435 0.115 17827
4572 1 10 . 1 1 20 20 TYR C C 13 176.748 176.748 174.718 2.030 17827
4573 1 10 . 1 1 20 20 TYR CA C 13 58.470 58.470 59.680 -1.210 17827
4574 1 10 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.097 0.113 17827
4575 1 10 . 1 1 20 20 TYR H H 13 8.550 8.550 8.146 0.404 17827
4576 1 10 . 1 1 21 21 ALA N N 14 124.750 124.750 126.614 -1.864 17827
4577 1 10 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.395 -0.205 17827
4578 1 10 . 1 1 21 21 ALA C C 14 177.181 177.181 175.924 1.257 17827
4579 1 10 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.468 1.062 17827
4580 1 10 . 1 1 21 21 ALA CB C 14 18.630 18.630 20.242 -1.612 17827
4581 1 10 . 1 1 21 21 ALA H H 14 8.615 8.615 8.391 0.224 17827
4582 1 10 . 1 1 22 22 ASP N N 15 117.500 117.500 122.644 -5.144 17827
4583 1 10 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.242 0.238 17827
4584 1 10 . 1 1 22 22 ASP C C 15 176.708 176.708 177.423 -0.715 17827
4585 1 10 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.011 -1.511 17827
4586 1 10 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.389 0.341 17827
4587 1 10 . 1 1 22 22 ASP H H 15 7.960 7.960 8.269 -0.309 17827
4588 1 10 . 1 1 23 23 GLY N N 16 108.891 108.891 107.215 1.676 17827
4589 1 10 . 1 1 23 23 GLY C C 16 174.373 174.373 173.709 0.664 17827
4590 1 10 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.822 -0.452 17827
4591 1 10 . 1 1 23 23 GLY H H 16 8.344 8.344 8.503 -0.159 17827
4592 1 10 . 1 1 24 24 THR N N 17 110.929 110.929 110.575 0.354 17827
4593 1 10 . 1 1 24 24 THR HA H 17 4.640 4.640 4.599 0.041 17827
4594 1 10 . 1 1 24 24 THR C C 17 173.620 173.620 173.230 0.390 17827
4595 1 10 . 1 1 24 24 THR CA C 17 60.540 60.540 60.413 0.127 17827
4596 1 10 . 1 1 24 24 THR CB C 17 72.100 72.100 70.601 1.499 17827
4597 1 10 . 1 1 24 24 THR H H 17 7.850 7.850 7.318 0.532 17827
4598 1 10 . 1 1 25 25 TRP N N 18 117.728 117.728 116.593 1.135 17827
4599 1 10 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.993 -0.048 17827
4600 1 10 . 1 1 25 25 TRP C C 18 174.164 174.164 173.849 0.315 17827
4601 1 10 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.321 -1.701 17827
4602 1 10 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.987 0.663 17827
4603 1 10 . 1 1 25 25 TRP H H 18 8.640 8.640 7.414 1.226 17827
4604 1 10 . 1 1 26 26 GLU N N 19 117.728 117.728 118.446 -0.718 17827
4605 1 10 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.830 0.021 17827
4606 1 10 . 1 1 26 26 GLU C C 19 174.786 174.786 174.540 0.246 17827
4607 1 10 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.773 0.938 17827
4608 1 10 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.479 -0.979 17827
4609 1 10 . 1 1 26 26 GLU H H 19 8.744 8.744 8.500 0.244 17827
4610 1 10 . 1 1 27 27 LEU N N 20 126.668 126.668 119.521 7.147 17827
4611 1 10 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.734 0.146 17827
4612 1 10 . 1 1 27 27 LEU C C 20 175.123 175.123 175.346 -0.223 17827
4613 1 10 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.463 -0.211 17827
4614 1 10 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.781 -1.501 17827
4615 1 10 . 1 1 27 27 LEU H H 20 8.980 8.980 8.800 0.180 17827
4616 1 10 . 1 1 28 28 SER N N 21 121.804 121.804 117.113 4.691 17827
4617 1 10 . 1 1 28 28 SER HA H 21 4.894 4.894 4.829 0.065 17827
4618 1 10 . 1 1 28 28 SER C C 21 173.483 173.483 172.887 0.596 17827
4619 1 10 . 1 1 28 28 SER CA C 21 57.880 57.880 56.776 1.104 17827
4620 1 10 . 1 1 28 28 SER CB C 21 63.920 63.920 64.320 -0.400 17827
4621 1 10 . 1 1 28 28 SER H H 21 8.785 8.785 8.392 0.393 17827
4622 1 10 . 1 1 29 29 VAL N N 22 125.881 125.881 121.997 3.884 17827
4623 1 10 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.388 -0.018 17827
4624 1 10 . 1 1 29 29 VAL C C 22 173.953 173.953 174.488 -0.535 17827
4625 1 10 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.277 0.163 17827
4626 1 10 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.114 -0.764 17827
4627 1 10 . 1 1 29 29 VAL H H 22 8.865 8.865 8.401 0.464 17827
4628 1 10 . 1 1 30 30 HIS N N 23 126.560 126.560 123.872 2.688 17827
4629 1 10 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.848 0.372 17827
4630 1 10 . 1 1 30 30 HIS C C 23 174.596 174.596 174.196 0.400 17827
4631 1 10 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.443 -0.193 17827
4632 1 10 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.818 -2.268 17827
4633 1 10 . 1 1 30 30 HIS H H 23 8.810 8.810 8.571 0.239 17827
4634 1 10 . 1 1 31 31 VAL N N 24 130.587 130.587 127.886 2.701 17827
4635 1 10 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.592 0.638 17827
4636 1 10 . 1 1 31 31 VAL C C 24 177.426 177.426 176.783 0.643 17827
4637 1 10 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.879 -7.349 17827
4638 1 10 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.129 -0.089 17827
4639 1 10 . 1 1 31 31 VAL H H 24 9.043 9.043 8.678 0.365 17827
4640 1 10 . 1 1 32 32 THR N N 25 122.484 122.484 122.884 -0.400 17827
4641 1 10 . 1 1 32 32 THR HA H 25 3.970 3.970 4.395 -0.425 17827
4642 1 10 . 1 1 32 32 THR C C 25 177.437 177.437 176.193 1.244 17827
4643 1 10 . 1 1 32 32 THR CA C 25 66.470 66.470 64.681 1.789 17827
4644 1 10 . 1 1 32 32 THR CB C 25 68.220 68.220 69.111 -0.891 17827
4645 1 10 . 1 1 32 32 THR H H 25 8.245 8.245 8.964 -0.719 17827
4646 1 10 . 1 1 34 34 VAL N N 27 114.090 114.090 115.118 -1.028 17827
4647 1 10 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.100 0.400 17827
4648 1 10 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.439 -8.219 17827
4649 1 10 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.251 -7.191 17827
4650 1 10 . 1 1 34 34 VAL H H 27 6.977 6.977 7.318 -0.341 17827
4651 1 10 . 1 1 35 35 ASN N N 28 116.829 116.829 116.261 0.568 17827
4652 1 10 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.504 -0.205 17827
4653 1 10 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.272 -0.622 17827
4654 1 10 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.779 -0.669 17827
4655 1 10 . 1 1 35 35 ASN H H 28 7.897 7.897 8.140 -0.243 17827
4656 1 10 . 1 1 36 36 ARG N N 29 114.310 114.310 117.221 -2.911 17827
4657 1 10 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.659 0.041 17827
4658 1 10 . 1 1 36 36 ARG C C 29 173.347 173.347 173.999 -0.652 17827
4659 1 10 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.608 0.292 17827
4660 1 10 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.401 2.300 17827
4661 1 10 . 1 1 36 36 ARG H H 29 6.787 6.787 7.646 -0.859 17827
4662 1 10 . 1 1 37 37 ASP N N 30 124.071 124.071 118.029 6.042 17827
4663 1 10 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.609 0.866 17827
4664 1 10 . 1 1 37 37 ASP C C 30 175.354 175.354 174.587 0.767 17827
4665 1 10 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.285 0.375 17827
4666 1 10 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.819 -0.559 17827
4667 1 10 . 1 1 37 37 ASP H H 30 8.760 8.760 8.417 0.343 17827
4668 1 10 . 1 1 38 38 VAL N N 31 123.300 123.300 118.461 4.839 17827
4669 1 10 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.551 -0.281 17827
4670 1 10 . 1 1 38 38 VAL C C 31 174.203 174.203 174.555 -0.352 17827
4671 1 10 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.049 0.651 17827
4672 1 10 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.178 -1.558 17827
4673 1 10 . 1 1 38 38 VAL H H 31 9.187 9.187 8.006 1.181 17827
4674 1 10 . 1 1 39 39 THR N N 32 119.766 119.766 112.736 7.030 17827
4675 1 10 . 1 1 39 39 THR HA H 32 5.095 5.095 4.913 0.182 17827
4676 1 10 . 1 1 39 39 THR C C 32 173.547 173.547 173.221 0.326 17827
4677 1 10 . 1 1 39 39 THR CA C 32 60.550 60.550 59.761 0.788 17827
4678 1 10 . 1 1 39 39 THR CB C 32 70.170 70.170 71.414 -1.244 17827
4679 1 10 . 1 1 39 39 THR H H 32 8.360 8.360 8.119 0.241 17827
4680 1 10 . 1 1 40 40 LEU N N 33 124.522 124.522 122.654 1.868 17827
4681 1 10 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.683 -0.093 17827
4682 1 10 . 1 1 40 40 LEU C C 33 174.691 174.691 175.782 -1.091 17827
4683 1 10 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.780 -1.200 17827
4684 1 10 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.565 0.845 17827
4685 1 10 . 1 1 40 40 LEU H H 33 8.750 8.750 8.202 0.548 17827
4686 1 10 . 1 1 41 41 ARG N N 34 122.712 122.712 124.854 -2.142 17827
4687 1 10 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.689 -0.009 17827
4688 1 10 . 1 1 41 41 ARG C C 34 175.700 175.700 174.357 1.343 17827
4689 1 10 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.327 0.093 17827
4690 1 10 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.538 -0.038 17827
4691 1 10 . 1 1 41 41 ARG H H 34 8.345 8.345 8.739 -0.394 17827
4692 1 10 . 1 1 42 42 VAL N N 35 117.728 117.728 118.096 -0.368 17827
4693 1 10 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.405 0.060 17827
4694 1 10 . 1 1 42 42 VAL C C 35 173.184 173.184 173.594 -0.410 17827
4695 1 10 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.538 -0.868 17827
4696 1 10 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.377 0.673 17827
4697 1 10 . 1 1 42 42 VAL H H 35 8.640 8.640 7.847 0.793 17827
4698 1 10 . 1 1 43 43 THR N N 36 104.359 104.359 109.301 -4.942 17827
4699 1 10 . 1 1 43 43 THR HA H 36 4.660 4.660 2.344 2.316 17827
4700 1 10 . 1 1 43 43 THR C C 36 174.862 174.862 175.318 -0.456 17827
4701 1 10 . 1 1 43 43 THR CA C 36 59.010 59.010 59.353 -0.343 17827
4702 1 10 . 1 1 43 43 THR CB C 36 71.570 71.570 71.546 0.024 17827
4703 1 10 . 1 1 43 43 THR H H 36 6.220 6.220 7.710 -1.490 17827
4704 1 10 . 1 1 44 44 GLY N N 37 105.946 105.946 107.995 -2.049 17827
4705 1 10 . 1 1 44 44 GLY C C 37 173.394 173.394 174.503 -1.109 17827
4706 1 10 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.907 -0.077 17827
4707 1 10 . 1 1 44 44 GLY H H 37 9.160 9.160 8.594 0.566 17827
4708 1 10 . 1 1 45 45 GLU N N 38 113.875 113.875 117.446 -3.571 17827
4709 1 10 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.338 -0.048 17827
4710 1 10 . 1 1 45 45 GLU C C 38 176.167 176.167 176.517 -0.350 17827
4711 1 10 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.931 -0.431 17827
4712 1 10 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.737 1.213 17827
4713 1 10 . 1 1 45 45 GLU H H 38 7.500 7.500 7.328 0.172 17827
4714 1 10 . 1 1 46 46 VAL N N 39 121.577 121.577 122.138 -0.561 17827
4715 1 10 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.982 -0.162 17827
4716 1 10 . 1 1 46 46 VAL C C 39 174.651 174.651 175.248 -0.597 17827
4717 1 10 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.080 1.841 17827
4718 1 10 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.719 -1.129 17827
4719 1 10 . 1 1 46 46 VAL H H 39 7.260 7.260 7.591 -0.331 17827
4720 1 10 . 1 1 47 47 HIS N N 40 123.391 123.391 125.682 -2.291 17827
4721 1 10 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.554 0.658 17827
4722 1 10 . 1 1 47 47 HIS C C 40 177.440 177.440 176.435 1.005 17827
4723 1 10 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.286 -1.626 17827
4724 1 10 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.020 -0.110 17827
4725 1 10 . 1 1 47 47 HIS H H 40 8.285 8.285 8.459 -0.174 17827
4726 1 10 . 1 1 48 48 ILE N N 41 124.071 124.071 124.696 -0.625 17827
4727 1 10 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.814 -0.284 17827
4728 1 10 . 1 1 48 48 ILE C C 41 178.941 178.941 177.814 1.127 17827
4729 1 10 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.411 -3.081 17827
4730 1 10 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.941 -3.711 17827
4731 1 10 . 1 1 48 48 ILE H H 41 8.863 8.863 8.478 0.385 17827
4732 1 10 . 1 1 49 49 GLY N N 42 106.853 106.853 104.683 2.170 17827
4733 1 10 . 1 1 49 49 GLY C C 42 175.669 175.669 175.428 0.241 17827
4734 1 10 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.313 -0.993 17827
4735 1 10 . 1 1 49 49 GLY H H 42 9.720 9.720 8.687 1.033 17827
4736 1 10 . 1 1 50 50 GLY N N 43 109.571 109.571 109.263 0.308 17827
4737 1 10 . 1 1 50 50 GLY C C 43 175.847 175.847 175.317 0.530 17827
4738 1 10 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.436 1.564 17827
4739 1 10 . 1 1 50 50 GLY H H 43 6.950 6.950 8.190 -1.240 17827
4740 1 10 . 1 1 51 51 VAL N N 44 123.163 123.163 124.648 -1.485 17827
4741 1 10 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.540 -0.425 17827
4742 1 10 . 1 1 51 51 VAL C C 44 176.804 176.804 177.916 -1.112 17827
4743 1 10 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.203 -0.543 17827
4744 1 10 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.071 -1.341 17827
4745 1 10 . 1 1 51 51 VAL H H 44 7.860 7.860 8.713 -0.853 17827
4746 1 10 . 1 1 52 52 MET N N 45 115.913 115.913 117.506 -1.593 17827
4747 1 10 . 1 1 52 52 MET HA H 45 3.410 3.410 4.267 -0.857 17827
4748 1 10 . 1 1 52 52 MET C C 45 176.881 176.881 178.116 -1.235 17827
4749 1 10 . 1 1 52 52 MET CA C 45 59.830 59.830 59.546 0.284 17827
4750 1 10 . 1 1 52 52 MET CB C 45 32.310 32.310 32.015 0.295 17827
4751 1 10 . 1 1 52 52 MET H H 45 7.940 7.940 7.878 0.062 17827
4752 1 10 . 1 1 53 53 LEU N N 46 118.291 118.291 120.960 -2.669 17827
4753 1 10 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.923 0.017 17827
4754 1 10 . 1 1 53 53 LEU C C 46 179.178 179.178 179.114 0.064 17827
4755 1 10 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.784 0.716 17827
4756 1 10 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.026 0.904 17827
4757 1 10 . 1 1 53 53 LEU H H 46 7.550 7.550 7.588 -0.038 17827
4758 1 10 . 1 1 54 54 LYS N N 47 118.142 118.142 119.156 -1.014 17827
4759 1 10 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.157 -0.287 17827
4760 1 10 . 1 1 54 54 LYS C C 47 178.616 178.616 179.287 -0.671 17827
4761 1 10 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.101 -1.121 17827
4762 1 10 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.048 0.272 17827
4763 1 10 . 1 1 54 54 LYS H H 47 7.665 7.665 8.519 -0.854 17827
4764 1 10 . 1 1 55 55 LEU N N 48 119.385 119.385 120.611 -1.226 17827
4765 1 10 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.313 -0.743 17827
4766 1 10 . 1 1 55 55 LEU C C 48 177.405 177.405 177.870 -0.465 17827
4767 1 10 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.824 -0.034 17827
4768 1 10 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.263 -0.673 17827
4769 1 10 . 1 1 55 55 LEU H H 48 7.975 7.975 7.784 0.191 17827
4770 1 10 . 1 1 56 56 VAL N N 49 116.141 116.141 119.643 -3.502 17827
4771 1 10 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.652 -0.662 17827
4772 1 10 . 1 1 56 56 VAL C C 49 178.564 178.564 178.599 -0.035 17827
4773 1 10 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.298 -0.988 17827
4774 1 10 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.271 0.029 17827
4775 1 10 . 1 1 56 56 VAL H H 49 7.615 7.615 9.036 -1.421 17827
4776 1 10 . 1 1 57 57 GLU N N 50 118.631 118.631 118.012 0.619 17827
4777 1 10 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.002 -0.037 17827
4778 1 10 . 1 1 57 57 GLU C C 50 178.030 178.030 178.448 -0.418 17827
4779 1 10 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.014 -0.514 17827
4780 1 10 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.484 0.126 17827
4781 1 10 . 1 1 57 57 GLU H H 50 7.575 7.575 8.822 -1.247 17827
4782 1 10 . 1 1 58 58 LYS N N 51 117.053 117.053 118.534 -1.481 17827
4783 1 10 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.044 0.086 17827
4784 1 10 . 1 1 58 58 LYS C C 51 176.956 176.956 178.063 -1.107 17827
4785 1 10 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.364 -1.704 17827
4786 1 10 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.838 -0.178 17827
4787 1 10 . 1 1 58 58 LYS H H 51 7.490 7.490 7.405 0.085 17827
4788 1 10 . 1 1 59 59 LEU N N 52 119.460 119.460 118.833 0.627 17827
4789 1 10 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.136 -0.014 17827
4790 1 10 . 1 1 59 59 LEU C C 52 176.645 176.645 177.163 -0.518 17827
4791 1 10 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.940 0.720 17827
4792 1 10 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.054 0.646 17827
4793 1 10 . 1 1 59 59 LEU H H 52 7.470 7.470 7.999 -0.529 17827
4794 1 10 . 1 1 62 62 LYS C C 55 175.670 175.670 175.745 -0.075 17827
4795 1 10 . 1 1 63 63 LYS N N 56 122.430 122.430 120.938 1.492 17827
4796 1 10 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.222 -0.192 17827
4797 1 10 . 1 1 63 63 LYS C C 56 172.850 172.850 175.969 -3.119 17827
4798 1 10 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.943 -1.413 17827
4799 1 10 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.601 0.839 17827
4800 1 10 . 1 1 63 63 LYS H H 56 7.245 7.245 7.744 -0.499 17827
4801 1 10 . 1 1 64 64 ASP N N 57 118.867 118.867 119.234 -0.367 17827
4802 1 10 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.670 0.860 17827
4803 1 10 . 1 1 64 64 ASP C C 57 176.710 176.710 176.150 0.560 17827
4804 1 10 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.541 -1.041 17827
4805 1 10 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.257 -0.937 17827
4806 1 10 . 1 1 64 64 ASP H H 57 7.867 7.867 8.073 -0.206 17827
4807 1 10 . 1 1 65 65 TRP N N 58 128.827 128.827 121.857 6.970 17827
4808 1 10 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.521 0.019 17827
4809 1 10 . 1 1 65 65 TRP C C 58 178.390 178.390 178.106 0.284 17827
4810 1 10 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.690 -5.830 17827
4811 1 10 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.900 0.520 17827
4812 1 10 . 1 1 65 65 TRP H H 58 8.790 8.790 6.814 1.976 17827
4813 1 10 . 1 1 66 66 SER N N 59 117.724 117.724 115.748 1.976 17827
4814 1 10 . 1 1 66 66 SER HA H 59 4.143 4.143 4.119 0.024 17827
4815 1 10 . 1 1 66 66 SER C C 59 174.471 174.471 175.358 -0.887 17827
4816 1 10 . 1 1 66 66 SER CA C 59 62.350 62.350 60.777 1.573 17827
4817 1 10 . 1 1 66 66 SER CB C 59 63.110 63.110 62.196 0.914 17827
4818 1 10 . 1 1 66 66 SER H H 59 8.637 8.637 8.306 0.331 17827
4819 1 10 . 1 1 67 67 ASP N N 60 121.042 121.042 121.827 -0.785 17827
4820 1 10 . 1 1 67 67 ASP C C 60 176.206 176.206 176.793 -0.587 17827
4821 1 10 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.957 1.603 17827
4822 1 10 . 1 1 67 67 ASP H H 60 8.895 8.895 8.540 0.355 17827
4823 1 10 . 1 1 68 68 HIS N N 61 121.519 121.519 117.452 4.067 17827
4824 1 10 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.183 0.307 17827
4825 1 10 . 1 1 68 68 HIS C C 61 174.546 174.546 173.687 0.859 17827
4826 1 10 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.657 1.283 17827
4827 1 10 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.940 8.470 17827
4828 1 10 . 1 1 68 68 HIS H H 61 7.958 7.958 7.862 0.096 17827
4829 1 10 . 1 1 69 69 ALA N N 62 122.256 122.256 118.849 3.407 17827
4830 1 10 . 1 1 69 69 ALA C C 62 175.294 175.294 174.698 0.596 17827
4831 1 10 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.601 -0.131 17827
4832 1 10 . 1 1 69 69 ALA H H 62 8.575 8.575 8.400 0.175 17827
4833 1 10 . 1 1 70 70 LEU N N 63 118.904 118.904 120.811 -1.907 17827
4834 1 10 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.915 0.739 17827
4835 1 10 . 1 1 70 70 LEU C C 63 174.445 174.445 176.621 -2.176 17827
4836 1 10 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.117 0.813 17827
4837 1 10 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.435 1.865 17827
4838 1 10 . 1 1 70 70 LEU H H 63 9.150 9.150 8.664 0.486 17827
4839 1 10 . 1 1 71 71 TRP N N 64 125.367 125.367 126.317 -0.950 17827
4840 1 10 . 1 1 71 71 TRP C C 64 174.010 174.010 174.767 -0.757 17827
4841 1 10 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.650 1.560 17827
4842 1 10 . 1 1 71 71 TRP H H 64 9.590 9.590 8.627 0.963 17827
4843 1 10 . 1 1 72 72 TRP N N 65 129.982 129.982 129.684 0.298 17827
4844 1 10 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.673 0.307 17827
4845 1 10 . 1 1 72 72 TRP C C 65 174.335 174.335 176.219 -1.884 17827
4846 1 10 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.675 -4.235 17827
4847 1 10 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.202 0.288 17827
4848 1 10 . 1 1 72 72 TRP H H 65 8.277 8.277 8.810 -0.533 17827
4849 1 10 . 1 1 73 73 GLU N N 66 129.112 129.112 126.616 2.496 17827
4850 1 10 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.752 -0.452 17827
4851 1 10 . 1 1 73 73 GLU C C 66 178.595 178.595 176.760 1.835 17827
4852 1 10 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.746 1.174 17827
4853 1 10 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.885 0.175 17827
4854 1 10 . 1 1 73 73 GLU H H 66 8.969 8.969 8.929 0.040 17827
4855 1 10 . 1 1 74 74 LYS N N 67 117.492 117.492 118.761 -1.269 17827
4856 1 10 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.641 0.061 17827
4857 1 10 . 1 1 74 74 LYS C C 67 176.361 176.361 177.228 -0.867 17827
4858 1 10 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.349 0.311 17827
4859 1 10 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.236 0.784 17827
4860 1 10 . 1 1 74 74 LYS H H 67 7.860 7.860 7.973 -0.113 17827
4861 1 10 . 1 1 75 75 LYS N N 68 121.233 121.233 113.877 7.356 17827
4862 1 10 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.208 -0.273 17827
4863 1 10 . 1 1 75 75 LYS C C 68 174.183 174.183 175.624 -1.441 17827
4864 1 10 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.316 -1.917 17827
4865 1 10 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.773 -1.573 17827
4866 1 10 . 1 1 75 75 LYS H H 68 7.500 7.500 6.992 0.508 17827
4867 1 10 . 1 1 76 76 ARG N N 69 121.125 121.125 116.207 4.918 17827
4868 1 10 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.064 -1.174 17827
4869 1 10 . 1 1 76 76 ARG C C 69 173.984 173.984 175.159 -1.175 17827
4870 1 10 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.069 0.247 17827
4871 1 10 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.454 0.636 17827
4872 1 10 . 1 1 76 76 ARG H H 69 7.500 7.500 8.384 -0.884 17827
4873 1 10 . 1 1 77 77 THR N N 70 110.478 110.478 113.492 -3.014 17827
4874 1 10 . 1 1 77 77 THR HA H 70 4.650 4.650 3.965 0.685 17827
4875 1 10 . 1 1 77 77 THR C C 70 171.846 171.846 173.196 -1.350 17827
4876 1 10 . 1 1 77 77 THR CA C 70 61.630 61.630 60.641 0.989 17827
4877 1 10 . 1 1 77 77 THR CB C 70 72.210 72.210 71.222 0.988 17827
4878 1 10 . 1 1 77 77 THR H H 70 6.280 6.280 7.819 -1.539 17827
4879 1 10 . 1 1 78 78 TRP N N 71 127.244 127.244 126.426 0.818 17827
4880 1 10 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.100 -0.350 17827
4881 1 10 . 1 1 78 78 TRP C C 71 177.303 177.303 176.378 0.925 17827
4882 1 10 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.539 -0.299 17827
4883 1 10 . 1 1 78 78 TRP CB C 71 30.500 30.500 29.878 0.622 17827
4884 1 10 . 1 1 78 78 TRP H H 71 8.795 8.795 7.741 1.054 17827
4885 1 10 . 1 1 79 79 LEU N N 72 125.202 125.202 122.114 3.088 17827
4886 1 10 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.754 -0.254 17827
4887 1 10 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827
4888 1 10 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.170 -1.660 17827
4889 1 10 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.979 -2.739 17827
4890 1 10 . 1 1 79 79 LEU H H 72 9.175 9.175 8.142 1.033 17827
4891 1 10 . 1 1 80 80 LEU N N 73 119.170 119.170 123.428 -4.258 17827
4892 1 10 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.478 -0.098 17827
4893 1 10 . 1 1 80 80 LEU C C 73 178.139 178.139 176.883 1.256 17827
4894 1 10 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.550 -0.850 17827
4895 1 10 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.802 -0.632 17827
4896 1 10 . 1 1 80 80 LEU H H 73 7.280 7.280 8.355 -1.075 17827
4897 1 10 . 1 1 81 81 LYS N N 74 119.766 119.766 118.145 1.621 17827
4898 1 10 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.345 0.090 17827
4899 1 10 . 1 1 81 81 LYS C C 74 176.601 176.601 177.205 -0.604 17827
4900 1 10 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.392 -1.732 17827
4901 1 10 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.642 -5.102 17827
4902 1 10 . 1 1 81 81 LYS H H 74 7.865 7.865 7.681 0.184 17827
4903 1 10 . 1 1 82 82 THR N N 75 115.636 115.636 114.341 1.295 17827
4904 1 10 . 1 1 82 82 THR HA H 75 3.800 3.800 4.296 -0.496 17827
4905 1 10 . 1 1 82 82 THR C C 75 174.806 174.806 175.218 -0.412 17827
4906 1 10 . 1 1 82 82 THR CA C 75 64.650 64.650 63.675 0.975 17827
4907 1 10 . 1 1 82 82 THR CB C 75 68.260 68.260 68.933 -0.673 17827
4908 1 10 . 1 1 82 82 THR H H 75 7.910 7.910 8.717 -0.807 17827
4909 1 10 . 1 1 83 83 HIS N N 76 116.767 116.767 117.837 -1.070 17827
4910 1 10 . 1 1 83 83 HIS C C 76 176.370 176.370 174.641 1.729 17827
4911 1 10 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.836 0.374 17827
4912 1 10 . 1 1 83 83 HIS H H 76 8.965 8.965 8.246 0.719 17827
4913 1 10 . 1 1 84 84 TRP N N 77 123.905 123.905 119.640 4.265 17827
4914 1 10 . 1 1 84 84 TRP C C 77 175.584 175.584 175.608 -0.024 17827
4915 1 10 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.742 1.648 17827
4916 1 10 . 1 1 84 84 TRP H H 77 7.635 7.635 7.509 0.126 17827
4917 1 10 . 1 1 85 85 THR N N 78 108.440 108.440 114.211 -5.771 17827
4918 1 10 . 1 1 85 85 THR HA H 78 4.900 4.900 4.214 0.686 17827
4919 1 10 . 1 1 85 85 THR C C 78 175.691 175.691 175.943 -0.252 17827
4920 1 10 . 1 1 85 85 THR CA C 78 59.500 59.500 63.475 -3.975 17827
4921 1 10 . 1 1 85 85 THR CB C 78 70.600 70.600 69.604 0.996 17827
4922 1 10 . 1 1 85 85 THR H H 78 7.030 7.030 7.537 -0.507 17827
4923 1 10 . 1 1 86 86 LEU N N 79 119.766 119.766 121.896 -2.130 17827
4924 1 10 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.055 -0.015 17827
4925 1 10 . 1 1 86 86 LEU C C 79 179.734 179.734 179.143 0.591 17827
4926 1 10 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.183 -0.433 17827
4927 1 10 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.802 -0.352 17827
4928 1 10 . 1 1 86 86 LEU H H 79 8.045 8.045 8.742 -0.697 17827
4929 1 10 . 1 1 87 87 ASP N N 80 118.407 118.407 119.155 -0.748 17827
4930 1 10 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.387 0.053 17827
4931 1 10 . 1 1 87 87 ASP C C 80 179.152 179.152 178.673 0.479 17827
4932 1 10 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.021 0.299 17827
4933 1 10 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.621 -0.301 17827
4934 1 10 . 1 1 87 87 ASP H H 80 8.935 8.935 8.839 0.096 17827
4935 1 10 . 1 1 88 88 LYS N N 81 123.300 123.300 119.739 3.561 17827
4936 1 10 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.848 -0.148 17827
4937 1 10 . 1 1 88 88 LYS C C 81 178.721 178.721 178.190 0.531 17827
4938 1 10 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.984 0.036 17827
4939 1 10 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.873 -0.234 17827
4940 1 10 . 1 1 88 88 LYS H H 81 8.055 8.055 7.995 0.060 17827
4941 1 10 . 1 1 89 89 TYR N N 82 115.690 115.690 116.786 -1.096 17827
4942 1 10 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.505 0.075 17827
4943 1 10 . 1 1 89 89 TYR C C 82 176.164 176.164 176.398 -0.234 17827
4944 1 10 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.687 2.063 17827
4945 1 10 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.089 1.661 17827
4946 1 10 . 1 1 89 89 TYR H H 82 7.730 7.730 7.870 -0.140 17827
4947 1 10 . 1 1 90 90 GLY N N 83 108.212 108.212 106.728 1.484 17827
4948 1 10 . 1 1 90 90 GLY C C 83 174.555 174.555 174.266 0.289 17827
4949 1 10 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.083 0.427 17827
4950 1 10 . 1 1 90 90 GLY H H 83 8.030 8.030 8.074 -0.044 17827
4951 1 10 . 1 1 91 91 ILE N N 84 122.960 122.960 120.438 2.522 17827
4952 1 10 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.243 -0.873 17827
4953 1 10 . 1 1 91 91 ILE C C 84 173.611 173.611 175.041 -1.430 17827
4954 1 10 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.200 0.500 17827
4955 1 10 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.341 -1.731 17827
4956 1 10 . 1 1 91 91 ILE H H 84 7.850 7.850 7.943 -0.093 17827
4957 1 10 . 1 1 92 92 GLN N N 85 125.429 125.429 123.909 1.520 17827
4958 1 10 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.924 -0.044 17827
4959 1 10 . 1 1 92 92 GLN C C 85 174.756 174.756 175.060 -0.304 17827
4960 1 10 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.831 -1.111 17827
4961 1 10 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.798 0.352 17827
4962 1 10 . 1 1 92 92 GLN H H 85 7.700 7.700 8.153 -0.453 17827
4963 1 10 . 1 1 93 93 ALA N N 86 118.217 118.217 120.839 -2.622 17827
4964 1 10 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.257 -0.457 17827
4965 1 10 . 1 1 93 93 ALA C C 86 177.201 177.201 177.397 -0.196 17827
4966 1 10 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.258 0.822 17827
4967 1 10 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.738 -0.327 17827
4968 1 10 . 1 1 93 93 ALA H H 86 6.886 6.886 8.025 -1.139 17827
4969 1 10 . 1 1 94 94 ASP N N 87 113.647 113.647 117.446 -3.799 17827
4970 1 10 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.534 -0.114 17827
4971 1 10 . 1 1 94 94 ASP C C 87 176.218 176.218 175.217 1.001 17827
4972 1 10 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.904 0.156 17827
4973 1 10 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.926 -1.326 17827
4974 1 10 . 1 1 94 94 ASP H H 87 8.223 8.223 8.034 0.189 17827
4975 1 10 . 1 1 95 95 ALA N N 88 124.145 124.145 122.710 1.435 17827
4976 1 10 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.687 -0.381 17827
4977 1 10 . 1 1 95 95 ALA C C 88 176.630 176.630 176.464 0.166 17827
4978 1 10 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.731 1.589 17827
4979 1 10 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.725 0.295 17827
4980 1 10 . 1 1 95 95 ALA H H 88 7.941 7.941 7.131 0.810 17827
4981 1 10 . 1 1 96 96 LYS N N 89 120.897 120.897 126.520 -5.623 17827
4982 1 10 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.857 -0.031 17827
4983 1 10 . 1 1 96 96 LYS C C 89 176.161 176.161 176.208 -0.047 17827
4984 1 10 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.078 -0.342 17827
4985 1 10 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.100 0.290 17827
4986 1 10 . 1 1 96 96 LYS H H 89 8.500 8.500 8.727 -0.227 17827
4987 1 10 . 1 1 97 97 LEU N N 90 122.960 122.960 124.209 -1.249 17827
4988 1 10 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.241 0.834 17827
4989 1 10 . 1 1 97 97 LEU C C 90 176.394 176.394 177.247 -0.853 17827
4990 1 10 . 1 1 97 97 LEU CA C 90 53.060 53.060 55.020 -1.960 17827
4991 1 10 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.833 2.017 17827
4992 1 10 . 1 1 97 97 LEU H H 90 8.566 8.566 8.786 -0.220 17827
4993 1 10 . 1 1 98 98 GLN N N 91 119.538 119.538 115.797 3.741 17827
4994 1 10 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.899 0.811 17827
4995 1 10 . 1 1 98 98 GLN C C 91 174.144 174.144 174.571 -0.427 17827
4996 1 10 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.554 -0.194 17827
4997 1 10 . 1 1 98 98 GLN CB C 91 32.290 32.290 33.024 -0.734 17827
4998 1 10 . 1 1 98 98 GLN H H 91 9.060 9.060 8.073 0.987 17827
4999 1 10 . 1 1 99 99 PHE N N 92 125.674 125.674 120.526 5.148 17827
5000 1 10 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.410 0.290 17827
5001 1 10 . 1 1 99 99 PHE C C 92 174.537 174.537 173.821 0.716 17827
5002 1 10 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.365 -2.175 17827
5003 1 10 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.537 -2.457 17827
5004 1 10 . 1 1 99 99 PHE H H 92 9.290 9.290 9.805 -0.515 17827
5005 1 10 . 1 1 100 100 THR N N 93 124.543 124.543 117.985 6.558 17827
5006 1 10 . 1 1 100 100 THR HA H 93 5.100 5.100 4.884 0.216 17827
5007 1 10 . 1 1 100 100 THR C C 93 180.164 180.164 171.532 8.632 17827
5008 1 10 . 1 1 100 100 THR CA C 93 58.830 58.830 59.182 -0.352 17827
5009 1 10 . 1 1 100 100 THR CB C 93 73.610 73.610 71.441 2.169 17827
5010 1 10 . 1 1 100 100 THR H H 93 8.945 8.945 8.188 0.757 17827
5011 1 11 . 1 1 9 9 ALA N N 2 124.336 124.336 123.026 1.310 17827
5012 1 11 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.556 -0.346 17827
5013 1 11 . 1 1 9 9 ALA C C 2 177.598 177.598 176.415 1.183 17827
5014 1 11 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.378 0.062 17827
5015 1 11 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.757 -0.727 17827
5016 1 11 . 1 1 9 9 ALA H H 2 8.018 8.018 8.176 -0.158 17827
5017 1 11 . 1 1 10 10 LEU N N 3 121.125 121.125 122.282 -1.157 17827
5018 1 11 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.191 0.019 17827
5019 1 11 . 1 1 10 10 LEU C C 3 177.094 177.094 177.480 -0.386 17827
5020 1 11 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.342 -1.022 17827
5021 1 11 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.360 -0.190 17827
5022 1 11 . 1 1 10 10 LEU H H 3 8.057 8.057 8.710 -0.653 17827
5023 1 11 . 1 1 11 11 ASP N N 4 119.766 119.766 115.712 4.054 17827
5024 1 11 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.558 -0.083 17827
5025 1 11 . 1 1 11 11 ASP C C 4 176.509 176.509 177.592 -1.083 17827
5026 1 11 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.732 -0.182 17827
5027 1 11 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.926 0.024 17827
5028 1 11 . 1 1 11 11 ASP H H 4 8.145 8.145 8.491 -0.346 17827
5029 1 11 . 1 1 12 12 GLY N N 5 108.440 108.440 108.876 -0.436 17827
5030 1 11 . 1 1 12 12 GLY C C 5 173.692 173.692 175.549 -1.857 17827
5031 1 11 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.770 -0.460 17827
5032 1 11 . 1 1 12 12 GLY H H 5 8.110 8.110 8.501 -0.391 17827
5033 1 11 . 1 1 13 13 ILE N N 6 119.766 119.766 115.149 4.617 17827
5034 1 11 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.527 0.573 17827
5035 1 11 . 1 1 13 13 ILE C C 6 175.525 175.525 176.462 -0.937 17827
5036 1 11 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.308 -1.598 17827
5037 1 11 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.489 0.941 17827
5038 1 11 . 1 1 13 13 ILE H H 6 7.790 7.790 7.788 0.002 17827
5039 1 11 . 1 1 14 14 ARG N N 7 125.657 125.657 120.348 5.309 17827
5040 1 11 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.282 -0.072 17827
5041 1 11 . 1 1 14 14 ARG C C 7 175.810 175.810 176.355 -0.545 17827
5042 1 11 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.741 -2.101 17827
5043 1 11 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.418 0.572 17827
5044 1 11 . 1 1 14 14 ARG H H 7 8.410 8.410 7.674 0.736 17827
5045 1 11 . 1 1 15 15 MET N N 8 123.598 123.598 114.965 8.633 17827
5046 1 11 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.792 17827
5047 1 11 . 1 1 15 15 MET C C 8 174.950 174.950 174.666 0.284 17827
5048 1 11 . 1 1 15 15 MET CA C 8 55.330 55.330 53.893 1.437 17827
5049 1 11 . 1 1 15 15 MET CB C 8 31.730 31.730 32.548 -0.818 17827
5050 1 11 . 1 1 15 15 MET H H 8 8.495 8.495 7.543 0.952 17827
5051 1 11 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.334 -0.044 17827
5052 1 11 . 1 1 16 16 PRO C C 9 176.228 176.228 176.282 -0.054 17827
5053 1 11 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.466 -1.096 17827
5054 1 11 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.292 0.528 17827
5055 1 11 . 1 1 17 17 ASP N N 10 117.952 117.952 116.426 1.526 17827
5056 1 11 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.597 -0.177 17827
5057 1 11 . 1 1 17 17 ASP C C 10 176.714 176.714 176.763 -0.049 17827
5058 1 11 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.371 -0.241 17827
5059 1 11 . 1 1 17 17 ASP CB C 10 40.430 40.430 39.816 0.614 17827
5060 1 11 . 1 1 17 17 ASP H H 10 8.076 8.076 8.205 -0.129 17827
5061 1 11 . 1 1 18 18 GLY N N 11 108.663 108.663 106.086 2.577 17827
5062 1 11 . 1 1 18 18 GLY C C 11 173.819 173.819 175.108 -1.289 17827
5063 1 11 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.176 0.124 17827
5064 1 11 . 1 1 18 18 GLY H H 11 8.255 8.255 7.508 0.747 17827
5065 1 11 . 1 1 19 19 CYS N N 12 118.179 118.179 122.457 -4.278 17827
5066 1 11 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.385 0.165 17827
5067 1 11 . 1 1 19 19 CYS C C 12 174.073 174.073 175.112 -1.039 17827
5068 1 11 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.331 -2.911 17827
5069 1 11 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.587 0.813 17827
5070 1 11 . 1 1 19 19 CYS H H 12 7.850 7.850 8.417 -0.567 17827
5071 1 11 . 1 1 20 20 TYR N N 13 120.897 120.897 121.293 -0.396 17827
5072 1 11 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.569 -0.019 17827
5073 1 11 . 1 1 20 20 TYR C C 13 176.748 176.748 174.419 2.329 17827
5074 1 11 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.193 1.277 17827
5075 1 11 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.843 1.367 17827
5076 1 11 . 1 1 20 20 TYR H H 13 8.550 8.550 8.196 0.354 17827
5077 1 11 . 1 1 21 21 ALA N N 14 124.750 124.750 128.925 -4.175 17827
5078 1 11 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.764 0.426 17827
5079 1 11 . 1 1 21 21 ALA C C 14 177.181 177.181 176.935 0.246 17827
5080 1 11 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.361 -0.831 17827
5081 1 11 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.611 1.019 17827
5082 1 11 . 1 1 21 21 ALA H H 14 8.615 8.615 8.061 0.554 17827
5083 1 11 . 1 1 22 22 ASP N N 15 117.500 117.500 122.864 -5.364 17827
5084 1 11 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.607 -0.127 17827
5085 1 11 . 1 1 22 22 ASP C C 15 176.708 176.708 178.155 -1.447 17827
5086 1 11 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.064 -1.564 17827
5087 1 11 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.578 -0.848 17827
5088 1 11 . 1 1 22 22 ASP H H 15 7.960 7.960 8.577 -0.617 17827
5089 1 11 . 1 1 23 23 GLY N N 16 108.891 108.891 109.464 -0.573 17827
5090 1 11 . 1 1 23 23 GLY C C 16 174.373 174.373 173.230 1.143 17827
5091 1 11 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.717 -1.347 17827
5092 1 11 . 1 1 23 23 GLY H H 16 8.344 8.344 8.212 0.132 17827
5093 1 11 . 1 1 24 24 THR N N 17 110.929 110.929 108.755 2.174 17827
5094 1 11 . 1 1 24 24 THR HA H 17 4.640 4.640 4.487 0.153 17827
5095 1 11 . 1 1 24 24 THR C C 17 173.620 173.620 173.090 0.530 17827
5096 1 11 . 1 1 24 24 THR CA C 17 60.540 60.540 59.958 0.582 17827
5097 1 11 . 1 1 24 24 THR CB C 17 72.100 72.100 71.119 0.981 17827
5098 1 11 . 1 1 24 24 THR H H 17 7.850 7.850 7.564 0.286 17827
5099 1 11 . 1 1 25 25 TRP N N 18 117.728 117.728 122.015 -4.287 17827
5100 1 11 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.928 0.017 17827
5101 1 11 . 1 1 25 25 TRP C C 18 174.164 174.164 173.822 0.342 17827
5102 1 11 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.489 -1.869 17827
5103 1 11 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.358 0.292 17827
5104 1 11 . 1 1 25 25 TRP H H 18 8.640 8.640 7.737 0.903 17827
5105 1 11 . 1 1 26 26 GLU N N 19 117.728 117.728 119.002 -1.274 17827
5106 1 11 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.850 0.001 17827
5107 1 11 . 1 1 26 26 GLU C C 19 174.786 174.786 174.600 0.186 17827
5108 1 11 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.815 0.895 17827
5109 1 11 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.462 -0.961 17827
5110 1 11 . 1 1 26 26 GLU H H 19 8.744 8.744 8.511 0.233 17827
5111 1 11 . 1 1 27 27 LEU N N 20 126.668 126.668 119.594 7.074 17827
5112 1 11 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.762 0.118 17827
5113 1 11 . 1 1 27 27 LEU C C 20 175.123 175.123 175.402 -0.279 17827
5114 1 11 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.496 -0.244 17827
5115 1 11 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.739 -1.459 17827
5116 1 11 . 1 1 27 27 LEU H H 20 8.980 8.980 8.787 0.193 17827
5117 1 11 . 1 1 28 28 SER N N 21 121.804 121.804 117.529 4.275 17827
5118 1 11 . 1 1 28 28 SER HA H 21 4.894 4.894 5.074 -0.180 17827
5119 1 11 . 1 1 28 28 SER C C 21 173.483 173.483 172.876 0.607 17827
5120 1 11 . 1 1 28 28 SER CA C 21 57.880 57.880 56.692 1.188 17827
5121 1 11 . 1 1 28 28 SER CB C 21 63.920 63.920 64.605 -0.685 17827
5122 1 11 . 1 1 28 28 SER H H 21 8.785 8.785 8.589 0.196 17827
5123 1 11 . 1 1 29 29 VAL N N 22 125.881 125.881 122.964 2.917 17827
5124 1 11 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.466 -0.096 17827
5125 1 11 . 1 1 29 29 VAL C C 22 173.953 173.953 174.960 -1.007 17827
5126 1 11 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.634 -0.194 17827
5127 1 11 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.958 -1.608 17827
5128 1 11 . 1 1 29 29 VAL H H 22 8.865 8.865 8.327 0.538 17827
5129 1 11 . 1 1 30 30 HIS N N 23 126.560 126.560 123.407 3.153 17827
5130 1 11 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.792 0.428 17827
5131 1 11 . 1 1 30 30 HIS C C 23 174.596 174.596 173.976 0.620 17827
5132 1 11 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.442 -0.192 17827
5133 1 11 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.888 -2.338 17827
5134 1 11 . 1 1 30 30 HIS H H 23 8.810 8.810 8.522 0.288 17827
5135 1 11 . 1 1 31 31 VAL N N 24 130.587 130.587 125.596 4.991 17827
5136 1 11 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.756 0.474 17827
5137 1 11 . 1 1 31 31 VAL C C 24 177.426 177.426 176.223 1.203 17827
5138 1 11 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.237 -5.707 17827
5139 1 11 . 1 1 31 31 VAL CB C 24 31.040 31.040 32.356 -1.316 17827
5140 1 11 . 1 1 31 31 VAL H H 24 9.043 9.043 8.673 0.370 17827
5141 1 11 . 1 1 32 32 THR N N 25 122.484 122.484 120.085 2.399 17827
5142 1 11 . 1 1 32 32 THR HA H 25 3.970 3.970 4.452 -0.482 17827
5143 1 11 . 1 1 32 32 THR C C 25 177.437 177.437 176.204 1.233 17827
5144 1 11 . 1 1 32 32 THR CA C 25 66.470 66.470 63.245 3.225 17827
5145 1 11 . 1 1 32 32 THR CB C 25 68.220 68.220 69.205 -0.985 17827
5146 1 11 . 1 1 32 32 THR H H 25 8.245 8.245 8.572 -0.327 17827
5147 1 11 . 1 1 34 34 VAL N N 27 114.090 114.090 111.468 2.622 17827
5148 1 11 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.135 0.365 17827
5149 1 11 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.197 -7.977 17827
5150 1 11 . 1 1 34 34 VAL CB C 27 27.060 27.060 32.995 -5.935 17827
5151 1 11 . 1 1 34 34 VAL H H 27 6.977 6.977 7.459 -0.482 17827
5152 1 11 . 1 1 35 35 ASN N N 28 116.829 116.829 115.899 0.930 17827
5153 1 11 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.517 -0.218 17827
5154 1 11 . 1 1 35 35 ASN CA C 28 53.650 53.650 53.993 -0.343 17827
5155 1 11 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.953 -0.843 17827
5156 1 11 . 1 1 35 35 ASN H H 28 7.897 7.897 8.479 -0.582 17827
5157 1 11 . 1 1 36 36 ARG N N 29 114.310 114.310 118.757 -4.447 17827
5158 1 11 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.611 0.089 17827
5159 1 11 . 1 1 36 36 ARG C C 29 173.347 173.347 174.226 -0.879 17827
5160 1 11 . 1 1 36 36 ARG CA C 29 54.900 54.900 55.725 -0.825 17827
5161 1 11 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.577 3.123 17827
5162 1 11 . 1 1 36 36 ARG H H 29 6.787 6.787 8.066 -1.279 17827
5163 1 11 . 1 1 37 37 ASP N N 30 124.071 124.071 118.028 6.043 17827
5164 1 11 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.691 0.784 17827
5165 1 11 . 1 1 37 37 ASP C C 30 175.354 175.354 174.720 0.634 17827
5166 1 11 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.217 0.443 17827
5167 1 11 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.995 -0.735 17827
5168 1 11 . 1 1 37 37 ASP H H 30 8.760 8.760 8.356 0.404 17827
5169 1 11 . 1 1 38 38 VAL N N 31 123.300 123.300 118.119 5.181 17827
5170 1 11 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.482 -0.212 17827
5171 1 11 . 1 1 38 38 VAL C C 31 174.203 174.203 174.460 -0.257 17827
5172 1 11 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.873 0.827 17827
5173 1 11 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.163 -1.543 17827
5174 1 11 . 1 1 38 38 VAL H H 31 9.187 9.187 7.969 1.218 17827
5175 1 11 . 1 1 39 39 THR N N 32 119.766 119.766 113.865 5.901 17827
5176 1 11 . 1 1 39 39 THR HA H 32 5.095 5.095 4.937 0.158 17827
5177 1 11 . 1 1 39 39 THR C C 32 173.547 173.547 173.054 0.493 17827
5178 1 11 . 1 1 39 39 THR CA C 32 60.550 60.550 60.202 0.348 17827
5179 1 11 . 1 1 39 39 THR CB C 32 70.170 70.170 71.118 -0.948 17827
5180 1 11 . 1 1 39 39 THR H H 32 8.360 8.360 8.075 0.285 17827
5181 1 11 . 1 1 40 40 LEU N N 33 124.522 124.522 122.502 2.020 17827
5182 1 11 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.625 -0.035 17827
5183 1 11 . 1 1 40 40 LEU C C 33 174.691 174.691 175.722 -1.031 17827
5184 1 11 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.705 -1.125 17827
5185 1 11 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.345 1.065 17827
5186 1 11 . 1 1 40 40 LEU H H 33 8.750 8.750 8.122 0.628 17827
5187 1 11 . 1 1 41 41 ARG N N 34 122.712 122.712 124.742 -2.030 17827
5188 1 11 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.695 -0.015 17827
5189 1 11 . 1 1 41 41 ARG C C 34 175.700 175.700 174.372 1.328 17827
5190 1 11 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.385 0.035 17827
5191 1 11 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.600 -0.100 17827
5192 1 11 . 1 1 41 41 ARG H H 34 8.345 8.345 8.739 -0.394 17827
5193 1 11 . 1 1 42 42 VAL N N 35 117.728 117.728 120.482 -2.754 17827
5194 1 11 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.452 0.013 17827
5195 1 11 . 1 1 42 42 VAL C C 35 173.184 173.184 173.511 -0.327 17827
5196 1 11 . 1 1 42 42 VAL CA C 35 58.670 58.670 60.057 -1.387 17827
5197 1 11 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.476 0.574 17827
5198 1 11 . 1 1 42 42 VAL H H 35 8.640 8.640 7.744 0.896 17827
5199 1 11 . 1 1 43 43 THR N N 36 104.359 104.359 107.757 -3.398 17827
5200 1 11 . 1 1 43 43 THR HA H 36 4.660 4.660 2.552 2.108 17827
5201 1 11 . 1 1 43 43 THR C C 36 174.862 174.862 175.044 -0.182 17827
5202 1 11 . 1 1 43 43 THR CA C 36 59.010 59.010 59.106 -0.096 17827
5203 1 11 . 1 1 43 43 THR CB C 36 71.570 71.570 71.262 0.308 17827
5204 1 11 . 1 1 43 43 THR H H 36 6.220 6.220 7.710 -1.490 17827
5205 1 11 . 1 1 44 44 GLY N N 37 105.946 105.946 106.642 -0.696 17827
5206 1 11 . 1 1 44 44 GLY C C 37 173.394 173.394 174.587 -1.193 17827
5207 1 11 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.746 0.084 17827
5208 1 11 . 1 1 44 44 GLY H H 37 9.160 9.160 8.715 0.445 17827
5209 1 11 . 1 1 45 45 GLU N N 38 113.875 113.875 117.640 -3.765 17827
5210 1 11 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.351 -0.061 17827
5211 1 11 . 1 1 45 45 GLU C C 38 176.167 176.167 176.696 -0.529 17827
5212 1 11 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.069 -0.569 17827
5213 1 11 . 1 1 45 45 GLU CB C 38 30.950 30.950 30.107 0.843 17827
5214 1 11 . 1 1 45 45 GLU H H 38 7.500 7.500 7.336 0.164 17827
5215 1 11 . 1 1 46 46 VAL N N 39 121.577 121.577 122.104 -0.527 17827
5216 1 11 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.014 -0.194 17827
5217 1 11 . 1 1 46 46 VAL C C 39 174.651 174.651 175.274 -0.623 17827
5218 1 11 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.993 1.927 17827
5219 1 11 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.126 -1.536 17827
5220 1 11 . 1 1 46 46 VAL H H 39 7.260 7.260 7.484 -0.224 17827
5221 1 11 . 1 1 47 47 HIS N N 40 123.391 123.391 125.868 -2.477 17827
5222 1 11 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.611 0.601 17827
5223 1 11 . 1 1 47 47 HIS C C 40 177.440 177.440 176.566 0.874 17827
5224 1 11 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.148 -1.488 17827
5225 1 11 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.417 -0.507 17827
5226 1 11 . 1 1 47 47 HIS H H 40 8.285 8.285 8.386 -0.101 17827
5227 1 11 . 1 1 48 48 ILE N N 41 124.071 124.071 124.506 -0.435 17827
5228 1 11 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.802 -0.272 17827
5229 1 11 . 1 1 48 48 ILE C C 41 178.941 178.941 177.695 1.246 17827
5230 1 11 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.454 -3.123 17827
5231 1 11 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.890 -3.660 17827
5232 1 11 . 1 1 48 48 ILE H H 41 8.863 8.863 8.448 0.415 17827
5233 1 11 . 1 1 49 49 GLY N N 42 106.853 106.853 104.611 2.242 17827
5234 1 11 . 1 1 49 49 GLY C C 42 175.669 175.669 175.548 0.121 17827
5235 1 11 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.296 -0.976 17827
5236 1 11 . 1 1 49 49 GLY H H 42 9.720 9.720 8.720 1.000 17827
5237 1 11 . 1 1 50 50 GLY N N 43 109.571 109.571 109.236 0.335 17827
5238 1 11 . 1 1 50 50 GLY C C 43 175.847 175.847 175.532 0.315 17827
5239 1 11 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.750 1.250 17827
5240 1 11 . 1 1 50 50 GLY H H 43 6.950 6.950 8.250 -1.300 17827
5241 1 11 . 1 1 51 51 VAL N N 44 123.163 123.163 124.785 -1.622 17827
5242 1 11 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.673 -0.558 17827
5243 1 11 . 1 1 51 51 VAL C C 44 176.804 176.804 177.888 -1.084 17827
5244 1 11 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.711 -0.051 17827
5245 1 11 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.810 -1.080 17827
5246 1 11 . 1 1 51 51 VAL H H 44 7.860 7.860 8.698 -0.838 17827
5247 1 11 . 1 1 52 52 MET N N 45 115.913 115.913 117.633 -1.720 17827
5248 1 11 . 1 1 52 52 MET HA H 45 3.410 3.410 3.938 -0.528 17827
5249 1 11 . 1 1 52 52 MET C C 45 176.881 176.881 178.070 -1.189 17827
5250 1 11 . 1 1 52 52 MET CA C 45 59.830 59.830 59.475 0.355 17827
5251 1 11 . 1 1 52 52 MET CB C 45 32.310 32.310 31.298 1.012 17827
5252 1 11 . 1 1 52 52 MET H H 45 7.940 7.940 7.833 0.107 17827
5253 1 11 . 1 1 53 53 LEU N N 46 118.291 118.291 121.319 -3.028 17827
5254 1 11 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.035 -0.095 17827
5255 1 11 . 1 1 53 53 LEU C C 46 179.178 179.178 179.444 -0.266 17827
5256 1 11 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.925 0.575 17827
5257 1 11 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.195 0.735 17827
5258 1 11 . 1 1 53 53 LEU H H 46 7.550 7.550 7.738 -0.188 17827
5259 1 11 . 1 1 54 54 LYS N N 47 118.142 118.142 119.049 -0.907 17827
5260 1 11 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.032 -0.162 17827
5261 1 11 . 1 1 54 54 LYS C C 47 178.616 178.616 179.247 -0.631 17827
5262 1 11 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.111 -1.131 17827
5263 1 11 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.059 0.261 17827
5264 1 11 . 1 1 54 54 LYS H H 47 7.665 7.665 8.538 -0.873 17827
5265 1 11 . 1 1 55 55 LEU N N 48 119.385 119.385 120.577 -1.192 17827
5266 1 11 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.261 -0.691 17827
5267 1 11 . 1 1 55 55 LEU C C 48 177.405 177.405 177.808 -0.403 17827
5268 1 11 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.678 0.112 17827
5269 1 11 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.142 -0.552 17827
5270 1 11 . 1 1 55 55 LEU H H 48 7.975 7.975 7.880 0.095 17827
5271 1 11 . 1 1 56 56 VAL N N 49 116.141 116.141 119.164 -3.023 17827
5272 1 11 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.648 -0.658 17827
5273 1 11 . 1 1 56 56 VAL C C 49 178.564 178.564 178.236 0.328 17827
5274 1 11 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.554 -0.244 17827
5275 1 11 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.299 0.001 17827
5276 1 11 . 1 1 56 56 VAL H H 49 7.615 7.615 8.922 -1.307 17827
5277 1 11 . 1 1 57 57 GLU N N 50 118.631 118.631 117.861 0.770 17827
5278 1 11 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.102 -0.137 17827
5279 1 11 . 1 1 57 57 GLU C C 50 178.030 178.030 177.894 0.136 17827
5280 1 11 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.788 -0.287 17827
5281 1 11 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.750 -0.140 17827
5282 1 11 . 1 1 57 57 GLU H H 50 7.575 7.575 8.662 -1.087 17827
5283 1 11 . 1 1 58 58 LYS N N 51 117.053 117.053 118.547 -1.494 17827
5284 1 11 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.070 0.060 17827
5285 1 11 . 1 1 58 58 LYS C C 51 176.956 176.956 177.858 -0.902 17827
5286 1 11 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.051 -1.391 17827
5287 1 11 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.808 -0.148 17827
5288 1 11 . 1 1 58 58 LYS H H 51 7.490 7.490 7.441 0.049 17827
5289 1 11 . 1 1 59 59 LEU N N 52 119.460 119.460 119.759 -0.299 17827
5290 1 11 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.028 0.094 17827
5291 1 11 . 1 1 59 59 LEU C C 52 176.645 176.645 175.816 0.829 17827
5292 1 11 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.095 0.565 17827
5293 1 11 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.411 0.289 17827
5294 1 11 . 1 1 59 59 LEU H H 52 7.470 7.470 7.982 -0.512 17827
5295 1 11 . 1 1 62 62 LYS C C 55 175.670 175.670 174.751 0.919 17827
5296 1 11 . 1 1 63 63 LYS N N 56 122.430 122.430 120.408 2.022 17827
5297 1 11 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.157 -0.127 17827
5298 1 11 . 1 1 63 63 LYS C C 56 172.850 172.850 175.340 -2.490 17827
5299 1 11 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.655 -1.125 17827
5300 1 11 . 1 1 63 63 LYS CB C 56 34.440 34.440 32.899 1.541 17827
5301 1 11 . 1 1 63 63 LYS H H 56 7.245 7.245 7.797 -0.552 17827
5302 1 11 . 1 1 64 64 ASP N N 57 118.867 118.867 122.848 -3.981 17827
5303 1 11 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.263 0.267 17827
5304 1 11 . 1 1 64 64 ASP C C 57 176.710 176.710 175.047 1.663 17827
5305 1 11 . 1 1 64 64 ASP CA C 57 52.500 52.500 52.789 -0.289 17827
5306 1 11 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.967 -2.647 17827
5307 1 11 . 1 1 64 64 ASP H H 57 7.867 7.867 8.359 -0.492 17827
5308 1 11 . 1 1 65 65 TRP N N 58 128.827 128.827 120.087 8.740 17827
5309 1 11 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.752 -0.212 17827
5310 1 11 . 1 1 65 65 TRP C C 58 178.390 178.390 176.259 2.131 17827
5311 1 11 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.948 -5.088 17827
5312 1 11 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.967 0.453 17827
5313 1 11 . 1 1 65 65 TRP H H 58 8.790 8.790 7.948 0.842 17827
5314 1 11 . 1 1 66 66 SER N N 59 117.724 117.724 115.227 2.497 17827
5315 1 11 . 1 1 66 66 SER HA H 59 4.143 4.143 4.352 -0.209 17827
5316 1 11 . 1 1 66 66 SER C C 59 174.471 174.471 174.353 0.118 17827
5317 1 11 . 1 1 66 66 SER CA C 59 62.350 62.350 59.916 2.434 17827
5318 1 11 . 1 1 66 66 SER CB C 59 63.110 63.110 63.201 -0.091 17827
5319 1 11 . 1 1 66 66 SER H H 59 8.637 8.637 8.188 0.449 17827
5320 1 11 . 1 1 67 67 ASP N N 60 121.042 121.042 120.422 0.620 17827
5321 1 11 . 1 1 67 67 ASP C C 60 176.206 176.206 175.589 0.617 17827
5322 1 11 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.143 1.417 17827
5323 1 11 . 1 1 67 67 ASP H H 60 8.895 8.895 8.035 0.860 17827
5324 1 11 . 1 1 68 68 HIS N N 61 121.519 121.519 115.777 5.742 17827
5325 1 11 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.253 0.237 17827
5326 1 11 . 1 1 68 68 HIS C C 61 174.546 174.546 173.884 0.662 17827
5327 1 11 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.672 2.268 17827
5328 1 11 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.692 8.718 17827
5329 1 11 . 1 1 68 68 HIS H H 61 7.958 7.958 6.940 1.018 17827
5330 1 11 . 1 1 69 69 ALA N N 62 122.256 122.256 119.501 2.755 17827
5331 1 11 . 1 1 69 69 ALA C C 62 175.294 175.294 174.671 0.623 17827
5332 1 11 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.391 0.079 17827
5333 1 11 . 1 1 69 69 ALA H H 62 8.575 8.575 8.155 0.420 17827
5334 1 11 . 1 1 70 70 LEU N N 63 118.904 118.904 120.607 -1.703 17827
5335 1 11 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.915 0.739 17827
5336 1 11 . 1 1 70 70 LEU C C 63 174.445 174.445 176.516 -2.071 17827
5337 1 11 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.066 0.864 17827
5338 1 11 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.834 1.466 17827
5339 1 11 . 1 1 70 70 LEU H H 63 9.150 9.150 8.635 0.515 17827
5340 1 11 . 1 1 71 71 TRP N N 64 125.367 125.367 126.893 -1.526 17827
5341 1 11 . 1 1 71 71 TRP C C 64 174.010 174.010 175.168 -1.158 17827
5342 1 11 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.909 1.301 17827
5343 1 11 . 1 1 71 71 TRP H H 64 9.590 9.590 8.634 0.956 17827
5344 1 11 . 1 1 72 72 TRP N N 65 129.982 129.982 129.886 0.096 17827
5345 1 11 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.923 0.057 17827
5346 1 11 . 1 1 72 72 TRP C C 65 174.335 174.335 176.390 -2.055 17827
5347 1 11 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.289 -2.849 17827
5348 1 11 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.716 0.774 17827
5349 1 11 . 1 1 72 72 TRP H H 65 8.277 8.277 9.232 -0.955 17827
5350 1 11 . 1 1 73 73 GLU N N 66 129.112 129.112 128.039 1.073 17827
5351 1 11 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.889 -0.589 17827
5352 1 11 . 1 1 73 73 GLU C C 66 178.595 178.595 177.602 0.993 17827
5353 1 11 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.382 0.538 17827
5354 1 11 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.131 -0.071 17827
5355 1 11 . 1 1 73 73 GLU H H 66 8.969 8.969 9.014 -0.045 17827
5356 1 11 . 1 1 74 74 LYS N N 67 117.492 117.492 120.296 -2.804 17827
5357 1 11 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.845 -0.143 17827
5358 1 11 . 1 1 74 74 LYS C C 67 176.361 176.361 177.567 -1.206 17827
5359 1 11 . 1 1 74 74 LYS CA C 67 58.660 58.660 59.134 -0.474 17827
5360 1 11 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.644 0.376 17827
5361 1 11 . 1 1 74 74 LYS H H 67 7.860 7.860 8.427 -0.567 17827
5362 1 11 . 1 1 75 75 LYS N N 68 121.233 121.233 115.443 5.790 17827
5363 1 11 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.030 -0.095 17827
5364 1 11 . 1 1 75 75 LYS C C 68 174.183 174.183 176.142 -1.959 17827
5365 1 11 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.902 -1.502 17827
5366 1 11 . 1 1 75 75 LYS CB C 68 32.200 32.200 31.735 0.465 17827
5367 1 11 . 1 1 75 75 LYS H H 68 7.500 7.500 7.334 0.166 17827
5368 1 11 . 1 1 76 76 ARG N N 69 121.125 121.125 116.838 4.287 17827
5369 1 11 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.393 -1.503 17827
5370 1 11 . 1 1 76 76 ARG C C 69 173.984 173.984 175.632 -1.648 17827
5371 1 11 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.322 -1.006 17827
5372 1 11 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.478 -0.388 17827
5373 1 11 . 1 1 76 76 ARG H H 69 7.500 7.500 8.345 -0.845 17827
5374 1 11 . 1 1 77 77 THR N N 70 110.478 110.478 112.397 -1.919 17827
5375 1 11 . 1 1 77 77 THR HA H 70 4.650 4.650 3.981 0.669 17827
5376 1 11 . 1 1 77 77 THR C C 70 171.846 171.846 172.825 -0.979 17827
5377 1 11 . 1 1 77 77 THR CA C 70 61.630 61.630 59.377 2.253 17827
5378 1 11 . 1 1 77 77 THR CB C 70 72.210 72.210 70.832 1.378 17827
5379 1 11 . 1 1 77 77 THR H H 70 6.280 6.280 7.474 -1.194 17827
5380 1 11 . 1 1 78 78 TRP N N 71 127.244 127.244 123.251 3.993 17827
5381 1 11 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.248 -0.498 17827
5382 1 11 . 1 1 78 78 TRP C C 71 177.303 177.303 176.131 1.172 17827
5383 1 11 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.978 1.262 17827
5384 1 11 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.442 0.058 17827
5385 1 11 . 1 1 78 78 TRP H H 71 8.795 8.795 7.212 1.583 17827
5386 1 11 . 1 1 79 79 LEU N N 72 125.202 125.202 122.302 2.900 17827
5387 1 11 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.681 -0.181 17827
5388 1 11 . 1 1 79 79 LEU C C 72 175.667 175.667 176.491 -0.824 17827
5389 1 11 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.235 -1.725 17827
5390 1 11 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.970 -2.730 17827
5391 1 11 . 1 1 79 79 LEU H H 72 9.175 9.175 8.083 1.092 17827
5392 1 11 . 1 1 80 80 LEU N N 73 119.170 119.170 123.071 -3.901 17827
5393 1 11 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.551 -0.171 17827
5394 1 11 . 1 1 80 80 LEU C C 73 178.139 178.139 176.791 1.348 17827
5395 1 11 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.294 -0.593 17827
5396 1 11 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.992 -0.822 17827
5397 1 11 . 1 1 80 80 LEU H H 73 7.280 7.280 8.420 -1.140 17827
5398 1 11 . 1 1 81 81 LYS N N 74 119.766 119.766 118.054 1.712 17827
5399 1 11 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.402 0.033 17827
5400 1 11 . 1 1 81 81 LYS C C 74 176.601 176.601 176.979 -0.378 17827
5401 1 11 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.423 -1.763 17827
5402 1 11 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.619 -5.079 17827
5403 1 11 . 1 1 81 81 LYS H H 74 7.865 7.865 7.703 0.162 17827
5404 1 11 . 1 1 82 82 THR N N 75 115.636 115.636 115.700 -0.064 17827
5405 1 11 . 1 1 82 82 THR HA H 75 3.800 3.800 4.313 -0.513 17827
5406 1 11 . 1 1 82 82 THR C C 75 174.806 174.806 175.378 -0.572 17827
5407 1 11 . 1 1 82 82 THR CA C 75 64.650 64.650 65.224 -0.574 17827
5408 1 11 . 1 1 82 82 THR CB C 75 68.260 68.260 68.795 -0.535 17827
5409 1 11 . 1 1 82 82 THR H H 75 7.910 7.910 8.755 -0.845 17827
5410 1 11 . 1 1 83 83 HIS N N 76 116.767 116.767 120.331 -3.564 17827
5411 1 11 . 1 1 83 83 HIS C C 76 176.370 176.370 175.010 1.360 17827
5412 1 11 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.357 0.853 17827
5413 1 11 . 1 1 83 83 HIS H H 76 8.965 8.965 8.619 0.346 17827
5414 1 11 . 1 1 84 84 TRP N N 77 123.905 123.905 119.060 4.845 17827
5415 1 11 . 1 1 84 84 TRP C C 77 175.584 175.584 175.438 0.146 17827
5416 1 11 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.783 1.607 17827
5417 1 11 . 1 1 84 84 TRP H H 77 7.635 7.635 7.441 0.194 17827
5418 1 11 . 1 1 85 85 THR N N 78 108.440 108.440 116.193 -7.753 17827
5419 1 11 . 1 1 85 85 THR HA H 78 4.900 4.900 4.198 0.702 17827
5420 1 11 . 1 1 85 85 THR C C 78 175.691 175.691 175.932 -0.241 17827
5421 1 11 . 1 1 85 85 THR CA C 78 59.500 59.500 63.269 -3.769 17827
5422 1 11 . 1 1 85 85 THR CB C 78 70.600 70.600 69.475 1.125 17827
5423 1 11 . 1 1 85 85 THR H H 78 7.030 7.030 7.654 -0.624 17827
5424 1 11 . 1 1 86 86 LEU N N 79 119.766 119.766 120.803 -1.037 17827
5425 1 11 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.165 -0.125 17827
5426 1 11 . 1 1 86 86 LEU C C 79 179.734 179.734 179.388 0.346 17827
5427 1 11 . 1 1 86 86 LEU CA C 79 58.750 58.750 57.966 0.784 17827
5428 1 11 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.209 0.242 17827
5429 1 11 . 1 1 86 86 LEU H H 79 8.045 8.045 8.835 -0.790 17827
5430 1 11 . 1 1 87 87 ASP N N 80 118.407 118.407 118.864 -0.457 17827
5431 1 11 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.367 0.073 17827
5432 1 11 . 1 1 87 87 ASP C C 80 179.152 179.152 178.169 0.983 17827
5433 1 11 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.009 0.311 17827
5434 1 11 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.595 -0.275 17827
5435 1 11 . 1 1 87 87 ASP H H 80 8.935 8.935 8.819 0.116 17827
5436 1 11 . 1 1 88 88 LYS N N 81 123.300 123.300 118.646 4.654 17827
5437 1 11 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.825 -0.125 17827
5438 1 11 . 1 1 88 88 LYS C C 81 178.721 178.721 177.995 0.726 17827
5439 1 11 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.925 0.095 17827
5440 1 11 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.882 -0.242 17827
5441 1 11 . 1 1 88 88 LYS H H 81 8.055 8.055 8.121 -0.066 17827
5442 1 11 . 1 1 89 89 TYR N N 82 115.690 115.690 117.205 -1.515 17827
5443 1 11 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.612 -0.032 17827
5444 1 11 . 1 1 89 89 TYR C C 82 176.164 176.164 175.824 0.340 17827
5445 1 11 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.400 2.350 17827
5446 1 11 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.274 1.476 17827
5447 1 11 . 1 1 89 89 TYR H H 82 7.730 7.730 7.675 0.055 17827
5448 1 11 . 1 1 90 90 GLY N N 83 108.212 108.212 106.933 1.279 17827
5449 1 11 . 1 1 90 90 GLY C C 83 174.555 174.555 174.468 0.087 17827
5450 1 11 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.932 0.578 17827
5451 1 11 . 1 1 90 90 GLY H H 83 8.030 8.030 7.478 0.552 17827
5452 1 11 . 1 1 91 91 ILE N N 84 122.960 122.960 120.275 2.685 17827
5453 1 11 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.236 -0.866 17827
5454 1 11 . 1 1 91 91 ILE C C 84 173.611 173.611 175.117 -1.506 17827
5455 1 11 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.044 0.656 17827
5456 1 11 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.351 -1.741 17827
5457 1 11 . 1 1 91 91 ILE H H 84 7.850 7.850 7.917 -0.067 17827
5458 1 11 . 1 1 92 92 GLN N N 85 125.429 125.429 123.707 1.722 17827
5459 1 11 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.912 -0.032 17827
5460 1 11 . 1 1 92 92 GLN C C 85 174.756 174.756 175.085 -0.329 17827
5461 1 11 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.841 -1.121 17827
5462 1 11 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.769 0.381 17827
5463 1 11 . 1 1 92 92 GLN H H 85 7.700 7.700 8.158 -0.458 17827
5464 1 11 . 1 1 93 93 ALA N N 86 118.217 118.217 120.896 -2.679 17827
5465 1 11 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.287 -0.487 17827
5466 1 11 . 1 1 93 93 ALA C C 86 177.201 177.201 177.353 -0.152 17827
5467 1 11 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.193 0.887 17827
5468 1 11 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.746 -0.336 17827
5469 1 11 . 1 1 93 93 ALA H H 86 6.886 6.886 8.097 -1.211 17827
5470 1 11 . 1 1 94 94 ASP N N 87 113.647 113.647 117.522 -3.875 17827
5471 1 11 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.527 -0.107 17827
5472 1 11 . 1 1 94 94 ASP C C 87 176.218 176.218 175.224 0.994 17827
5473 1 11 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.858 0.202 17827
5474 1 11 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.010 -1.410 17827
5475 1 11 . 1 1 94 94 ASP H H 87 8.223 8.223 8.006 0.217 17827
5476 1 11 . 1 1 95 95 ALA N N 88 124.145 124.145 122.929 1.216 17827
5477 1 11 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.559 -0.253 17827
5478 1 11 . 1 1 95 95 ALA C C 88 176.630 176.630 176.197 0.433 17827
5479 1 11 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.576 1.744 17827
5480 1 11 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.555 0.465 17827
5481 1 11 . 1 1 95 95 ALA H H 88 7.941 7.941 7.108 0.833 17827
5482 1 11 . 1 1 96 96 LYS N N 89 120.897 120.897 126.359 -5.462 17827
5483 1 11 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.812 0.014 17827
5484 1 11 . 1 1 96 96 LYS C C 89 176.161 176.161 176.182 -0.021 17827
5485 1 11 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.100 -0.364 17827
5486 1 11 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.355 0.035 17827
5487 1 11 . 1 1 96 96 LYS H H 89 8.500 8.500 8.589 -0.089 17827
5488 1 11 . 1 1 97 97 LEU N N 90 122.960 122.960 124.140 -1.180 17827
5489 1 11 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.430 0.645 17827
5490 1 11 . 1 1 97 97 LEU C C 90 176.394 176.394 177.264 -0.870 17827
5491 1 11 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.639 -1.579 17827
5492 1 11 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.974 1.876 17827
5493 1 11 . 1 1 97 97 LEU H H 90 8.566 8.566 8.864 -0.298 17827
5494 1 11 . 1 1 98 98 GLN N N 91 119.538 119.538 116.033 3.505 17827
5495 1 11 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.912 0.798 17827
5496 1 11 . 1 1 98 98 GLN C C 91 174.144 174.144 174.666 -0.522 17827
5497 1 11 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.750 -0.390 17827
5498 1 11 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.955 -0.665 17827
5499 1 11 . 1 1 98 98 GLN H H 91 9.060 9.060 8.138 0.922 17827
5500 1 11 . 1 1 99 99 PHE N N 92 125.674 125.674 120.475 5.199 17827
5501 1 11 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.338 0.362 17827
5502 1 11 . 1 1 99 99 PHE C C 92 174.537 174.537 174.093 0.444 17827
5503 1 11 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.584 -2.394 17827
5504 1 11 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.680 -2.600 17827
5505 1 11 . 1 1 99 99 PHE H H 92 9.290 9.290 9.718 -0.428 17827
5506 1 11 . 1 1 100 100 THR N N 93 124.543 124.543 117.848 6.695 17827
5507 1 11 . 1 1 100 100 THR HA H 93 5.100 5.100 4.908 0.192 17827
5508 1 11 . 1 1 100 100 THR C C 93 180.164 180.164 171.741 8.423 17827
5509 1 11 . 1 1 100 100 THR CA C 93 58.830 58.830 58.851 -0.021 17827
5510 1 11 . 1 1 100 100 THR CB C 93 73.610 73.610 71.119 2.491 17827
5511 1 11 . 1 1 100 100 THR H H 93 8.945 8.945 8.649 0.296 17827
5512 1 12 . 1 1 9 9 ALA N N 2 124.336 124.336 122.488 1.848 17827
5513 1 12 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.121 0.089 17827
5514 1 12 . 1 1 9 9 ALA C C 2 177.598 177.598 176.810 0.788 17827
5515 1 12 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.956 0.484 17827
5516 1 12 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.098 0.932 17827
5517 1 12 . 1 1 9 9 ALA H H 2 8.018 8.018 8.245 -0.227 17827
5518 1 12 . 1 1 10 10 LEU N N 3 121.125 121.125 120.470 0.655 17827
5519 1 12 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.999 0.211 17827
5520 1 12 . 1 1 10 10 LEU C C 3 177.094 177.094 177.874 -0.780 17827
5521 1 12 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.579 -1.259 17827
5522 1 12 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.976 0.194 17827
5523 1 12 . 1 1 10 10 LEU H H 3 8.057 8.057 8.325 -0.268 17827
5524 1 12 . 1 1 11 11 ASP N N 4 119.766 119.766 117.173 2.593 17827
5525 1 12 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.585 -0.110 17827
5526 1 12 . 1 1 11 11 ASP C C 4 176.509 176.509 177.118 -0.609 17827
5527 1 12 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.911 -0.361 17827
5528 1 12 . 1 1 11 11 ASP CB C 4 40.950 40.950 42.107 -1.157 17827
5529 1 12 . 1 1 11 11 ASP H H 4 8.145 8.145 8.154 -0.009 17827
5530 1 12 . 1 1 12 12 GLY N N 5 108.440 108.440 106.600 1.840 17827
5531 1 12 . 1 1 12 12 GLY C C 5 173.692 173.692 173.926 -0.234 17827
5532 1 12 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.512 -0.202 17827
5533 1 12 . 1 1 12 12 GLY H H 5 8.110 8.110 8.450 -0.340 17827
5534 1 12 . 1 1 13 13 ILE N N 6 119.766 119.766 121.339 -1.573 17827
5535 1 12 . 1 1 13 13 ILE HA H 6 4.100 4.100 4.538 -0.438 17827
5536 1 12 . 1 1 13 13 ILE C C 6 175.525 175.525 175.300 0.225 17827
5537 1 12 . 1 1 13 13 ILE CA C 6 60.710 60.710 59.937 0.773 17827
5538 1 12 . 1 1 13 13 ILE CB C 6 38.430 38.430 39.407 -0.977 17827
5539 1 12 . 1 1 13 13 ILE H H 6 7.790 7.790 7.609 0.181 17827
5540 1 12 . 1 1 14 14 ARG N N 7 125.657 125.657 118.040 7.617 17827
5541 1 12 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.331 -0.121 17827
5542 1 12 . 1 1 14 14 ARG C C 7 175.810 175.810 175.173 0.637 17827
5543 1 12 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.505 -0.865 17827
5544 1 12 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.992 -1.002 17827
5545 1 12 . 1 1 14 14 ARG H H 7 8.410 8.410 8.394 0.016 17827
5546 1 12 . 1 1 15 15 MET N N 8 123.598 123.598 117.454 6.144 17827
5547 1 12 . 1 1 15 15 MET HA H 8 4.210 4.210 4.926 -0.716 17827
5548 1 12 . 1 1 15 15 MET C C 8 174.950 174.950 174.851 0.099 17827
5549 1 12 . 1 1 15 15 MET CA C 8 55.330 55.330 53.998 1.332 17827
5550 1 12 . 1 1 15 15 MET CB C 8 31.730 31.730 31.863 -0.133 17827
5551 1 12 . 1 1 15 15 MET H H 8 8.495 8.495 7.566 0.929 17827
5552 1 12 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.413 -0.123 17827
5553 1 12 . 1 1 16 16 PRO C C 9 176.228 176.228 175.945 0.283 17827
5554 1 12 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.350 -0.981 17827
5555 1 12 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.180 1.639 17827
5556 1 12 . 1 1 17 17 ASP N N 10 117.952 117.952 116.481 1.471 17827
5557 1 12 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.719 -0.299 17827
5558 1 12 . 1 1 17 17 ASP C C 10 176.714 176.714 176.163 0.551 17827
5559 1 12 . 1 1 17 17 ASP CA C 10 54.130 54.130 52.923 1.207 17827
5560 1 12 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.700 -1.270 17827
5561 1 12 . 1 1 17 17 ASP H H 10 8.076 8.076 8.324 -0.248 17827
5562 1 12 . 1 1 18 18 GLY N N 11 108.663 108.663 106.193 2.470 17827
5563 1 12 . 1 1 18 18 GLY C C 11 173.819 173.819 174.671 -0.852 17827
5564 1 12 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.807 -0.507 17827
5565 1 12 . 1 1 18 18 GLY H H 11 8.255 8.255 7.748 0.507 17827
5566 1 12 . 1 1 19 19 CYS N N 12 118.179 118.179 121.035 -2.856 17827
5567 1 12 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827
5568 1 12 . 1 1 19 19 CYS C C 12 174.073 174.073 175.012 -0.939 17827
5569 1 12 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.779 -2.359 17827
5570 1 12 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.075 1.325 17827
5571 1 12 . 1 1 19 19 CYS H H 12 7.850 7.850 8.415 -0.565 17827
5572 1 12 . 1 1 20 20 TYR N N 13 120.897 120.897 120.061 0.836 17827
5573 1 12 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.421 0.129 17827
5574 1 12 . 1 1 20 20 TYR C C 13 176.748 176.748 175.972 0.776 17827
5575 1 12 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.774 -0.304 17827
5576 1 12 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.009 0.201 17827
5577 1 12 . 1 1 20 20 TYR H H 13 8.550 8.550 7.930 0.620 17827
5578 1 12 . 1 1 21 21 ALA N N 14 124.750 124.750 122.933 1.817 17827
5579 1 12 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.189 0.001 17827
5580 1 12 . 1 1 21 21 ALA C C 14 177.181 177.181 178.161 -0.980 17827
5581 1 12 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.423 0.107 17827
5582 1 12 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.508 -0.878 17827
5583 1 12 . 1 1 21 21 ALA H H 14 8.615 8.615 8.571 0.044 17827
5584 1 12 . 1 1 22 22 ASP N N 15 117.500 117.500 118.788 -1.288 17827
5585 1 12 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.617 -0.137 17827
5586 1 12 . 1 1 22 22 ASP C C 15 176.708 176.708 177.846 -1.138 17827
5587 1 12 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.787 -1.287 17827
5588 1 12 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.190 -0.460 17827
5589 1 12 . 1 1 22 22 ASP H H 15 7.960 7.960 8.502 -0.542 17827
5590 1 12 . 1 1 23 23 GLY N N 16 108.891 108.891 108.241 0.650 17827
5591 1 12 . 1 1 23 23 GLY C C 16 174.373 174.373 173.652 0.721 17827
5592 1 12 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.248 -0.878 17827
5593 1 12 . 1 1 23 23 GLY H H 16 8.344 8.344 8.499 -0.155 17827
5594 1 12 . 1 1 24 24 THR N N 17 110.929 110.929 107.871 3.058 17827
5595 1 12 . 1 1 24 24 THR HA H 17 4.640 4.640 4.556 0.084 17827
5596 1 12 . 1 1 24 24 THR C C 17 173.620 173.620 172.995 0.625 17827
5597 1 12 . 1 1 24 24 THR CA C 17 60.540 60.540 60.105 0.435 17827
5598 1 12 . 1 1 24 24 THR CB C 17 72.100 72.100 71.058 1.042 17827
5599 1 12 . 1 1 24 24 THR H H 17 7.850 7.850 7.254 0.596 17827
5600 1 12 . 1 1 25 25 TRP N N 18 117.728 117.728 118.058 -0.330 17827
5601 1 12 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.977 -0.032 17827
5602 1 12 . 1 1 25 25 TRP C C 18 174.164 174.164 174.154 0.010 17827
5603 1 12 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.180 -1.560 17827
5604 1 12 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.352 0.298 17827
5605 1 12 . 1 1 25 25 TRP H H 18 8.640 8.640 7.435 1.205 17827
5606 1 12 . 1 1 26 26 GLU N N 19 117.728 117.728 118.124 -0.396 17827
5607 1 12 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.746 0.105 17827
5608 1 12 . 1 1 26 26 GLU C C 19 174.786 174.786 174.578 0.208 17827
5609 1 12 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.781 0.929 17827
5610 1 12 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.332 -0.832 17827
5611 1 12 . 1 1 26 26 GLU H H 19 8.744 8.744 8.462 0.282 17827
5612 1 12 . 1 1 27 27 LEU N N 20 126.668 126.668 119.313 7.355 17827
5613 1 12 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.725 0.155 17827
5614 1 12 . 1 1 27 27 LEU C C 20 175.123 175.123 175.224 -0.101 17827
5615 1 12 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.560 -0.308 17827
5616 1 12 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.773 -1.493 17827
5617 1 12 . 1 1 27 27 LEU H H 20 8.980 8.980 8.789 0.191 17827
5618 1 12 . 1 1 28 28 SER N N 21 121.804 121.804 116.767 5.037 17827
5619 1 12 . 1 1 28 28 SER HA H 21 4.894 4.894 4.750 0.144 17827
5620 1 12 . 1 1 28 28 SER C C 21 173.483 173.483 172.738 0.745 17827
5621 1 12 . 1 1 28 28 SER CA C 21 57.880 57.880 56.791 1.089 17827
5622 1 12 . 1 1 28 28 SER CB C 21 63.920 63.920 64.653 -0.733 17827
5623 1 12 . 1 1 28 28 SER H H 21 8.785 8.785 8.327 0.458 17827
5624 1 12 . 1 1 29 29 VAL N N 22 125.881 125.881 123.681 2.200 17827
5625 1 12 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.387 -0.017 17827
5626 1 12 . 1 1 29 29 VAL C C 22 173.953 173.953 175.005 -1.052 17827
5627 1 12 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.474 -0.034 17827
5628 1 12 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.303 -1.953 17827
5629 1 12 . 1 1 29 29 VAL H H 22 8.865 8.865 8.338 0.527 17827
5630 1 12 . 1 1 30 30 HIS N N 23 126.560 126.560 123.048 3.512 17827
5631 1 12 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.794 0.426 17827
5632 1 12 . 1 1 30 30 HIS C C 23 174.596 174.596 174.469 0.127 17827
5633 1 12 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.254 -0.004 17827
5634 1 12 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.550 -2.000 17827
5635 1 12 . 1 1 30 30 HIS H H 23 8.810 8.810 8.434 0.376 17827
5636 1 12 . 1 1 31 31 VAL N N 24 130.587 130.587 128.153 2.434 17827
5637 1 12 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.447 0.783 17827
5638 1 12 . 1 1 31 31 VAL C C 24 177.426 177.426 175.465 1.961 17827
5639 1 12 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.139 -6.609 17827
5640 1 12 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.206 -0.166 17827
5641 1 12 . 1 1 31 31 VAL H H 24 9.043 9.043 8.800 0.243 17827
5642 1 12 . 1 1 32 32 THR N N 25 122.484 122.484 119.777 2.707 17827
5643 1 12 . 1 1 32 32 THR HA H 25 3.970 3.970 4.486 -0.516 17827
5644 1 12 . 1 1 32 32 THR C C 25 177.437 177.437 175.459 1.978 17827
5645 1 12 . 1 1 32 32 THR CA C 25 66.470 66.470 61.784 4.686 17827
5646 1 12 . 1 1 32 32 THR CB C 25 68.220 68.220 70.096 -1.876 17827
5647 1 12 . 1 1 32 32 THR H H 25 8.245 8.245 8.579 -0.334 17827
5648 1 12 . 1 1 34 34 VAL N N 27 114.090 114.090 116.971 -2.881 17827
5649 1 12 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.159 0.341 17827
5650 1 12 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.884 -8.664 17827
5651 1 12 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.653 -6.593 17827
5652 1 12 . 1 1 34 34 VAL H H 27 6.977 6.977 7.340 -0.363 17827
5653 1 12 . 1 1 35 35 ASN N N 28 116.829 116.829 116.720 0.109 17827
5654 1 12 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.498 -0.199 17827
5655 1 12 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.313 -0.663 17827
5656 1 12 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.204 -1.094 17827
5657 1 12 . 1 1 35 35 ASN H H 28 7.897 7.897 8.516 -0.619 17827
5658 1 12 . 1 1 36 36 ARG N N 29 114.310 114.310 116.885 -2.575 17827
5659 1 12 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.732 -0.032 17827
5660 1 12 . 1 1 36 36 ARG C C 29 173.347 173.347 174.073 -0.726 17827
5661 1 12 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.813 0.087 17827
5662 1 12 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.402 2.298 17827
5663 1 12 . 1 1 36 36 ARG H H 29 6.787 6.787 7.692 -0.905 17827
5664 1 12 . 1 1 37 37 ASP N N 30 124.071 124.071 117.566 6.505 17827
5665 1 12 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.776 0.699 17827
5666 1 12 . 1 1 37 37 ASP C C 30 175.354 175.354 174.651 0.703 17827
5667 1 12 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.374 0.286 17827
5668 1 12 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.505 -0.245 17827
5669 1 12 . 1 1 37 37 ASP H H 30 8.760 8.760 8.441 0.320 17827
5670 1 12 . 1 1 38 38 VAL N N 31 123.300 123.300 118.307 4.993 17827
5671 1 12 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.563 -0.293 17827
5672 1 12 . 1 1 38 38 VAL C C 31 174.203 174.203 174.261 -0.058 17827
5673 1 12 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.335 0.365 17827
5674 1 12 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.242 -1.622 17827
5675 1 12 . 1 1 38 38 VAL H H 31 9.187 9.187 7.960 1.227 17827
5676 1 12 . 1 1 39 39 THR N N 32 119.766 119.766 113.509 6.257 17827
5677 1 12 . 1 1 39 39 THR HA H 32 5.095 5.095 4.827 0.268 17827
5678 1 12 . 1 1 39 39 THR C C 32 173.547 173.547 173.111 0.436 17827
5679 1 12 . 1 1 39 39 THR CA C 32 60.550 60.550 60.005 0.545 17827
5680 1 12 . 1 1 39 39 THR CB C 32 70.170 70.170 71.022 -0.852 17827
5681 1 12 . 1 1 39 39 THR H H 32 8.360 8.360 8.111 0.249 17827
5682 1 12 . 1 1 40 40 LEU N N 33 124.522 124.522 122.670 1.852 17827
5683 1 12 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.626 -0.036 17827
5684 1 12 . 1 1 40 40 LEU C C 33 174.691 174.691 175.802 -1.111 17827
5685 1 12 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.720 -1.140 17827
5686 1 12 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.329 1.081 17827
5687 1 12 . 1 1 40 40 LEU H H 33 8.750 8.750 8.148 0.602 17827
5688 1 12 . 1 1 41 41 ARG N N 34 122.712 122.712 124.426 -1.714 17827
5689 1 12 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.663 0.017 17827
5690 1 12 . 1 1 41 41 ARG C C 34 175.700 175.700 174.398 1.302 17827
5691 1 12 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.365 0.055 17827
5692 1 12 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.669 -0.169 17827
5693 1 12 . 1 1 41 41 ARG H H 34 8.345 8.345 8.708 -0.363 17827
5694 1 12 . 1 1 42 42 VAL N N 35 117.728 117.728 117.881 -0.153 17827
5695 1 12 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.392 0.073 17827
5696 1 12 . 1 1 42 42 VAL C C 35 173.184 173.184 173.520 -0.336 17827
5697 1 12 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.499 -0.829 17827
5698 1 12 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.333 0.717 17827
5699 1 12 . 1 1 42 42 VAL H H 35 8.640 8.640 7.819 0.821 17827
5700 1 12 . 1 1 43 43 THR N N 36 104.359 104.359 109.237 -4.878 17827
5701 1 12 . 1 1 43 43 THR HA H 36 4.660 4.660 2.262 2.398 17827
5702 1 12 . 1 1 43 43 THR C C 36 174.862 174.862 175.294 -0.432 17827
5703 1 12 . 1 1 43 43 THR CA C 36 59.010 59.010 59.431 -0.421 17827
5704 1 12 . 1 1 43 43 THR CB C 36 71.570 71.570 71.534 0.036 17827
5705 1 12 . 1 1 43 43 THR H H 36 6.220 6.220 7.716 -1.496 17827
5706 1 12 . 1 1 44 44 GLY N N 37 105.946 105.946 108.401 -2.455 17827
5707 1 12 . 1 1 44 44 GLY C C 37 173.394 173.394 174.631 -1.237 17827
5708 1 12 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.954 -0.124 17827
5709 1 12 . 1 1 44 44 GLY H H 37 9.160 9.160 8.701 0.459 17827
5710 1 12 . 1 1 45 45 GLU N N 38 113.875 113.875 117.501 -3.626 17827
5711 1 12 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.242 0.048 17827
5712 1 12 . 1 1 45 45 GLU C C 38 176.167 176.167 176.652 -0.485 17827
5713 1 12 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.182 -0.682 17827
5714 1 12 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.693 1.257 17827
5715 1 12 . 1 1 45 45 GLU H H 38 7.500 7.500 7.293 0.207 17827
5716 1 12 . 1 1 46 46 VAL N N 39 121.577 121.577 122.132 -0.555 17827
5717 1 12 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.894 -0.074 17827
5718 1 12 . 1 1 46 46 VAL C C 39 174.651 174.651 175.041 -0.390 17827
5719 1 12 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.212 1.708 17827
5720 1 12 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.942 -1.352 17827
5721 1 12 . 1 1 46 46 VAL H H 39 7.260 7.260 7.690 -0.430 17827
5722 1 12 . 1 1 47 47 HIS N N 40 123.391 123.391 126.460 -3.069 17827
5723 1 12 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.684 0.528 17827
5724 1 12 . 1 1 47 47 HIS C C 40 177.440 177.440 176.320 1.120 17827
5725 1 12 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.641 -0.981 17827
5726 1 12 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.947 -0.037 17827
5727 1 12 . 1 1 47 47 HIS H H 40 8.285 8.285 8.384 -0.099 17827
5728 1 12 . 1 1 48 48 ILE N N 41 124.071 124.071 124.186 -0.115 17827
5729 1 12 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.803 -0.273 17827
5730 1 12 . 1 1 48 48 ILE C C 41 178.941 178.941 177.557 1.384 17827
5731 1 12 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.531 -3.201 17827
5732 1 12 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.901 -3.671 17827
5733 1 12 . 1 1 48 48 ILE H H 41 8.863 8.863 8.427 0.436 17827
5734 1 12 . 1 1 49 49 GLY N N 42 106.853 106.853 104.301 2.552 17827
5735 1 12 . 1 1 49 49 GLY C C 42 175.669 175.669 175.230 0.439 17827
5736 1 12 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.110 -0.790 17827
5737 1 12 . 1 1 49 49 GLY H H 42 9.720 9.720 8.726 0.994 17827
5738 1 12 . 1 1 50 50 GLY N N 43 109.571 109.571 108.836 0.735 17827
5739 1 12 . 1 1 50 50 GLY C C 43 175.847 175.847 175.596 0.251 17827
5740 1 12 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.592 1.408 17827
5741 1 12 . 1 1 50 50 GLY H H 43 6.950 6.950 8.216 -1.266 17827
5742 1 12 . 1 1 51 51 VAL N N 44 123.163 123.163 124.894 -1.731 17827
5743 1 12 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.600 -0.485 17827
5744 1 12 . 1 1 51 51 VAL C C 44 176.804 176.804 177.960 -1.156 17827
5745 1 12 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.073 -0.413 17827
5746 1 12 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.632 -0.902 17827
5747 1 12 . 1 1 51 51 VAL H H 44 7.860 7.860 8.682 -0.822 17827
5748 1 12 . 1 1 52 52 MET N N 45 115.913 115.913 116.924 -1.011 17827
5749 1 12 . 1 1 52 52 MET HA H 45 3.410 3.410 3.979 -0.569 17827
5750 1 12 . 1 1 52 52 MET C C 45 176.881 176.881 178.506 -1.625 17827
5751 1 12 . 1 1 52 52 MET CA C 45 59.830 59.830 59.563 0.267 17827
5752 1 12 . 1 1 52 52 MET CB C 45 32.310 32.310 31.894 0.416 17827
5753 1 12 . 1 1 52 52 MET H H 45 7.940 7.940 7.695 0.245 17827
5754 1 12 . 1 1 53 53 LEU N N 46 118.291 118.291 121.703 -3.412 17827
5755 1 12 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.126 -0.186 17827
5756 1 12 . 1 1 53 53 LEU C C 46 179.178 179.178 179.240 -0.062 17827
5757 1 12 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.161 0.339 17827
5758 1 12 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.220 0.710 17827
5759 1 12 . 1 1 53 53 LEU H H 46 7.550 7.550 7.743 -0.193 17827
5760 1 12 . 1 1 54 54 LYS N N 47 118.142 118.142 119.258 -1.116 17827
5761 1 12 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.039 -0.169 17827
5762 1 12 . 1 1 54 54 LYS C C 47 178.616 178.616 179.374 -0.758 17827
5763 1 12 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.240 -1.260 17827
5764 1 12 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.059 0.261 17827
5765 1 12 . 1 1 54 54 LYS H H 47 7.665 7.665 8.669 -1.004 17827
5766 1 12 . 1 1 55 55 LEU N N 48 119.385 119.385 120.259 -0.874 17827
5767 1 12 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.293 -0.723 17827
5768 1 12 . 1 1 55 55 LEU C C 48 177.405 177.405 177.943 -0.538 17827
5769 1 12 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.785 0.005 17827
5770 1 12 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.843 -0.253 17827
5771 1 12 . 1 1 55 55 LEU H H 48 7.975 7.975 7.934 0.041 17827
5772 1 12 . 1 1 56 56 VAL N N 49 116.141 116.141 120.512 -4.371 17827
5773 1 12 . 1 1 56 56 VAL HA H 49 2.990 2.990 4.172 -1.182 17827
5774 1 12 . 1 1 56 56 VAL C C 49 178.564 178.564 178.273 0.291 17827
5775 1 12 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.288 0.022 17827
5776 1 12 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.736 -0.436 17827
5777 1 12 . 1 1 56 56 VAL H H 49 7.615 7.615 8.941 -1.326 17827
5778 1 12 . 1 1 57 57 GLU N N 50 118.631 118.631 117.619 1.012 17827
5779 1 12 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.127 -0.162 17827
5780 1 12 . 1 1 57 57 GLU C C 50 178.030 178.030 178.862 -0.832 17827
5781 1 12 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.816 -0.316 17827
5782 1 12 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.547 0.063 17827
5783 1 12 . 1 1 57 57 GLU H H 50 7.575 7.575 8.823 -1.248 17827
5784 1 12 . 1 1 58 58 LYS N N 51 117.053 117.053 118.385 -1.332 17827
5785 1 12 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.157 -0.027 17827
5786 1 12 . 1 1 58 58 LYS C C 51 176.956 176.956 176.815 0.141 17827
5787 1 12 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.778 -2.118 17827
5788 1 12 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.557 -0.897 17827
5789 1 12 . 1 1 58 58 LYS H H 51 7.490 7.490 7.587 -0.097 17827
5790 1 12 . 1 1 59 59 LEU N N 52 119.460 119.460 113.577 5.883 17827
5791 1 12 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.713 -0.591 17827
5792 1 12 . 1 1 59 59 LEU C C 52 176.645 176.645 175.377 1.268 17827
5793 1 12 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.138 1.522 17827
5794 1 12 . 1 1 59 59 LEU CB C 52 42.700 42.700 44.598 -1.898 17827
5795 1 12 . 1 1 59 59 LEU H H 52 7.470 7.470 8.144 -0.674 17827
5796 1 12 . 1 1 62 62 LYS C C 55 175.670 175.670 175.546 0.124 17827
5797 1 12 . 1 1 63 63 LYS N N 56 122.430 122.430 118.655 3.775 17827
5798 1 12 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.054 -0.024 17827
5799 1 12 . 1 1 63 63 LYS C C 56 172.850 172.850 175.667 -2.817 17827
5800 1 12 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.928 -1.398 17827
5801 1 12 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.229 1.211 17827
5802 1 12 . 1 1 63 63 LYS H H 56 7.245 7.245 7.690 -0.445 17827
5803 1 12 . 1 1 64 64 ASP N N 57 118.867 118.867 120.944 -2.077 17827
5804 1 12 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.921 0.609 17827
5805 1 12 . 1 1 64 64 ASP C C 57 176.710 176.710 175.074 1.636 17827
5806 1 12 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.814 -2.314 17827
5807 1 12 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.000 -0.680 17827
5808 1 12 . 1 1 64 64 ASP H H 57 7.867 7.867 7.961 -0.094 17827
5809 1 12 . 1 1 65 65 TRP N N 58 128.827 128.827 120.753 8.074 17827
5810 1 12 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.661 -0.121 17827
5811 1 12 . 1 1 65 65 TRP C C 58 178.390 178.390 177.145 1.245 17827
5812 1 12 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.272 -5.412 17827
5813 1 12 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.117 0.302 17827
5814 1 12 . 1 1 65 65 TRP H H 58 8.790 8.790 8.024 0.766 17827
5815 1 12 . 1 1 66 66 SER N N 59 117.724 117.724 115.037 2.687 17827
5816 1 12 . 1 1 66 66 SER HA H 59 4.143 4.143 4.563 -0.420 17827
5817 1 12 . 1 1 66 66 SER C C 59 174.471 174.471 175.283 -0.812 17827
5818 1 12 . 1 1 66 66 SER CA C 59 62.350 62.350 59.206 3.144 17827
5819 1 12 . 1 1 66 66 SER CB C 59 63.110 63.110 62.956 0.153 17827
5820 1 12 . 1 1 66 66 SER H H 59 8.637 8.637 8.194 0.443 17827
5821 1 12 . 1 1 67 67 ASP N N 60 121.042 121.042 119.965 1.077 17827
5822 1 12 . 1 1 67 67 ASP C C 60 176.206 176.206 176.424 -0.218 17827
5823 1 12 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.838 1.722 17827
5824 1 12 . 1 1 67 67 ASP H H 60 8.895 8.895 8.156 0.739 17827
5825 1 12 . 1 1 68 68 HIS N N 61 121.519 121.519 115.872 5.647 17827
5826 1 12 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.566 -0.076 17827
5827 1 12 . 1 1 68 68 HIS C C 61 174.546 174.546 173.779 0.767 17827
5828 1 12 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.436 2.504 17827
5829 1 12 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.811 8.600 17827
5830 1 12 . 1 1 68 68 HIS H H 61 7.958 7.958 7.322 0.636 17827
5831 1 12 . 1 1 69 69 ALA N N 62 122.256 122.256 119.991 2.265 17827
5832 1 12 . 1 1 69 69 ALA C C 62 175.294 175.294 175.482 -0.188 17827
5833 1 12 . 1 1 69 69 ALA CB C 62 22.470 22.470 23.050 -0.580 17827
5834 1 12 . 1 1 69 69 ALA H H 62 8.575 8.575 8.280 0.295 17827
5835 1 12 . 1 1 70 70 LEU N N 63 118.904 118.904 120.439 -1.535 17827
5836 1 12 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.003 0.651 17827
5837 1 12 . 1 1 70 70 LEU C C 63 174.445 174.445 176.578 -2.133 17827
5838 1 12 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.167 0.763 17827
5839 1 12 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.752 2.548 17827
5840 1 12 . 1 1 70 70 LEU H H 63 9.150 9.150 8.907 0.243 17827
5841 1 12 . 1 1 71 71 TRP N N 64 125.367 125.367 127.098 -1.731 17827
5842 1 12 . 1 1 71 71 TRP C C 64 174.010 174.010 175.397 -1.387 17827
5843 1 12 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.633 1.577 17827
5844 1 12 . 1 1 71 71 TRP H H 64 9.590 9.590 8.469 1.121 17827
5845 1 12 . 1 1 72 72 TRP N N 65 129.982 129.982 128.669 1.313 17827
5846 1 12 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.703 0.277 17827
5847 1 12 . 1 1 72 72 TRP C C 65 174.335 174.335 176.059 -1.724 17827
5848 1 12 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.842 -2.402 17827
5849 1 12 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.355 0.135 17827
5850 1 12 . 1 1 72 72 TRP H H 65 8.277 8.277 8.430 -0.153 17827
5851 1 12 . 1 1 73 73 GLU N N 66 129.112 129.112 127.602 1.510 17827
5852 1 12 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.728 -0.428 17827
5853 1 12 . 1 1 73 73 GLU C C 66 178.595 178.595 176.934 1.661 17827
5854 1 12 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.354 1.566 17827
5855 1 12 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.123 -0.063 17827
5856 1 12 . 1 1 73 73 GLU H H 66 8.969 8.969 8.529 0.440 17827
5857 1 12 . 1 1 74 74 LYS N N 67 117.492 117.492 119.359 -1.867 17827
5858 1 12 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.746 -0.044 17827
5859 1 12 . 1 1 74 74 LYS C C 67 176.361 176.361 176.703 -0.342 17827
5860 1 12 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.130 0.530 17827
5861 1 12 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.605 0.415 17827
5862 1 12 . 1 1 74 74 LYS H H 67 7.860 7.860 7.899 -0.039 17827
5863 1 12 . 1 1 75 75 LYS N N 68 121.233 121.233 115.346 5.887 17827
5864 1 12 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.247 -0.312 17827
5865 1 12 . 1 1 75 75 LYS C C 68 174.183 174.183 175.266 -1.083 17827
5866 1 12 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.255 -1.855 17827
5867 1 12 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.242 -1.042 17827
5868 1 12 . 1 1 75 75 LYS H H 68 7.500 7.500 6.918 0.582 17827
5869 1 12 . 1 1 76 76 ARG N N 69 121.125 121.125 116.951 4.174 17827
5870 1 12 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.943 -0.053 17827
5871 1 12 . 1 1 76 76 ARG C C 69 173.984 173.984 173.921 0.063 17827
5872 1 12 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.411 -0.095 17827
5873 1 12 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.235 0.855 17827
5874 1 12 . 1 1 76 76 ARG H H 69 7.500 7.500 7.619 -0.119 17827
5875 1 12 . 1 1 77 77 THR N N 70 110.478 110.478 113.060 -2.582 17827
5876 1 12 . 1 1 77 77 THR HA H 70 4.650 4.650 4.269 0.381 17827
5877 1 12 . 1 1 77 77 THR C C 70 171.846 171.846 172.442 -0.596 17827
5878 1 12 . 1 1 77 77 THR CA C 70 61.630 61.630 59.823 1.807 17827
5879 1 12 . 1 1 77 77 THR CB C 70 72.210 72.210 70.712 1.498 17827
5880 1 12 . 1 1 77 77 THR H H 70 6.280 6.280 7.028 -0.748 17827
5881 1 12 . 1 1 78 78 TRP N N 71 127.244 127.244 118.789 8.455 17827
5882 1 12 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.711 -0.961 17827
5883 1 12 . 1 1 78 78 TRP C C 71 177.303 177.303 175.990 1.313 17827
5884 1 12 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.500 0.740 17827
5885 1 12 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.820 -1.320 17827
5886 1 12 . 1 1 78 78 TRP H H 71 8.795 8.795 8.438 0.357 17827
5887 1 12 . 1 1 79 79 LEU N N 72 125.202 125.202 122.875 2.327 17827
5888 1 12 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.872 -0.372 17827
5889 1 12 . 1 1 79 79 LEU C C 72 175.667 175.667 176.490 -0.823 17827
5890 1 12 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.392 -1.882 17827
5891 1 12 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.943 -3.703 17827
5892 1 12 . 1 1 79 79 LEU H H 72 9.175 9.175 8.427 0.749 17827
5893 1 12 . 1 1 80 80 LEU N N 73 119.170 119.170 124.359 -5.189 17827
5894 1 12 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.611 -0.231 17827
5895 1 12 . 1 1 80 80 LEU C C 73 178.139 178.139 176.696 1.443 17827
5896 1 12 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.091 -0.391 17827
5897 1 12 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.469 -0.299 17827
5898 1 12 . 1 1 80 80 LEU H H 73 7.280 7.280 8.697 -1.417 17827
5899 1 12 . 1 1 81 81 LYS N N 74 119.766 119.766 118.251 1.515 17827
5900 1 12 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.371 0.064 17827
5901 1 12 . 1 1 81 81 LYS C C 74 176.601 176.601 177.600 -0.999 17827
5902 1 12 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.663 -2.003 17827
5903 1 12 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.189 -4.649 17827
5904 1 12 . 1 1 81 81 LYS H H 74 7.865 7.865 7.939 -0.074 17827
5905 1 12 . 1 1 82 82 THR N N 75 115.636 115.636 115.060 0.576 17827
5906 1 12 . 1 1 82 82 THR HA H 75 3.800 3.800 4.360 -0.560 17827
5907 1 12 . 1 1 82 82 THR C C 75 174.806 174.806 175.467 -0.661 17827
5908 1 12 . 1 1 82 82 THR CA C 75 64.650 64.650 65.157 -0.507 17827
5909 1 12 . 1 1 82 82 THR CB C 75 68.260 68.260 68.657 -0.397 17827
5910 1 12 . 1 1 82 82 THR H H 75 7.910 7.910 8.767 -0.857 17827
5911 1 12 . 1 1 83 83 HIS N N 76 116.767 116.767 120.355 -3.588 17827
5912 1 12 . 1 1 83 83 HIS C C 76 176.370 176.370 175.201 1.169 17827
5913 1 12 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.435 0.775 17827
5914 1 12 . 1 1 83 83 HIS H H 76 8.965 8.965 8.512 0.453 17827
5915 1 12 . 1 1 84 84 TRP N N 77 123.905 123.905 119.500 4.405 17827
5916 1 12 . 1 1 84 84 TRP C C 77 175.584 175.584 175.382 0.202 17827
5917 1 12 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.222 1.168 17827
5918 1 12 . 1 1 84 84 TRP H H 77 7.635 7.635 7.509 0.126 17827
5919 1 12 . 1 1 85 85 THR N N 78 108.440 108.440 114.687 -6.247 17827
5920 1 12 . 1 1 85 85 THR HA H 78 4.900 4.900 4.189 0.711 17827
5921 1 12 . 1 1 85 85 THR C C 78 175.691 175.691 175.604 0.087 17827
5922 1 12 . 1 1 85 85 THR CA C 78 59.500 59.500 63.736 -4.236 17827
5923 1 12 . 1 1 85 85 THR CB C 78 70.600 70.600 69.531 1.069 17827
5924 1 12 . 1 1 85 85 THR H H 78 7.030 7.030 7.648 -0.618 17827
5925 1 12 . 1 1 86 86 LEU N N 79 119.766 119.766 121.424 -1.658 17827
5926 1 12 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.061 -0.021 17827
5927 1 12 . 1 1 86 86 LEU C C 79 179.734 179.734 179.025 0.709 17827
5928 1 12 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.565 -0.815 17827
5929 1 12 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.349 -0.899 17827
5930 1 12 . 1 1 86 86 LEU H H 79 8.045 8.045 8.515 -0.470 17827
5931 1 12 . 1 1 87 87 ASP N N 80 118.407 118.407 118.840 -0.433 17827
5932 1 12 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.343 0.097 17827
5933 1 12 . 1 1 87 87 ASP C C 80 179.152 179.152 178.169 0.983 17827
5934 1 12 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.125 0.195 17827
5935 1 12 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.575 -0.255 17827
5936 1 12 . 1 1 87 87 ASP H H 80 8.935 8.935 8.809 0.126 17827
5937 1 12 . 1 1 88 88 LYS N N 81 123.300 123.300 119.036 4.264 17827
5938 1 12 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.856 -0.156 17827
5939 1 12 . 1 1 88 88 LYS C C 81 178.721 178.721 178.574 0.147 17827
5940 1 12 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.865 0.155 17827
5941 1 12 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.887 -0.246 17827
5942 1 12 . 1 1 88 88 LYS H H 81 8.055 8.055 8.288 -0.233 17827
5943 1 12 . 1 1 89 89 TYR N N 82 115.690 115.690 116.278 -0.588 17827
5944 1 12 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.546 0.034 17827
5945 1 12 . 1 1 89 89 TYR C C 82 176.164 176.164 176.009 0.155 17827
5946 1 12 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.287 2.463 17827
5947 1 12 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.386 1.364 17827
5948 1 12 . 1 1 89 89 TYR H H 82 7.730 7.730 7.716 0.014 17827
5949 1 12 . 1 1 90 90 GLY N N 83 108.212 108.212 107.546 0.666 17827
5950 1 12 . 1 1 90 90 GLY C C 83 174.555 174.555 174.346 0.209 17827
5951 1 12 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.995 0.515 17827
5952 1 12 . 1 1 90 90 GLY H H 83 8.030 8.030 7.620 0.410 17827
5953 1 12 . 1 1 91 91 ILE N N 84 122.960 122.960 120.429 2.531 17827
5954 1 12 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.136 -0.766 17827
5955 1 12 . 1 1 91 91 ILE C C 84 173.611 173.611 174.892 -1.281 17827
5956 1 12 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.291 0.409 17827
5957 1 12 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.156 -1.546 17827
5958 1 12 . 1 1 91 91 ILE H H 84 7.850 7.850 7.936 -0.086 17827
5959 1 12 . 1 1 92 92 GLN N N 85 125.429 125.429 124.037 1.392 17827
5960 1 12 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.530 0.350 17827
5961 1 12 . 1 1 92 92 GLN C C 85 174.756 174.756 174.984 -0.228 17827
5962 1 12 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.579 -0.859 17827
5963 1 12 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.851 0.299 17827
5964 1 12 . 1 1 92 92 GLN H H 85 7.700 7.700 8.031 -0.331 17827
5965 1 12 . 1 1 93 93 ALA N N 86 118.217 118.217 120.915 -2.698 17827
5966 1 12 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.465 -0.665 17827
5967 1 12 . 1 1 93 93 ALA C C 86 177.201 177.201 177.413 -0.212 17827
5968 1 12 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.279 0.801 17827
5969 1 12 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.785 -0.375 17827
5970 1 12 . 1 1 93 93 ALA H H 86 6.886 6.886 8.122 -1.236 17827
5971 1 12 . 1 1 94 94 ASP N N 87 113.647 113.647 117.513 -3.866 17827
5972 1 12 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.524 -0.104 17827
5973 1 12 . 1 1 94 94 ASP C C 87 176.218 176.218 175.202 1.016 17827
5974 1 12 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.879 0.181 17827
5975 1 12 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.971 -1.371 17827
5976 1 12 . 1 1 94 94 ASP H H 87 8.223 8.223 8.001 0.222 17827
5977 1 12 . 1 1 95 95 ALA N N 88 124.145 124.145 122.762 1.383 17827
5978 1 12 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.594 -0.288 17827
5979 1 12 . 1 1 95 95 ALA C C 88 176.630 176.630 176.278 0.352 17827
5980 1 12 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.645 1.675 17827
5981 1 12 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.723 0.297 17827
5982 1 12 . 1 1 95 95 ALA H H 88 7.941 7.941 7.139 0.802 17827
5983 1 12 . 1 1 96 96 LYS N N 89 120.897 120.897 126.038 -5.141 17827
5984 1 12 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.810 0.016 17827
5985 1 12 . 1 1 96 96 LYS C C 89 176.161 176.161 176.154 0.007 17827
5986 1 12 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.049 -0.313 17827
5987 1 12 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.392 -0.001 17827
5988 1 12 . 1 1 96 96 LYS H H 89 8.500 8.500 8.563 -0.063 17827
5989 1 12 . 1 1 97 97 LEU N N 90 122.960 122.960 124.671 -1.711 17827
5990 1 12 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.256 0.819 17827
5991 1 12 . 1 1 97 97 LEU C C 90 176.394 176.394 176.210 0.184 17827
5992 1 12 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.580 -1.520 17827
5993 1 12 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.029 1.821 17827
5994 1 12 . 1 1 97 97 LEU H H 90 8.566 8.566 8.741 -0.175 17827
5995 1 12 . 1 1 98 98 GLN N N 91 119.538 119.538 114.288 5.250 17827
5996 1 12 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.830 0.880 17827
5997 1 12 . 1 1 98 98 GLN C C 91 174.144 174.144 174.499 -0.355 17827
5998 1 12 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.547 -0.188 17827
5999 1 12 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.752 -0.462 17827
6000 1 12 . 1 1 98 98 GLN H H 91 9.060 9.060 7.829 1.231 17827
6001 1 12 . 1 1 99 99 PHE N N 92 125.674 125.674 120.131 5.543 17827
6002 1 12 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.209 0.491 17827
6003 1 12 . 1 1 99 99 PHE C C 92 174.537 174.537 174.365 0.172 17827
6004 1 12 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.678 -1.488 17827
6005 1 12 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.728 -2.648 17827
6006 1 12 . 1 1 99 99 PHE H H 92 9.290 9.290 9.688 -0.398 17827
6007 1 12 . 1 1 100 100 THR N N 93 124.543 124.543 119.285 5.258 17827
6008 1 12 . 1 1 100 100 THR HA H 93 5.100 5.100 4.828 0.272 17827
6009 1 12 . 1 1 100 100 THR C C 93 180.164 180.164 172.095 8.069 17827
6010 1 12 . 1 1 100 100 THR CA C 93 58.830 58.830 59.724 -0.894 17827
6011 1 12 . 1 1 100 100 THR CB C 93 73.610 73.610 69.993 3.617 17827
6012 1 12 . 1 1 100 100 THR H H 93 8.945 8.945 9.607 -0.662 17827
6013 1 13 . 1 1 9 9 ALA N N 2 124.336 124.336 122.036 2.300 17827
6014 1 13 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.650 -0.440 17827
6015 1 13 . 1 1 9 9 ALA C C 2 177.598 177.598 177.365 0.233 17827
6016 1 13 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.806 0.634 17827
6017 1 13 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.963 0.067 17827
6018 1 13 . 1 1 9 9 ALA H H 2 8.018 8.018 8.517 -0.499 17827
6019 1 13 . 1 1 10 10 LEU N N 3 121.125 121.125 120.661 0.464 17827
6020 1 13 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.972 0.238 17827
6021 1 13 . 1 1 10 10 LEU C C 3 177.094 177.094 177.405 -0.311 17827
6022 1 13 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.529 -1.209 17827
6023 1 13 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.904 0.266 17827
6024 1 13 . 1 1 10 10 LEU H H 3 8.057 8.057 8.164 -0.107 17827
6025 1 13 . 1 1 11 11 ASP N N 4 119.766 119.766 116.048 3.718 17827
6026 1 13 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.401 0.074 17827
6027 1 13 . 1 1 11 11 ASP C C 4 176.509 176.509 177.873 -1.364 17827
6028 1 13 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.153 -0.603 17827
6029 1 13 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.053 0.897 17827
6030 1 13 . 1 1 11 11 ASP H H 4 8.145 8.145 8.271 -0.126 17827
6031 1 13 . 1 1 12 12 GLY N N 5 108.440 108.440 107.686 0.754 17827
6032 1 13 . 1 1 12 12 GLY C C 5 173.692 173.692 175.924 -2.232 17827
6033 1 13 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.062 -0.752 17827
6034 1 13 . 1 1 12 12 GLY H H 5 8.110 8.110 8.729 -0.619 17827
6035 1 13 . 1 1 13 13 ILE N N 6 119.766 119.766 120.350 -0.584 17827
6036 1 13 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.597 0.503 17827
6037 1 13 . 1 1 13 13 ILE C C 6 175.525 175.525 177.593 -2.068 17827
6038 1 13 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.274 -2.564 17827
6039 1 13 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.367 1.063 17827
6040 1 13 . 1 1 13 13 ILE H H 6 7.790 7.790 7.870 -0.080 17827
6041 1 13 . 1 1 14 14 ARG N N 7 125.657 125.657 119.860 5.797 17827
6042 1 13 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.227 -0.017 17827
6043 1 13 . 1 1 14 14 ARG C C 7 175.810 175.810 176.173 -0.363 17827
6044 1 13 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.491 -1.851 17827
6045 1 13 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.786 0.204 17827
6046 1 13 . 1 1 14 14 ARG H H 7 8.410 8.410 7.846 0.564 17827
6047 1 13 . 1 1 15 15 MET N N 8 123.598 123.598 115.073 8.525 17827
6048 1 13 . 1 1 15 15 MET HA H 8 4.210 4.210 4.980 -0.770 17827
6049 1 13 . 1 1 15 15 MET C C 8 174.950 174.950 174.462 0.488 17827
6050 1 13 . 1 1 15 15 MET CA C 8 55.330 55.330 53.161 2.169 17827
6051 1 13 . 1 1 15 15 MET CB C 8 31.730 31.730 31.908 -0.178 17827
6052 1 13 . 1 1 15 15 MET H H 8 8.495 8.495 7.682 0.813 17827
6053 1 13 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.300 -0.010 17827
6054 1 13 . 1 1 16 16 PRO C C 9 176.228 176.228 176.516 -0.288 17827
6055 1 13 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.929 -1.559 17827
6056 1 13 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.939 0.881 17827
6057 1 13 . 1 1 17 17 ASP N N 10 117.952 117.952 116.007 1.945 17827
6058 1 13 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.612 -0.192 17827
6059 1 13 . 1 1 17 17 ASP C C 10 176.714 176.714 176.556 0.158 17827
6060 1 13 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.970 -0.840 17827
6061 1 13 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.399 0.031 17827
6062 1 13 . 1 1 17 17 ASP H H 10 8.076 8.076 7.965 0.111 17827
6063 1 13 . 1 1 18 18 GLY N N 11 108.663 108.663 106.160 2.503 17827
6064 1 13 . 1 1 18 18 GLY C C 11 173.819 173.819 175.173 -1.354 17827
6065 1 13 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.462 -0.162 17827
6066 1 13 . 1 1 18 18 GLY H H 11 8.255 8.255 7.661 0.594 17827
6067 1 13 . 1 1 19 19 CYS N N 12 118.179 118.179 120.898 -2.719 17827
6068 1 13 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.346 0.204 17827
6069 1 13 . 1 1 19 19 CYS C C 12 174.073 174.073 174.639 -0.566 17827
6070 1 13 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.226 -3.806 17827
6071 1 13 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.520 -0.121 17827
6072 1 13 . 1 1 19 19 CYS H H 12 7.850 7.850 8.231 -0.381 17827
6073 1 13 . 1 1 20 20 TYR N N 13 120.897 120.897 121.296 -0.399 17827
6074 1 13 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.574 -0.024 17827
6075 1 13 . 1 1 20 20 TYR C C 13 176.748 176.748 174.197 2.551 17827
6076 1 13 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.147 1.323 17827
6077 1 13 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.081 2.129 17827
6078 1 13 . 1 1 20 20 TYR H H 13 8.550 8.550 8.266 0.284 17827
6079 1 13 . 1 1 21 21 ALA N N 14 124.750 124.750 128.228 -3.478 17827
6080 1 13 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.738 0.452 17827
6081 1 13 . 1 1 21 21 ALA C C 14 177.181 177.181 177.249 -0.068 17827
6082 1 13 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.590 -1.060 17827
6083 1 13 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.594 1.036 17827
6084 1 13 . 1 1 21 21 ALA H H 14 8.615 8.615 7.731 0.884 17827
6085 1 13 . 1 1 22 22 ASP N N 15 117.500 117.500 122.425 -4.925 17827
6086 1 13 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.601 -0.121 17827
6087 1 13 . 1 1 22 22 ASP C C 15 176.708 176.708 178.248 -1.540 17827
6088 1 13 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.810 -0.310 17827
6089 1 13 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.401 -0.671 17827
6090 1 13 . 1 1 22 22 ASP H H 15 7.960 7.960 8.379 -0.419 17827
6091 1 13 . 1 1 23 23 GLY N N 16 108.891 108.891 110.315 -1.424 17827
6092 1 13 . 1 1 23 23 GLY C C 16 174.373 174.373 173.634 0.739 17827
6093 1 13 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.480 -1.110 17827
6094 1 13 . 1 1 23 23 GLY H H 16 8.344 8.344 8.680 -0.336 17827
6095 1 13 . 1 1 24 24 THR N N 17 110.929 110.929 109.754 1.175 17827
6096 1 13 . 1 1 24 24 THR HA H 17 4.640 4.640 4.553 0.087 17827
6097 1 13 . 1 1 24 24 THR C C 17 173.620 173.620 173.329 0.291 17827
6098 1 13 . 1 1 24 24 THR CA C 17 60.540 60.540 60.312 0.228 17827
6099 1 13 . 1 1 24 24 THR CB C 17 72.100 72.100 70.985 1.115 17827
6100 1 13 . 1 1 24 24 THR H H 17 7.850 7.850 7.597 0.253 17827
6101 1 13 . 1 1 25 25 TRP N N 18 117.728 117.728 119.709 -1.981 17827
6102 1 13 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.084 -0.139 17827
6103 1 13 . 1 1 25 25 TRP C C 18 174.164 174.164 173.695 0.469 17827
6104 1 13 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.269 -1.649 17827
6105 1 13 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.777 0.872 17827
6106 1 13 . 1 1 25 25 TRP H H 18 8.640 8.640 7.503 1.137 17827
6107 1 13 . 1 1 26 26 GLU N N 19 117.728 117.728 118.223 -0.495 17827
6108 1 13 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.823 0.028 17827
6109 1 13 . 1 1 26 26 GLU C C 19 174.786 174.786 174.842 -0.056 17827
6110 1 13 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.869 0.841 17827
6111 1 13 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.377 -0.877 17827
6112 1 13 . 1 1 26 26 GLU H H 19 8.744 8.744 8.530 0.214 17827
6113 1 13 . 1 1 27 27 LEU N N 20 126.668 126.668 119.299 7.369 17827
6114 1 13 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.794 0.086 17827
6115 1 13 . 1 1 27 27 LEU C C 20 175.123 175.123 175.366 -0.243 17827
6116 1 13 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.608 -0.356 17827
6117 1 13 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.863 -1.583 17827
6118 1 13 . 1 1 27 27 LEU H H 20 8.980 8.980 8.826 0.154 17827
6119 1 13 . 1 1 28 28 SER N N 21 121.804 121.804 117.607 4.197 17827
6120 1 13 . 1 1 28 28 SER HA H 21 4.894 4.894 5.097 -0.203 17827
6121 1 13 . 1 1 28 28 SER C C 21 173.483 173.483 172.996 0.487 17827
6122 1 13 . 1 1 28 28 SER CA C 21 57.880 57.880 56.879 1.001 17827
6123 1 13 . 1 1 28 28 SER CB C 21 63.920 63.920 64.617 -0.697 17827
6124 1 13 . 1 1 28 28 SER H H 21 8.785 8.785 8.550 0.235 17827
6125 1 13 . 1 1 29 29 VAL N N 22 125.881 125.881 122.976 2.905 17827
6126 1 13 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.482 -0.112 17827
6127 1 13 . 1 1 29 29 VAL C C 22 173.953 173.953 174.877 -0.924 17827
6128 1 13 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.083 0.357 17827
6129 1 13 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.890 -1.540 17827
6130 1 13 . 1 1 29 29 VAL H H 22 8.865 8.865 8.427 0.438 17827
6131 1 13 . 1 1 30 30 HIS N N 23 126.560 126.560 123.143 3.417 17827
6132 1 13 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.804 0.416 17827
6133 1 13 . 1 1 30 30 HIS C C 23 174.596 174.596 173.753 0.843 17827
6134 1 13 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.452 -0.202 17827
6135 1 13 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.212 -2.662 17827
6136 1 13 . 1 1 30 30 HIS H H 23 8.810 8.810 8.514 0.296 17827
6137 1 13 . 1 1 31 31 VAL N N 24 130.587 130.587 127.493 3.094 17827
6138 1 13 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.645 0.585 17827
6139 1 13 . 1 1 31 31 VAL C C 24 177.426 177.426 177.414 0.012 17827
6140 1 13 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.866 -6.336 17827
6141 1 13 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.090 -0.049 17827
6142 1 13 . 1 1 31 31 VAL H H 24 9.043 9.043 8.769 0.274 17827
6143 1 13 . 1 1 32 32 THR N N 25 122.484 122.484 121.084 1.400 17827
6144 1 13 . 1 1 32 32 THR HA H 25 3.970 3.970 4.424 -0.454 17827
6145 1 13 . 1 1 32 32 THR C C 25 177.437 177.437 175.772 1.665 17827
6146 1 13 . 1 1 32 32 THR CA C 25 66.470 66.470 64.372 2.098 17827
6147 1 13 . 1 1 32 32 THR CB C 25 68.220 68.220 69.169 -0.949 17827
6148 1 13 . 1 1 32 32 THR H H 25 8.245 8.245 8.816 -0.571 17827
6149 1 13 . 1 1 34 34 VAL N N 27 114.090 114.090 115.818 -1.728 17827
6150 1 13 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.132 0.368 17827
6151 1 13 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.297 -8.077 17827
6152 1 13 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.756 -6.696 17827
6153 1 13 . 1 1 34 34 VAL H H 27 6.977 6.977 7.343 -0.366 17827
6154 1 13 . 1 1 35 35 ASN N N 28 116.829 116.829 115.988 0.841 17827
6155 1 13 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.474 -0.175 17827
6156 1 13 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.166 -0.516 17827
6157 1 13 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.736 -0.626 17827
6158 1 13 . 1 1 35 35 ASN H H 28 7.897 7.897 7.955 -0.058 17827
6159 1 13 . 1 1 36 36 ARG N N 29 114.310 114.310 117.631 -3.321 17827
6160 1 13 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.781 -0.081 17827
6161 1 13 . 1 1 36 36 ARG C C 29 173.347 173.347 174.027 -0.680 17827
6162 1 13 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.654 0.247 17827
6163 1 13 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.916 1.784 17827
6164 1 13 . 1 1 36 36 ARG H H 29 6.787 6.787 7.716 -0.929 17827
6165 1 13 . 1 1 37 37 ASP N N 30 124.071 124.071 119.389 4.682 17827
6166 1 13 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.721 0.754 17827
6167 1 13 . 1 1 37 37 ASP C C 30 175.354 175.354 174.614 0.740 17827
6168 1 13 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.462 0.198 17827
6169 1 13 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.426 -1.166 17827
6170 1 13 . 1 1 37 37 ASP H H 30 8.760 8.760 8.415 0.345 17827
6171 1 13 . 1 1 38 38 VAL N N 31 123.300 123.300 118.433 4.867 17827
6172 1 13 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.531 -0.261 17827
6173 1 13 . 1 1 38 38 VAL C C 31 174.203 174.203 174.337 -0.134 17827
6174 1 13 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.912 0.788 17827
6175 1 13 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.086 -1.466 17827
6176 1 13 . 1 1 38 38 VAL H H 31 9.187 9.187 7.954 1.233 17827
6177 1 13 . 1 1 39 39 THR N N 32 119.766 119.766 113.948 5.818 17827
6178 1 13 . 1 1 39 39 THR HA H 32 5.095 5.095 4.941 0.154 17827
6179 1 13 . 1 1 39 39 THR C C 32 173.547 173.547 173.065 0.482 17827
6180 1 13 . 1 1 39 39 THR CA C 32 60.550 60.550 60.212 0.338 17827
6181 1 13 . 1 1 39 39 THR CB C 32 70.170 70.170 71.011 -0.841 17827
6182 1 13 . 1 1 39 39 THR H H 32 8.360 8.360 8.162 0.198 17827
6183 1 13 . 1 1 40 40 LEU N N 33 124.522 124.522 122.045 2.477 17827
6184 1 13 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.603 -0.013 17827
6185 1 13 . 1 1 40 40 LEU C C 33 174.691 174.691 175.808 -1.117 17827
6186 1 13 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.440 -0.860 17827
6187 1 13 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.575 0.834 17827
6188 1 13 . 1 1 40 40 LEU H H 33 8.750 8.750 8.196 0.554 17827
6189 1 13 . 1 1 41 41 ARG N N 34 122.712 122.712 124.983 -2.271 17827
6190 1 13 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.731 -0.051 17827
6191 1 13 . 1 1 41 41 ARG C C 34 175.700 175.700 174.608 1.092 17827
6192 1 13 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.807 0.613 17827
6193 1 13 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.651 -0.151 17827
6194 1 13 . 1 1 41 41 ARG H H 34 8.345 8.345 8.814 -0.469 17827
6195 1 13 . 1 1 42 42 VAL N N 35 117.728 117.728 118.627 -0.899 17827
6196 1 13 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.452 0.013 17827
6197 1 13 . 1 1 42 42 VAL C C 35 173.184 173.184 173.592 -0.408 17827
6198 1 13 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.062 -0.393 17827
6199 1 13 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.765 1.285 17827
6200 1 13 . 1 1 42 42 VAL H H 35 8.640 8.640 7.868 0.772 17827
6201 1 13 . 1 1 43 43 THR N N 36 104.359 104.359 108.070 -3.711 17827
6202 1 13 . 1 1 43 43 THR HA H 36 4.660 4.660 2.442 2.218 17827
6203 1 13 . 1 1 43 43 THR C C 36 174.862 174.862 175.140 -0.278 17827
6204 1 13 . 1 1 43 43 THR CA C 36 59.010 59.010 59.243 -0.233 17827
6205 1 13 . 1 1 43 43 THR CB C 36 71.570 71.570 71.683 -0.113 17827
6206 1 13 . 1 1 43 43 THR H H 36 6.220 6.220 7.674 -1.454 17827
6207 1 13 . 1 1 44 44 GLY N N 37 105.946 105.946 107.667 -1.721 17827
6208 1 13 . 1 1 44 44 GLY C C 37 173.394 173.394 174.640 -1.246 17827
6209 1 13 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.887 -0.057 17827
6210 1 13 . 1 1 44 44 GLY H H 37 9.160 9.160 8.775 0.385 17827
6211 1 13 . 1 1 45 45 GLU N N 38 113.875 113.875 117.469 -3.594 17827
6212 1 13 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.227 0.063 17827
6213 1 13 . 1 1 45 45 GLU C C 38 176.167 176.167 176.734 -0.567 17827
6214 1 13 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.128 -0.628 17827
6215 1 13 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.747 1.203 17827
6216 1 13 . 1 1 45 45 GLU H H 38 7.500 7.500 7.248 0.252 17827
6217 1 13 . 1 1 46 46 VAL N N 39 121.577 121.577 122.477 -0.900 17827
6218 1 13 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.834 -0.014 17827
6219 1 13 . 1 1 46 46 VAL C C 39 174.651 174.651 175.154 -0.503 17827
6220 1 13 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.470 1.450 17827
6221 1 13 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.745 -1.155 17827
6222 1 13 . 1 1 46 46 VAL H H 39 7.260 7.260 7.598 -0.338 17827
6223 1 13 . 1 1 47 47 HIS N N 40 123.391 123.391 126.825 -3.434 17827
6224 1 13 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.609 0.603 17827
6225 1 13 . 1 1 47 47 HIS C C 40 177.440 177.440 176.728 0.712 17827
6226 1 13 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.561 -0.901 17827
6227 1 13 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.532 0.378 17827
6228 1 13 . 1 1 47 47 HIS H H 40 8.285 8.285 8.199 0.086 17827
6229 1 13 . 1 1 48 48 ILE N N 41 124.071 124.071 123.382 0.689 17827
6230 1 13 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.887 -0.357 17827
6231 1 13 . 1 1 48 48 ILE C C 41 178.941 178.941 177.952 0.989 17827
6232 1 13 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.627 -3.297 17827
6233 1 13 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.772 -3.542 17827
6234 1 13 . 1 1 48 48 ILE H H 41 8.863 8.863 8.034 0.829 17827
6235 1 13 . 1 1 49 49 GLY N N 42 106.853 106.853 105.006 1.847 17827
6236 1 13 . 1 1 49 49 GLY C C 42 175.669 175.669 175.258 0.411 17827
6237 1 13 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.145 -0.825 17827
6238 1 13 . 1 1 49 49 GLY H H 42 9.720 9.720 8.024 1.696 17827
6239 1 13 . 1 1 50 50 GLY N N 43 109.571 109.571 109.080 0.491 17827
6240 1 13 . 1 1 50 50 GLY C C 43 175.847 175.847 175.322 0.525 17827
6241 1 13 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.411 1.589 17827
6242 1 13 . 1 1 50 50 GLY H H 43 6.950 6.950 8.254 -1.304 17827
6243 1 13 . 1 1 51 51 VAL N N 44 123.163 123.163 124.574 -1.411 17827
6244 1 13 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.603 -0.488 17827
6245 1 13 . 1 1 51 51 VAL C C 44 176.804 176.804 177.901 -1.097 17827
6246 1 13 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.106 -0.446 17827
6247 1 13 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.117 -1.387 17827
6248 1 13 . 1 1 51 51 VAL H H 44 7.860 7.860 8.649 -0.789 17827
6249 1 13 . 1 1 52 52 MET N N 45 115.913 115.913 117.649 -1.736 17827
6250 1 13 . 1 1 52 52 MET HA H 45 3.410 3.410 4.388 -0.978 17827
6251 1 13 . 1 1 52 52 MET C C 45 176.881 176.881 178.064 -1.183 17827
6252 1 13 . 1 1 52 52 MET CA C 45 59.830 59.830 59.505 0.325 17827
6253 1 13 . 1 1 52 52 MET CB C 45 32.310 32.310 32.096 0.214 17827
6254 1 13 . 1 1 52 52 MET H H 45 7.940 7.940 7.829 0.111 17827
6255 1 13 . 1 1 53 53 LEU N N 46 118.291 118.291 121.132 -2.841 17827
6256 1 13 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.857 0.083 17827
6257 1 13 . 1 1 53 53 LEU C C 46 179.178 179.178 179.025 0.153 17827
6258 1 13 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.762 0.738 17827
6259 1 13 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.128 0.802 17827
6260 1 13 . 1 1 53 53 LEU H H 46 7.550 7.550 7.570 -0.020 17827
6261 1 13 . 1 1 54 54 LYS N N 47 118.142 118.142 119.084 -0.942 17827
6262 1 13 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.038 -0.168 17827
6263 1 13 . 1 1 54 54 LYS C C 47 178.616 178.616 179.202 -0.586 17827
6264 1 13 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.264 -1.284 17827
6265 1 13 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.047 0.273 17827
6266 1 13 . 1 1 54 54 LYS H H 47 7.665 7.665 8.503 -0.838 17827
6267 1 13 . 1 1 55 55 LEU N N 48 119.385 119.385 120.207 -0.822 17827
6268 1 13 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.281 -0.711 17827
6269 1 13 . 1 1 55 55 LEU C C 48 177.405 177.405 177.884 -0.479 17827
6270 1 13 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.834 -0.044 17827
6271 1 13 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.914 -0.324 17827
6272 1 13 . 1 1 55 55 LEU H H 48 7.975 7.975 7.596 0.379 17827
6273 1 13 . 1 1 56 56 VAL N N 49 116.141 116.141 120.584 -4.443 17827
6274 1 13 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.466 -0.476 17827
6275 1 13 . 1 1 56 56 VAL C C 49 178.564 178.564 178.132 0.432 17827
6276 1 13 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.258 -0.948 17827
6277 1 13 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.140 0.160 17827
6278 1 13 . 1 1 56 56 VAL H H 49 7.615 7.615 8.944 -1.329 17827
6279 1 13 . 1 1 57 57 GLU N N 50 118.631 118.631 119.526 -0.895 17827
6280 1 13 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.906 0.059 17827
6281 1 13 . 1 1 57 57 GLU C C 50 178.030 178.030 178.509 -0.479 17827
6282 1 13 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.135 -0.635 17827
6283 1 13 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.234 0.376 17827
6284 1 13 . 1 1 57 57 GLU H H 50 7.575 7.575 8.848 -1.273 17827
6285 1 13 . 1 1 58 58 LYS N N 51 117.053 117.053 118.944 -1.891 17827
6286 1 13 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.036 0.094 17827
6287 1 13 . 1 1 58 58 LYS C C 51 176.956 176.956 178.581 -1.625 17827
6288 1 13 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.855 -2.195 17827
6289 1 13 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.821 -0.161 17827
6290 1 13 . 1 1 58 58 LYS H H 51 7.490 7.490 7.425 0.065 17827
6291 1 13 . 1 1 59 59 LEU N N 52 119.460 119.460 118.092 1.368 17827
6292 1 13 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.091 0.031 17827
6293 1 13 . 1 1 59 59 LEU C C 52 176.645 176.645 177.403 -0.758 17827
6294 1 13 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.342 0.318 17827
6295 1 13 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.620 0.080 17827
6296 1 13 . 1 1 59 59 LEU H H 52 7.470 7.470 8.080 -0.610 17827
6297 1 13 . 1 1 62 62 LYS C C 55 175.670 175.670 175.184 0.486 17827
6298 1 13 . 1 1 63 63 LYS N N 56 122.430 122.430 121.416 1.014 17827
6299 1 13 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.499 -0.469 17827
6300 1 13 . 1 1 63 63 LYS C C 56 172.850 172.850 176.312 -3.462 17827
6301 1 13 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.562 -2.032 17827
6302 1 13 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.322 1.118 17827
6303 1 13 . 1 1 63 63 LYS H H 56 7.245 7.245 8.015 -0.770 17827
6304 1 13 . 1 1 64 64 ASP N N 57 118.867 118.867 121.876 -3.009 17827
6305 1 13 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.342 0.188 17827
6306 1 13 . 1 1 64 64 ASP C C 57 176.710 176.710 175.942 0.768 17827
6307 1 13 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.447 -1.947 17827
6308 1 13 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.890 -0.570 17827
6309 1 13 . 1 1 64 64 ASP H H 57 7.867 7.867 8.409 -0.542 17827
6310 1 13 . 1 1 65 65 TRP N N 58 128.827 128.827 121.725 7.102 17827
6311 1 13 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.778 -0.238 17827
6312 1 13 . 1 1 65 65 TRP C C 58 178.390 178.390 177.509 0.881 17827
6313 1 13 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.522 -5.662 17827
6314 1 13 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.784 0.636 17827
6315 1 13 . 1 1 65 65 TRP H H 58 8.790 8.790 8.144 0.646 17827
6316 1 13 . 1 1 66 66 SER N N 59 117.724 117.724 114.370 3.354 17827
6317 1 13 . 1 1 66 66 SER HA H 59 4.143 4.143 4.576 -0.433 17827
6318 1 13 . 1 1 66 66 SER C C 59 174.471 174.471 174.866 -0.395 17827
6319 1 13 . 1 1 66 66 SER CA C 59 62.350 62.350 60.310 2.040 17827
6320 1 13 . 1 1 66 66 SER CB C 59 63.110 63.110 63.211 -0.101 17827
6321 1 13 . 1 1 66 66 SER H H 59 8.637 8.637 8.058 0.579 17827
6322 1 13 . 1 1 67 67 ASP N N 60 121.042 121.042 119.563 1.479 17827
6323 1 13 . 1 1 67 67 ASP C C 60 176.206 176.206 176.527 -0.321 17827
6324 1 13 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.953 1.607 17827
6325 1 13 . 1 1 67 67 ASP H H 60 8.895 8.895 8.212 0.683 17827
6326 1 13 . 1 1 68 68 HIS N N 61 121.519 121.519 116.384 5.135 17827
6327 1 13 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.451 0.039 17827
6328 1 13 . 1 1 68 68 HIS C C 61 174.546 174.546 174.647 -0.101 17827
6329 1 13 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.983 1.957 17827
6330 1 13 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.139 8.271 17827
6331 1 13 . 1 1 68 68 HIS H H 61 7.958 7.958 7.454 0.504 17827
6332 1 13 . 1 1 69 69 ALA N N 62 122.256 122.256 118.136 4.120 17827
6333 1 13 . 1 1 69 69 ALA C C 62 175.294 175.294 174.538 0.756 17827
6334 1 13 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.405 0.065 17827
6335 1 13 . 1 1 69 69 ALA H H 62 8.575 8.575 8.651 -0.076 17827
6336 1 13 . 1 1 70 70 LEU N N 63 118.904 118.904 119.711 -0.807 17827
6337 1 13 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.921 0.733 17827
6338 1 13 . 1 1 70 70 LEU C C 63 174.445 174.445 176.588 -2.143 17827
6339 1 13 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.159 0.771 17827
6340 1 13 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.596 1.704 17827
6341 1 13 . 1 1 70 70 LEU H H 63 9.150 9.150 8.650 0.500 17827
6342 1 13 . 1 1 71 71 TRP N N 64 125.367 125.367 128.781 -3.414 17827
6343 1 13 . 1 1 71 71 TRP C C 64 174.010 174.010 175.925 -1.915 17827
6344 1 13 . 1 1 71 71 TRP CB C 64 32.210 32.210 29.908 2.302 17827
6345 1 13 . 1 1 71 71 TRP H H 64 9.590 9.590 8.588 1.002 17827
6346 1 13 . 1 1 72 72 TRP N N 65 129.982 129.982 128.134 1.848 17827
6347 1 13 . 1 1 72 72 TRP HA H 65 4.980 4.980 5.046 -0.066 17827
6348 1 13 . 1 1 72 72 TRP C C 65 174.335 174.335 175.779 -1.444 17827
6349 1 13 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.676 -2.236 17827
6350 1 13 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.140 0.350 17827
6351 1 13 . 1 1 72 72 TRP H H 65 8.277 8.277 9.035 -0.758 17827
6352 1 13 . 1 1 73 73 GLU N N 66 129.112 129.112 123.954 5.158 17827
6353 1 13 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.824 -0.524 17827
6354 1 13 . 1 1 73 73 GLU C C 66 178.595 178.595 177.581 1.014 17827
6355 1 13 . 1 1 73 73 GLU CA C 66 59.920 59.920 57.916 2.004 17827
6356 1 13 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.079 -0.019 17827
6357 1 13 . 1 1 73 73 GLU H H 66 8.969 8.969 8.125 0.844 17827
6358 1 13 . 1 1 74 74 LYS N N 67 117.492 117.492 119.429 -1.937 17827
6359 1 13 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.613 0.089 17827
6360 1 13 . 1 1 74 74 LYS C C 67 176.361 176.361 176.736 -0.375 17827
6361 1 13 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.340 0.320 17827
6362 1 13 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.179 0.841 17827
6363 1 13 . 1 1 74 74 LYS H H 67 7.860 7.860 7.673 0.187 17827
6364 1 13 . 1 1 75 75 LYS N N 68 121.233 121.233 113.708 7.525 17827
6365 1 13 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.285 -0.350 17827
6366 1 13 . 1 1 75 75 LYS C C 68 174.183 174.183 175.577 -1.394 17827
6367 1 13 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.799 -1.399 17827
6368 1 13 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.623 -1.423 17827
6369 1 13 . 1 1 75 75 LYS H H 68 7.500 7.500 6.883 0.617 17827
6370 1 13 . 1 1 76 76 ARG N N 69 121.125 121.125 118.090 3.035 17827
6371 1 13 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.334 -1.444 17827
6372 1 13 . 1 1 76 76 ARG C C 69 173.984 173.984 175.714 -1.730 17827
6373 1 13 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.191 -0.875 17827
6374 1 13 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.597 -0.507 17827
6375 1 13 . 1 1 76 76 ARG H H 69 7.500 7.500 7.716 -0.216 17827
6376 1 13 . 1 1 77 77 THR N N 70 110.478 110.478 115.965 -5.487 17827
6377 1 13 . 1 1 77 77 THR HA H 70 4.650 4.650 4.231 0.419 17827
6378 1 13 . 1 1 77 77 THR C C 70 171.846 171.846 172.509 -0.663 17827
6379 1 13 . 1 1 77 77 THR CA C 70 61.630 61.630 61.136 0.494 17827
6380 1 13 . 1 1 77 77 THR CB C 70 72.210 72.210 70.592 1.618 17827
6381 1 13 . 1 1 77 77 THR H H 70 6.280 6.280 8.588 -2.308 17827
6382 1 13 . 1 1 78 78 TRP N N 71 127.244 127.244 124.574 2.670 17827
6383 1 13 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.262 -0.512 17827
6384 1 13 . 1 1 78 78 TRP C C 71 177.303 177.303 176.200 1.103 17827
6385 1 13 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.956 1.284 17827
6386 1 13 . 1 1 78 78 TRP CB C 71 30.500 30.500 29.919 0.581 17827
6387 1 13 . 1 1 78 78 TRP H H 71 8.795 8.795 7.392 1.403 17827
6388 1 13 . 1 1 79 79 LEU N N 72 125.202 125.202 122.333 2.869 17827
6389 1 13 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.549 -0.049 17827
6390 1 13 . 1 1 79 79 LEU C C 72 175.667 175.667 176.764 -1.097 17827
6391 1 13 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.237 -1.727 17827
6392 1 13 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.876 -3.636 17827
6393 1 13 . 1 1 79 79 LEU H H 72 9.175 9.175 8.070 1.105 17827
6394 1 13 . 1 1 80 80 LEU N N 73 119.170 119.170 124.393 -5.223 17827
6395 1 13 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.484 -0.104 17827
6396 1 13 . 1 1 80 80 LEU C C 73 178.139 178.139 177.139 1.000 17827
6397 1 13 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.101 -0.401 17827
6398 1 13 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.135 0.035 17827
6399 1 13 . 1 1 80 80 LEU H H 73 7.280 7.280 8.578 -1.298 17827
6400 1 13 . 1 1 81 81 LYS N N 74 119.766 119.766 119.412 0.354 17827
6401 1 13 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.228 0.207 17827
6402 1 13 . 1 1 81 81 LYS C C 74 176.601 176.601 176.237 0.364 17827
6403 1 13 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.770 -2.111 17827
6404 1 13 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.627 -4.087 17827
6405 1 13 . 1 1 81 81 LYS H H 74 7.865 7.865 7.968 -0.103 17827
6406 1 13 . 1 1 82 82 THR N N 75 115.636 115.636 115.823 -0.187 17827
6407 1 13 . 1 1 82 82 THR HA H 75 3.800 3.800 4.389 -0.589 17827
6408 1 13 . 1 1 82 82 THR C C 75 174.806 174.806 175.730 -0.924 17827
6409 1 13 . 1 1 82 82 THR CA C 75 64.650 64.650 64.745 -0.095 17827
6410 1 13 . 1 1 82 82 THR CB C 75 68.260 68.260 69.257 -0.997 17827
6411 1 13 . 1 1 82 82 THR H H 75 7.910 7.910 8.509 -0.599 17827
6412 1 13 . 1 1 83 83 HIS N N 76 116.767 116.767 120.058 -3.291 17827
6413 1 13 . 1 1 83 83 HIS C C 76 176.370 176.370 176.038 0.332 17827
6414 1 13 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.777 0.433 17827
6415 1 13 . 1 1 83 83 HIS H H 76 8.965 8.965 8.306 0.659 17827
6416 1 13 . 1 1 84 84 TRP N N 77 123.905 123.905 121.329 2.576 17827
6417 1 13 . 1 1 84 84 TRP C C 77 175.584 175.584 175.794 -0.210 17827
6418 1 13 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.596 2.794 17827
6419 1 13 . 1 1 84 84 TRP H H 77 7.635 7.635 8.406 -0.771 17827
6420 1 13 . 1 1 85 85 THR N N 78 108.440 108.440 116.244 -7.804 17827
6421 1 13 . 1 1 85 85 THR HA H 78 4.900 4.900 4.139 0.761 17827
6422 1 13 . 1 1 85 85 THR C C 78 175.691 175.691 176.107 -0.416 17827
6423 1 13 . 1 1 85 85 THR CA C 78 59.500 59.500 63.848 -4.348 17827
6424 1 13 . 1 1 85 85 THR CB C 78 70.600 70.600 69.413 1.187 17827
6425 1 13 . 1 1 85 85 THR H H 78 7.030 7.030 8.234 -1.204 17827
6426 1 13 . 1 1 86 86 LEU N N 79 119.766 119.766 118.612 1.154 17827
6427 1 13 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.386 -0.346 17827
6428 1 13 . 1 1 86 86 LEU C C 79 179.734 179.734 178.415 1.319 17827
6429 1 13 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.424 0.326 17827
6430 1 13 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.391 -0.941 17827
6431 1 13 . 1 1 86 86 LEU H H 79 8.045 8.045 8.252 -0.207 17827
6432 1 13 . 1 1 87 87 ASP N N 80 118.407 118.407 120.324 -1.917 17827
6433 1 13 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.378 0.062 17827
6434 1 13 . 1 1 87 87 ASP C C 80 179.152 179.152 177.938 1.214 17827
6435 1 13 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.871 0.449 17827
6436 1 13 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.363 -0.043 17827
6437 1 13 . 1 1 87 87 ASP H H 80 8.935 8.935 8.674 0.261 17827
6438 1 13 . 1 1 88 88 LYS N N 81 123.300 123.300 118.975 4.325 17827
6439 1 13 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.604 0.096 17827
6440 1 13 . 1 1 88 88 LYS C C 81 178.721 178.721 178.070 0.651 17827
6441 1 13 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.599 0.421 17827
6442 1 13 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.119 0.521 17827
6443 1 13 . 1 1 88 88 LYS H H 81 8.055 8.055 7.770 0.285 17827
6444 1 13 . 1 1 89 89 TYR N N 82 115.690 115.690 117.334 -1.644 17827
6445 1 13 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.883 -0.303 17827
6446 1 13 . 1 1 89 89 TYR C C 82 176.164 176.164 176.403 -0.239 17827
6447 1 13 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.266 1.484 17827
6448 1 13 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.565 1.185 17827
6449 1 13 . 1 1 89 89 TYR H H 82 7.730 7.730 7.571 0.159 17827
6450 1 13 . 1 1 90 90 GLY N N 83 108.212 108.212 106.230 1.982 17827
6451 1 13 . 1 1 90 90 GLY C C 83 174.555 174.555 174.250 0.305 17827
6452 1 13 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.840 0.670 17827
6453 1 13 . 1 1 90 90 GLY H H 83 8.030 8.030 7.808 0.222 17827
6454 1 13 . 1 1 91 91 ILE N N 84 122.960 122.960 120.810 2.150 17827
6455 1 13 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.151 -0.781 17827
6456 1 13 . 1 1 91 91 ILE C C 84 173.611 173.611 175.146 -1.535 17827
6457 1 13 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.640 0.060 17827
6458 1 13 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.228 -1.618 17827
6459 1 13 . 1 1 91 91 ILE H H 84 7.850 7.850 8.060 -0.210 17827
6460 1 13 . 1 1 92 92 GLN N N 85 125.429 125.429 125.087 0.342 17827
6461 1 13 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.871 0.009 17827
6462 1 13 . 1 1 92 92 GLN C C 85 174.756 174.756 175.234 -0.478 17827
6463 1 13 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.889 -1.169 17827
6464 1 13 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.549 0.601 17827
6465 1 13 . 1 1 92 92 GLN H H 85 7.700 7.700 8.145 -0.445 17827
6466 1 13 . 1 1 93 93 ALA N N 86 118.217 118.217 121.188 -2.971 17827
6467 1 13 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.341 -0.541 17827
6468 1 13 . 1 1 93 93 ALA C C 86 177.201 177.201 177.225 -0.024 17827
6469 1 13 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.457 0.623 17827
6470 1 13 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.819 -0.409 17827
6471 1 13 . 1 1 93 93 ALA H H 86 6.886 6.886 8.051 -1.165 17827
6472 1 13 . 1 1 94 94 ASP N N 87 113.647 113.647 116.601 -2.954 17827
6473 1 13 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.563 -0.143 17827
6474 1 13 . 1 1 94 94 ASP C C 87 176.218 176.218 175.027 1.191 17827
6475 1 13 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.875 0.185 17827
6476 1 13 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.030 -1.430 17827
6477 1 13 . 1 1 94 94 ASP H H 87 8.223 8.223 8.158 0.065 17827
6478 1 13 . 1 1 95 95 ALA N N 88 124.145 124.145 123.282 0.863 17827
6479 1 13 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.364 -0.058 17827
6480 1 13 . 1 1 95 95 ALA C C 88 176.630 176.630 176.279 0.351 17827
6481 1 13 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.579 1.741 17827
6482 1 13 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.533 0.487 17827
6483 1 13 . 1 1 95 95 ALA H H 88 7.941 7.941 7.112 0.829 17827
6484 1 13 . 1 1 96 96 LYS N N 89 120.897 120.897 126.276 -5.379 17827
6485 1 13 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.720 0.106 17827
6486 1 13 . 1 1 96 96 LYS C C 89 176.161 176.161 176.229 -0.068 17827
6487 1 13 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.119 -0.383 17827
6488 1 13 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.227 0.163 17827
6489 1 13 . 1 1 96 96 LYS H H 89 8.500 8.500 8.467 0.033 17827
6490 1 13 . 1 1 97 97 LEU N N 90 122.960 122.960 124.412 -1.452 17827
6491 1 13 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.559 0.516 17827
6492 1 13 . 1 1 97 97 LEU C C 90 176.394 176.394 176.928 -0.534 17827
6493 1 13 . 1 1 97 97 LEU CA C 90 53.060 53.060 55.007 -1.947 17827
6494 1 13 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.079 1.771 17827
6495 1 13 . 1 1 97 97 LEU H H 90 8.566 8.566 8.913 -0.347 17827
6496 1 13 . 1 1 98 98 GLN N N 91 119.538 119.538 116.347 3.191 17827
6497 1 13 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.904 0.806 17827
6498 1 13 . 1 1 98 98 GLN C C 91 174.144 174.144 174.710 -0.566 17827
6499 1 13 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.792 -0.432 17827
6500 1 13 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.892 -0.602 17827
6501 1 13 . 1 1 98 98 GLN H H 91 9.060 9.060 8.033 1.027 17827
6502 1 13 . 1 1 99 99 PHE N N 92 125.674 125.674 120.423 5.251 17827
6503 1 13 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.385 0.315 17827
6504 1 13 . 1 1 99 99 PHE C C 92 174.537 174.537 174.046 0.491 17827
6505 1 13 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.616 -2.426 17827
6506 1 13 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.751 -2.671 17827
6507 1 13 . 1 1 99 99 PHE H H 92 9.290 9.290 9.728 -0.438 17827
6508 1 13 . 1 1 100 100 THR N N 93 124.543 124.543 118.672 5.871 17827
6509 1 13 . 1 1 100 100 THR HA H 93 5.100 5.100 4.895 0.205 17827
6510 1 13 . 1 1 100 100 THR C C 93 180.164 180.164 171.997 8.167 17827
6511 1 13 . 1 1 100 100 THR CA C 93 58.830 58.830 59.132 -0.302 17827
6512 1 13 . 1 1 100 100 THR CB C 93 73.610 73.610 70.979 2.631 17827
6513 1 13 . 1 1 100 100 THR H H 93 8.945 8.945 8.683 0.262 17827
6514 1 14 . 1 1 9 9 ALA N N 2 124.336 124.336 123.512 0.824 17827
6515 1 14 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.702 -0.492 17827
6516 1 14 . 1 1 9 9 ALA C C 2 177.598 177.598 176.368 1.230 17827
6517 1 14 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.950 0.490 17827
6518 1 14 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.241 -0.211 17827
6519 1 14 . 1 1 9 9 ALA H H 2 8.018 8.018 8.251 -0.233 17827
6520 1 14 . 1 1 10 10 LEU N N 3 121.125 121.125 120.346 0.779 17827
6521 1 14 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.195 0.015 17827
6522 1 14 . 1 1 10 10 LEU C C 3 177.094 177.094 176.435 0.659 17827
6523 1 14 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.570 -0.250 17827
6524 1 14 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.020 0.150 17827
6525 1 14 . 1 1 10 10 LEU H H 3 8.057 8.057 7.665 0.392 17827
6526 1 14 . 1 1 11 11 ASP N N 4 119.766 119.766 122.790 -3.024 17827
6527 1 14 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.668 -0.193 17827
6528 1 14 . 1 1 11 11 ASP C C 4 176.509 176.509 175.284 1.225 17827
6529 1 14 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.437 0.113 17827
6530 1 14 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.984 -1.034 17827
6531 1 14 . 1 1 11 11 ASP H H 4 8.145 8.145 8.724 -0.579 17827
6532 1 14 . 1 1 12 12 GLY N N 5 108.440 108.440 108.121 0.319 17827
6533 1 14 . 1 1 12 12 GLY C C 5 173.692 173.692 174.976 -1.284 17827
6534 1 14 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.627 0.684 17827
6535 1 14 . 1 1 12 12 GLY H H 5 8.110 8.110 8.179 -0.069 17827
6536 1 14 . 1 1 13 13 ILE N N 6 119.766 119.766 120.001 -0.235 17827
6537 1 14 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.601 0.499 17827
6538 1 14 . 1 1 13 13 ILE C C 6 175.525 175.525 176.901 -1.376 17827
6539 1 14 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.963 -3.253 17827
6540 1 14 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.989 0.441 17827
6541 1 14 . 1 1 13 13 ILE H H 6 7.790 7.790 8.015 -0.225 17827
6542 1 14 . 1 1 14 14 ARG N N 7 125.657 125.657 118.367 7.290 17827
6543 1 14 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.423 -0.213 17827
6544 1 14 . 1 1 14 14 ARG C C 7 175.810 175.810 176.574 -0.764 17827
6545 1 14 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.217 -1.577 17827
6546 1 14 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.536 -0.546 17827
6547 1 14 . 1 1 14 14 ARG H H 7 8.410 8.410 8.033 0.377 17827
6548 1 14 . 1 1 15 15 MET N N 8 123.598 123.598 114.577 9.021 17827
6549 1 14 . 1 1 15 15 MET HA H 8 4.210 4.210 4.934 -0.724 17827
6550 1 14 . 1 1 15 15 MET C C 8 174.950 174.950 175.094 -0.144 17827
6551 1 14 . 1 1 15 15 MET CA C 8 55.330 55.330 56.932 -1.603 17827
6552 1 14 . 1 1 15 15 MET CB C 8 31.730 31.730 30.913 0.817 17827
6553 1 14 . 1 1 15 15 MET H H 8 8.495 8.495 7.826 0.669 17827
6554 1 14 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.216 0.074 17827
6555 1 14 . 1 1 16 16 PRO C C 9 176.228 176.228 176.527 -0.299 17827
6556 1 14 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.887 -2.517 17827
6557 1 14 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.259 0.560 17827
6558 1 14 . 1 1 17 17 ASP N N 10 117.952 117.952 112.505 5.447 17827
6559 1 14 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.607 -0.187 17827
6560 1 14 . 1 1 17 17 ASP C C 10 176.714 176.714 177.402 -0.688 17827
6561 1 14 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.775 -0.645 17827
6562 1 14 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.373 -0.943 17827
6563 1 14 . 1 1 17 17 ASP H H 10 8.076 8.076 8.374 -0.298 17827
6564 1 14 . 1 1 18 18 GLY N N 11 108.663 108.663 107.287 1.376 17827
6565 1 14 . 1 1 18 18 GLY C C 11 173.819 173.819 175.202 -1.383 17827
6566 1 14 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.559 -0.259 17827
6567 1 14 . 1 1 18 18 GLY H H 11 8.255 8.255 8.426 -0.171 17827
6568 1 14 . 1 1 19 19 CYS N N 12 118.179 118.179 120.972 -2.793 17827
6569 1 14 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.207 0.343 17827
6570 1 14 . 1 1 19 19 CYS C C 12 174.073 174.073 174.386 -0.313 17827
6571 1 14 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.501 -3.081 17827
6572 1 14 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.152 1.248 17827
6573 1 14 . 1 1 19 19 CYS H H 12 7.850 7.850 8.469 -0.619 17827
6574 1 14 . 1 1 20 20 TYR N N 13 120.897 120.897 118.192 2.705 17827
6575 1 14 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.574 -0.024 17827
6576 1 14 . 1 1 20 20 TYR C C 13 176.748 176.748 175.265 1.483 17827
6577 1 14 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.179 1.291 17827
6578 1 14 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.953 -1.743 17827
6579 1 14 . 1 1 20 20 TYR H H 13 8.550 8.550 7.781 0.769 17827
6580 1 14 . 1 1 21 21 ALA N N 14 124.750 124.750 127.944 -3.194 17827
6581 1 14 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.077 0.113 17827
6582 1 14 . 1 1 21 21 ALA C C 14 177.181 177.181 177.565 -0.384 17827
6583 1 14 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.528 -0.998 17827
6584 1 14 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.131 -0.501 17827
6585 1 14 . 1 1 21 21 ALA H H 14 8.615 8.615 8.083 0.532 17827
6586 1 14 . 1 1 22 22 ASP N N 15 117.500 117.500 115.631 1.869 17827
6587 1 14 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.641 -0.161 17827
6588 1 14 . 1 1 22 22 ASP C C 15 176.708 176.708 176.812 -0.104 17827
6589 1 14 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.437 -0.937 17827
6590 1 14 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.160 -1.430 17827
6591 1 14 . 1 1 22 22 ASP H H 15 7.960 7.960 8.304 -0.344 17827
6592 1 14 . 1 1 23 23 GLY N N 16 108.891 108.891 108.134 0.757 17827
6593 1 14 . 1 1 23 23 GLY C C 16 174.373 174.373 173.737 0.636 17827
6594 1 14 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.944 -0.574 17827
6595 1 14 . 1 1 23 23 GLY H H 16 8.344 8.344 8.464 -0.120 17827
6596 1 14 . 1 1 24 24 THR N N 17 110.929 110.929 110.595 0.334 17827
6597 1 14 . 1 1 24 24 THR HA H 17 4.640 4.640 3.947 0.693 17827
6598 1 14 . 1 1 24 24 THR C C 17 173.620 173.620 173.243 0.377 17827
6599 1 14 . 1 1 24 24 THR CA C 17 60.540 60.540 61.378 -0.838 17827
6600 1 14 . 1 1 24 24 THR CB C 17 72.100 72.100 69.945 2.155 17827
6601 1 14 . 1 1 24 24 THR H H 17 7.850 7.850 7.360 0.490 17827
6602 1 14 . 1 1 25 25 TRP N N 18 117.728 117.728 116.948 0.780 17827
6603 1 14 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.955 -0.010 17827
6604 1 14 . 1 1 25 25 TRP C C 18 174.164 174.164 173.914 0.250 17827
6605 1 14 . 1 1 25 25 TRP CA C 18 54.620 54.620 55.955 -1.335 17827
6606 1 14 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.353 0.297 17827
6607 1 14 . 1 1 25 25 TRP H H 18 8.640 8.640 7.610 1.030 17827
6608 1 14 . 1 1 26 26 GLU N N 19 117.728 117.728 118.345 -0.617 17827
6609 1 14 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.835 0.016 17827
6610 1 14 . 1 1 26 26 GLU C C 19 174.786 174.786 174.584 0.202 17827
6611 1 14 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.796 0.914 17827
6612 1 14 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.397 -0.897 17827
6613 1 14 . 1 1 26 26 GLU H H 19 8.744 8.744 8.482 0.262 17827
6614 1 14 . 1 1 27 27 LEU N N 20 126.668 126.668 119.450 7.218 17827
6615 1 14 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.757 0.123 17827
6616 1 14 . 1 1 27 27 LEU C C 20 175.123 175.123 175.348 -0.225 17827
6617 1 14 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.599 -0.347 17827
6618 1 14 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.831 -1.551 17827
6619 1 14 . 1 1 27 27 LEU H H 20 8.980 8.980 8.725 0.255 17827
6620 1 14 . 1 1 28 28 SER N N 21 121.804 121.804 117.428 4.376 17827
6621 1 14 . 1 1 28 28 SER HA H 21 4.894 4.894 5.060 -0.166 17827
6622 1 14 . 1 1 28 28 SER C C 21 173.483 173.483 172.824 0.659 17827
6623 1 14 . 1 1 28 28 SER CA C 21 57.880 57.880 56.771 1.109 17827
6624 1 14 . 1 1 28 28 SER CB C 21 63.920 63.920 64.541 -0.621 17827
6625 1 14 . 1 1 28 28 SER H H 21 8.785 8.785 8.480 0.305 17827
6626 1 14 . 1 1 29 29 VAL N N 22 125.881 125.881 122.402 3.479 17827
6627 1 14 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.421 -0.051 17827
6628 1 14 . 1 1 29 29 VAL C C 22 173.953 173.953 174.842 -0.889 17827
6629 1 14 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.043 0.397 17827
6630 1 14 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.522 -1.172 17827
6631 1 14 . 1 1 29 29 VAL H H 22 8.865 8.865 8.283 0.582 17827
6632 1 14 . 1 1 30 30 HIS N N 23 126.560 126.560 122.091 4.469 17827
6633 1 14 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.737 0.483 17827
6634 1 14 . 1 1 30 30 HIS C C 23 174.596 174.596 173.793 0.803 17827
6635 1 14 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.571 -0.321 17827
6636 1 14 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.842 -3.292 17827
6637 1 14 . 1 1 30 30 HIS H H 23 8.810 8.810 8.424 0.386 17827
6638 1 14 . 1 1 31 31 VAL N N 24 130.587 130.587 123.550 7.037 17827
6639 1 14 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.814 0.416 17827
6640 1 14 . 1 1 31 31 VAL C C 24 177.426 177.426 175.826 1.600 17827
6641 1 14 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.288 -5.758 17827
6642 1 14 . 1 1 31 31 VAL CB C 24 31.040 31.040 32.183 -1.143 17827
6643 1 14 . 1 1 31 31 VAL H H 24 9.043 9.043 8.807 0.236 17827
6644 1 14 . 1 1 32 32 THR N N 25 122.484 122.484 122.281 0.203 17827
6645 1 14 . 1 1 32 32 THR HA H 25 3.970 3.970 4.545 -0.575 17827
6646 1 14 . 1 1 32 32 THR C C 25 177.437 177.437 175.854 1.583 17827
6647 1 14 . 1 1 32 32 THR CA C 25 66.470 66.470 64.328 2.142 17827
6648 1 14 . 1 1 32 32 THR CB C 25 68.220 68.220 69.564 -1.344 17827
6649 1 14 . 1 1 32 32 THR H H 25 8.245 8.245 8.689 -0.444 17827
6650 1 14 . 1 1 34 34 VAL N N 27 114.090 114.090 115.877 -1.787 17827
6651 1 14 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.231 0.269 17827
6652 1 14 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.336 -8.116 17827
6653 1 14 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.361 -6.301 17827
6654 1 14 . 1 1 34 34 VAL H H 27 6.977 6.977 7.517 -0.540 17827
6655 1 14 . 1 1 35 35 ASN N N 28 116.829 116.829 116.863 -0.034 17827
6656 1 14 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.552 -0.253 17827
6657 1 14 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.307 -0.657 17827
6658 1 14 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.008 -0.898 17827
6659 1 14 . 1 1 35 35 ASN H H 28 7.897 7.897 8.044 -0.147 17827
6660 1 14 . 1 1 36 36 ARG N N 29 114.310 114.310 115.858 -1.548 17827
6661 1 14 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.744 -0.044 17827
6662 1 14 . 1 1 36 36 ARG C C 29 173.347 173.347 173.785 -0.438 17827
6663 1 14 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.520 0.380 17827
6664 1 14 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.843 1.857 17827
6665 1 14 . 1 1 36 36 ARG H H 29 6.787 6.787 7.769 -0.982 17827
6666 1 14 . 1 1 37 37 ASP N N 30 124.071 124.071 118.016 6.055 17827
6667 1 14 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.657 0.818 17827
6668 1 14 . 1 1 37 37 ASP C C 30 175.354 175.354 174.563 0.791 17827
6669 1 14 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.143 0.517 17827
6670 1 14 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.419 -0.159 17827
6671 1 14 . 1 1 37 37 ASP H H 30 8.760 8.760 8.354 0.406 17827
6672 1 14 . 1 1 38 38 VAL N N 31 123.300 123.300 119.041 4.259 17827
6673 1 14 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827
6674 1 14 . 1 1 38 38 VAL C C 31 174.203 174.203 174.332 -0.129 17827
6675 1 14 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.133 0.568 17827
6676 1 14 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.396 -1.776 17827
6677 1 14 . 1 1 38 38 VAL H H 31 9.187 9.187 7.756 1.431 17827
6678 1 14 . 1 1 39 39 THR N N 32 119.766 119.766 113.522 6.244 17827
6679 1 14 . 1 1 39 39 THR HA H 32 5.095 5.095 4.875 0.220 17827
6680 1 14 . 1 1 39 39 THR C C 32 173.547 173.547 173.153 0.394 17827
6681 1 14 . 1 1 39 39 THR CA C 32 60.550 60.550 60.319 0.231 17827
6682 1 14 . 1 1 39 39 THR CB C 32 70.170 70.170 71.097 -0.927 17827
6683 1 14 . 1 1 39 39 THR H H 32 8.360 8.360 8.071 0.289 17827
6684 1 14 . 1 1 40 40 LEU N N 33 124.522 124.522 122.761 1.761 17827
6685 1 14 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.629 -0.039 17827
6686 1 14 . 1 1 40 40 LEU C C 33 174.691 174.691 175.950 -1.259 17827
6687 1 14 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.861 -1.281 17827
6688 1 14 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.491 0.919 17827
6689 1 14 . 1 1 40 40 LEU H H 33 8.750 8.750 8.149 0.601 17827
6690 1 14 . 1 1 41 41 ARG N N 34 122.712 122.712 124.480 -1.768 17827
6691 1 14 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.688 -0.008 17827
6692 1 14 . 1 1 41 41 ARG C C 34 175.700 175.700 174.438 1.262 17827
6693 1 14 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.015 0.405 17827
6694 1 14 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.520 -0.020 17827
6695 1 14 . 1 1 41 41 ARG H H 34 8.345 8.345 8.736 -0.391 17827
6696 1 14 . 1 1 42 42 VAL N N 35 117.728 117.728 118.435 -0.707 17827
6697 1 14 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.459 0.006 17827
6698 1 14 . 1 1 42 42 VAL C C 35 173.184 173.184 173.605 -0.421 17827
6699 1 14 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.647 -0.977 17827
6700 1 14 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.550 0.500 17827
6701 1 14 . 1 1 42 42 VAL H H 35 8.640 8.640 7.796 0.844 17827
6702 1 14 . 1 1 43 43 THR N N 36 104.359 104.359 109.100 -4.741 17827
6703 1 14 . 1 1 43 43 THR HA H 36 4.660 4.660 2.397 2.263 17827
6704 1 14 . 1 1 43 43 THR C C 36 174.862 174.862 175.509 -0.647 17827
6705 1 14 . 1 1 43 43 THR CA C 36 59.010 59.010 59.348 -0.338 17827
6706 1 14 . 1 1 43 43 THR CB C 36 71.570 71.570 71.321 0.249 17827
6707 1 14 . 1 1 43 43 THR H H 36 6.220 6.220 7.664 -1.444 17827
6708 1 14 . 1 1 44 44 GLY N N 37 105.946 105.946 107.265 -1.319 17827
6709 1 14 . 1 1 44 44 GLY C C 37 173.394 173.394 174.650 -1.256 17827
6710 1 14 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.214 -0.384 17827
6711 1 14 . 1 1 44 44 GLY H H 37 9.160 9.160 8.617 0.543 17827
6712 1 14 . 1 1 45 45 GLU N N 38 113.875 113.875 117.388 -3.513 17827
6713 1 14 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.314 -0.024 17827
6714 1 14 . 1 1 45 45 GLU C C 38 176.167 176.167 176.400 -0.233 17827
6715 1 14 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.952 -0.452 17827
6716 1 14 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.884 1.066 17827
6717 1 14 . 1 1 45 45 GLU H H 38 7.500 7.500 7.273 0.227 17827
6718 1 14 . 1 1 46 46 VAL N N 39 121.577 121.577 122.183 -0.606 17827
6719 1 14 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.021 -0.201 17827
6720 1 14 . 1 1 46 46 VAL C C 39 174.651 174.651 175.209 -0.558 17827
6721 1 14 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.055 1.865 17827
6722 1 14 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.709 -1.119 17827
6723 1 14 . 1 1 46 46 VAL H H 39 7.260 7.260 7.703 -0.443 17827
6724 1 14 . 1 1 47 47 HIS N N 40 123.391 123.391 125.692 -2.301 17827
6725 1 14 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.588 0.624 17827
6726 1 14 . 1 1 47 47 HIS C C 40 177.440 177.440 176.463 0.977 17827
6727 1 14 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.221 -1.561 17827
6728 1 14 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.126 -0.216 17827
6729 1 14 . 1 1 47 47 HIS H H 40 8.285 8.285 8.508 -0.223 17827
6730 1 14 . 1 1 48 48 ILE N N 41 124.071 124.071 124.585 -0.514 17827
6731 1 14 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.795 -0.265 17827
6732 1 14 . 1 1 48 48 ILE C C 41 178.941 178.941 177.770 1.171 17827
6733 1 14 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.343 -3.013 17827
6734 1 14 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.916 -3.686 17827
6735 1 14 . 1 1 48 48 ILE H H 41 8.863 8.863 8.555 0.308 17827
6736 1 14 . 1 1 49 49 GLY N N 42 106.853 106.853 104.580 2.273 17827
6737 1 14 . 1 1 49 49 GLY C C 42 175.669 175.669 175.470 0.199 17827
6738 1 14 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.239 -0.918 17827
6739 1 14 . 1 1 49 49 GLY H H 42 9.720 9.720 8.704 1.016 17827
6740 1 14 . 1 1 50 50 GLY N N 43 109.571 109.571 109.377 0.194 17827
6741 1 14 . 1 1 50 50 GLY C C 43 175.847 175.847 175.404 0.443 17827
6742 1 14 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.488 1.512 17827
6743 1 14 . 1 1 50 50 GLY H H 43 6.950 6.950 8.244 -1.294 17827
6744 1 14 . 1 1 51 51 VAL N N 44 123.163 123.163 124.614 -1.451 17827
6745 1 14 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.525 -0.410 17827
6746 1 14 . 1 1 51 51 VAL C C 44 176.804 176.804 177.953 -1.149 17827
6747 1 14 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.195 -0.535 17827
6748 1 14 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.998 -1.268 17827
6749 1 14 . 1 1 51 51 VAL H H 44 7.860 7.860 8.749 -0.889 17827
6750 1 14 . 1 1 52 52 MET N N 45 115.913 115.913 117.301 -1.388 17827
6751 1 14 . 1 1 52 52 MET HA H 45 3.410 3.410 4.173 -0.763 17827
6752 1 14 . 1 1 52 52 MET C C 45 176.881 176.881 178.157 -1.276 17827
6753 1 14 . 1 1 52 52 MET CA C 45 59.830 59.830 59.397 0.433 17827
6754 1 14 . 1 1 52 52 MET CB C 45 32.310 32.310 31.824 0.486 17827
6755 1 14 . 1 1 52 52 MET H H 45 7.940 7.940 7.735 0.205 17827
6756 1 14 . 1 1 53 53 LEU N N 46 118.291 118.291 121.421 -3.130 17827
6757 1 14 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.167 -0.227 17827
6758 1 14 . 1 1 53 53 LEU C C 46 179.178 179.178 179.432 -0.254 17827
6759 1 14 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.178 0.322 17827
6760 1 14 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.189 0.741 17827
6761 1 14 . 1 1 53 53 LEU H H 46 7.550 7.550 7.801 -0.251 17827
6762 1 14 . 1 1 54 54 LYS N N 47 118.142 118.142 119.328 -1.186 17827
6763 1 14 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.268 -0.398 17827
6764 1 14 . 1 1 54 54 LYS C C 47 178.616 178.616 179.271 -0.655 17827
6765 1 14 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.205 -1.225 17827
6766 1 14 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.109 0.211 17827
6767 1 14 . 1 1 54 54 LYS H H 47 7.665 7.665 8.778 -1.113 17827
6768 1 14 . 1 1 55 55 LEU N N 48 119.385 119.385 120.435 -1.050 17827
6769 1 14 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.297 -0.727 17827
6770 1 14 . 1 1 55 55 LEU C C 48 177.405 177.405 177.830 -0.425 17827
6771 1 14 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.777 0.013 17827
6772 1 14 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.107 -0.517 17827
6773 1 14 . 1 1 55 55 LEU H H 48 7.975 7.975 7.630 0.345 17827
6774 1 14 . 1 1 56 56 VAL N N 49 116.141 116.141 120.476 -4.335 17827
6775 1 14 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.570 -0.580 17827
6776 1 14 . 1 1 56 56 VAL C C 49 178.564 178.564 178.476 0.088 17827
6777 1 14 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.003 -0.693 17827
6778 1 14 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.903 -0.603 17827
6779 1 14 . 1 1 56 56 VAL H H 49 7.615 7.615 8.987 -1.372 17827
6780 1 14 . 1 1 57 57 GLU N N 50 118.631 118.631 118.253 0.378 17827
6781 1 14 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.104 -0.139 17827
6782 1 14 . 1 1 57 57 GLU C C 50 178.030 178.030 179.109 -1.079 17827
6783 1 14 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.113 -0.613 17827
6784 1 14 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.387 0.223 17827
6785 1 14 . 1 1 57 57 GLU H H 50 7.575 7.575 8.946 -1.371 17827
6786 1 14 . 1 1 58 58 LYS N N 51 117.053 117.053 119.283 -2.230 17827
6787 1 14 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.114 0.016 17827
6788 1 14 . 1 1 58 58 LYS C C 51 176.956 176.956 178.098 -1.142 17827
6789 1 14 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.817 -2.157 17827
6790 1 14 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.138 -0.478 17827
6791 1 14 . 1 1 58 58 LYS H H 51 7.490 7.490 7.483 0.007 17827
6792 1 14 . 1 1 59 59 LEU N N 52 119.460 119.460 119.843 -0.383 17827
6793 1 14 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.499 -0.377 17827
6794 1 14 . 1 1 59 59 LEU C C 52 176.645 176.645 174.964 1.681 17827
6795 1 14 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.515 3.145 17827
6796 1 14 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.406 1.294 17827
6797 1 14 . 1 1 59 59 LEU H H 52 7.470 7.470 7.912 -0.442 17827
6798 1 14 . 1 1 62 62 LYS C C 55 175.670 175.670 175.213 0.457 17827
6799 1 14 . 1 1 63 63 LYS N N 56 122.430 122.430 118.437 3.993 17827
6800 1 14 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.157 -0.127 17827
6801 1 14 . 1 1 63 63 LYS C C 56 172.850 172.850 175.591 -2.741 17827
6802 1 14 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.365 -1.835 17827
6803 1 14 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.264 1.176 17827
6804 1 14 . 1 1 63 63 LYS H H 56 7.245 7.245 7.661 -0.416 17827
6805 1 14 . 1 1 64 64 ASP N N 57 118.867 118.867 122.661 -3.794 17827
6806 1 14 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.097 0.433 17827
6807 1 14 . 1 1 64 64 ASP C C 57 176.710 176.710 175.309 1.401 17827
6808 1 14 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.136 -0.636 17827
6809 1 14 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.004 -1.684 17827
6810 1 14 . 1 1 64 64 ASP H H 57 7.867 7.867 8.281 -0.414 17827
6811 1 14 . 1 1 65 65 TRP N N 58 128.827 128.827 121.604 7.223 17827
6812 1 14 . 1 1 65 65 TRP HA H 58 4.540 4.540 3.765 0.775 17827
6813 1 14 . 1 1 65 65 TRP C C 58 178.390 178.390 177.064 1.326 17827
6814 1 14 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.881 -5.021 17827
6815 1 14 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.822 0.598 17827
6816 1 14 . 1 1 65 65 TRP H H 58 8.790 8.790 7.888 0.902 17827
6817 1 14 . 1 1 66 66 SER N N 59 117.724 117.724 113.893 3.831 17827
6818 1 14 . 1 1 66 66 SER HA H 59 4.143 4.143 4.357 -0.214 17827
6819 1 14 . 1 1 66 66 SER C C 59 174.471 174.471 175.019 -0.548 17827
6820 1 14 . 1 1 66 66 SER CA C 59 62.350 62.350 59.989 2.361 17827
6821 1 14 . 1 1 66 66 SER CB C 59 63.110 63.110 62.758 0.352 17827
6822 1 14 . 1 1 66 66 SER H H 59 8.637 8.637 8.194 0.443 17827
6823 1 14 . 1 1 67 67 ASP N N 60 121.042 121.042 118.368 2.674 17827
6824 1 14 . 1 1 67 67 ASP C C 60 176.206 176.206 175.669 0.537 17827
6825 1 14 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.952 0.608 17827
6826 1 14 . 1 1 67 67 ASP H H 60 8.895 8.895 7.886 1.009 17827
6827 1 14 . 1 1 68 68 HIS N N 61 121.519 121.519 118.608 2.911 17827
6828 1 14 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.520 -0.030 17827
6829 1 14 . 1 1 68 68 HIS C C 61 174.546 174.546 173.869 0.677 17827
6830 1 14 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.539 3.401 17827
6831 1 14 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.528 8.882 17827
6832 1 14 . 1 1 68 68 HIS H H 61 7.958 7.958 7.520 0.438 17827
6833 1 14 . 1 1 69 69 ALA N N 62 122.256 122.256 119.528 2.728 17827
6834 1 14 . 1 1 69 69 ALA C C 62 175.294 175.294 174.549 0.745 17827
6835 1 14 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.409 0.061 17827
6836 1 14 . 1 1 69 69 ALA H H 62 8.575 8.575 8.519 0.056 17827
6837 1 14 . 1 1 70 70 LEU N N 63 118.904 118.904 119.581 -0.677 17827
6838 1 14 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.929 0.725 17827
6839 1 14 . 1 1 70 70 LEU C C 63 174.445 174.445 176.151 -1.706 17827
6840 1 14 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.063 0.867 17827
6841 1 14 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.770 1.530 17827
6842 1 14 . 1 1 70 70 LEU H H 63 9.150 9.150 8.672 0.478 17827
6843 1 14 . 1 1 71 71 TRP N N 64 125.367 125.367 127.415 -2.048 17827
6844 1 14 . 1 1 71 71 TRP C C 64 174.010 174.010 174.337 -0.327 17827
6845 1 14 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.142 2.068 17827
6846 1 14 . 1 1 71 71 TRP H H 64 9.590 9.590 8.413 1.177 17827
6847 1 14 . 1 1 72 72 TRP N N 65 129.982 129.982 130.454 -0.472 17827
6848 1 14 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.420 0.560 17827
6849 1 14 . 1 1 72 72 TRP C C 65 174.335 174.335 175.680 -1.345 17827
6850 1 14 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.533 -3.093 17827
6851 1 14 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.163 0.327 17827
6852 1 14 . 1 1 72 72 TRP H H 65 8.277 8.277 8.446 -0.169 17827
6853 1 14 . 1 1 73 73 GLU N N 66 129.112 129.112 125.813 3.299 17827
6854 1 14 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.407 -0.107 17827
6855 1 14 . 1 1 73 73 GLU C C 66 178.595 178.595 176.883 1.712 17827
6856 1 14 . 1 1 73 73 GLU CA C 66 59.920 59.920 57.989 1.931 17827
6857 1 14 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.014 0.046 17827
6858 1 14 . 1 1 73 73 GLU H H 66 8.969 8.969 8.378 0.591 17827
6859 1 14 . 1 1 74 74 LYS N N 67 117.492 117.492 119.625 -2.133 17827
6860 1 14 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.811 -0.109 17827
6861 1 14 . 1 1 74 74 LYS C C 67 176.361 176.361 176.769 -0.408 17827
6862 1 14 . 1 1 74 74 LYS CA C 67 58.660 58.660 59.093 -0.433 17827
6863 1 14 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.986 0.034 17827
6864 1 14 . 1 1 74 74 LYS H H 67 7.860 7.860 8.166 -0.306 17827
6865 1 14 . 1 1 75 75 LYS N N 68 121.233 121.233 115.840 5.393 17827
6866 1 14 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.020 -0.085 17827
6867 1 14 . 1 1 75 75 LYS C C 68 174.183 174.183 175.362 -1.179 17827
6868 1 14 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.407 -2.007 17827
6869 1 14 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.475 -0.275 17827
6870 1 14 . 1 1 75 75 LYS H H 68 7.500 7.500 7.240 0.260 17827
6871 1 14 . 1 1 76 76 ARG N N 69 121.125 121.125 117.352 3.773 17827
6872 1 14 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.328 -1.438 17827
6873 1 14 . 1 1 76 76 ARG C C 69 173.984 173.984 175.006 -1.022 17827
6874 1 14 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.900 -0.584 17827
6875 1 14 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.670 0.420 17827
6876 1 14 . 1 1 76 76 ARG H H 69 7.500 7.500 7.672 -0.172 17827
6877 1 14 . 1 1 77 77 THR N N 70 110.478 110.478 113.264 -2.786 17827
6878 1 14 . 1 1 77 77 THR HA H 70 4.650 4.650 3.930 0.720 17827
6879 1 14 . 1 1 77 77 THR C C 70 171.846 171.846 173.035 -1.189 17827
6880 1 14 . 1 1 77 77 THR CA C 70 61.630 61.630 60.102 1.528 17827
6881 1 14 . 1 1 77 77 THR CB C 70 72.210 72.210 70.317 1.893 17827
6882 1 14 . 1 1 77 77 THR H H 70 6.280 6.280 7.722 -1.442 17827
6883 1 14 . 1 1 78 78 TRP N N 71 127.244 127.244 126.114 1.130 17827
6884 1 14 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.490 -0.740 17827
6885 1 14 . 1 1 78 78 TRP C C 71 177.303 177.303 176.476 0.827 17827
6886 1 14 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.244 -0.004 17827
6887 1 14 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.452 0.048 17827
6888 1 14 . 1 1 78 78 TRP H H 71 8.795 8.795 8.118 0.677 17827
6889 1 14 . 1 1 79 79 LEU N N 72 125.202 125.202 121.869 3.333 17827
6890 1 14 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.735 -0.235 17827
6891 1 14 . 1 1 79 79 LEU C C 72 175.667 175.667 176.397 -0.730 17827
6892 1 14 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.202 -1.692 17827
6893 1 14 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.158 -2.918 17827
6894 1 14 . 1 1 79 79 LEU H H 72 9.175 9.175 8.129 1.046 17827
6895 1 14 . 1 1 80 80 LEU N N 73 119.170 119.170 123.873 -4.703 17827
6896 1 14 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.509 -0.129 17827
6897 1 14 . 1 1 80 80 LEU C C 73 178.139 178.139 176.774 1.365 17827
6898 1 14 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.506 -0.806 17827
6899 1 14 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.836 -0.666 17827
6900 1 14 . 1 1 80 80 LEU H H 73 7.280 7.280 8.482 -1.202 17827
6901 1 14 . 1 1 81 81 LYS N N 74 119.766 119.766 118.301 1.465 17827
6902 1 14 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.345 0.090 17827
6903 1 14 . 1 1 81 81 LYS C C 74 176.601 176.601 177.315 -0.714 17827
6904 1 14 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.621 -1.961 17827
6905 1 14 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.519 -4.979 17827
6906 1 14 . 1 1 81 81 LYS H H 74 7.865 7.865 7.788 0.077 17827
6907 1 14 . 1 1 82 82 THR N N 75 115.636 115.636 114.351 1.285 17827
6908 1 14 . 1 1 82 82 THR HA H 75 3.800 3.800 4.313 -0.513 17827
6909 1 14 . 1 1 82 82 THR C C 75 174.806 174.806 175.271 -0.465 17827
6910 1 14 . 1 1 82 82 THR CA C 75 64.650 64.650 63.628 1.022 17827
6911 1 14 . 1 1 82 82 THR CB C 75 68.260 68.260 68.972 -0.712 17827
6912 1 14 . 1 1 82 82 THR H H 75 7.910 7.910 8.679 -0.769 17827
6913 1 14 . 1 1 83 83 HIS N N 76 116.767 116.767 117.522 -0.755 17827
6914 1 14 . 1 1 83 83 HIS C C 76 176.370 176.370 174.507 1.863 17827
6915 1 14 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.954 0.256 17827
6916 1 14 . 1 1 83 83 HIS H H 76 8.965 8.965 8.230 0.735 17827
6917 1 14 . 1 1 84 84 TRP N N 77 123.905 123.905 118.073 5.832 17827
6918 1 14 . 1 1 84 84 TRP C C 77 175.584 175.584 175.132 0.452 17827
6919 1 14 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.745 1.645 17827
6920 1 14 . 1 1 84 84 TRP H H 77 7.635 7.635 7.523 0.112 17827
6921 1 14 . 1 1 85 85 THR N N 78 108.440 108.440 113.939 -5.499 17827
6922 1 14 . 1 1 85 85 THR HA H 78 4.900 4.900 4.138 0.762 17827
6923 1 14 . 1 1 85 85 THR C C 78 175.691 175.691 176.383 -0.692 17827
6924 1 14 . 1 1 85 85 THR CA C 78 59.500 59.500 63.633 -4.133 17827
6925 1 14 . 1 1 85 85 THR CB C 78 70.600 70.600 69.401 1.198 17827
6926 1 14 . 1 1 85 85 THR H H 78 7.030 7.030 7.548 -0.518 17827
6927 1 14 . 1 1 86 86 LEU N N 79 119.766 119.766 121.214 -1.448 17827
6928 1 14 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.012 0.028 17827
6929 1 14 . 1 1 86 86 LEU C C 79 179.734 179.734 179.054 0.680 17827
6930 1 14 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.403 -0.652 17827
6931 1 14 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.719 -0.269 17827
6932 1 14 . 1 1 86 86 LEU H H 79 8.045 8.045 8.603 -0.558 17827
6933 1 14 . 1 1 87 87 ASP N N 80 118.407 118.407 119.864 -1.457 17827
6934 1 14 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.365 0.075 17827
6935 1 14 . 1 1 87 87 ASP C C 80 179.152 179.152 178.668 0.484 17827
6936 1 14 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.991 0.329 17827
6937 1 14 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.285 0.035 17827
6938 1 14 . 1 1 87 87 ASP H H 80 8.935 8.935 8.830 0.105 17827
6939 1 14 . 1 1 88 88 LYS N N 81 123.300 123.300 119.868 3.432 17827
6940 1 14 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.852 -0.152 17827
6941 1 14 . 1 1 88 88 LYS C C 81 178.721 178.721 177.957 0.764 17827
6942 1 14 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.899 0.121 17827
6943 1 14 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.819 -0.179 17827
6944 1 14 . 1 1 88 88 LYS H H 81 8.055 8.055 8.282 -0.227 17827
6945 1 14 . 1 1 89 89 TYR N N 82 115.690 115.690 117.450 -1.760 17827
6946 1 14 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.687 -0.107 17827
6947 1 14 . 1 1 89 89 TYR C C 82 176.164 176.164 175.905 0.259 17827
6948 1 14 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.271 2.479 17827
6949 1 14 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.399 1.351 17827
6950 1 14 . 1 1 89 89 TYR H H 82 7.730 7.730 7.742 -0.012 17827
6951 1 14 . 1 1 90 90 GLY N N 83 108.212 108.212 107.074 1.138 17827
6952 1 14 . 1 1 90 90 GLY C C 83 174.555 174.555 174.454 0.101 17827
6953 1 14 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.919 0.591 17827
6954 1 14 . 1 1 90 90 GLY H H 83 8.030 8.030 8.022 0.008 17827
6955 1 14 . 1 1 91 91 ILE N N 84 122.960 122.960 120.487 2.473 17827
6956 1 14 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.139 -0.769 17827
6957 1 14 . 1 1 91 91 ILE C C 84 173.611 173.611 175.005 -1.394 17827
6958 1 14 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.415 0.285 17827
6959 1 14 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.070 -1.460 17827
6960 1 14 . 1 1 91 91 ILE H H 84 7.850 7.850 7.864 -0.014 17827
6961 1 14 . 1 1 92 92 GLN N N 85 125.429 125.429 124.288 1.141 17827
6962 1 14 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.648 0.232 17827
6963 1 14 . 1 1 92 92 GLN C C 85 174.756 174.756 175.056 -0.300 17827
6964 1 14 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.750 -1.030 17827
6965 1 14 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.759 0.391 17827
6966 1 14 . 1 1 92 92 GLN H H 85 7.700 7.700 8.078 -0.378 17827
6967 1 14 . 1 1 93 93 ALA N N 86 118.217 118.217 120.844 -2.627 17827
6968 1 14 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.406 -0.606 17827
6969 1 14 . 1 1 93 93 ALA C C 86 177.201 177.201 177.400 -0.199 17827
6970 1 14 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.252 0.828 17827
6971 1 14 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.768 -0.358 17827
6972 1 14 . 1 1 93 93 ALA H H 86 6.886 6.886 8.061 -1.175 17827
6973 1 14 . 1 1 94 94 ASP N N 87 113.647 113.647 117.599 -3.952 17827
6974 1 14 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.519 -0.099 17827
6975 1 14 . 1 1 94 94 ASP C C 87 176.218 176.218 175.184 1.034 17827
6976 1 14 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.826 0.234 17827
6977 1 14 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.913 -1.313 17827
6978 1 14 . 1 1 94 94 ASP H H 87 8.223 8.223 7.998 0.225 17827
6979 1 14 . 1 1 95 95 ALA N N 88 124.145 124.145 123.067 1.078 17827
6980 1 14 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.521 -0.215 17827
6981 1 14 . 1 1 95 95 ALA C C 88 176.630 176.630 176.212 0.418 17827
6982 1 14 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.566 1.754 17827
6983 1 14 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.571 0.449 17827
6984 1 14 . 1 1 95 95 ALA H H 88 7.941 7.941 7.063 0.878 17827
6985 1 14 . 1 1 96 96 LYS N N 89 120.897 120.897 126.495 -5.598 17827
6986 1 14 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.791 0.035 17827
6987 1 14 . 1 1 96 96 LYS C C 89 176.161 176.161 176.092 0.069 17827
6988 1 14 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.034 -0.298 17827
6989 1 14 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.166 0.224 17827
6990 1 14 . 1 1 96 96 LYS H H 89 8.500 8.500 8.588 -0.088 17827
6991 1 14 . 1 1 97 97 LEU N N 90 122.960 122.960 124.970 -2.010 17827
6992 1 14 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.226 0.849 17827
6993 1 14 . 1 1 97 97 LEU C C 90 176.394 176.394 175.818 0.576 17827
6994 1 14 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.697 -1.637 17827
6995 1 14 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.017 1.833 17827
6996 1 14 . 1 1 97 97 LEU H H 90 8.566 8.566 8.671 -0.105 17827
6997 1 14 . 1 1 98 98 GLN N N 91 119.538 119.538 114.890 4.648 17827
6998 1 14 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.822 0.888 17827
6999 1 14 . 1 1 98 98 GLN C C 91 174.144 174.144 174.682 -0.538 17827
7000 1 14 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.305 0.055 17827
7001 1 14 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.622 -0.332 17827
7002 1 14 . 1 1 98 98 GLN H H 91 9.060 9.060 7.730 1.330 17827
7003 1 14 . 1 1 99 99 PHE N N 92 125.674 125.674 120.277 5.397 17827
7004 1 14 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.404 0.296 17827
7005 1 14 . 1 1 99 99 PHE C C 92 174.537 174.537 173.970 0.567 17827
7006 1 14 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.544 -2.354 17827
7007 1 14 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.596 -2.516 17827
7008 1 14 . 1 1 99 99 PHE H H 92 9.290 9.290 9.585 -0.295 17827
7009 1 14 . 1 1 100 100 THR N N 93 124.543 124.543 116.647 7.896 17827
7010 1 14 . 1 1 100 100 THR HA H 93 5.100 5.100 4.882 0.218 17827
7011 1 14 . 1 1 100 100 THR C C 93 180.164 180.164 171.772 8.392 17827
7012 1 14 . 1 1 100 100 THR CA C 93 58.830 58.830 59.561 -0.731 17827
7013 1 14 . 1 1 100 100 THR CB C 93 73.610 73.610 71.162 2.448 17827
7014 1 14 . 1 1 100 100 THR H H 93 8.945 8.945 8.666 0.279 17827
7015 1 15 . 1 1 9 9 ALA N N 2 124.336 124.336 122.639 1.697 17827
7016 1 15 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.578 -0.368 17827
7017 1 15 . 1 1 9 9 ALA C C 2 177.598 177.598 176.953 0.645 17827
7018 1 15 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.734 0.706 17827
7019 1 15 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.725 0.305 17827
7020 1 15 . 1 1 9 9 ALA H H 2 8.018 8.018 8.115 -0.097 17827
7021 1 15 . 1 1 10 10 LEU N N 3 121.125 121.125 121.215 -0.090 17827
7022 1 15 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.108 0.102 17827
7023 1 15 . 1 1 10 10 LEU C C 3 177.094 177.094 177.644 -0.550 17827
7024 1 15 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.934 -1.614 17827
7025 1 15 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.828 0.342 17827
7026 1 15 . 1 1 10 10 LEU H H 3 8.057 8.057 8.308 -0.251 17827
7027 1 15 . 1 1 11 11 ASP N N 4 119.766 119.766 117.182 2.584 17827
7028 1 15 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.322 0.153 17827
7029 1 15 . 1 1 11 11 ASP C C 4 176.509 176.509 176.078 0.431 17827
7030 1 15 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.597 -1.047 17827
7031 1 15 . 1 1 11 11 ASP CB C 4 40.950 40.950 39.644 1.306 17827
7032 1 15 . 1 1 11 11 ASP H H 4 8.145 8.145 8.569 -0.424 17827
7033 1 15 . 1 1 12 12 GLY N N 5 108.440 108.440 104.861 3.579 17827
7034 1 15 . 1 1 12 12 GLY C C 5 173.692 173.692 175.285 -1.593 17827
7035 1 15 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.197 0.113 17827
7036 1 15 . 1 1 12 12 GLY H H 5 8.110 8.110 7.922 0.188 17827
7037 1 15 . 1 1 13 13 ILE N N 6 119.766 119.766 121.379 -1.613 17827
7038 1 15 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827
7039 1 15 . 1 1 13 13 ILE C C 6 175.525 175.525 176.943 -1.418 17827
7040 1 15 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.171 -3.461 17827
7041 1 15 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.840 0.590 17827
7042 1 15 . 1 1 13 13 ILE H H 6 7.790 7.790 7.460 0.330 17827
7043 1 15 . 1 1 14 14 ARG N N 7 125.657 125.657 120.139 5.518 17827
7044 1 15 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.188 0.022 17827
7045 1 15 . 1 1 14 14 ARG C C 7 175.810 175.810 176.326 -0.516 17827
7046 1 15 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.975 -2.335 17827
7047 1 15 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.406 0.584 17827
7048 1 15 . 1 1 14 14 ARG H H 7 8.410 8.410 8.092 0.318 17827
7049 1 15 . 1 1 15 15 MET N N 8 123.598 123.598 113.614 9.984 17827
7050 1 15 . 1 1 15 15 MET HA H 8 4.210 4.210 5.052 -0.842 17827
7051 1 15 . 1 1 15 15 MET C C 8 174.950 174.950 173.776 1.174 17827
7052 1 15 . 1 1 15 15 MET CA C 8 55.330 55.330 53.222 2.108 17827
7053 1 15 . 1 1 15 15 MET CB C 8 31.730 31.730 33.116 -1.386 17827
7054 1 15 . 1 1 15 15 MET H H 8 8.495 8.495 8.159 0.336 17827
7055 1 15 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.284 0.006 17827
7056 1 15 . 1 1 16 16 PRO C C 9 176.228 176.228 176.522 -0.294 17827
7057 1 15 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.244 -1.874 17827
7058 1 15 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.832 0.988 17827
7059 1 15 . 1 1 17 17 ASP N N 10 117.952 117.952 115.909 2.043 17827
7060 1 15 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.555 -0.135 17827
7061 1 15 . 1 1 17 17 ASP C C 10 176.714 176.714 176.778 -0.064 17827
7062 1 15 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.843 0.287 17827
7063 1 15 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.876 -0.446 17827
7064 1 15 . 1 1 17 17 ASP H H 10 8.076 8.076 7.826 0.250 17827
7065 1 15 . 1 1 18 18 GLY N N 11 108.663 108.663 106.306 2.357 17827
7066 1 15 . 1 1 18 18 GLY C C 11 173.819 173.819 174.363 -0.544 17827
7067 1 15 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.595 -0.295 17827
7068 1 15 . 1 1 18 18 GLY H H 11 8.255 8.255 7.702 0.553 17827
7069 1 15 . 1 1 19 19 CYS N N 12 118.179 118.179 119.501 -1.322 17827
7070 1 15 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.161 0.389 17827
7071 1 15 . 1 1 19 19 CYS C C 12 174.073 174.073 174.539 -0.466 17827
7072 1 15 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.653 -3.233 17827
7073 1 15 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.560 -0.160 17827
7074 1 15 . 1 1 19 19 CYS H H 12 7.850 7.850 8.171 -0.321 17827
7075 1 15 . 1 1 20 20 TYR N N 13 120.897 120.897 119.808 1.089 17827
7076 1 15 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.443 0.107 17827
7077 1 15 . 1 1 20 20 TYR C C 13 176.748 176.748 175.414 1.334 17827
7078 1 15 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.205 0.265 17827
7079 1 15 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.054 -0.844 17827
7080 1 15 . 1 1 20 20 TYR H H 13 8.550 8.550 8.104 0.446 17827
7081 1 15 . 1 1 21 21 ALA N N 14 124.750 124.750 123.577 1.173 17827
7082 1 15 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.981 0.209 17827
7083 1 15 . 1 1 21 21 ALA C C 14 177.181 177.181 177.417 -0.236 17827
7084 1 15 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.386 0.144 17827
7085 1 15 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.974 -0.345 17827
7086 1 15 . 1 1 21 21 ALA H H 14 8.615 8.615 6.671 1.944 17827
7087 1 15 . 1 1 22 22 ASP N N 15 117.500 117.500 117.693 -0.193 17827
7088 1 15 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.644 -0.164 17827
7089 1 15 . 1 1 22 22 ASP C C 15 176.708 176.708 176.737 -0.029 17827
7090 1 15 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.070 -0.570 17827
7091 1 15 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.314 -0.584 17827
7092 1 15 . 1 1 22 22 ASP H H 15 7.960 7.960 8.570 -0.610 17827
7093 1 15 . 1 1 23 23 GLY N N 16 108.891 108.891 106.038 2.853 17827
7094 1 15 . 1 1 23 23 GLY C C 16 174.373 174.373 173.680 0.693 17827
7095 1 15 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.201 -0.831 17827
7096 1 15 . 1 1 23 23 GLY H H 16 8.344 8.344 8.585 -0.241 17827
7097 1 15 . 1 1 24 24 THR N N 17 110.929 110.929 108.089 2.840 17827
7098 1 15 . 1 1 24 24 THR HA H 17 4.640 4.640 4.636 0.004 17827
7099 1 15 . 1 1 24 24 THR C C 17 173.620 173.620 172.585 1.035 17827
7100 1 15 . 1 1 24 24 THR CA C 17 60.540 60.540 60.449 0.091 17827
7101 1 15 . 1 1 24 24 THR CB C 17 72.100 72.100 70.108 1.992 17827
7102 1 15 . 1 1 24 24 THR H H 17 7.850 7.850 7.405 0.445 17827
7103 1 15 . 1 1 25 25 TRP N N 18 117.728 117.728 117.500 0.228 17827
7104 1 15 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.056 -0.111 17827
7105 1 15 . 1 1 25 25 TRP C C 18 174.164 174.164 174.002 0.162 17827
7106 1 15 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.548 -1.928 17827
7107 1 15 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.525 0.125 17827
7108 1 15 . 1 1 25 25 TRP H H 18 8.640 8.640 7.483 1.157 17827
7109 1 15 . 1 1 26 26 GLU N N 19 117.728 117.728 118.393 -0.665 17827
7110 1 15 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.828 0.023 17827
7111 1 15 . 1 1 26 26 GLU C C 19 174.786 174.786 174.499 0.287 17827
7112 1 15 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.740 0.970 17827
7113 1 15 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.503 -1.003 17827
7114 1 15 . 1 1 26 26 GLU H H 19 8.744 8.744 8.485 0.259 17827
7115 1 15 . 1 1 27 27 LEU N N 20 126.668 126.668 119.209 7.459 17827
7116 1 15 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.652 0.228 17827
7117 1 15 . 1 1 27 27 LEU C C 20 175.123 175.123 175.198 -0.075 17827
7118 1 15 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.418 -0.166 17827
7119 1 15 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.621 -1.341 17827
7120 1 15 . 1 1 27 27 LEU H H 20 8.980 8.980 8.835 0.145 17827
7121 1 15 . 1 1 28 28 SER N N 21 121.804 121.804 117.085 4.719 17827
7122 1 15 . 1 1 28 28 SER HA H 21 4.894 4.894 5.014 -0.120 17827
7123 1 15 . 1 1 28 28 SER C C 21 173.483 173.483 172.752 0.731 17827
7124 1 15 . 1 1 28 28 SER CA C 21 57.880 57.880 57.040 0.840 17827
7125 1 15 . 1 1 28 28 SER CB C 21 63.920 63.920 64.711 -0.791 17827
7126 1 15 . 1 1 28 28 SER H H 21 8.785 8.785 8.304 0.481 17827
7127 1 15 . 1 1 29 29 VAL N N 22 125.881 125.881 122.230 3.651 17827
7128 1 15 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.263 0.107 17827
7129 1 15 . 1 1 29 29 VAL C C 22 173.953 173.953 174.351 -0.398 17827
7130 1 15 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.116 0.324 17827
7131 1 15 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.129 -0.779 17827
7132 1 15 . 1 1 29 29 VAL H H 22 8.865 8.865 8.277 0.588 17827
7133 1 15 . 1 1 30 30 HIS N N 23 126.560 126.560 123.502 3.058 17827
7134 1 15 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.867 0.353 17827
7135 1 15 . 1 1 30 30 HIS C C 23 174.596 174.596 174.253 0.343 17827
7136 1 15 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.589 -0.339 17827
7137 1 15 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.414 -1.864 17827
7138 1 15 . 1 1 30 30 HIS H H 23 8.810 8.810 8.524 0.286 17827
7139 1 15 . 1 1 31 31 VAL N N 24 130.587 130.587 127.711 2.876 17827
7140 1 15 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.535 0.695 17827
7141 1 15 . 1 1 31 31 VAL C C 24 177.426 177.426 176.887 0.539 17827
7142 1 15 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.879 -7.348 17827
7143 1 15 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.944 -0.904 17827
7144 1 15 . 1 1 31 31 VAL H H 24 9.043 9.043 8.910 0.133 17827
7145 1 15 . 1 1 32 32 THR N N 25 122.484 122.484 121.832 0.652 17827
7146 1 15 . 1 1 32 32 THR HA H 25 3.970 3.970 4.213 -0.243 17827
7147 1 15 . 1 1 32 32 THR C C 25 177.437 177.437 175.413 2.024 17827
7148 1 15 . 1 1 32 32 THR CA C 25 66.470 66.470 65.130 1.339 17827
7149 1 15 . 1 1 32 32 THR CB C 25 68.220 68.220 69.193 -0.973 17827
7150 1 15 . 1 1 32 32 THR H H 25 8.245 8.245 9.158 -0.913 17827
7151 1 15 . 1 1 34 34 VAL N N 27 114.090 114.090 115.595 -1.505 17827
7152 1 15 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.112 0.388 17827
7153 1 15 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.226 -8.006 17827
7154 1 15 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.933 -6.873 17827
7155 1 15 . 1 1 34 34 VAL H H 27 6.977 6.977 7.412 -0.435 17827
7156 1 15 . 1 1 35 35 ASN N N 28 116.829 116.829 116.816 0.013 17827
7157 1 15 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.529 -0.230 17827
7158 1 15 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.441 -0.791 17827
7159 1 15 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.578 -0.468 17827
7160 1 15 . 1 1 35 35 ASN H H 28 7.897 7.897 7.976 -0.079 17827
7161 1 15 . 1 1 36 36 ARG N N 29 114.310 114.310 117.830 -3.520 17827
7162 1 15 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.885 -0.185 17827
7163 1 15 . 1 1 36 36 ARG C C 29 173.347 173.347 174.315 -0.968 17827
7164 1 15 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.854 0.046 17827
7165 1 15 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.700 2.000 17827
7166 1 15 . 1 1 36 36 ARG H H 29 6.787 6.787 7.815 -1.028 17827
7167 1 15 . 1 1 37 37 ASP N N 30 124.071 124.071 119.072 4.999 17827
7168 1 15 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.806 0.669 17827
7169 1 15 . 1 1 37 37 ASP C C 30 175.354 175.354 174.448 0.906 17827
7170 1 15 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.099 0.561 17827
7171 1 15 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.149 -0.889 17827
7172 1 15 . 1 1 37 37 ASP H H 30 8.760 8.760 8.480 0.280 17827
7173 1 15 . 1 1 38 38 VAL N N 31 123.300 123.300 117.906 5.394 17827
7174 1 15 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.526 -0.256 17827
7175 1 15 . 1 1 38 38 VAL C C 31 174.203 174.203 174.364 -0.161 17827
7176 1 15 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.346 0.354 17827
7177 1 15 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.420 -1.800 17827
7178 1 15 . 1 1 38 38 VAL H H 31 9.187 9.187 7.809 1.378 17827
7179 1 15 . 1 1 39 39 THR N N 32 119.766 119.766 112.983 6.783 17827
7180 1 15 . 1 1 39 39 THR HA H 32 5.095 5.095 4.883 0.212 17827
7181 1 15 . 1 1 39 39 THR C C 32 173.547 173.547 173.145 0.402 17827
7182 1 15 . 1 1 39 39 THR CA C 32 60.550 60.550 59.919 0.631 17827
7183 1 15 . 1 1 39 39 THR CB C 32 70.170 70.170 71.114 -0.944 17827
7184 1 15 . 1 1 39 39 THR H H 32 8.360 8.360 8.040 0.320 17827
7185 1 15 . 1 1 40 40 LEU N N 33 124.522 124.522 122.263 2.259 17827
7186 1 15 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.639 -0.049 17827
7187 1 15 . 1 1 40 40 LEU C C 33 174.691 174.691 175.891 -1.200 17827
7188 1 15 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.759 -1.179 17827
7189 1 15 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.481 0.929 17827
7190 1 15 . 1 1 40 40 LEU H H 33 8.750 8.750 8.127 0.623 17827
7191 1 15 . 1 1 41 41 ARG N N 34 122.712 122.712 123.679 -0.967 17827
7192 1 15 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.746 -0.066 17827
7193 1 15 . 1 1 41 41 ARG C C 34 175.700 175.700 174.382 1.318 17827
7194 1 15 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.100 0.320 17827
7195 1 15 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.680 -0.180 17827
7196 1 15 . 1 1 41 41 ARG H H 34 8.345 8.345 8.715 -0.370 17827
7197 1 15 . 1 1 42 42 VAL N N 35 117.728 117.728 116.791 0.937 17827
7198 1 15 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.551 -0.086 17827
7199 1 15 . 1 1 42 42 VAL C C 35 173.184 173.184 173.856 -0.672 17827
7200 1 15 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.740 -0.070 17827
7201 1 15 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.051 0.999 17827
7202 1 15 . 1 1 42 42 VAL H H 35 8.640 8.640 7.926 0.714 17827
7203 1 15 . 1 1 43 43 THR N N 36 104.359 104.359 108.699 -4.340 17827
7204 1 15 . 1 1 43 43 THR HA H 36 4.660 4.660 2.465 2.195 17827
7205 1 15 . 1 1 43 43 THR C C 36 174.862 174.862 175.050 -0.188 17827
7206 1 15 . 1 1 43 43 THR CA C 36 59.010 59.010 59.721 -0.711 17827
7207 1 15 . 1 1 43 43 THR CB C 36 71.570 71.570 71.699 -0.129 17827
7208 1 15 . 1 1 43 43 THR H H 36 6.220 6.220 8.048 -1.828 17827
7209 1 15 . 1 1 44 44 GLY N N 37 105.946 105.946 107.045 -1.099 17827
7210 1 15 . 1 1 44 44 GLY C C 37 173.394 173.394 174.438 -1.044 17827
7211 1 15 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.546 0.284 17827
7212 1 15 . 1 1 44 44 GLY H H 37 9.160 9.160 8.362 0.798 17827
7213 1 15 . 1 1 45 45 GLU N N 38 113.875 113.875 117.105 -3.230 17827
7214 1 15 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.359 -0.069 17827
7215 1 15 . 1 1 45 45 GLU C C 38 176.167 176.167 176.560 -0.393 17827
7216 1 15 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.945 -0.445 17827
7217 1 15 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.932 1.018 17827
7218 1 15 . 1 1 45 45 GLU H H 38 7.500 7.500 7.260 0.240 17827
7219 1 15 . 1 1 46 46 VAL N N 39 121.577 121.577 122.287 -0.710 17827
7220 1 15 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.998 -0.178 17827
7221 1 15 . 1 1 46 46 VAL C C 39 174.651 174.651 175.227 -0.576 17827
7222 1 15 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.218 1.702 17827
7223 1 15 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.866 -1.276 17827
7224 1 15 . 1 1 46 46 VAL H H 39 7.260 7.260 7.602 -0.342 17827
7225 1 15 . 1 1 47 47 HIS N N 40 123.391 123.391 125.845 -2.454 17827
7226 1 15 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.516 0.696 17827
7227 1 15 . 1 1 47 47 HIS C C 40 177.440 177.440 176.671 0.769 17827
7228 1 15 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.850 -1.190 17827
7229 1 15 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.963 -0.053 17827
7230 1 15 . 1 1 47 47 HIS H H 40 8.285 8.285 8.488 -0.203 17827
7231 1 15 . 1 1 48 48 ILE N N 41 124.071 124.071 124.464 -0.393 17827
7232 1 15 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.793 -0.263 17827
7233 1 15 . 1 1 48 48 ILE C C 41 178.941 178.941 177.707 1.234 17827
7234 1 15 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.414 -3.084 17827
7235 1 15 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.879 -3.649 17827
7236 1 15 . 1 1 48 48 ILE H H 41 8.863 8.863 7.792 1.071 17827
7237 1 15 . 1 1 49 49 GLY N N 42 106.853 106.853 104.514 2.339 17827
7238 1 15 . 1 1 49 49 GLY C C 42 175.669 175.669 175.341 0.328 17827
7239 1 15 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.147 -0.827 17827
7240 1 15 . 1 1 49 49 GLY H H 42 9.720 9.720 8.651 1.069 17827
7241 1 15 . 1 1 50 50 GLY N N 43 109.571 109.571 109.071 0.500 17827
7242 1 15 . 1 1 50 50 GLY C C 43 175.847 175.847 175.286 0.561 17827
7243 1 15 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.417 1.583 17827
7244 1 15 . 1 1 50 50 GLY H H 43 6.950 6.950 8.219 -1.269 17827
7245 1 15 . 1 1 51 51 VAL N N 44 123.163 123.163 124.600 -1.437 17827
7246 1 15 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.523 -0.408 17827
7247 1 15 . 1 1 51 51 VAL C C 44 176.804 176.804 177.753 -0.949 17827
7248 1 15 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.068 -0.408 17827
7249 1 15 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.048 -1.318 17827
7250 1 15 . 1 1 51 51 VAL H H 44 7.860 7.860 8.601 -0.741 17827
7251 1 15 . 1 1 52 52 MET N N 45 115.913 115.913 117.484 -1.571 17827
7252 1 15 . 1 1 52 52 MET HA H 45 3.410 3.410 4.033 -0.623 17827
7253 1 15 . 1 1 52 52 MET C C 45 176.881 176.881 177.992 -1.111 17827
7254 1 15 . 1 1 52 52 MET CA C 45 59.830 59.830 59.403 0.427 17827
7255 1 15 . 1 1 52 52 MET CB C 45 32.310 32.310 31.994 0.316 17827
7256 1 15 . 1 1 52 52 MET H H 45 7.940 7.940 7.742 0.198 17827
7257 1 15 . 1 1 53 53 LEU N N 46 118.291 118.291 121.855 -3.564 17827
7258 1 15 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.045 -0.105 17827
7259 1 15 . 1 1 53 53 LEU C C 46 179.178 179.178 179.234 -0.056 17827
7260 1 15 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.062 0.438 17827
7261 1 15 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.198 0.732 17827
7262 1 15 . 1 1 53 53 LEU H H 46 7.550 7.550 7.733 -0.183 17827
7263 1 15 . 1 1 54 54 LYS N N 47 118.142 118.142 119.208 -1.066 17827
7264 1 15 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.116 -0.246 17827
7265 1 15 . 1 1 54 54 LYS C C 47 178.616 178.616 179.182 -0.566 17827
7266 1 15 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.109 -1.129 17827
7267 1 15 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.029 0.291 17827
7268 1 15 . 1 1 54 54 LYS H H 47 7.665 7.665 8.669 -1.004 17827
7269 1 15 . 1 1 55 55 LEU N N 48 119.385 119.385 120.206 -0.821 17827
7270 1 15 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.295 -0.725 17827
7271 1 15 . 1 1 55 55 LEU C C 48 177.405 177.405 177.946 -0.541 17827
7272 1 15 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.865 -0.075 17827
7273 1 15 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.836 -0.246 17827
7274 1 15 . 1 1 55 55 LEU H H 48 7.975 7.975 7.618 0.357 17827
7275 1 15 . 1 1 56 56 VAL N N 49 116.141 116.141 119.512 -3.371 17827
7276 1 15 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.778 -0.788 17827
7277 1 15 . 1 1 56 56 VAL C C 49 178.564 178.564 178.298 0.266 17827
7278 1 15 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.857 -0.547 17827
7279 1 15 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.664 -0.364 17827
7280 1 15 . 1 1 56 56 VAL H H 49 7.615 7.615 9.008 -1.393 17827
7281 1 15 . 1 1 57 57 GLU N N 50 118.631 118.631 117.571 1.060 17827
7282 1 15 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.054 -0.089 17827
7283 1 15 . 1 1 57 57 GLU C C 50 178.030 178.030 177.832 0.198 17827
7284 1 15 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.876 -0.376 17827
7285 1 15 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.687 -0.077 17827
7286 1 15 . 1 1 57 57 GLU H H 50 7.575 7.575 8.652 -1.077 17827
7287 1 15 . 1 1 58 58 LYS N N 51 117.053 117.053 118.655 -1.602 17827
7288 1 15 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.069 0.061 17827
7289 1 15 . 1 1 58 58 LYS C C 51 176.956 176.956 177.913 -0.957 17827
7290 1 15 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.445 -1.785 17827
7291 1 15 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.876 -0.216 17827
7292 1 15 . 1 1 58 58 LYS H H 51 7.490 7.490 7.361 0.129 17827
7293 1 15 . 1 1 59 59 LEU N N 52 119.460 119.460 119.800 -0.340 17827
7294 1 15 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.096 0.026 17827
7295 1 15 . 1 1 59 59 LEU C C 52 176.645 176.645 176.397 0.248 17827
7296 1 15 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.404 1.256 17827
7297 1 15 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.444 0.256 17827
7298 1 15 . 1 1 59 59 LEU H H 52 7.470 7.470 7.834 -0.364 17827
7299 1 15 . 1 1 62 62 LYS C C 55 175.670 175.670 176.141 -0.471 17827
7300 1 15 . 1 1 63 63 LYS N N 56 122.430 122.430 123.969 -1.539 17827
7301 1 15 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.393 -0.363 17827
7302 1 15 . 1 1 63 63 LYS C C 56 172.850 172.850 176.539 -3.689 17827
7303 1 15 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.275 -1.745 17827
7304 1 15 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.668 0.772 17827
7305 1 15 . 1 1 63 63 LYS H H 56 7.245 7.245 8.086 -0.841 17827
7306 1 15 . 1 1 64 64 ASP N N 57 118.867 118.867 120.516 -1.649 17827
7307 1 15 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.342 0.188 17827
7308 1 15 . 1 1 64 64 ASP C C 57 176.710 176.710 176.035 0.675 17827
7309 1 15 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.189 -1.689 17827
7310 1 15 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.749 -0.430 17827
7311 1 15 . 1 1 64 64 ASP H H 57 7.867 7.867 8.094 -0.227 17827
7312 1 15 . 1 1 65 65 TRP N N 58 128.827 128.827 122.177 6.650 17827
7313 1 15 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.924 -0.384 17827
7314 1 15 . 1 1 65 65 TRP C C 58 178.390 178.390 177.589 0.801 17827
7315 1 15 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.506 -4.646 17827
7316 1 15 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.418 1.002 17827
7317 1 15 . 1 1 65 65 TRP H H 58 8.790 8.790 7.460 1.330 17827
7318 1 15 . 1 1 66 66 SER N N 59 117.724 117.724 116.673 1.051 17827
7319 1 15 . 1 1 66 66 SER HA H 59 4.143 4.143 4.223 -0.080 17827
7320 1 15 . 1 1 66 66 SER C C 59 174.471 174.471 175.496 -1.025 17827
7321 1 15 . 1 1 66 66 SER CA C 59 62.350 62.350 60.733 1.617 17827
7322 1 15 . 1 1 66 66 SER CB C 59 63.110 63.110 62.560 0.550 17827
7323 1 15 . 1 1 66 66 SER H H 59 8.637 8.637 8.137 0.500 17827
7324 1 15 . 1 1 67 67 ASP N N 60 121.042 121.042 119.490 1.552 17827
7325 1 15 . 1 1 67 67 ASP C C 60 176.206 176.206 176.712 -0.506 17827
7326 1 15 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.125 1.435 17827
7327 1 15 . 1 1 67 67 ASP H H 60 8.895 8.895 8.651 0.244 17827
7328 1 15 . 1 1 68 68 HIS N N 61 121.519 121.519 117.968 3.551 17827
7329 1 15 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.536 -0.046 17827
7330 1 15 . 1 1 68 68 HIS C C 61 174.546 174.546 174.259 0.287 17827
7331 1 15 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.069 1.871 17827
7332 1 15 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.108 8.302 17827
7333 1 15 . 1 1 68 68 HIS H H 61 7.958 7.958 7.590 0.368 17827
7334 1 15 . 1 1 69 69 ALA N N 62 122.256 122.256 118.780 3.476 17827
7335 1 15 . 1 1 69 69 ALA C C 62 175.294 175.294 175.238 0.056 17827
7336 1 15 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.750 -0.280 17827
7337 1 15 . 1 1 69 69 ALA H H 62 8.575 8.575 9.499 -0.924 17827
7338 1 15 . 1 1 70 70 LEU N N 63 118.904 118.904 121.154 -2.250 17827
7339 1 15 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.074 0.580 17827
7340 1 15 . 1 1 70 70 LEU C C 63 174.445 174.445 176.720 -2.275 17827
7341 1 15 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.431 0.499 17827
7342 1 15 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.517 2.783 17827
7343 1 15 . 1 1 70 70 LEU H H 63 9.150 9.150 8.964 0.186 17827
7344 1 15 . 1 1 71 71 TRP N N 64 125.367 125.367 128.733 -3.366 17827
7345 1 15 . 1 1 71 71 TRP C C 64 174.010 174.010 174.928 -0.918 17827
7346 1 15 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.657 1.554 17827
7347 1 15 . 1 1 71 71 TRP H H 64 9.590 9.590 8.626 0.964 17827
7348 1 15 . 1 1 72 72 TRP N N 65 129.982 129.982 129.806 0.176 17827
7349 1 15 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.829 0.151 17827
7350 1 15 . 1 1 72 72 TRP C C 65 174.335 174.335 175.732 -1.397 17827
7351 1 15 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.748 -3.308 17827
7352 1 15 . 1 1 72 72 TRP CB C 65 30.490 30.490 32.043 -1.553 17827
7353 1 15 . 1 1 72 72 TRP H H 65 8.277 8.277 8.566 -0.289 17827
7354 1 15 . 1 1 73 73 GLU N N 66 129.112 129.112 126.802 2.310 17827
7355 1 15 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.262 0.038 17827
7356 1 15 . 1 1 73 73 GLU C C 66 178.595 178.595 177.473 1.122 17827
7357 1 15 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.597 0.323 17827
7358 1 15 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.716 0.344 17827
7359 1 15 . 1 1 73 73 GLU H H 66 8.969 8.969 8.548 0.421 17827
7360 1 15 . 1 1 74 74 LYS N N 67 117.492 117.492 117.288 0.204 17827
7361 1 15 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.422 0.280 17827
7362 1 15 . 1 1 74 74 LYS C C 67 176.361 176.361 177.397 -1.036 17827
7363 1 15 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.185 0.475 17827
7364 1 15 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.392 0.628 17827
7365 1 15 . 1 1 74 74 LYS H H 67 7.860 7.860 6.097 1.763 17827
7366 1 15 . 1 1 75 75 LYS N N 68 121.233 121.233 115.034 6.199 17827
7367 1 15 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.296 -0.361 17827
7368 1 15 . 1 1 75 75 LYS C C 68 174.183 174.183 174.778 -0.595 17827
7369 1 15 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.301 -0.901 17827
7370 1 15 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.170 -0.970 17827
7371 1 15 . 1 1 75 75 LYS H H 68 7.500 7.500 6.972 0.528 17827
7372 1 15 . 1 1 76 76 ARG N N 69 121.125 121.125 116.583 4.542 17827
7373 1 15 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.993 -0.103 17827
7374 1 15 . 1 1 76 76 ARG C C 69 173.984 173.984 174.844 -0.860 17827
7375 1 15 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.418 -0.102 17827
7376 1 15 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.894 0.196 17827
7377 1 15 . 1 1 76 76 ARG H H 69 7.500 7.500 7.075 0.425 17827
7378 1 15 . 1 1 77 77 THR N N 70 110.478 110.478 112.130 -1.652 17827
7379 1 15 . 1 1 77 77 THR HA H 70 4.650 4.650 3.656 0.994 17827
7380 1 15 . 1 1 77 77 THR C C 70 171.846 171.846 172.323 -0.477 17827
7381 1 15 . 1 1 77 77 THR CA C 70 61.630 61.630 59.611 2.019 17827
7382 1 15 . 1 1 77 77 THR CB C 70 72.210 72.210 71.207 1.003 17827
7383 1 15 . 1 1 77 77 THR H H 70 6.280 6.280 7.105 -0.825 17827
7384 1 15 . 1 1 78 78 TRP N N 71 127.244 127.244 119.954 7.290 17827
7385 1 15 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.796 -1.046 17827
7386 1 15 . 1 1 78 78 TRP C C 71 177.303 177.303 175.885 1.418 17827
7387 1 15 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.695 0.545 17827
7388 1 15 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.744 -2.244 17827
7389 1 15 . 1 1 78 78 TRP H H 71 8.795 8.795 8.164 0.631 17827
7390 1 15 . 1 1 79 79 LEU N N 72 125.202 125.202 122.439 2.763 17827
7391 1 15 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.774 -0.274 17827
7392 1 15 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827
7393 1 15 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.380 -1.871 17827
7394 1 15 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.726 -3.486 17827
7395 1 15 . 1 1 79 79 LEU H H 72 9.175 9.175 8.380 0.795 17827
7396 1 15 . 1 1 80 80 LEU N N 73 119.170 119.170 124.926 -5.756 17827
7397 1 15 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.533 -0.153 17827
7398 1 15 . 1 1 80 80 LEU C C 73 178.139 178.139 177.054 1.085 17827
7399 1 15 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.085 -0.385 17827
7400 1 15 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.170 -0.001 17827
7401 1 15 . 1 1 80 80 LEU H H 73 7.280 7.280 8.647 -1.367 17827
7402 1 15 . 1 1 81 81 LYS N N 74 119.766 119.766 118.998 0.768 17827
7403 1 15 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.278 0.157 17827
7404 1 15 . 1 1 81 81 LYS C C 74 176.601 176.601 176.214 0.387 17827
7405 1 15 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.782 -2.122 17827
7406 1 15 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.640 -4.100 17827
7407 1 15 . 1 1 81 81 LYS H H 74 7.865 7.865 7.922 -0.057 17827
7408 1 15 . 1 1 82 82 THR N N 75 115.636 115.636 114.793 0.843 17827
7409 1 15 . 1 1 82 82 THR HA H 75 3.800 3.800 4.386 -0.586 17827
7410 1 15 . 1 1 82 82 THR C C 75 174.806 174.806 176.447 -1.641 17827
7411 1 15 . 1 1 82 82 THR CA C 75 64.650 64.650 64.163 0.487 17827
7412 1 15 . 1 1 82 82 THR CB C 75 68.260 68.260 69.133 -0.873 17827
7413 1 15 . 1 1 82 82 THR H H 75 7.910 7.910 8.438 -0.528 17827
7414 1 15 . 1 1 83 83 HIS N N 76 116.767 116.767 119.699 -2.932 17827
7415 1 15 . 1 1 83 83 HIS C C 76 176.370 176.370 176.592 -0.222 17827
7416 1 15 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.606 0.604 17827
7417 1 15 . 1 1 83 83 HIS H H 76 8.965 8.965 8.531 0.434 17827
7418 1 15 . 1 1 84 84 TRP N N 77 123.905 123.905 121.350 2.555 17827
7419 1 15 . 1 1 84 84 TRP C C 77 175.584 175.584 176.705 -1.121 17827
7420 1 15 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.227 3.163 17827
7421 1 15 . 1 1 84 84 TRP H H 77 7.635 7.635 8.762 -1.127 17827
7422 1 15 . 1 1 85 85 THR N N 78 108.440 108.440 113.677 -5.237 17827
7423 1 15 . 1 1 85 85 THR HA H 78 4.900 4.900 4.174 0.726 17827
7424 1 15 . 1 1 85 85 THR C C 78 175.691 175.691 176.033 -0.342 17827
7425 1 15 . 1 1 85 85 THR CA C 78 59.500 59.500 63.178 -3.678 17827
7426 1 15 . 1 1 85 85 THR CB C 78 70.600 70.600 69.638 0.962 17827
7427 1 15 . 1 1 85 85 THR H H 78 7.030 7.030 8.557 -1.527 17827
7428 1 15 . 1 1 86 86 LEU N N 79 119.766 119.766 122.150 -2.384 17827
7429 1 15 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.021 0.019 17827
7430 1 15 . 1 1 86 86 LEU C C 79 179.734 179.734 179.070 0.664 17827
7431 1 15 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.210 -0.460 17827
7432 1 15 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.627 -0.177 17827
7433 1 15 . 1 1 86 86 LEU H H 79 8.045 8.045 8.814 -0.769 17827
7434 1 15 . 1 1 87 87 ASP N N 80 118.407 118.407 118.657 -0.250 17827
7435 1 15 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.386 0.054 17827
7436 1 15 . 1 1 87 87 ASP C C 80 179.152 179.152 178.901 0.251 17827
7437 1 15 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.076 0.244 17827
7438 1 15 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.587 -0.268 17827
7439 1 15 . 1 1 87 87 ASP H H 80 8.935 8.935 8.735 0.200 17827
7440 1 15 . 1 1 88 88 LYS N N 81 123.300 123.300 120.051 3.249 17827
7441 1 15 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.951 -0.251 17827
7442 1 15 . 1 1 88 88 LYS C C 81 178.721 178.721 178.305 0.416 17827
7443 1 15 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.793 0.227 17827
7444 1 15 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.009 -0.369 17827
7445 1 15 . 1 1 88 88 LYS H H 81 8.055 8.055 7.527 0.528 17827
7446 1 15 . 1 1 89 89 TYR N N 82 115.690 115.690 116.435 -0.745 17827
7447 1 15 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.412 0.168 17827
7448 1 15 . 1 1 89 89 TYR C C 82 176.164 176.164 175.875 0.289 17827
7449 1 15 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.773 1.978 17827
7450 1 15 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.800 0.950 17827
7451 1 15 . 1 1 89 89 TYR H H 82 7.730 7.730 7.985 -0.255 17827
7452 1 15 . 1 1 90 90 GLY N N 83 108.212 108.212 106.295 1.917 17827
7453 1 15 . 1 1 90 90 GLY C C 83 174.555 174.555 174.485 0.070 17827
7454 1 15 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.971 0.539 17827
7455 1 15 . 1 1 90 90 GLY H H 83 8.030 8.030 8.223 -0.193 17827
7456 1 15 . 1 1 91 91 ILE N N 84 122.960 122.960 120.452 2.508 17827
7457 1 15 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.227 -0.857 17827
7458 1 15 . 1 1 91 91 ILE C C 84 173.611 173.611 174.835 -1.224 17827
7459 1 15 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.988 0.712 17827
7460 1 15 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.409 -1.799 17827
7461 1 15 . 1 1 91 91 ILE H H 84 7.850 7.850 7.945 -0.095 17827
7462 1 15 . 1 1 92 92 GLN N N 85 125.429 125.429 124.298 1.131 17827
7463 1 15 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.739 0.141 17827
7464 1 15 . 1 1 92 92 GLN C C 85 174.756 174.756 175.076 -0.320 17827
7465 1 15 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.740 -1.020 17827
7466 1 15 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.756 0.394 17827
7467 1 15 . 1 1 92 92 GLN H H 85 7.700 7.700 8.127 -0.427 17827
7468 1 15 . 1 1 93 93 ALA N N 86 118.217 118.217 121.069 -2.852 17827
7469 1 15 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.330 -0.530 17827
7470 1 15 . 1 1 93 93 ALA C C 86 177.201 177.201 177.441 -0.240 17827
7471 1 15 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.500 0.580 17827
7472 1 15 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.646 -0.236 17827
7473 1 15 . 1 1 93 93 ALA H H 86 6.886 6.886 8.144 -1.258 17827
7474 1 15 . 1 1 94 94 ASP N N 87 113.647 113.647 116.807 -3.160 17827
7475 1 15 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827
7476 1 15 . 1 1 94 94 ASP C C 87 176.218 176.218 175.131 1.087 17827
7477 1 15 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.698 0.362 17827
7478 1 15 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.900 -1.300 17827
7479 1 15 . 1 1 94 94 ASP H H 87 8.223 8.223 8.131 0.092 17827
7480 1 15 . 1 1 95 95 ALA N N 88 124.145 124.145 122.472 1.673 17827
7481 1 15 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.532 -0.226 17827
7482 1 15 . 1 1 95 95 ALA C C 88 176.630 176.630 176.269 0.361 17827
7483 1 15 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.410 1.910 17827
7484 1 15 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.417 0.603 17827
7485 1 15 . 1 1 95 95 ALA H H 88 7.941 7.941 7.083 0.858 17827
7486 1 15 . 1 1 96 96 LYS N N 89 120.897 120.897 126.364 -5.467 17827
7487 1 15 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.498 0.328 17827
7488 1 15 . 1 1 96 96 LYS C C 89 176.161 176.161 175.794 0.367 17827
7489 1 15 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.921 -0.185 17827
7490 1 15 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.884 0.506 17827
7491 1 15 . 1 1 96 96 LYS H H 89 8.500 8.500 8.464 0.036 17827
7492 1 15 . 1 1 97 97 LEU N N 90 122.960 122.960 123.582 -0.622 17827
7493 1 15 . 1 1 97 97 LEU HA H 90 5.075 5.075 3.953 1.122 17827
7494 1 15 . 1 1 97 97 LEU C C 90 176.394 176.394 177.113 -0.719 17827
7495 1 15 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.764 -1.704 17827
7496 1 15 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.519 2.331 17827
7497 1 15 . 1 1 97 97 LEU H H 90 8.566 8.566 8.475 0.091 17827
7498 1 15 . 1 1 98 98 GLN N N 91 119.538 119.538 115.534 4.004 17827
7499 1 15 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.864 0.846 17827
7500 1 15 . 1 1 98 98 GLN C C 91 174.144 174.144 174.595 -0.451 17827
7501 1 15 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.706 -0.346 17827
7502 1 15 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.944 -0.654 17827
7503 1 15 . 1 1 98 98 GLN H H 91 9.060 9.060 8.011 1.049 17827
7504 1 15 . 1 1 99 99 PHE N N 92 125.674 125.674 119.746 5.928 17827
7505 1 15 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.338 0.362 17827
7506 1 15 . 1 1 99 99 PHE C C 92 174.537 174.537 174.290 0.247 17827
7507 1 15 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.937 -1.747 17827
7508 1 15 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.501 -2.421 17827
7509 1 15 . 1 1 99 99 PHE H H 92 9.290 9.290 9.759 -0.469 17827
7510 1 15 . 1 1 100 100 THR N N 93 124.543 124.543 117.979 6.564 17827
7511 1 15 . 1 1 100 100 THR HA H 93 5.100 5.100 4.849 0.251 17827
7512 1 15 . 1 1 100 100 THR C C 93 180.164 180.164 171.794 8.370 17827
7513 1 15 . 1 1 100 100 THR CA C 93 58.830 58.830 59.878 -1.048 17827
7514 1 15 . 1 1 100 100 THR CB C 93 73.610 73.610 71.242 2.368 17827
7515 1 15 . 1 1 100 100 THR H H 93 8.945 8.945 9.743 -0.798 17827
7516 1 16 . 1 1 9 9 ALA N N 2 124.336 124.336 124.406 -0.070 17827
7517 1 16 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.725 -0.515 17827
7518 1 16 . 1 1 9 9 ALA C C 2 177.598 177.598 175.587 2.011 17827
7519 1 16 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.672 0.768 17827
7520 1 16 . 1 1 9 9 ALA CB C 2 19.030 19.030 20.127 -1.097 17827
7521 1 16 . 1 1 9 9 ALA H H 2 8.018 8.018 8.351 -0.333 17827
7522 1 16 . 1 1 10 10 LEU N N 3 121.125 121.125 122.071 -0.946 17827
7523 1 16 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.626 -0.416 17827
7524 1 16 . 1 1 10 10 LEU C C 3 177.094 177.094 176.463 0.631 17827
7525 1 16 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.045 0.275 17827
7526 1 16 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.730 -0.560 17827
7527 1 16 . 1 1 10 10 LEU H H 3 8.057 8.057 8.316 -0.259 17827
7528 1 16 . 1 1 11 11 ASP N N 4 119.766 119.766 120.542 -0.776 17827
7529 1 16 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.600 -0.125 17827
7530 1 16 . 1 1 11 11 ASP C C 4 176.509 176.509 176.439 0.070 17827
7531 1 16 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.372 0.178 17827
7532 1 16 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.697 -0.747 17827
7533 1 16 . 1 1 11 11 ASP H H 4 8.145 8.145 8.443 -0.298 17827
7534 1 16 . 1 1 12 12 GLY N N 5 108.440 108.440 107.927 0.513 17827
7535 1 16 . 1 1 12 12 GLY C C 5 173.692 173.692 174.584 -0.892 17827
7536 1 16 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.928 0.382 17827
7537 1 16 . 1 1 12 12 GLY H H 5 8.110 8.110 8.250 -0.140 17827
7538 1 16 . 1 1 13 13 ILE N N 6 119.766 119.766 117.881 1.885 17827
7539 1 16 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.712 0.388 17827
7540 1 16 . 1 1 13 13 ILE C C 6 175.525 175.525 176.230 -0.705 17827
7541 1 16 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.422 -1.712 17827
7542 1 16 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.702 0.728 17827
7543 1 16 . 1 1 13 13 ILE H H 6 7.790 7.790 8.380 -0.590 17827
7544 1 16 . 1 1 14 14 ARG N N 7 125.657 125.657 120.474 5.183 17827
7545 1 16 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.321 -0.111 17827
7546 1 16 . 1 1 14 14 ARG C C 7 175.810 175.810 176.051 -0.241 17827
7547 1 16 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.631 -1.991 17827
7548 1 16 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.610 0.380 17827
7549 1 16 . 1 1 14 14 ARG H H 7 8.410 8.410 8.165 0.245 17827
7550 1 16 . 1 1 15 15 MET N N 8 123.598 123.598 115.439 8.159 17827
7551 1 16 . 1 1 15 15 MET HA H 8 4.210 4.210 5.028 -0.818 17827
7552 1 16 . 1 1 15 15 MET C C 8 174.950 174.950 174.795 0.155 17827
7553 1 16 . 1 1 15 15 MET CA C 8 55.330 55.330 52.809 2.522 17827
7554 1 16 . 1 1 15 15 MET CB C 8 31.730 31.730 32.100 -0.370 17827
7555 1 16 . 1 1 15 15 MET H H 8 8.495 8.495 7.553 0.942 17827
7556 1 16 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.233 0.057 17827
7557 1 16 . 1 1 16 16 PRO C C 9 176.228 176.228 176.615 -0.387 17827
7558 1 16 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.106 -1.736 17827
7559 1 16 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.243 0.577 17827
7560 1 16 . 1 1 17 17 ASP N N 10 117.952 117.952 114.737 3.215 17827
7561 1 16 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.515 -0.095 17827
7562 1 16 . 1 1 17 17 ASP C C 10 176.714 176.714 176.704 0.010 17827
7563 1 16 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.293 -0.163 17827
7564 1 16 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.460 -0.030 17827
7565 1 16 . 1 1 17 17 ASP H H 10 8.076 8.076 8.170 -0.094 17827
7566 1 16 . 1 1 18 18 GLY N N 11 108.663 108.663 105.709 2.954 17827
7567 1 16 . 1 1 18 18 GLY C C 11 173.819 173.819 175.096 -1.277 17827
7568 1 16 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.281 0.020 17827
7569 1 16 . 1 1 18 18 GLY H H 11 8.255 8.255 7.653 0.602 17827
7570 1 16 . 1 1 19 19 CYS N N 12 118.179 118.179 120.485 -2.306 17827
7571 1 16 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.361 0.189 17827
7572 1 16 . 1 1 19 19 CYS C C 12 174.073 174.073 175.138 -1.065 17827
7573 1 16 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.215 -2.795 17827
7574 1 16 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.892 0.507 17827
7575 1 16 . 1 1 19 19 CYS H H 12 7.850 7.850 8.383 -0.533 17827
7576 1 16 . 1 1 20 20 TYR N N 13 120.897 120.897 120.712 0.185 17827
7577 1 16 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.498 0.052 17827
7578 1 16 . 1 1 20 20 TYR C C 13 176.748 176.748 174.497 2.251 17827
7579 1 16 . 1 1 20 20 TYR CA C 13 58.470 58.470 56.878 1.592 17827
7580 1 16 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.324 1.887 17827
7581 1 16 . 1 1 20 20 TYR H H 13 8.550 8.550 8.380 0.170 17827
7582 1 16 . 1 1 21 21 ALA N N 14 124.750 124.750 124.724 0.026 17827
7583 1 16 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.042 0.148 17827
7584 1 16 . 1 1 21 21 ALA C C 14 177.181 177.181 176.919 0.262 17827
7585 1 16 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.127 0.403 17827
7586 1 16 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.632 0.998 17827
7587 1 16 . 1 1 21 21 ALA H H 14 8.615 8.615 7.639 0.976 17827
7588 1 16 . 1 1 22 22 ASP N N 15 117.500 117.500 121.759 -4.259 17827
7589 1 16 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.521 -0.041 17827
7590 1 16 . 1 1 22 22 ASP C C 15 176.708 176.708 176.589 0.119 17827
7591 1 16 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.945 -0.445 17827
7592 1 16 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.982 -2.252 17827
7593 1 16 . 1 1 22 22 ASP H H 15 7.960 7.960 7.803 0.157 17827
7594 1 16 . 1 1 23 23 GLY N N 16 108.891 108.891 110.129 -1.238 17827
7595 1 16 . 1 1 23 23 GLY C C 16 174.373 174.373 173.985 0.388 17827
7596 1 16 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.326 0.044 17827
7597 1 16 . 1 1 23 23 GLY H H 16 8.344 8.344 8.440 -0.096 17827
7598 1 16 . 1 1 24 24 THR N N 17 110.929 110.929 114.350 -3.421 17827
7599 1 16 . 1 1 24 24 THR HA H 17 4.640 4.640 4.029 0.611 17827
7600 1 16 . 1 1 24 24 THR C C 17 173.620 173.620 173.763 -0.143 17827
7601 1 16 . 1 1 24 24 THR CA C 17 60.540 60.540 60.985 -0.445 17827
7602 1 16 . 1 1 24 24 THR CB C 17 72.100 72.100 69.505 2.595 17827
7603 1 16 . 1 1 24 24 THR H H 17 7.850 7.850 7.532 0.318 17827
7604 1 16 . 1 1 25 25 TRP N N 18 117.728 117.728 119.857 -2.129 17827
7605 1 16 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.778 0.167 17827
7606 1 16 . 1 1 25 25 TRP C C 18 174.164 174.164 173.907 0.257 17827
7607 1 16 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.599 -1.979 17827
7608 1 16 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.314 1.336 17827
7609 1 16 . 1 1 25 25 TRP H H 18 8.640 8.640 7.362 1.278 17827
7610 1 16 . 1 1 26 26 GLU N N 19 117.728 117.728 119.345 -1.617 17827
7611 1 16 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.881 -0.030 17827
7612 1 16 . 1 1 26 26 GLU C C 19 174.786 174.786 174.508 0.278 17827
7613 1 16 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.878 0.832 17827
7614 1 16 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.526 -1.026 17827
7615 1 16 . 1 1 26 26 GLU H H 19 8.744 8.744 8.506 0.238 17827
7616 1 16 . 1 1 27 27 LEU N N 20 126.668 126.668 119.207 7.461 17827
7617 1 16 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.729 0.151 17827
7618 1 16 . 1 1 27 27 LEU C C 20 175.123 175.123 175.330 -0.207 17827
7619 1 16 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.422 -0.170 17827
7620 1 16 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.574 -1.294 17827
7621 1 16 . 1 1 27 27 LEU H H 20 8.980 8.980 8.793 0.187 17827
7622 1 16 . 1 1 28 28 SER N N 21 121.804 121.804 117.309 4.495 17827
7623 1 16 . 1 1 28 28 SER HA H 21 4.894 4.894 4.998 -0.104 17827
7624 1 16 . 1 1 28 28 SER C C 21 173.483 173.483 173.017 0.466 17827
7625 1 16 . 1 1 28 28 SER CA C 21 57.880 57.880 57.195 0.685 17827
7626 1 16 . 1 1 28 28 SER CB C 21 63.920 63.920 64.791 -0.871 17827
7627 1 16 . 1 1 28 28 SER H H 21 8.785 8.785 8.441 0.344 17827
7628 1 16 . 1 1 29 29 VAL N N 22 125.881 125.881 123.207 2.674 17827
7629 1 16 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.347 0.023 17827
7630 1 16 . 1 1 29 29 VAL C C 22 173.953 173.953 174.762 -0.809 17827
7631 1 16 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.072 0.368 17827
7632 1 16 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.619 -1.269 17827
7633 1 16 . 1 1 29 29 VAL H H 22 8.865 8.865 8.343 0.522 17827
7634 1 16 . 1 1 30 30 HIS N N 23 126.560 126.560 123.593 2.967 17827
7635 1 16 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.807 0.413 17827
7636 1 16 . 1 1 30 30 HIS C C 23 174.596 174.596 174.011 0.585 17827
7637 1 16 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.353 -0.103 17827
7638 1 16 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.633 -2.083 17827
7639 1 16 . 1 1 30 30 HIS H H 23 8.810 8.810 8.486 0.324 17827
7640 1 16 . 1 1 31 31 VAL N N 24 130.587 130.587 127.671 2.916 17827
7641 1 16 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.645 0.585 17827
7642 1 16 . 1 1 31 31 VAL C C 24 177.426 177.426 176.508 0.918 17827
7643 1 16 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.434 -6.904 17827
7644 1 16 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.526 0.514 17827
7645 1 16 . 1 1 31 31 VAL H H 24 9.043 9.043 8.923 0.120 17827
7646 1 16 . 1 1 32 32 THR N N 25 122.484 122.484 122.772 -0.288 17827
7647 1 16 . 1 1 32 32 THR HA H 25 3.970 3.970 4.233 -0.263 17827
7648 1 16 . 1 1 32 32 THR C C 25 177.437 177.437 175.440 1.997 17827
7649 1 16 . 1 1 32 32 THR CA C 25 66.470 66.470 64.967 1.503 17827
7650 1 16 . 1 1 32 32 THR CB C 25 68.220 68.220 69.000 -0.780 17827
7651 1 16 . 1 1 32 32 THR H H 25 8.245 8.245 8.718 -0.473 17827
7652 1 16 . 1 1 34 34 VAL N N 27 114.090 114.090 115.463 -1.373 17827
7653 1 16 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.177 0.323 17827
7654 1 16 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.227 -8.007 17827
7655 1 16 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.420 -7.360 17827
7656 1 16 . 1 1 34 34 VAL H H 27 6.977 6.977 7.170 -0.193 17827
7657 1 16 . 1 1 35 35 ASN N N 28 116.829 116.829 116.864 -0.035 17827
7658 1 16 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.511 -0.212 17827
7659 1 16 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.507 -0.857 17827
7660 1 16 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.656 -0.546 17827
7661 1 16 . 1 1 35 35 ASN H H 28 7.897 7.897 8.123 -0.226 17827
7662 1 16 . 1 1 36 36 ARG N N 29 114.310 114.310 118.014 -3.704 17827
7663 1 16 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.723 -0.023 17827
7664 1 16 . 1 1 36 36 ARG C C 29 173.347 173.347 174.189 -0.842 17827
7665 1 16 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.760 0.140 17827
7666 1 16 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.065 2.635 17827
7667 1 16 . 1 1 36 36 ARG H H 29 6.787 6.787 7.661 -0.874 17827
7668 1 16 . 1 1 37 37 ASP N N 30 124.071 124.071 118.042 6.029 17827
7669 1 16 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.728 0.747 17827
7670 1 16 . 1 1 37 37 ASP C C 30 175.354 175.354 174.673 0.681 17827
7671 1 16 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.425 0.235 17827
7672 1 16 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.508 -0.248 17827
7673 1 16 . 1 1 37 37 ASP H H 30 8.760 8.760 8.471 0.289 17827
7674 1 16 . 1 1 38 38 VAL N N 31 123.300 123.300 118.885 4.415 17827
7675 1 16 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827
7676 1 16 . 1 1 38 38 VAL C C 31 174.203 174.203 174.263 -0.060 17827
7677 1 16 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.776 0.923 17827
7678 1 16 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.017 -1.397 17827
7679 1 16 . 1 1 38 38 VAL H H 31 9.187 9.187 7.902 1.285 17827
7680 1 16 . 1 1 39 39 THR N N 32 119.766 119.766 114.287 5.479 17827
7681 1 16 . 1 1 39 39 THR HA H 32 5.095 5.095 4.841 0.254 17827
7682 1 16 . 1 1 39 39 THR C C 32 173.547 173.547 173.043 0.504 17827
7683 1 16 . 1 1 39 39 THR CA C 32 60.550 60.550 60.193 0.357 17827
7684 1 16 . 1 1 39 39 THR CB C 32 70.170 70.170 70.822 -0.652 17827
7685 1 16 . 1 1 39 39 THR H H 32 8.360 8.360 8.123 0.237 17827
7686 1 16 . 1 1 40 40 LEU N N 33 124.522 124.522 122.277 2.245 17827
7687 1 16 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.562 0.028 17827
7688 1 16 . 1 1 40 40 LEU C C 33 174.691 174.691 175.873 -1.182 17827
7689 1 16 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.484 -0.904 17827
7690 1 16 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.303 1.107 17827
7691 1 16 . 1 1 40 40 LEU H H 33 8.750 8.750 8.115 0.635 17827
7692 1 16 . 1 1 41 41 ARG N N 34 122.712 122.712 125.033 -2.321 17827
7693 1 16 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.718 -0.038 17827
7694 1 16 . 1 1 41 41 ARG C C 34 175.700 175.700 174.612 1.088 17827
7695 1 16 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.835 0.585 17827
7696 1 16 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.637 -0.137 17827
7697 1 16 . 1 1 41 41 ARG H H 34 8.345 8.345 8.807 -0.462 17827
7698 1 16 . 1 1 42 42 VAL N N 35 117.728 117.728 119.185 -1.457 17827
7699 1 16 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.505 -0.040 17827
7700 1 16 . 1 1 42 42 VAL C C 35 173.184 173.184 173.676 -0.492 17827
7701 1 16 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.817 -0.147 17827
7702 1 16 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.989 1.061 17827
7703 1 16 . 1 1 42 42 VAL H H 35 8.640 8.640 7.805 0.835 17827
7704 1 16 . 1 1 43 43 THR N N 36 104.359 104.359 108.767 -4.408 17827
7705 1 16 . 1 1 43 43 THR HA H 36 4.660 4.660 2.573 2.087 17827
7706 1 16 . 1 1 43 43 THR C C 36 174.862 174.862 175.262 -0.400 17827
7707 1 16 . 1 1 43 43 THR CA C 36 59.010 59.010 59.179 -0.169 17827
7708 1 16 . 1 1 43 43 THR CB C 36 71.570 71.570 71.032 0.538 17827
7709 1 16 . 1 1 43 43 THR H H 36 6.220 6.220 7.887 -1.667 17827
7710 1 16 . 1 1 44 44 GLY N N 37 105.946 105.946 106.808 -0.862 17827
7711 1 16 . 1 1 44 44 GLY C C 37 173.394 173.394 174.491 -1.097 17827
7712 1 16 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.732 0.098 17827
7713 1 16 . 1 1 44 44 GLY H H 37 9.160 9.160 8.749 0.411 17827
7714 1 16 . 1 1 45 45 GLU N N 38 113.875 113.875 118.064 -4.189 17827
7715 1 16 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.415 -0.125 17827
7716 1 16 . 1 1 45 45 GLU C C 38 176.167 176.167 176.838 -0.671 17827
7717 1 16 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.037 -0.537 17827
7718 1 16 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.837 1.113 17827
7719 1 16 . 1 1 45 45 GLU H H 38 7.500 7.500 7.330 0.170 17827
7720 1 16 . 1 1 46 46 VAL N N 39 121.577 121.577 122.109 -0.532 17827
7721 1 16 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.046 -0.226 17827
7722 1 16 . 1 1 46 46 VAL C C 39 174.651 174.651 175.223 -0.572 17827
7723 1 16 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.980 1.940 17827
7724 1 16 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.758 -1.168 17827
7725 1 16 . 1 1 46 46 VAL H H 39 7.260 7.260 7.505 -0.245 17827
7726 1 16 . 1 1 47 47 HIS N N 40 123.391 123.391 125.279 -1.888 17827
7727 1 16 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.608 0.604 17827
7728 1 16 . 1 1 47 47 HIS C C 40 177.440 177.440 176.423 1.017 17827
7729 1 16 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.216 -1.556 17827
7730 1 16 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.374 -0.464 17827
7731 1 16 . 1 1 47 47 HIS H H 40 8.285 8.285 8.522 -0.237 17827
7732 1 16 . 1 1 48 48 ILE N N 41 124.071 124.071 124.432 -0.361 17827
7733 1 16 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.803 -0.273 17827
7734 1 16 . 1 1 48 48 ILE C C 41 178.941 178.941 177.698 1.243 17827
7735 1 16 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.410 -3.080 17827
7736 1 16 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.893 -3.663 17827
7737 1 16 . 1 1 48 48 ILE H H 41 8.863 8.863 8.399 0.464 17827
7738 1 16 . 1 1 49 49 GLY N N 42 106.853 106.853 104.677 2.176 17827
7739 1 16 . 1 1 49 49 GLY C C 42 175.669 175.669 175.511 0.158 17827
7740 1 16 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.360 -1.040 17827
7741 1 16 . 1 1 49 49 GLY H H 42 9.720 9.720 8.733 0.987 17827
7742 1 16 . 1 1 50 50 GLY N N 43 109.571 109.571 109.194 0.377 17827
7743 1 16 . 1 1 50 50 GLY C C 43 175.847 175.847 175.297 0.550 17827
7744 1 16 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.516 1.484 17827
7745 1 16 . 1 1 50 50 GLY H H 43 6.950 6.950 8.289 -1.339 17827
7746 1 16 . 1 1 51 51 VAL N N 44 123.163 123.163 124.598 -1.435 17827
7747 1 16 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.572 -0.457 17827
7748 1 16 . 1 1 51 51 VAL C C 44 176.804 176.804 177.800 -0.996 17827
7749 1 16 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.074 -0.414 17827
7750 1 16 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.102 -1.372 17827
7751 1 16 . 1 1 51 51 VAL H H 44 7.860 7.860 8.545 -0.685 17827
7752 1 16 . 1 1 52 52 MET N N 45 115.913 115.913 117.669 -1.756 17827
7753 1 16 . 1 1 52 52 MET HA H 45 3.410 3.410 4.158 -0.748 17827
7754 1 16 . 1 1 52 52 MET C C 45 176.881 176.881 178.090 -1.209 17827
7755 1 16 . 1 1 52 52 MET CA C 45 59.830 59.830 59.531 0.299 17827
7756 1 16 . 1 1 52 52 MET CB C 45 32.310 32.310 31.672 0.638 17827
7757 1 16 . 1 1 52 52 MET H H 45 7.940 7.940 7.827 0.113 17827
7758 1 16 . 1 1 53 53 LEU N N 46 118.291 118.291 121.402 -3.111 17827
7759 1 16 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.093 -0.153 17827
7760 1 16 . 1 1 53 53 LEU C C 46 179.178 179.178 179.325 -0.147 17827
7761 1 16 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.167 0.333 17827
7762 1 16 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.240 0.690 17827
7763 1 16 . 1 1 53 53 LEU H H 46 7.550 7.550 7.706 -0.156 17827
7764 1 16 . 1 1 54 54 LYS N N 47 118.142 118.142 119.425 -1.283 17827
7765 1 16 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.260 -0.390 17827
7766 1 16 . 1 1 54 54 LYS C C 47 178.616 178.616 179.308 -0.692 17827
7767 1 16 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.160 -1.180 17827
7768 1 16 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.102 0.218 17827
7769 1 16 . 1 1 54 54 LYS H H 47 7.665 7.665 8.648 -0.983 17827
7770 1 16 . 1 1 55 55 LEU N N 48 119.385 119.385 120.622 -1.237 17827
7771 1 16 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.246 -0.676 17827
7772 1 16 . 1 1 55 55 LEU C C 48 177.405 177.405 177.747 -0.342 17827
7773 1 16 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.741 0.049 17827
7774 1 16 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.070 -0.480 17827
7775 1 16 . 1 1 55 55 LEU H H 48 7.975 7.975 7.799 0.176 17827
7776 1 16 . 1 1 56 56 VAL N N 49 116.141 116.141 119.020 -2.879 17827
7777 1 16 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.515 -0.525 17827
7778 1 16 . 1 1 56 56 VAL C C 49 178.564 178.564 177.385 1.179 17827
7779 1 16 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.532 -0.222 17827
7780 1 16 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.789 -0.489 17827
7781 1 16 . 1 1 56 56 VAL H H 49 7.615 7.615 8.847 -1.232 17827
7782 1 16 . 1 1 57 57 GLU N N 50 118.631 118.631 116.957 1.674 17827
7783 1 16 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.163 -0.198 17827
7784 1 16 . 1 1 57 57 GLU C C 50 178.030 178.030 178.594 -0.564 17827
7785 1 16 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.527 -0.027 17827
7786 1 16 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.745 -0.135 17827
7787 1 16 . 1 1 57 57 GLU H H 50 7.575 7.575 8.649 -1.074 17827
7788 1 16 . 1 1 58 58 LYS N N 51 117.053 117.053 118.477 -1.424 17827
7789 1 16 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.090 0.040 17827
7790 1 16 . 1 1 58 58 LYS C C 51 176.956 176.956 177.415 -0.459 17827
7791 1 16 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.753 -2.093 17827
7792 1 16 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.339 -0.679 17827
7793 1 16 . 1 1 58 58 LYS H H 51 7.490 7.490 7.545 -0.055 17827
7794 1 16 . 1 1 59 59 LEU N N 52 119.460 119.460 115.452 4.008 17827
7795 1 16 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.679 -0.557 17827
7796 1 16 . 1 1 59 59 LEU C C 52 176.645 176.645 175.902 0.743 17827
7797 1 16 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.791 2.869 17827
7798 1 16 . 1 1 59 59 LEU CB C 52 42.700 42.700 43.186 -0.486 17827
7799 1 16 . 1 1 59 59 LEU H H 52 7.470 7.470 7.876 -0.406 17827
7800 1 16 . 1 1 62 62 LYS C C 55 175.670 175.670 175.674 -0.004 17827
7801 1 16 . 1 1 63 63 LYS N N 56 122.430 122.430 120.822 1.608 17827
7802 1 16 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.270 -0.240 17827
7803 1 16 . 1 1 63 63 LYS C C 56 172.850 172.850 175.037 -2.187 17827
7804 1 16 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.200 -1.670 17827
7805 1 16 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.156 1.284 17827
7806 1 16 . 1 1 63 63 LYS H H 56 7.245 7.245 7.744 -0.499 17827
7807 1 16 . 1 1 64 64 ASP N N 57 118.867 118.867 118.344 0.523 17827
7808 1 16 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.716 -0.186 17827
7809 1 16 . 1 1 64 64 ASP C C 57 176.710 176.710 174.524 2.186 17827
7810 1 16 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.163 -0.662 17827
7811 1 16 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.960 -2.640 17827
7812 1 16 . 1 1 64 64 ASP H H 57 7.867 7.867 8.405 -0.538 17827
7813 1 16 . 1 1 65 65 TRP N N 58 128.827 128.827 121.185 7.642 17827
7814 1 16 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.172 0.368 17827
7815 1 16 . 1 1 65 65 TRP C C 58 178.390 178.390 177.852 0.538 17827
7816 1 16 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.014 -5.154 17827
7817 1 16 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.467 -0.047 17827
7818 1 16 . 1 1 65 65 TRP H H 58 8.790 8.790 8.515 0.275 17827
7819 1 16 . 1 1 66 66 SER N N 59 117.724 117.724 114.592 3.132 17827
7820 1 16 . 1 1 66 66 SER HA H 59 4.143 4.143 4.272 -0.129 17827
7821 1 16 . 1 1 66 66 SER C C 59 174.471 174.471 174.446 0.025 17827
7822 1 16 . 1 1 66 66 SER CA C 59 62.350 62.350 60.530 1.820 17827
7823 1 16 . 1 1 66 66 SER CB C 59 63.110 63.110 62.740 0.370 17827
7824 1 16 . 1 1 66 66 SER H H 59 8.637 8.637 8.325 0.312 17827
7825 1 16 . 1 1 67 67 ASP N N 60 121.042 121.042 120.122 0.920 17827
7826 1 16 . 1 1 67 67 ASP C C 60 176.206 176.206 175.404 0.802 17827
7827 1 16 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.785 0.775 17827
7828 1 16 . 1 1 67 67 ASP H H 60 8.895 8.895 7.911 0.984 17827
7829 1 16 . 1 1 68 68 HIS N N 61 121.519 121.519 118.179 3.340 17827
7830 1 16 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.373 0.117 17827
7831 1 16 . 1 1 68 68 HIS C C 61 174.546 174.546 174.191 0.355 17827
7832 1 16 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.301 3.639 17827
7833 1 16 . 1 1 68 68 HIS CB C 61 39.410 39.410 29.956 9.454 17827
7834 1 16 . 1 1 68 68 HIS H H 61 7.958 7.958 7.483 0.475 17827
7835 1 16 . 1 1 69 69 ALA N N 62 122.256 122.256 119.225 3.031 17827
7836 1 16 . 1 1 69 69 ALA C C 62 175.294 175.294 174.596 0.698 17827
7837 1 16 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.301 0.169 17827
7838 1 16 . 1 1 69 69 ALA H H 62 8.575 8.575 8.261 0.314 17827
7839 1 16 . 1 1 70 70 LEU N N 63 118.904 118.904 120.665 -1.761 17827
7840 1 16 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.836 0.818 17827
7841 1 16 . 1 1 70 70 LEU C C 63 174.445 174.445 176.483 -2.038 17827
7842 1 16 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.074 0.856 17827
7843 1 16 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.072 2.228 17827
7844 1 16 . 1 1 70 70 LEU H H 63 9.150 9.150 8.666 0.484 17827
7845 1 16 . 1 1 71 71 TRP N N 64 125.367 125.367 126.975 -1.608 17827
7846 1 16 . 1 1 71 71 TRP C C 64 174.010 174.010 174.783 -0.773 17827
7847 1 16 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.335 1.875 17827
7848 1 16 . 1 1 71 71 TRP H H 64 9.590 9.590 8.552 1.038 17827
7849 1 16 . 1 1 72 72 TRP N N 65 129.982 129.982 129.992 -0.010 17827
7850 1 16 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.526 0.454 17827
7851 1 16 . 1 1 72 72 TRP C C 65 174.335 174.335 175.872 -1.537 17827
7852 1 16 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.572 -4.132 17827
7853 1 16 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.092 0.398 17827
7854 1 16 . 1 1 72 72 TRP H H 65 8.277 8.277 8.324 -0.047 17827
7855 1 16 . 1 1 73 73 GLU N N 66 129.112 129.112 126.405 2.707 17827
7856 1 16 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.656 -0.356 17827
7857 1 16 . 1 1 73 73 GLU C C 66 178.595 178.595 176.494 2.101 17827
7858 1 16 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.672 1.248 17827
7859 1 16 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.928 0.132 17827
7860 1 16 . 1 1 73 73 GLU H H 66 8.969 8.969 8.748 0.221 17827
7861 1 16 . 1 1 74 74 LYS N N 67 117.492 117.492 118.726 -1.234 17827
7862 1 16 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.620 0.082 17827
7863 1 16 . 1 1 74 74 LYS C C 67 176.361 176.361 177.017 -0.656 17827
7864 1 16 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.114 0.546 17827
7865 1 16 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.147 0.873 17827
7866 1 16 . 1 1 74 74 LYS H H 67 7.860 7.860 7.878 -0.018 17827
7867 1 16 . 1 1 75 75 LYS N N 68 121.233 121.233 115.320 5.913 17827
7868 1 16 . 1 1 75 75 LYS HA H 68 3.935 3.935 3.997 -0.062 17827
7869 1 16 . 1 1 75 75 LYS C C 68 174.183 174.183 175.721 -1.538 17827
7870 1 16 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.510 -2.110 17827
7871 1 16 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.238 -1.038 17827
7872 1 16 . 1 1 75 75 LYS H H 68 7.500 7.500 6.677 0.823 17827
7873 1 16 . 1 1 76 76 ARG N N 69 121.125 121.125 115.835 5.290 17827
7874 1 16 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.860 0.030 17827
7875 1 16 . 1 1 76 76 ARG C C 69 173.984 173.984 174.046 -0.062 17827
7876 1 16 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.780 0.536 17827
7877 1 16 . 1 1 76 76 ARG CB C 69 27.090 27.090 25.804 1.286 17827
7878 1 16 . 1 1 76 76 ARG H H 69 7.500 7.500 7.949 -0.449 17827
7879 1 16 . 1 1 77 77 THR N N 70 110.478 110.478 112.674 -2.196 17827
7880 1 16 . 1 1 77 77 THR HA H 70 4.650 4.650 3.627 1.023 17827
7881 1 16 . 1 1 77 77 THR C C 70 171.846 171.846 172.763 -0.917 17827
7882 1 16 . 1 1 77 77 THR CA C 70 61.630 61.630 60.271 1.359 17827
7883 1 16 . 1 1 77 77 THR CB C 70 72.210 72.210 70.806 1.403 17827
7884 1 16 . 1 1 77 77 THR H H 70 6.280 6.280 7.009 -0.729 17827
7885 1 16 . 1 1 78 78 TRP N N 71 127.244 127.244 125.805 1.439 17827
7886 1 16 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.338 -0.588 17827
7887 1 16 . 1 1 78 78 TRP C C 71 177.303 177.303 176.528 0.775 17827
7888 1 16 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.286 -0.046 17827
7889 1 16 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.216 0.284 17827
7890 1 16 . 1 1 78 78 TRP H H 71 8.795 8.795 8.011 0.784 17827
7891 1 16 . 1 1 79 79 LEU N N 72 125.202 125.202 122.193 3.009 17827
7892 1 16 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.704 -0.204 17827
7893 1 16 . 1 1 79 79 LEU C C 72 175.667 175.667 176.662 -0.995 17827
7894 1 16 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.214 -1.704 17827
7895 1 16 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.764 -2.524 17827
7896 1 16 . 1 1 79 79 LEU H H 72 9.175 9.175 8.209 0.966 17827
7897 1 16 . 1 1 80 80 LEU N N 73 119.170 119.170 123.526 -4.356 17827
7898 1 16 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.501 -0.121 17827
7899 1 16 . 1 1 80 80 LEU C C 73 178.139 178.139 176.989 1.150 17827
7900 1 16 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.603 -0.903 17827
7901 1 16 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.829 -0.659 17827
7902 1 16 . 1 1 80 80 LEU H H 73 7.280 7.280 8.298 -1.018 17827
7903 1 16 . 1 1 81 81 LYS N N 74 119.766 119.766 118.249 1.517 17827
7904 1 16 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.366 0.069 17827
7905 1 16 . 1 1 81 81 LYS C C 74 176.601 176.601 177.127 -0.526 17827
7906 1 16 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.631 -1.971 17827
7907 1 16 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.542 -5.002 17827
7908 1 16 . 1 1 81 81 LYS H H 74 7.865 7.865 7.785 0.080 17827
7909 1 16 . 1 1 82 82 THR N N 75 115.636 115.636 114.472 1.164 17827
7910 1 16 . 1 1 82 82 THR HA H 75 3.800 3.800 4.329 -0.529 17827
7911 1 16 . 1 1 82 82 THR C C 75 174.806 174.806 175.282 -0.476 17827
7912 1 16 . 1 1 82 82 THR CA C 75 64.650 64.650 64.278 0.372 17827
7913 1 16 . 1 1 82 82 THR CB C 75 68.260 68.260 68.907 -0.647 17827
7914 1 16 . 1 1 82 82 THR H H 75 7.910 7.910 8.743 -0.833 17827
7915 1 16 . 1 1 83 83 HIS N N 76 116.767 116.767 118.447 -1.680 17827
7916 1 16 . 1 1 83 83 HIS C C 76 176.370 176.370 174.937 1.433 17827
7917 1 16 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.369 0.841 17827
7918 1 16 . 1 1 83 83 HIS H H 76 8.965 8.965 8.285 0.680 17827
7919 1 16 . 1 1 84 84 TRP N N 77 123.905 123.905 119.414 4.491 17827
7920 1 16 . 1 1 84 84 TRP C C 77 175.584 175.584 175.142 0.442 17827
7921 1 16 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.890 1.500 17827
7922 1 16 . 1 1 84 84 TRP H H 77 7.635 7.635 7.409 0.226 17827
7923 1 16 . 1 1 85 85 THR N N 78 108.440 108.440 115.170 -6.730 17827
7924 1 16 . 1 1 85 85 THR HA H 78 4.900 4.900 4.118 0.782 17827
7925 1 16 . 1 1 85 85 THR C C 78 175.691 175.691 176.141 -0.450 17827
7926 1 16 . 1 1 85 85 THR CA C 78 59.500 59.500 63.726 -4.226 17827
7927 1 16 . 1 1 85 85 THR CB C 78 70.600 70.600 69.577 1.023 17827
7928 1 16 . 1 1 85 85 THR H H 78 7.030 7.030 7.540 -0.510 17827
7929 1 16 . 1 1 86 86 LEU N N 79 119.766 119.766 120.615 -0.849 17827
7930 1 16 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.240 -0.200 17827
7931 1 16 . 1 1 86 86 LEU C C 79 179.734 179.734 179.128 0.606 17827
7932 1 16 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.349 0.401 17827
7933 1 16 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.028 0.422 17827
7934 1 16 . 1 1 86 86 LEU H H 79 8.045 8.045 8.971 -0.926 17827
7935 1 16 . 1 1 87 87 ASP N N 80 118.407 118.407 119.388 -0.981 17827
7936 1 16 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.393 0.047 17827
7937 1 16 . 1 1 87 87 ASP C C 80 179.152 179.152 178.317 0.835 17827
7938 1 16 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.108 0.212 17827
7939 1 16 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.526 -0.206 17827
7940 1 16 . 1 1 87 87 ASP H H 80 8.935 8.935 8.789 0.146 17827
7941 1 16 . 1 1 88 88 LYS N N 81 123.300 123.300 119.233 4.067 17827
7942 1 16 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.901 -0.201 17827
7943 1 16 . 1 1 88 88 LYS C C 81 178.721 178.721 179.401 -0.680 17827
7944 1 16 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.050 -0.030 17827
7945 1 16 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.905 -0.265 17827
7946 1 16 . 1 1 88 88 LYS H H 81 8.055 8.055 8.324 -0.269 17827
7947 1 16 . 1 1 89 89 TYR N N 82 115.690 115.690 116.960 -1.270 17827
7948 1 16 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.581 -0.001 17827
7949 1 16 . 1 1 89 89 TYR C C 82 176.164 176.164 176.690 -0.526 17827
7950 1 16 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.750 2.000 17827
7951 1 16 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.296 1.454 17827
7952 1 16 . 1 1 89 89 TYR H H 82 7.730 7.730 7.595 0.135 17827
7953 1 16 . 1 1 90 90 GLY N N 83 108.212 108.212 106.796 1.416 17827
7954 1 16 . 1 1 90 90 GLY C C 83 174.555 174.555 174.415 0.140 17827
7955 1 16 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.925 0.585 17827
7956 1 16 . 1 1 90 90 GLY H H 83 8.030 8.030 7.893 0.137 17827
7957 1 16 . 1 1 91 91 ILE N N 84 122.960 122.960 120.339 2.621 17827
7958 1 16 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.244 -0.874 17827
7959 1 16 . 1 1 91 91 ILE C C 84 173.611 173.611 175.127 -1.516 17827
7960 1 16 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.009 0.691 17827
7961 1 16 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.447 -1.837 17827
7962 1 16 . 1 1 91 91 ILE H H 84 7.850 7.850 8.033 -0.183 17827
7963 1 16 . 1 1 92 92 GLN N N 85 125.429 125.429 123.490 1.939 17827
7964 1 16 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.998 -0.118 17827
7965 1 16 . 1 1 92 92 GLN C C 85 174.756 174.756 175.923 -1.167 17827
7966 1 16 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.865 -1.145 17827
7967 1 16 . 1 1 92 92 GLN CB C 85 31.150 31.150 31.447 -0.297 17827
7968 1 16 . 1 1 92 92 GLN H H 85 7.700 7.700 8.383 -0.683 17827
7969 1 16 . 1 1 93 93 ALA N N 86 118.217 118.217 121.201 -2.984 17827
7970 1 16 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.094 -0.294 17827
7971 1 16 . 1 1 93 93 ALA C C 86 177.201 177.201 177.188 0.013 17827
7972 1 16 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.058 1.022 17827
7973 1 16 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.658 -0.248 17827
7974 1 16 . 1 1 93 93 ALA H H 86 6.886 6.886 8.066 -1.180 17827
7975 1 16 . 1 1 94 94 ASP N N 87 113.647 113.647 116.639 -2.992 17827
7976 1 16 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.529 -0.109 17827
7977 1 16 . 1 1 94 94 ASP C C 87 176.218 176.218 175.104 1.114 17827
7978 1 16 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.622 0.438 17827
7979 1 16 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.973 -1.373 17827
7980 1 16 . 1 1 94 94 ASP H H 87 8.223 8.223 8.045 0.178 17827
7981 1 16 . 1 1 95 95 ALA N N 88 124.145 124.145 122.530 1.615 17827
7982 1 16 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.660 -0.354 17827
7983 1 16 . 1 1 95 95 ALA C C 88 176.630 176.630 176.513 0.117 17827
7984 1 16 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.629 1.692 17827
7985 1 16 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.713 0.307 17827
7986 1 16 . 1 1 95 95 ALA H H 88 7.941 7.941 7.102 0.839 17827
7987 1 16 . 1 1 96 96 LYS N N 89 120.897 120.897 126.227 -5.330 17827
7988 1 16 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.752 0.074 17827
7989 1 16 . 1 1 96 96 LYS C C 89 176.161 176.161 176.150 0.011 17827
7990 1 16 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.156 -0.420 17827
7991 1 16 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.320 0.070 17827
7992 1 16 . 1 1 96 96 LYS H H 89 8.500 8.500 8.655 -0.155 17827
7993 1 16 . 1 1 97 97 LEU N N 90 122.960 122.960 124.049 -1.089 17827
7994 1 16 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.232 0.843 17827
7995 1 16 . 1 1 97 97 LEU C C 90 176.394 176.394 177.193 -0.799 17827
7996 1 16 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.823 -1.763 17827
7997 1 16 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.825 2.025 17827
7998 1 16 . 1 1 97 97 LEU H H 90 8.566 8.566 8.750 -0.184 17827
7999 1 16 . 1 1 98 98 GLN N N 91 119.538 119.538 115.773 3.765 17827
8000 1 16 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.884 0.826 17827
8001 1 16 . 1 1 98 98 GLN C C 91 174.144 174.144 174.581 -0.437 17827
8002 1 16 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.631 -0.271 17827
8003 1 16 . 1 1 98 98 GLN CB C 91 32.290 32.290 33.014 -0.724 17827
8004 1 16 . 1 1 98 98 GLN H H 91 9.060 9.060 8.011 1.049 17827
8005 1 16 . 1 1 99 99 PHE N N 92 125.674 125.674 120.135 5.539 17827
8006 1 16 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.268 0.432 17827
8007 1 16 . 1 1 99 99 PHE C C 92 174.537 174.537 173.931 0.606 17827
8008 1 16 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.666 -2.476 17827
8009 1 16 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.685 -2.605 17827
8010 1 16 . 1 1 99 99 PHE H H 92 9.290 9.290 9.734 -0.444 17827
8011 1 16 . 1 1 100 100 THR N N 93 124.543 124.543 117.677 6.866 17827
8012 1 16 . 1 1 100 100 THR HA H 93 5.100 5.100 4.874 0.226 17827
8013 1 16 . 1 1 100 100 THR C C 93 180.164 180.164 171.699 8.465 17827
8014 1 16 . 1 1 100 100 THR CA C 93 58.830 58.830 59.278 -0.448 17827
8015 1 16 . 1 1 100 100 THR CB C 93 73.610 73.610 71.272 2.338 17827
8016 1 16 . 1 1 100 100 THR H H 93 8.945 8.945 8.605 0.340 17827
8017 1 17 . 1 1 9 9 ALA N N 2 124.336 124.336 123.237 1.099 17827
8018 1 17 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.548 -0.338 17827
8019 1 17 . 1 1 9 9 ALA C C 2 177.598 177.598 176.106 1.492 17827
8020 1 17 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.058 0.382 17827
8021 1 17 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.642 -0.612 17827
8022 1 17 . 1 1 9 9 ALA H H 2 8.018 8.018 8.125 -0.107 17827
8023 1 17 . 1 1 10 10 LEU N N 3 121.125 121.125 121.521 -0.396 17827
8024 1 17 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.176 0.034 17827
8025 1 17 . 1 1 10 10 LEU C C 3 177.094 177.094 177.007 0.087 17827
8026 1 17 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.519 -1.199 17827
8027 1 17 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.312 -0.142 17827
8028 1 17 . 1 1 10 10 LEU H H 3 8.057 8.057 8.332 -0.275 17827
8029 1 17 . 1 1 11 11 ASP N N 4 119.766 119.766 117.151 2.615 17827
8030 1 17 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.733 -0.258 17827
8031 1 17 . 1 1 11 11 ASP C C 4 176.509 176.509 177.707 -1.198 17827
8032 1 17 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.036 0.514 17827
8033 1 17 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.005 -0.056 17827
8034 1 17 . 1 1 11 11 ASP H H 4 8.145 8.145 8.059 0.086 17827
8035 1 17 . 1 1 12 12 GLY N N 5 108.440 108.440 110.237 -1.797 17827
8036 1 17 . 1 1 12 12 GLY C C 5 173.692 173.692 176.059 -2.367 17827
8037 1 17 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.639 -1.329 17827
8038 1 17 . 1 1 12 12 GLY H H 5 8.110 8.110 8.396 -0.286 17827
8039 1 17 . 1 1 13 13 ILE N N 6 119.766 119.766 120.908 -1.142 17827
8040 1 17 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827
8041 1 17 . 1 1 13 13 ILE C C 6 175.525 175.525 178.023 -2.498 17827
8042 1 17 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.028 -2.318 17827
8043 1 17 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.106 1.324 17827
8044 1 17 . 1 1 13 13 ILE H H 6 7.790 7.790 7.945 -0.155 17827
8045 1 17 . 1 1 14 14 ARG N N 7 125.657 125.657 118.527 7.130 17827
8046 1 17 . 1 1 14 14 ARG HA H 7 4.210 4.210 3.971 0.239 17827
8047 1 17 . 1 1 14 14 ARG C C 7 175.810 175.810 177.016 -1.206 17827
8048 1 17 . 1 1 14 14 ARG CA C 7 55.640 55.640 59.085 -3.445 17827
8049 1 17 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.583 0.407 17827
8050 1 17 . 1 1 14 14 ARG H H 7 8.410 8.410 8.165 0.245 17827
8051 1 17 . 1 1 15 15 MET N N 8 123.598 123.598 110.397 13.201 17827
8052 1 17 . 1 1 15 15 MET HA H 8 4.210 4.210 4.987 -0.777 17827
8053 1 17 . 1 1 15 15 MET C C 8 174.950 174.950 174.265 0.685 17827
8054 1 17 . 1 1 15 15 MET CA C 8 55.330 55.330 57.338 -2.008 17827
8055 1 17 . 1 1 15 15 MET CB C 8 31.730 31.730 30.814 0.916 17827
8056 1 17 . 1 1 15 15 MET H H 8 8.495 8.495 7.640 0.855 17827
8057 1 17 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.166 0.124 17827
8058 1 17 . 1 1 16 16 PRO C C 9 176.228 176.228 177.318 -1.090 17827
8059 1 17 . 1 1 16 16 PRO CA C 9 63.370 63.370 66.179 -2.809 17827
8060 1 17 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.209 0.611 17827
8061 1 17 . 1 1 17 17 ASP N N 10 117.952 117.952 113.083 4.869 17827
8062 1 17 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.768 -0.348 17827
8063 1 17 . 1 1 17 17 ASP C C 10 176.714 176.714 176.894 -0.180 17827
8064 1 17 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.145 -0.015 17827
8065 1 17 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.300 -0.870 17827
8066 1 17 . 1 1 17 17 ASP H H 10 8.076 8.076 7.681 0.395 17827
8067 1 17 . 1 1 18 18 GLY N N 11 108.663 108.663 106.232 2.431 17827
8068 1 17 . 1 1 18 18 GLY C C 11 173.819 173.819 174.130 -0.311 17827
8069 1 17 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.250 0.050 17827
8070 1 17 . 1 1 18 18 GLY H H 11 8.255 8.255 8.216 0.039 17827
8071 1 17 . 1 1 19 19 CYS N N 12 118.179 118.179 120.716 -2.537 17827
8072 1 17 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.386 0.164 17827
8073 1 17 . 1 1 19 19 CYS C C 12 174.073 174.073 174.475 -0.402 17827
8074 1 17 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.158 -2.738 17827
8075 1 17 . 1 1 19 19 CYS CB C 12 28.400 28.400 29.056 -0.656 17827
8076 1 17 . 1 1 19 19 CYS H H 12 7.850 7.850 8.716 -0.866 17827
8077 1 17 . 1 1 20 20 TYR N N 13 120.897 120.897 120.533 0.364 17827
8078 1 17 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.513 0.037 17827
8079 1 17 . 1 1 20 20 TYR C C 13 176.748 176.748 175.177 1.571 17827
8080 1 17 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.856 0.614 17827
8081 1 17 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.877 0.334 17827
8082 1 17 . 1 1 20 20 TYR H H 13 8.550 8.550 7.955 0.595 17827
8083 1 17 . 1 1 21 21 ALA N N 14 124.750 124.750 128.893 -4.143 17827
8084 1 17 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.277 -0.087 17827
8085 1 17 . 1 1 21 21 ALA C C 14 177.181 177.181 177.239 -0.058 17827
8086 1 17 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.657 -0.127 17827
8087 1 17 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.481 -0.851 17827
8088 1 17 . 1 1 21 21 ALA H H 14 8.615 8.615 8.683 -0.068 17827
8089 1 17 . 1 1 22 22 ASP N N 15 117.500 117.500 116.675 0.825 17827
8090 1 17 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.544 -0.064 17827
8091 1 17 . 1 1 22 22 ASP C C 15 176.708 176.708 176.599 0.109 17827
8092 1 17 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.922 -0.422 17827
8093 1 17 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.224 -0.494 17827
8094 1 17 . 1 1 22 22 ASP H H 15 7.960 7.960 7.705 0.256 17827
8095 1 17 . 1 1 23 23 GLY N N 16 108.891 108.891 109.001 -0.110 17827
8096 1 17 . 1 1 23 23 GLY C C 16 174.373 174.373 173.701 0.672 17827
8097 1 17 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.806 -0.436 17827
8098 1 17 . 1 1 23 23 GLY H H 16 8.344 8.344 8.242 0.102 17827
8099 1 17 . 1 1 24 24 THR N N 17 110.929 110.929 113.981 -3.052 17827
8100 1 17 . 1 1 24 24 THR HA H 17 4.640 4.640 3.808 0.832 17827
8101 1 17 . 1 1 24 24 THR C C 17 173.620 173.620 173.310 0.310 17827
8102 1 17 . 1 1 24 24 THR CA C 17 60.540 60.540 61.016 -0.476 17827
8103 1 17 . 1 1 24 24 THR CB C 17 72.100 72.100 69.661 2.439 17827
8104 1 17 . 1 1 24 24 THR H H 17 7.850 7.850 7.398 0.452 17827
8105 1 17 . 1 1 25 25 TRP N N 18 117.728 117.728 118.808 -1.080 17827
8106 1 17 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.843 0.102 17827
8107 1 17 . 1 1 25 25 TRP C C 18 174.164 174.164 173.737 0.427 17827
8108 1 17 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.526 -1.906 17827
8109 1 17 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.079 0.571 17827
8110 1 17 . 1 1 25 25 TRP H H 18 8.640 8.640 7.720 0.920 17827
8111 1 17 . 1 1 26 26 GLU N N 19 117.728 117.728 118.932 -1.204 17827
8112 1 17 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.848 0.003 17827
8113 1 17 . 1 1 26 26 GLU C C 19 174.786 174.786 174.513 0.273 17827
8114 1 17 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.813 0.896 17827
8115 1 17 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.497 -0.997 17827
8116 1 17 . 1 1 26 26 GLU H H 19 8.744 8.744 8.487 0.257 17827
8117 1 17 . 1 1 27 27 LEU N N 20 126.668 126.668 119.443 7.225 17827
8118 1 17 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.708 0.172 17827
8119 1 17 . 1 1 27 27 LEU C C 20 175.123 175.123 175.301 -0.178 17827
8120 1 17 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.509 -0.257 17827
8121 1 17 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.779 -1.499 17827
8122 1 17 . 1 1 27 27 LEU H H 20 8.980 8.980 8.748 0.232 17827
8123 1 17 . 1 1 28 28 SER N N 21 121.804 121.804 117.452 4.352 17827
8124 1 17 . 1 1 28 28 SER HA H 21 4.894 4.894 5.043 -0.149 17827
8125 1 17 . 1 1 28 28 SER C C 21 173.483 173.483 172.790 0.693 17827
8126 1 17 . 1 1 28 28 SER CA C 21 57.880 57.880 56.696 1.184 17827
8127 1 17 . 1 1 28 28 SER CB C 21 63.920 63.920 64.489 -0.569 17827
8128 1 17 . 1 1 28 28 SER H H 21 8.785 8.785 8.411 0.374 17827
8129 1 17 . 1 1 29 29 VAL N N 22 125.881 125.881 122.357 3.524 17827
8130 1 17 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.434 -0.064 17827
8131 1 17 . 1 1 29 29 VAL C C 22 173.953 173.953 174.769 -0.816 17827
8132 1 17 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.093 0.347 17827
8133 1 17 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.564 -1.214 17827
8134 1 17 . 1 1 29 29 VAL H H 22 8.865 8.865 8.306 0.559 17827
8135 1 17 . 1 1 30 30 HIS N N 23 126.560 126.560 122.894 3.666 17827
8136 1 17 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.765 0.455 17827
8137 1 17 . 1 1 30 30 HIS C C 23 174.596 174.596 174.290 0.306 17827
8138 1 17 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.440 -0.190 17827
8139 1 17 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.256 -2.706 17827
8140 1 17 . 1 1 30 30 HIS H H 23 8.810 8.810 8.542 0.268 17827
8141 1 17 . 1 1 31 31 VAL N N 24 130.587 130.587 128.093 2.494 17827
8142 1 17 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.607 0.623 17827
8143 1 17 . 1 1 31 31 VAL C C 24 177.426 177.426 175.755 1.671 17827
8144 1 17 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.483 -6.953 17827
8145 1 17 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.249 -0.209 17827
8146 1 17 . 1 1 31 31 VAL H H 24 9.043 9.043 8.762 0.281 17827
8147 1 17 . 1 1 32 32 THR N N 25 122.484 122.484 119.817 2.667 17827
8148 1 17 . 1 1 32 32 THR HA H 25 3.970 3.970 4.561 -0.591 17827
8149 1 17 . 1 1 32 32 THR C C 25 177.437 177.437 175.490 1.947 17827
8150 1 17 . 1 1 32 32 THR CA C 25 66.470 66.470 61.793 4.677 17827
8151 1 17 . 1 1 32 32 THR CB C 25 68.220 68.220 70.213 -1.993 17827
8152 1 17 . 1 1 32 32 THR H H 25 8.245 8.245 8.643 -0.398 17827
8153 1 17 . 1 1 34 34 VAL N N 27 114.090 114.090 118.077 -3.987 17827
8154 1 17 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.167 0.333 17827
8155 1 17 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.530 -8.310 17827
8156 1 17 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.697 -6.637 17827
8157 1 17 . 1 1 34 34 VAL H H 27 6.977 6.977 7.386 -0.409 17827
8158 1 17 . 1 1 35 35 ASN N N 28 116.829 116.829 115.139 1.690 17827
8159 1 17 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.441 -0.142 17827
8160 1 17 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.158 -0.508 17827
8161 1 17 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.933 -0.823 17827
8162 1 17 . 1 1 35 35 ASN H H 28 7.897 7.897 8.350 -0.453 17827
8163 1 17 . 1 1 36 36 ARG N N 29 114.310 114.310 117.446 -3.136 17827
8164 1 17 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.656 0.044 17827
8165 1 17 . 1 1 36 36 ARG C C 29 173.347 173.347 174.179 -0.832 17827
8166 1 17 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.817 0.083 17827
8167 1 17 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.033 2.667 17827
8168 1 17 . 1 1 36 36 ARG H H 29 6.787 6.787 7.643 -0.856 17827
8169 1 17 . 1 1 37 37 ASP N N 30 124.071 124.071 118.005 6.066 17827
8170 1 17 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.649 0.826 17827
8171 1 17 . 1 1 37 37 ASP C C 30 175.354 175.354 174.500 0.854 17827
8172 1 17 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.419 0.241 17827
8173 1 17 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.477 -0.217 17827
8174 1 17 . 1 1 37 37 ASP H H 30 8.760 8.760 8.408 0.352 17827
8175 1 17 . 1 1 38 38 VAL N N 31 123.300 123.300 118.658 4.642 17827
8176 1 17 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827
8177 1 17 . 1 1 38 38 VAL C C 31 174.203 174.203 174.404 -0.201 17827
8178 1 17 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.788 0.912 17827
8179 1 17 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.321 -1.701 17827
8180 1 17 . 1 1 38 38 VAL H H 31 9.187 9.187 7.988 1.199 17827
8181 1 17 . 1 1 39 39 THR N N 32 119.766 119.766 113.685 6.081 17827
8182 1 17 . 1 1 39 39 THR HA H 32 5.095 5.095 4.888 0.207 17827
8183 1 17 . 1 1 39 39 THR C C 32 173.547 173.547 173.091 0.456 17827
8184 1 17 . 1 1 39 39 THR CA C 32 60.550 60.550 60.054 0.496 17827
8185 1 17 . 1 1 39 39 THR CB C 32 70.170 70.170 71.114 -0.944 17827
8186 1 17 . 1 1 39 39 THR H H 32 8.360 8.360 8.134 0.226 17827
8187 1 17 . 1 1 40 40 LEU N N 33 124.522 124.522 122.745 1.777 17827
8188 1 17 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.590 0.000 17827
8189 1 17 . 1 1 40 40 LEU C C 33 174.691 174.691 175.734 -1.043 17827
8190 1 17 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.714 -1.133 17827
8191 1 17 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.168 1.242 17827
8192 1 17 . 1 1 40 40 LEU H H 33 8.750 8.750 8.089 0.661 17827
8193 1 17 . 1 1 41 41 ARG N N 34 122.712 122.712 124.381 -1.669 17827
8194 1 17 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.710 -0.030 17827
8195 1 17 . 1 1 41 41 ARG C C 34 175.700 175.700 174.496 1.204 17827
8196 1 17 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.088 0.332 17827
8197 1 17 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.393 0.107 17827
8198 1 17 . 1 1 41 41 ARG H H 34 8.345 8.345 8.715 -0.370 17827
8199 1 17 . 1 1 42 42 VAL N N 35 117.728 117.728 116.808 0.920 17827
8200 1 17 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.573 -0.108 17827
8201 1 17 . 1 1 42 42 VAL C C 35 173.184 173.184 173.938 -0.754 17827
8202 1 17 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.900 -0.230 17827
8203 1 17 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.967 1.083 17827
8204 1 17 . 1 1 42 42 VAL H H 35 8.640 8.640 7.776 0.864 17827
8205 1 17 . 1 1 43 43 THR N N 36 104.359 104.359 109.322 -4.963 17827
8206 1 17 . 1 1 43 43 THR HA H 36 4.660 4.660 2.573 2.087 17827
8207 1 17 . 1 1 43 43 THR C C 36 174.862 174.862 174.984 -0.122 17827
8208 1 17 . 1 1 43 43 THR CA C 36 59.010 59.010 59.079 -0.069 17827
8209 1 17 . 1 1 43 43 THR CB C 36 71.570 71.570 71.383 0.187 17827
8210 1 17 . 1 1 43 43 THR H H 36 6.220 6.220 7.974 -1.754 17827
8211 1 17 . 1 1 44 44 GLY N N 37 105.946 105.946 107.871 -1.925 17827
8212 1 17 . 1 1 44 44 GLY C C 37 173.394 173.394 174.402 -1.008 17827
8213 1 17 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.300 -0.469 17827
8214 1 17 . 1 1 44 44 GLY H H 37 9.160 9.160 8.659 0.501 17827
8215 1 17 . 1 1 45 45 GLU N N 38 113.875 113.875 117.058 -3.183 17827
8216 1 17 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.301 -0.011 17827
8217 1 17 . 1 1 45 45 GLU C C 38 176.167 176.167 176.705 -0.538 17827
8218 1 17 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.568 -0.068 17827
8219 1 17 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.513 1.437 17827
8220 1 17 . 1 1 45 45 GLU H H 38 7.500 7.500 7.254 0.246 17827
8221 1 17 . 1 1 46 46 VAL N N 39 121.577 121.577 122.461 -0.884 17827
8222 1 17 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.862 -0.042 17827
8223 1 17 . 1 1 46 46 VAL C C 39 174.651 174.651 175.133 -0.482 17827
8224 1 17 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.381 1.539 17827
8225 1 17 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.510 -0.920 17827
8226 1 17 . 1 1 46 46 VAL H H 39 7.260 7.260 7.642 -0.382 17827
8227 1 17 . 1 1 47 47 HIS N N 40 123.391 123.391 126.297 -2.906 17827
8228 1 17 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.606 0.606 17827
8229 1 17 . 1 1 47 47 HIS C C 40 177.440 177.440 176.288 1.152 17827
8230 1 17 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.614 -1.954 17827
8231 1 17 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.701 0.209 17827
8232 1 17 . 1 1 47 47 HIS H H 40 8.285 8.285 8.387 -0.102 17827
8233 1 17 . 1 1 48 48 ILE N N 41 124.071 124.071 124.549 -0.478 17827
8234 1 17 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.828 -0.298 17827
8235 1 17 . 1 1 48 48 ILE C C 41 178.941 178.941 177.722 1.219 17827
8236 1 17 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.469 -3.139 17827
8237 1 17 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.938 -3.708 17827
8238 1 17 . 1 1 48 48 ILE H H 41 8.863 8.863 8.533 0.330 17827
8239 1 17 . 1 1 49 49 GLY N N 42 106.853 106.853 104.403 2.450 17827
8240 1 17 . 1 1 49 49 GLY C C 42 175.669 175.669 175.312 0.357 17827
8241 1 17 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.282 -0.962 17827
8242 1 17 . 1 1 49 49 GLY H H 42 9.720 9.720 8.764 0.956 17827
8243 1 17 . 1 1 50 50 GLY N N 43 109.571 109.571 108.820 0.751 17827
8244 1 17 . 1 1 50 50 GLY C C 43 175.847 175.847 175.629 0.218 17827
8245 1 17 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.538 1.462 17827
8246 1 17 . 1 1 50 50 GLY H H 43 6.950 6.950 8.202 -1.252 17827
8247 1 17 . 1 1 51 51 VAL N N 44 123.163 123.163 124.650 -1.487 17827
8248 1 17 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.637 -0.522 17827
8249 1 17 . 1 1 51 51 VAL C C 44 176.804 176.804 178.136 -1.332 17827
8250 1 17 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.053 -0.393 17827
8251 1 17 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.649 -0.919 17827
8252 1 17 . 1 1 51 51 VAL H H 44 7.860 7.860 8.723 -0.863 17827
8253 1 17 . 1 1 52 52 MET N N 45 115.913 115.913 117.150 -1.237 17827
8254 1 17 . 1 1 52 52 MET HA H 45 3.410 3.410 4.366 -0.956 17827
8255 1 17 . 1 1 52 52 MET C C 45 176.881 176.881 178.096 -1.215 17827
8256 1 17 . 1 1 52 52 MET CA C 45 59.830 59.830 59.472 0.358 17827
8257 1 17 . 1 1 52 52 MET CB C 45 32.310 32.310 31.935 0.375 17827
8258 1 17 . 1 1 52 52 MET H H 45 7.940 7.940 7.742 0.198 17827
8259 1 17 . 1 1 53 53 LEU N N 46 118.291 118.291 121.799 -3.508 17827
8260 1 17 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.650 0.290 17827
8261 1 17 . 1 1 53 53 LEU C C 46 179.178 179.178 179.181 -0.003 17827
8262 1 17 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.838 0.662 17827
8263 1 17 . 1 1 53 53 LEU CB C 46 41.930 41.930 40.828 1.102 17827
8264 1 17 . 1 1 53 53 LEU H H 46 7.550 7.550 7.665 -0.115 17827
8265 1 17 . 1 1 54 54 LYS N N 47 118.142 118.142 118.782 -0.640 17827
8266 1 17 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.959 -0.089 17827
8267 1 17 . 1 1 54 54 LYS C C 47 178.616 178.616 179.186 -0.570 17827
8268 1 17 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.227 -1.248 17827
8269 1 17 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.009 0.311 17827
8270 1 17 . 1 1 54 54 LYS H H 47 7.665 7.665 8.550 -0.885 17827
8271 1 17 . 1 1 55 55 LEU N N 48 119.385 119.385 120.349 -0.964 17827
8272 1 17 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.271 -0.701 17827
8273 1 17 . 1 1 55 55 LEU C C 48 177.405 177.405 177.782 -0.377 17827
8274 1 17 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.782 0.008 17827
8275 1 17 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.156 -0.566 17827
8276 1 17 . 1 1 55 55 LEU H H 48 7.975 7.975 7.502 0.473 17827
8277 1 17 . 1 1 56 56 VAL N N 49 116.141 116.141 119.267 -3.126 17827
8278 1 17 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.628 -0.638 17827
8279 1 17 . 1 1 56 56 VAL C C 49 178.564 178.564 178.140 0.424 17827
8280 1 17 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.621 -0.311 17827
8281 1 17 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.779 -0.479 17827
8282 1 17 . 1 1 56 56 VAL H H 49 7.615 7.615 8.857 -1.242 17827
8283 1 17 . 1 1 57 57 GLU N N 50 118.631 118.631 117.574 1.057 17827
8284 1 17 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.995 -0.030 17827
8285 1 17 . 1 1 57 57 GLU C C 50 178.030 178.030 177.770 0.260 17827
8286 1 17 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.901 -0.401 17827
8287 1 17 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.647 -0.037 17827
8288 1 17 . 1 1 57 57 GLU H H 50 7.575 7.575 8.678 -1.103 17827
8289 1 17 . 1 1 58 58 LYS N N 51 117.053 117.053 118.385 -1.332 17827
8290 1 17 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.012 0.118 17827
8291 1 17 . 1 1 58 58 LYS C C 51 176.956 176.956 178.018 -1.062 17827
8292 1 17 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.320 -1.660 17827
8293 1 17 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.810 -0.150 17827
8294 1 17 . 1 1 58 58 LYS H H 51 7.490 7.490 7.386 0.104 17827
8295 1 17 . 1 1 59 59 LEU N N 52 119.460 119.460 118.263 1.197 17827
8296 1 17 . 1 1 59 59 LEU HA H 52 4.122 4.122 3.984 0.138 17827
8297 1 17 . 1 1 59 59 LEU C C 52 176.645 176.645 176.540 0.105 17827
8298 1 17 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.739 0.921 17827
8299 1 17 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.233 0.467 17827
8300 1 17 . 1 1 59 59 LEU H H 52 7.470 7.470 7.994 -0.524 17827
8301 1 17 . 1 1 62 62 LYS C C 55 175.670 175.670 176.108 -0.438 17827
8302 1 17 . 1 1 63 63 LYS N N 56 122.430 122.430 123.569 -1.139 17827
8303 1 17 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.379 -0.349 17827
8304 1 17 . 1 1 63 63 LYS C C 56 172.850 172.850 175.546 -2.696 17827
8305 1 17 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.225 -1.695 17827
8306 1 17 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.728 0.711 17827
8307 1 17 . 1 1 63 63 LYS H H 56 7.245 7.245 7.977 -0.732 17827
8308 1 17 . 1 1 64 64 ASP N N 57 118.867 118.867 120.288 -1.421 17827
8309 1 17 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.169 0.361 17827
8310 1 17 . 1 1 64 64 ASP C C 57 176.710 176.710 175.696 1.014 17827
8311 1 17 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.299 -1.799 17827
8312 1 17 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.386 -1.066 17827
8313 1 17 . 1 1 64 64 ASP H H 57 7.867 7.867 8.078 -0.211 17827
8314 1 17 . 1 1 65 65 TRP N N 58 128.827 128.827 121.524 7.303 17827
8315 1 17 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.719 -0.179 17827
8316 1 17 . 1 1 65 65 TRP C C 58 178.390 178.390 177.986 0.404 17827
8317 1 17 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.351 -5.491 17827
8318 1 17 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.618 0.802 17827
8319 1 17 . 1 1 65 65 TRP H H 58 8.790 8.790 7.980 0.810 17827
8320 1 17 . 1 1 66 66 SER N N 59 117.724 117.724 114.688 3.036 17827
8321 1 17 . 1 1 66 66 SER HA H 59 4.143 4.143 4.476 -0.333 17827
8322 1 17 . 1 1 66 66 SER C C 59 174.471 174.471 175.317 -0.846 17827
8323 1 17 . 1 1 66 66 SER CA C 59 62.350 62.350 60.418 1.932 17827
8324 1 17 . 1 1 66 66 SER CB C 59 63.110 63.110 63.150 -0.040 17827
8325 1 17 . 1 1 66 66 SER H H 59 8.637 8.637 8.197 0.440 17827
8326 1 17 . 1 1 67 67 ASP N N 60 121.042 121.042 120.297 0.745 17827
8327 1 17 . 1 1 67 67 ASP C C 60 176.206 176.206 176.467 -0.261 17827
8328 1 17 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.087 1.473 17827
8329 1 17 . 1 1 67 67 ASP H H 60 8.895 8.895 8.574 0.321 17827
8330 1 17 . 1 1 68 68 HIS N N 61 121.519 121.519 117.239 4.280 17827
8331 1 17 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.406 0.084 17827
8332 1 17 . 1 1 68 68 HIS C C 61 174.546 174.546 173.565 0.981 17827
8333 1 17 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.264 1.676 17827
8334 1 17 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.466 7.944 17827
8335 1 17 . 1 1 68 68 HIS H H 61 7.958 7.958 7.517 0.441 17827
8336 1 17 . 1 1 69 69 ALA N N 62 122.256 122.256 118.095 4.161 17827
8337 1 17 . 1 1 69 69 ALA C C 62 175.294 175.294 174.704 0.590 17827
8338 1 17 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.739 -0.269 17827
8339 1 17 . 1 1 69 69 ALA H H 62 8.575 8.575 8.781 -0.206 17827
8340 1 17 . 1 1 70 70 LEU N N 63 118.904 118.904 120.321 -1.417 17827
8341 1 17 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.846 0.808 17827
8342 1 17 . 1 1 70 70 LEU C C 63 174.445 174.445 176.485 -2.040 17827
8343 1 17 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.084 0.846 17827
8344 1 17 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.216 2.084 17827
8345 1 17 . 1 1 70 70 LEU H H 63 9.150 9.150 8.631 0.519 17827
8346 1 17 . 1 1 71 71 TRP N N 64 125.367 125.367 127.458 -2.091 17827
8347 1 17 . 1 1 71 71 TRP C C 64 174.010 174.010 175.059 -1.049 17827
8348 1 17 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.147 2.063 17827
8349 1 17 . 1 1 71 71 TRP H H 64 9.590 9.590 8.477 1.113 17827
8350 1 17 . 1 1 72 72 TRP N N 65 129.982 129.982 129.420 0.562 17827
8351 1 17 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.873 0.107 17827
8352 1 17 . 1 1 72 72 TRP C C 65 174.335 174.335 175.940 -1.605 17827
8353 1 17 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.183 -3.743 17827
8354 1 17 . 1 1 72 72 TRP CB C 65 30.490 30.490 32.228 -1.738 17827
8355 1 17 . 1 1 72 72 TRP H H 65 8.277 8.277 8.571 -0.294 17827
8356 1 17 . 1 1 73 73 GLU N N 66 129.112 129.112 126.527 2.585 17827
8357 1 17 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.657 -0.357 17827
8358 1 17 . 1 1 73 73 GLU C C 66 178.595 178.595 177.591 1.004 17827
8359 1 17 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.484 0.436 17827
8360 1 17 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.502 0.558 17827
8361 1 17 . 1 1 73 73 GLU H H 66 8.969 8.969 9.279 -0.310 17827
8362 1 17 . 1 1 74 74 LYS N N 67 117.492 117.492 118.019 -0.527 17827
8363 1 17 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.416 0.286 17827
8364 1 17 . 1 1 74 74 LYS C C 67 176.361 176.361 177.642 -1.281 17827
8365 1 17 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.159 0.501 17827
8366 1 17 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.547 0.473 17827
8367 1 17 . 1 1 74 74 LYS H H 67 7.860 7.860 6.662 1.198 17827
8368 1 17 . 1 1 75 75 LYS N N 68 121.233 121.233 114.938 6.295 17827
8369 1 17 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.358 -0.423 17827
8370 1 17 . 1 1 75 75 LYS C C 68 174.183 174.183 175.327 -1.144 17827
8371 1 17 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.286 -1.886 17827
8372 1 17 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.937 -1.737 17827
8373 1 17 . 1 1 75 75 LYS H H 68 7.500 7.500 7.284 0.216 17827
8374 1 17 . 1 1 76 76 ARG N N 69 121.125 121.125 117.095 4.030 17827
8375 1 17 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.045 -1.155 17827
8376 1 17 . 1 1 76 76 ARG C C 69 173.984 173.984 174.874 -0.890 17827
8377 1 17 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.453 -0.137 17827
8378 1 17 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.064 0.026 17827
8379 1 17 . 1 1 76 76 ARG H H 69 7.500 7.500 7.703 -0.203 17827
8380 1 17 . 1 1 77 77 THR N N 70 110.478 110.478 112.568 -2.090 17827
8381 1 17 . 1 1 77 77 THR HA H 70 4.650 4.650 4.469 0.181 17827
8382 1 17 . 1 1 77 77 THR C C 70 171.846 171.846 172.005 -0.159 17827
8383 1 17 . 1 1 77 77 THR CA C 70 61.630 61.630 60.297 1.333 17827
8384 1 17 . 1 1 77 77 THR CB C 70 72.210 72.210 71.155 1.055 17827
8385 1 17 . 1 1 77 77 THR H H 70 6.280 6.280 7.624 -1.344 17827
8386 1 17 . 1 1 78 78 TRP N N 71 127.244 127.244 118.752 8.492 17827
8387 1 17 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.345 -0.595 17827
8388 1 17 . 1 1 78 78 TRP C C 71 177.303 177.303 175.929 1.374 17827
8389 1 17 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.120 1.120 17827
8390 1 17 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.297 -0.797 17827
8391 1 17 . 1 1 78 78 TRP H H 71 8.795 8.795 8.316 0.479 17827
8392 1 17 . 1 1 79 79 LEU N N 72 125.202 125.202 122.870 2.332 17827
8393 1 17 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.753 -0.253 17827
8394 1 17 . 1 1 79 79 LEU C C 72 175.667 175.667 176.619 -0.952 17827
8395 1 17 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.366 -1.856 17827
8396 1 17 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.781 -2.541 17827
8397 1 17 . 1 1 79 79 LEU H H 72 9.175 9.175 8.355 0.820 17827
8398 1 17 . 1 1 80 80 LEU N N 73 119.170 119.170 123.757 -4.587 17827
8399 1 17 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.431 -0.051 17827
8400 1 17 . 1 1 80 80 LEU C C 73 178.139 178.139 176.854 1.285 17827
8401 1 17 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.709 -1.009 17827
8402 1 17 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.615 -0.445 17827
8403 1 17 . 1 1 80 80 LEU H H 73 7.280 7.280 8.267 -0.987 17827
8404 1 17 . 1 1 81 81 LYS N N 74 119.766 119.766 118.111 1.655 17827
8405 1 17 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.363 0.072 17827
8406 1 17 . 1 1 81 81 LYS C C 74 176.601 176.601 177.312 -0.711 17827
8407 1 17 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.601 -1.941 17827
8408 1 17 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.469 -4.929 17827
8409 1 17 . 1 1 81 81 LYS H H 74 7.865 7.865 7.754 0.111 17827
8410 1 17 . 1 1 82 82 THR N N 75 115.636 115.636 114.466 1.170 17827
8411 1 17 . 1 1 82 82 THR HA H 75 3.800 3.800 4.386 -0.586 17827
8412 1 17 . 1 1 82 82 THR C C 75 174.806 174.806 175.686 -0.880 17827
8413 1 17 . 1 1 82 82 THR CA C 75 64.650 64.650 64.235 0.415 17827
8414 1 17 . 1 1 82 82 THR CB C 75 68.260 68.260 68.971 -0.711 17827
8415 1 17 . 1 1 82 82 THR H H 75 7.910 7.910 8.724 -0.814 17827
8416 1 17 . 1 1 83 83 HIS N N 76 116.767 116.767 119.695 -2.928 17827
8417 1 17 . 1 1 83 83 HIS C C 76 176.370 176.370 174.725 1.645 17827
8418 1 17 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.604 0.606 17827
8419 1 17 . 1 1 83 83 HIS H H 76 8.965 8.965 8.604 0.361 17827
8420 1 17 . 1 1 84 84 TRP N N 77 123.905 123.905 119.436 4.469 17827
8421 1 17 . 1 1 84 84 TRP C C 77 175.584 175.584 175.342 0.242 17827
8422 1 17 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.219 1.171 17827
8423 1 17 . 1 1 84 84 TRP H H 77 7.635 7.635 7.538 0.097 17827
8424 1 17 . 1 1 85 85 THR N N 78 108.440 108.440 115.117 -6.677 17827
8425 1 17 . 1 1 85 85 THR HA H 78 4.900 4.900 4.272 0.628 17827
8426 1 17 . 1 1 85 85 THR C C 78 175.691 175.691 176.145 -0.454 17827
8427 1 17 . 1 1 85 85 THR CA C 78 59.500 59.500 63.856 -4.356 17827
8428 1 17 . 1 1 85 85 THR CB C 78 70.600 70.600 69.668 0.932 17827
8429 1 17 . 1 1 85 85 THR H H 78 7.030 7.030 7.762 -0.732 17827
8430 1 17 . 1 1 86 86 LEU N N 79 119.766 119.766 121.056 -1.290 17827
8431 1 17 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.073 -0.033 17827
8432 1 17 . 1 1 86 86 LEU C C 79 179.734 179.734 179.116 0.618 17827
8433 1 17 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.211 -0.461 17827
8434 1 17 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.793 -0.343 17827
8435 1 17 . 1 1 86 86 LEU H H 79 8.045 8.045 8.697 -0.652 17827
8436 1 17 . 1 1 87 87 ASP N N 80 118.407 118.407 119.998 -1.591 17827
8437 1 17 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.395 0.045 17827
8438 1 17 . 1 1 87 87 ASP C C 80 179.152 179.152 178.733 0.419 17827
8439 1 17 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.122 0.198 17827
8440 1 17 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.481 -0.161 17827
8441 1 17 . 1 1 87 87 ASP H H 80 8.935 8.935 8.852 0.083 17827
8442 1 17 . 1 1 88 88 LYS N N 81 123.300 123.300 120.251 3.049 17827
8443 1 17 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.902 -0.202 17827
8444 1 17 . 1 1 88 88 LYS C C 81 178.721 178.721 178.356 0.365 17827
8445 1 17 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.922 0.098 17827
8446 1 17 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.950 -0.310 17827
8447 1 17 . 1 1 88 88 LYS H H 81 8.055 8.055 8.093 -0.038 17827
8448 1 17 . 1 1 89 89 TYR N N 82 115.690 115.690 117.505 -1.815 17827
8449 1 17 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.717 -0.137 17827
8450 1 17 . 1 1 89 89 TYR C C 82 176.164 176.164 175.624 0.540 17827
8451 1 17 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.177 1.573 17827
8452 1 17 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.194 1.556 17827
8453 1 17 . 1 1 89 89 TYR H H 82 7.730 7.730 7.935 -0.205 17827
8454 1 17 . 1 1 90 90 GLY N N 83 108.212 108.212 106.876 1.336 17827
8455 1 17 . 1 1 90 90 GLY C C 83 174.555 174.555 174.457 0.098 17827
8456 1 17 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.082 0.428 17827
8457 1 17 . 1 1 90 90 GLY H H 83 8.030 8.030 7.990 0.040 17827
8458 1 17 . 1 1 91 91 ILE N N 84 122.960 122.960 120.569 2.391 17827
8459 1 17 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.229 -0.859 17827
8460 1 17 . 1 1 91 91 ILE C C 84 173.611 173.611 174.869 -1.258 17827
8461 1 17 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.198 0.502 17827
8462 1 17 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.326 -1.716 17827
8463 1 17 . 1 1 91 91 ILE H H 84 7.850 7.850 7.931 -0.081 17827
8464 1 17 . 1 1 92 92 GLN N N 85 125.429 125.429 124.081 1.348 17827
8465 1 17 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.715 0.165 17827
8466 1 17 . 1 1 92 92 GLN C C 85 174.756 174.756 175.868 -1.112 17827
8467 1 17 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.637 -0.917 17827
8468 1 17 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.974 0.176 17827
8469 1 17 . 1 1 92 92 GLN H H 85 7.700 7.700 8.121 -0.421 17827
8470 1 17 . 1 1 93 93 ALA N N 86 118.217 118.217 120.973 -2.756 17827
8471 1 17 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.347 -0.547 17827
8472 1 17 . 1 1 93 93 ALA C C 86 177.201 177.201 177.433 -0.232 17827
8473 1 17 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.416 0.664 17827
8474 1 17 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.739 -0.329 17827
8475 1 17 . 1 1 93 93 ALA H H 86 6.886 6.886 8.070 -1.184 17827
8476 1 17 . 1 1 94 94 ASP N N 87 113.647 113.647 117.344 -3.697 17827
8477 1 17 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.526 -0.106 17827
8478 1 17 . 1 1 94 94 ASP C C 87 176.218 176.218 175.228 0.990 17827
8479 1 17 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.884 0.176 17827
8480 1 17 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.954 -1.354 17827
8481 1 17 . 1 1 94 94 ASP H H 87 8.223 8.223 7.994 0.229 17827
8482 1 17 . 1 1 95 95 ALA N N 88 124.145 124.145 122.648 1.497 17827
8483 1 17 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.510 -0.204 17827
8484 1 17 . 1 1 95 95 ALA C C 88 176.630 176.630 176.005 0.625 17827
8485 1 17 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.388 1.933 17827
8486 1 17 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.457 0.563 17827
8487 1 17 . 1 1 95 95 ALA H H 88 7.941 7.941 7.034 0.907 17827
8488 1 17 . 1 1 96 96 LYS N N 89 120.897 120.897 126.167 -5.270 17827
8489 1 17 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.677 0.149 17827
8490 1 17 . 1 1 96 96 LYS C C 89 176.161 176.161 175.864 0.297 17827
8491 1 17 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.842 -0.106 17827
8492 1 17 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.016 0.374 17827
8493 1 17 . 1 1 96 96 LYS H H 89 8.500 8.500 8.400 0.100 17827
8494 1 17 . 1 1 97 97 LEU N N 90 122.960 122.960 124.475 -1.515 17827
8495 1 17 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.053 1.022 17827
8496 1 17 . 1 1 97 97 LEU C C 90 176.394 176.394 176.295 0.099 17827
8497 1 17 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.827 -1.767 17827
8498 1 17 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.840 2.010 17827
8499 1 17 . 1 1 97 97 LEU H H 90 8.566 8.566 8.460 0.106 17827
8500 1 17 . 1 1 98 98 GLN N N 91 119.538 119.538 114.478 5.060 17827
8501 1 17 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.864 0.846 17827
8502 1 17 . 1 1 98 98 GLN C C 91 174.144 174.144 174.571 -0.427 17827
8503 1 17 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.544 -0.184 17827
8504 1 17 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.672 -0.382 17827
8505 1 17 . 1 1 98 98 GLN H H 91 9.060 9.060 7.893 1.167 17827
8506 1 17 . 1 1 99 99 PHE N N 92 125.674 125.674 120.391 5.283 17827
8507 1 17 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.336 0.364 17827
8508 1 17 . 1 1 99 99 PHE C C 92 174.537 174.537 174.060 0.477 17827
8509 1 17 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.628 -2.438 17827
8510 1 17 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.728 -2.648 17827
8511 1 17 . 1 1 99 99 PHE H H 92 9.290 9.290 9.715 -0.425 17827
8512 1 17 . 1 1 100 100 THR N N 93 124.543 124.543 118.148 6.395 17827
8513 1 17 . 1 1 100 100 THR HA H 93 5.100 5.100 5.104 -0.004 17827
8514 1 17 . 1 1 100 100 THR C C 93 180.164 180.164 171.982 8.182 17827
8515 1 17 . 1 1 100 100 THR CA C 93 58.830 58.830 58.842 -0.012 17827
8516 1 17 . 1 1 100 100 THR CB C 93 73.610 73.610 71.112 2.498 17827
8517 1 17 . 1 1 100 100 THR H H 93 8.945 8.945 8.763 0.182 17827
8518 1 18 . 1 1 9 9 ALA N N 2 124.336 124.336 122.507 1.829 17827
8519 1 18 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.543 -0.333 17827
8520 1 18 . 1 1 9 9 ALA C C 2 177.598 177.598 176.901 0.697 17827
8521 1 18 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.808 0.632 17827
8522 1 18 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.801 0.229 17827
8523 1 18 . 1 1 9 9 ALA H H 2 8.018 8.018 8.225 -0.207 17827
8524 1 18 . 1 1 10 10 LEU N N 3 121.125 121.125 121.523 -0.398 17827
8525 1 18 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.136 0.074 17827
8526 1 18 . 1 1 10 10 LEU C C 3 177.094 177.094 177.249 -0.155 17827
8527 1 18 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.039 0.281 17827
8528 1 18 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.985 0.185 17827
8529 1 18 . 1 1 10 10 LEU H H 3 8.057 8.057 8.077 -0.020 17827
8530 1 18 . 1 1 11 11 ASP N N 4 119.766 119.766 117.153 2.613 17827
8531 1 18 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.377 0.098 17827
8532 1 18 . 1 1 11 11 ASP C C 4 176.509 176.509 177.850 -1.341 17827
8533 1 18 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.094 -0.544 17827
8534 1 18 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.409 0.541 17827
8535 1 18 . 1 1 11 11 ASP H H 4 8.145 8.145 8.254 -0.109 17827
8536 1 18 . 1 1 12 12 GLY N N 5 108.440 108.440 106.779 1.661 17827
8537 1 18 . 1 1 12 12 GLY C C 5 173.692 173.692 175.980 -2.288 17827
8538 1 18 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.850 -1.540 17827
8539 1 18 . 1 1 12 12 GLY H H 5 8.110 8.110 8.905 -0.795 17827
8540 1 18 . 1 1 13 13 ILE N N 6 119.766 119.766 120.519 -0.753 17827
8541 1 18 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.617 0.483 17827
8542 1 18 . 1 1 13 13 ILE C C 6 175.525 175.525 177.706 -2.181 17827
8543 1 18 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.014 -2.304 17827
8544 1 18 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.111 1.319 17827
8545 1 18 . 1 1 13 13 ILE H H 6 7.790 7.790 7.639 0.151 17827
8546 1 18 . 1 1 14 14 ARG N N 7 125.657 125.657 120.006 5.651 17827
8547 1 18 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.152 0.058 17827
8548 1 18 . 1 1 14 14 ARG C C 7 175.810 175.810 176.320 -0.510 17827
8549 1 18 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.142 -2.502 17827
8550 1 18 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.771 0.219 17827
8551 1 18 . 1 1 14 14 ARG H H 7 8.410 8.410 7.867 0.543 17827
8552 1 18 . 1 1 15 15 MET N N 8 123.598 123.598 114.984 8.614 17827
8553 1 18 . 1 1 15 15 MET HA H 8 4.210 4.210 5.126 -0.916 17827
8554 1 18 . 1 1 15 15 MET C C 8 174.950 174.950 174.328 0.622 17827
8555 1 18 . 1 1 15 15 MET CA C 8 55.330 55.330 53.100 2.230 17827
8556 1 18 . 1 1 15 15 MET CB C 8 31.730 31.730 33.556 -1.826 17827
8557 1 18 . 1 1 15 15 MET H H 8 8.495 8.495 7.931 0.564 17827
8558 1 18 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.382 -0.092 17827
8559 1 18 . 1 1 16 16 PRO C C 9 176.228 176.228 176.463 -0.235 17827
8560 1 18 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.730 -1.360 17827
8561 1 18 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.882 0.938 17827
8562 1 18 . 1 1 17 17 ASP N N 10 117.952 117.952 116.346 1.606 17827
8563 1 18 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.553 -0.133 17827
8564 1 18 . 1 1 17 17 ASP C C 10 176.714 176.714 176.455 0.259 17827
8565 1 18 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.021 0.109 17827
8566 1 18 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.948 -0.518 17827
8567 1 18 . 1 1 17 17 ASP H H 10 8.076 8.076 7.840 0.236 17827
8568 1 18 . 1 1 18 18 GLY N N 11 108.663 108.663 106.117 2.546 17827
8569 1 18 . 1 1 18 18 GLY C C 11 173.819 173.819 174.840 -1.021 17827
8570 1 18 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.392 -0.092 17827
8571 1 18 . 1 1 18 18 GLY H H 11 8.255 8.255 7.513 0.742 17827
8572 1 18 . 1 1 19 19 CYS N N 12 118.179 118.179 119.116 -0.937 17827
8573 1 18 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.236 0.314 17827
8574 1 18 . 1 1 19 19 CYS C C 12 174.073 174.073 174.122 -0.049 17827
8575 1 18 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.922 -3.502 17827
8576 1 18 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.681 0.719 17827
8577 1 18 . 1 1 19 19 CYS H H 12 7.850 7.850 8.381 -0.531 17827
8578 1 18 . 1 1 20 20 TYR N N 13 120.897 120.897 117.613 3.284 17827
8579 1 18 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.531 0.019 17827
8580 1 18 . 1 1 20 20 TYR C C 13 176.748 176.748 174.188 2.560 17827
8581 1 18 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.313 1.157 17827
8582 1 18 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.654 -0.444 17827
8583 1 18 . 1 1 20 20 TYR H H 13 8.550 8.550 7.661 0.889 17827
8584 1 18 . 1 1 21 21 ALA N N 14 124.750 124.750 122.669 2.081 17827
8585 1 18 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.431 -0.241 17827
8586 1 18 . 1 1 21 21 ALA C C 14 177.181 177.181 178.091 -0.910 17827
8587 1 18 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.456 1.075 17827
8588 1 18 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.811 -1.181 17827
8589 1 18 . 1 1 21 21 ALA H H 14 8.615 8.615 8.284 0.331 17827
8590 1 18 . 1 1 22 22 ASP N N 15 117.500 117.500 120.339 -2.839 17827
8591 1 18 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.548 -0.068 17827
8592 1 18 . 1 1 22 22 ASP C C 15 176.708 176.708 177.708 -1.000 17827
8593 1 18 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.328 -0.828 17827
8594 1 18 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.834 -0.104 17827
8595 1 18 . 1 1 22 22 ASP H H 15 7.960 7.960 8.468 -0.508 17827
8596 1 18 . 1 1 23 23 GLY N N 16 108.891 108.891 107.567 1.324 17827
8597 1 18 . 1 1 23 23 GLY C C 16 174.373 174.373 173.564 0.809 17827
8598 1 18 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.302 -0.932 17827
8599 1 18 . 1 1 23 23 GLY H H 16 8.344 8.344 8.285 0.059 17827
8600 1 18 . 1 1 24 24 THR N N 17 110.929 110.929 107.831 3.098 17827
8601 1 18 . 1 1 24 24 THR HA H 17 4.640 4.640 4.454 0.186 17827
8602 1 18 . 1 1 24 24 THR C C 17 173.620 173.620 172.460 1.160 17827
8603 1 18 . 1 1 24 24 THR CA C 17 60.540 60.540 60.025 0.515 17827
8604 1 18 . 1 1 24 24 THR CB C 17 72.100 72.100 71.056 1.044 17827
8605 1 18 . 1 1 24 24 THR H H 17 7.850 7.850 7.168 0.682 17827
8606 1 18 . 1 1 25 25 TRP N N 18 117.728 117.728 117.557 0.171 17827
8607 1 18 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.958 -0.013 17827
8608 1 18 . 1 1 25 25 TRP C C 18 174.164 174.164 173.954 0.210 17827
8609 1 18 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.186 -1.566 17827
8610 1 18 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.127 0.523 17827
8611 1 18 . 1 1 25 25 TRP H H 18 8.640 8.640 7.529 1.111 17827
8612 1 18 . 1 1 26 26 GLU N N 19 117.728 117.728 118.237 -0.509 17827
8613 1 18 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.927 -0.076 17827
8614 1 18 . 1 1 26 26 GLU C C 19 174.786 174.786 174.831 -0.045 17827
8615 1 18 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.826 0.884 17827
8616 1 18 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.471 -0.971 17827
8617 1 18 . 1 1 26 26 GLU H H 19 8.744 8.744 8.492 0.252 17827
8618 1 18 . 1 1 27 27 LEU N N 20 126.668 126.668 119.523 7.145 17827
8619 1 18 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.821 0.059 17827
8620 1 18 . 1 1 27 27 LEU C C 20 175.123 175.123 175.458 -0.335 17827
8621 1 18 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.597 -0.345 17827
8622 1 18 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.721 -1.441 17827
8623 1 18 . 1 1 27 27 LEU H H 20 8.980 8.980 8.837 0.143 17827
8624 1 18 . 1 1 28 28 SER N N 21 121.804 121.804 117.337 4.467 17827
8625 1 18 . 1 1 28 28 SER HA H 21 4.894 4.894 5.054 -0.160 17827
8626 1 18 . 1 1 28 28 SER C C 21 173.483 173.483 173.009 0.474 17827
8627 1 18 . 1 1 28 28 SER CA C 21 57.880 57.880 57.355 0.525 17827
8628 1 18 . 1 1 28 28 SER CB C 21 63.920 63.920 64.791 -0.871 17827
8629 1 18 . 1 1 28 28 SER H H 21 8.785 8.785 8.633 0.152 17827
8630 1 18 . 1 1 29 29 VAL N N 22 125.881 125.881 122.931 2.950 17827
8631 1 18 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.523 -0.153 17827
8632 1 18 . 1 1 29 29 VAL C C 22 173.953 173.953 175.097 -1.144 17827
8633 1 18 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.550 -0.110 17827
8634 1 18 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.116 -1.766 17827
8635 1 18 . 1 1 29 29 VAL H H 22 8.865 8.865 8.304 0.561 17827
8636 1 18 . 1 1 30 30 HIS N N 23 126.560 126.560 123.285 3.275 17827
8637 1 18 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.794 0.426 17827
8638 1 18 . 1 1 30 30 HIS C C 23 174.596 174.596 174.235 0.361 17827
8639 1 18 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.370 -0.120 17827
8640 1 18 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.118 -2.568 17827
8641 1 18 . 1 1 30 30 HIS H H 23 8.810 8.810 8.584 0.226 17827
8642 1 18 . 1 1 31 31 VAL N N 24 130.587 130.587 126.959 3.628 17827
8643 1 18 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.543 0.687 17827
8644 1 18 . 1 1 31 31 VAL C C 24 177.426 177.426 176.664 0.762 17827
8645 1 18 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.800 -7.270 17827
8646 1 18 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.253 -0.213 17827
8647 1 18 . 1 1 31 31 VAL H H 24 9.043 9.043 8.534 0.509 17827
8648 1 18 . 1 1 32 32 THR N N 25 122.484 122.484 122.450 0.034 17827
8649 1 18 . 1 1 32 32 THR HA H 25 3.970 3.970 4.290 -0.320 17827
8650 1 18 . 1 1 32 32 THR C C 25 177.437 177.437 176.045 1.392 17827
8651 1 18 . 1 1 32 32 THR CA C 25 66.470 66.470 64.747 1.723 17827
8652 1 18 . 1 1 32 32 THR CB C 25 68.220 68.220 68.988 -0.768 17827
8653 1 18 . 1 1 32 32 THR H H 25 8.245 8.245 8.599 -0.354 17827
8654 1 18 . 1 1 34 34 VAL N N 27 114.090 114.090 115.653 -1.563 17827
8655 1 18 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.129 0.371 17827
8656 1 18 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.519 -8.299 17827
8657 1 18 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.231 -6.171 17827
8658 1 18 . 1 1 34 34 VAL H H 27 6.977 6.977 7.437 -0.460 17827
8659 1 18 . 1 1 35 35 ASN N N 28 116.829 116.829 116.460 0.369 17827
8660 1 18 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.465 -0.166 17827
8661 1 18 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.105 -0.455 17827
8662 1 18 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.056 -0.946 17827
8663 1 18 . 1 1 35 35 ASN H H 28 7.897 7.897 7.998 -0.101 17827
8664 1 18 . 1 1 36 36 ARG N N 29 114.310 114.310 117.060 -2.750 17827
8665 1 18 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.661 0.039 17827
8666 1 18 . 1 1 36 36 ARG C C 29 173.347 173.347 174.031 -0.684 17827
8667 1 18 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.504 0.397 17827
8668 1 18 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.516 2.184 17827
8669 1 18 . 1 1 36 36 ARG H H 29 6.787 6.787 7.607 -0.820 17827
8670 1 18 . 1 1 37 37 ASP N N 30 124.071 124.071 118.442 5.629 17827
8671 1 18 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.592 0.883 17827
8672 1 18 . 1 1 37 37 ASP C C 30 175.354 175.354 174.540 0.814 17827
8673 1 18 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.395 0.265 17827
8674 1 18 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.880 -0.621 17827
8675 1 18 . 1 1 37 37 ASP H H 30 8.760 8.760 8.405 0.355 17827
8676 1 18 . 1 1 38 38 VAL N N 31 123.300 123.300 118.598 4.702 17827
8677 1 18 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.518 -0.248 17827
8678 1 18 . 1 1 38 38 VAL C C 31 174.203 174.203 174.414 -0.211 17827
8679 1 18 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.233 0.467 17827
8680 1 18 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.390 -1.770 17827
8681 1 18 . 1 1 38 38 VAL H H 31 9.187 9.187 7.999 1.188 17827
8682 1 18 . 1 1 39 39 THR N N 32 119.766 119.766 112.882 6.884 17827
8683 1 18 . 1 1 39 39 THR HA H 32 5.095 5.095 4.931 0.164 17827
8684 1 18 . 1 1 39 39 THR C C 32 173.547 173.547 173.226 0.321 17827
8685 1 18 . 1 1 39 39 THR CA C 32 60.550 60.550 59.766 0.784 17827
8686 1 18 . 1 1 39 39 THR CB C 32 70.170 70.170 71.398 -1.228 17827
8687 1 18 . 1 1 39 39 THR H H 32 8.360 8.360 8.127 0.233 17827
8688 1 18 . 1 1 40 40 LEU N N 33 124.522 124.522 122.038 2.484 17827
8689 1 18 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.652 -0.062 17827
8690 1 18 . 1 1 40 40 LEU C C 33 174.691 174.691 176.006 -1.315 17827
8691 1 18 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.534 -0.954 17827
8692 1 18 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.509 0.901 17827
8693 1 18 . 1 1 40 40 LEU H H 33 8.750 8.750 8.248 0.502 17827
8694 1 18 . 1 1 41 41 ARG N N 34 122.712 122.712 124.809 -2.097 17827
8695 1 18 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.758 -0.078 17827
8696 1 18 . 1 1 41 41 ARG C C 34 175.700 175.700 174.625 1.075 17827
8697 1 18 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.065 0.355 17827
8698 1 18 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.510 -0.010 17827
8699 1 18 . 1 1 41 41 ARG H H 34 8.345 8.345 8.839 -0.494 17827
8700 1 18 . 1 1 42 42 VAL N N 35 117.728 117.728 116.798 0.930 17827
8701 1 18 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.642 -0.177 17827
8702 1 18 . 1 1 42 42 VAL C C 35 173.184 173.184 173.701 -0.517 17827
8703 1 18 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.996 -0.326 17827
8704 1 18 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.993 1.057 17827
8705 1 18 . 1 1 42 42 VAL H H 35 8.640 8.640 7.811 0.829 17827
8706 1 18 . 1 1 43 43 THR N N 36 104.359 104.359 108.518 -4.159 17827
8707 1 18 . 1 1 43 43 THR HA H 36 4.660 4.660 2.504 2.156 17827
8708 1 18 . 1 1 43 43 THR C C 36 174.862 174.862 175.134 -0.272 17827
8709 1 18 . 1 1 43 43 THR CA C 36 59.010 59.010 59.270 -0.260 17827
8710 1 18 . 1 1 43 43 THR CB C 36 71.570 71.570 71.488 0.082 17827
8711 1 18 . 1 1 43 43 THR H H 36 6.220 6.220 7.965 -1.745 17827
8712 1 18 . 1 1 44 44 GLY N N 37 105.946 105.946 107.499 -1.553 17827
8713 1 18 . 1 1 44 44 GLY C C 37 173.394 173.394 174.759 -1.365 17827
8714 1 18 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.931 -0.101 17827
8715 1 18 . 1 1 44 44 GLY H H 37 9.160 9.160 8.671 0.489 17827
8716 1 18 . 1 1 45 45 GLU N N 38 113.875 113.875 117.244 -3.369 17827
8717 1 18 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.399 -0.109 17827
8718 1 18 . 1 1 45 45 GLU C C 38 176.167 176.167 176.639 -0.472 17827
8719 1 18 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.995 -0.495 17827
8720 1 18 . 1 1 45 45 GLU CB C 38 30.950 30.950 30.024 0.926 17827
8721 1 18 . 1 1 45 45 GLU H H 38 7.500 7.500 7.260 0.240 17827
8722 1 18 . 1 1 46 46 VAL N N 39 121.577 121.577 122.640 -1.063 17827
8723 1 18 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.056 -0.236 17827
8724 1 18 . 1 1 46 46 VAL C C 39 174.651 174.651 175.307 -0.656 17827
8725 1 18 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.504 1.416 17827
8726 1 18 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.916 -1.326 17827
8727 1 18 . 1 1 46 46 VAL H H 39 7.260 7.260 7.733 -0.473 17827
8728 1 18 . 1 1 47 47 HIS N N 40 123.391 123.391 125.933 -2.542 17827
8729 1 18 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.550 0.662 17827
8730 1 18 . 1 1 47 47 HIS C C 40 177.440 177.440 176.718 0.722 17827
8731 1 18 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.022 -1.362 17827
8732 1 18 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.007 -0.097 17827
8733 1 18 . 1 1 47 47 HIS H H 40 8.285 8.285 8.483 -0.198 17827
8734 1 18 . 1 1 48 48 ILE N N 41 124.071 124.071 124.529 -0.458 17827
8735 1 18 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.826 -0.296 17827
8736 1 18 . 1 1 48 48 ILE C C 41 178.941 178.941 177.699 1.242 17827
8737 1 18 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.446 -3.116 17827
8738 1 18 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.853 -3.623 17827
8739 1 18 . 1 1 48 48 ILE H H 41 8.863 8.863 7.777 1.086 17827
8740 1 18 . 1 1 49 49 GLY N N 42 106.853 106.853 104.369 2.484 17827
8741 1 18 . 1 1 49 49 GLY C C 42 175.669 175.669 175.400 0.269 17827
8742 1 18 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.122 -0.802 17827
8743 1 18 . 1 1 49 49 GLY H H 42 9.720 9.720 8.669 1.051 17827
8744 1 18 . 1 1 50 50 GLY N N 43 109.571 109.571 109.045 0.526 17827
8745 1 18 . 1 1 50 50 GLY C C 43 175.847 175.847 175.531 0.316 17827
8746 1 18 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.691 1.308 17827
8747 1 18 . 1 1 50 50 GLY H H 43 6.950 6.950 8.235 -1.285 17827
8748 1 18 . 1 1 51 51 VAL N N 44 123.163 123.163 124.740 -1.577 17827
8749 1 18 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.757 -0.642 17827
8750 1 18 . 1 1 51 51 VAL C C 44 176.804 176.804 177.982 -1.178 17827
8751 1 18 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.720 -0.060 17827
8752 1 18 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.928 -1.198 17827
8753 1 18 . 1 1 51 51 VAL H H 44 7.860 7.860 8.693 -0.833 17827
8754 1 18 . 1 1 52 52 MET N N 45 115.913 115.913 117.833 -1.920 17827
8755 1 18 . 1 1 52 52 MET HA H 45 3.410 3.410 4.404 -0.994 17827
8756 1 18 . 1 1 52 52 MET C C 45 176.881 176.881 178.195 -1.314 17827
8757 1 18 . 1 1 52 52 MET CA C 45 59.830 59.830 59.733 0.097 17827
8758 1 18 . 1 1 52 52 MET CB C 45 32.310 32.310 31.936 0.374 17827
8759 1 18 . 1 1 52 52 MET H H 45 7.940 7.940 7.834 0.106 17827
8760 1 18 . 1 1 53 53 LEU N N 46 118.291 118.291 121.213 -2.922 17827
8761 1 18 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.044 -0.104 17827
8762 1 18 . 1 1 53 53 LEU C C 46 179.178 179.178 179.155 0.023 17827
8763 1 18 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.845 0.655 17827
8764 1 18 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.109 0.821 17827
8765 1 18 . 1 1 53 53 LEU H H 46 7.550 7.550 7.658 -0.108 17827
8766 1 18 . 1 1 54 54 LYS N N 47 118.142 118.142 119.221 -1.079 17827
8767 1 18 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.209 -0.339 17827
8768 1 18 . 1 1 54 54 LYS C C 47 178.616 178.616 179.278 -0.662 17827
8769 1 18 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.139 -1.159 17827
8770 1 18 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.122 0.198 17827
8771 1 18 . 1 1 54 54 LYS H H 47 7.665 7.665 8.622 -0.957 17827
8772 1 18 . 1 1 55 55 LEU N N 48 119.385 119.385 120.239 -0.854 17827
8773 1 18 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.328 -0.758 17827
8774 1 18 . 1 1 55 55 LEU C C 48 177.405 177.405 177.879 -0.474 17827
8775 1 18 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.782 0.008 17827
8776 1 18 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.309 -0.720 17827
8777 1 18 . 1 1 55 55 LEU H H 48 7.975 7.975 7.676 0.299 17827
8778 1 18 . 1 1 56 56 VAL N N 49 116.141 116.141 118.801 -2.660 17827
8779 1 18 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.725 -0.735 17827
8780 1 18 . 1 1 56 56 VAL C C 49 178.564 178.564 178.229 0.335 17827
8781 1 18 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.487 -0.177 17827
8782 1 18 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.452 -0.152 17827
8783 1 18 . 1 1 56 56 VAL H H 49 7.615 7.615 8.993 -1.378 17827
8784 1 18 . 1 1 57 57 GLU N N 50 118.631 118.631 117.737 0.894 17827
8785 1 18 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.197 -0.232 17827
8786 1 18 . 1 1 57 57 GLU C C 50 178.030 178.030 178.102 -0.072 17827
8787 1 18 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.588 -0.088 17827
8788 1 18 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.698 -0.088 17827
8789 1 18 . 1 1 57 57 GLU H H 50 7.575 7.575 8.770 -1.195 17827
8790 1 18 . 1 1 58 58 LYS N N 51 117.053 117.053 118.490 -1.437 17827
8791 1 18 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.055 0.075 17827
8792 1 18 . 1 1 58 58 LYS C C 51 176.956 176.956 178.694 -1.738 17827
8793 1 18 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.712 -2.052 17827
8794 1 18 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.798 -0.138 17827
8795 1 18 . 1 1 58 58 LYS H H 51 7.490 7.490 7.524 -0.034 17827
8796 1 18 . 1 1 59 59 LEU N N 52 119.460 119.460 117.874 1.586 17827
8797 1 18 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.134 -0.012 17827
8798 1 18 . 1 1 59 59 LEU C C 52 176.645 176.645 177.412 -0.767 17827
8799 1 18 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.916 -0.256 17827
8800 1 18 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.714 0.986 17827
8801 1 18 . 1 1 59 59 LEU H H 52 7.470 7.470 7.888 -0.418 17827
8802 1 18 . 1 1 62 62 LYS C C 55 175.670 175.670 176.268 -0.598 17827
8803 1 18 . 1 1 63 63 LYS N N 56 122.430 122.430 121.393 1.037 17827
8804 1 18 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.445 -0.415 17827
8805 1 18 . 1 1 63 63 LYS C C 56 172.850 172.850 175.847 -2.997 17827
8806 1 18 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.038 -1.508 17827
8807 1 18 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.407 1.033 17827
8808 1 18 . 1 1 63 63 LYS H H 56 7.245 7.245 8.044 -0.799 17827
8809 1 18 . 1 1 64 64 ASP N N 57 118.867 118.867 120.357 -1.490 17827
8810 1 18 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.072 0.458 17827
8811 1 18 . 1 1 64 64 ASP C C 57 176.710 176.710 175.386 1.324 17827
8812 1 18 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.656 -1.156 17827
8813 1 18 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.833 -0.513 17827
8814 1 18 . 1 1 64 64 ASP H H 57 7.867 7.867 8.320 -0.453 17827
8815 1 18 . 1 1 65 65 TRP N N 58 128.827 128.827 121.614 7.213 17827
8816 1 18 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.649 -0.109 17827
8817 1 18 . 1 1 65 65 TRP C C 58 178.390 178.390 177.260 1.130 17827
8818 1 18 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.259 -6.399 17827
8819 1 18 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.678 0.742 17827
8820 1 18 . 1 1 65 65 TRP H H 58 8.790 8.790 7.763 1.027 17827
8821 1 18 . 1 1 66 66 SER N N 59 117.724 117.724 114.897 2.827 17827
8822 1 18 . 1 1 66 66 SER HA H 59 4.143 4.143 4.447 -0.304 17827
8823 1 18 . 1 1 66 66 SER C C 59 174.471 174.471 175.097 -0.626 17827
8824 1 18 . 1 1 66 66 SER CA C 59 62.350 62.350 60.168 2.182 17827
8825 1 18 . 1 1 66 66 SER CB C 59 63.110 63.110 62.904 0.207 17827
8826 1 18 . 1 1 66 66 SER H H 59 8.637 8.637 8.087 0.550 17827
8827 1 18 . 1 1 67 67 ASP N N 60 121.042 121.042 120.661 0.381 17827
8828 1 18 . 1 1 67 67 ASP C C 60 176.206 176.206 176.774 -0.568 17827
8829 1 18 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.874 1.686 17827
8830 1 18 . 1 1 67 67 ASP H H 60 8.895 8.895 8.551 0.344 17827
8831 1 18 . 1 1 68 68 HIS N N 61 121.519 121.519 116.580 4.939 17827
8832 1 18 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.660 -0.170 17827
8833 1 18 . 1 1 68 68 HIS C C 61 174.546 174.546 174.422 0.124 17827
8834 1 18 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.871 2.069 17827
8835 1 18 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.353 8.057 17827
8836 1 18 . 1 1 68 68 HIS H H 61 7.958 7.958 7.360 0.598 17827
8837 1 18 . 1 1 69 69 ALA N N 62 122.256 122.256 117.911 4.345 17827
8838 1 18 . 1 1 69 69 ALA C C 62 175.294 175.294 174.622 0.672 17827
8839 1 18 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.693 -0.223 17827
8840 1 18 . 1 1 69 69 ALA H H 62 8.575 8.575 8.764 -0.189 17827
8841 1 18 . 1 1 70 70 LEU N N 63 118.904 118.904 120.304 -1.400 17827
8842 1 18 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.853 0.801 17827
8843 1 18 . 1 1 70 70 LEU C C 63 174.445 174.445 176.476 -2.031 17827
8844 1 18 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.172 0.757 17827
8845 1 18 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.913 2.387 17827
8846 1 18 . 1 1 70 70 LEU H H 63 9.150 9.150 8.763 0.387 17827
8847 1 18 . 1 1 71 71 TRP N N 64 125.367 125.367 128.367 -3.000 17827
8848 1 18 . 1 1 71 71 TRP C C 64 174.010 174.010 176.216 -2.206 17827
8849 1 18 . 1 1 71 71 TRP CB C 64 32.210 32.210 29.823 2.388 17827
8850 1 18 . 1 1 71 71 TRP H H 64 9.590 9.590 8.362 1.228 17827
8851 1 18 . 1 1 72 72 TRP N N 65 129.982 129.982 126.244 3.738 17827
8852 1 18 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.871 0.109 17827
8853 1 18 . 1 1 72 72 TRP C C 65 174.335 174.335 176.043 -1.708 17827
8854 1 18 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.160 -1.720 17827
8855 1 18 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.032 0.458 17827
8856 1 18 . 1 1 72 72 TRP H H 65 8.277 8.277 7.934 0.343 17827
8857 1 18 . 1 1 73 73 GLU N N 66 129.112 129.112 123.428 5.684 17827
8858 1 18 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.684 -0.384 17827
8859 1 18 . 1 1 73 73 GLU C C 66 178.595 178.595 177.619 0.976 17827
8860 1 18 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.627 1.293 17827
8861 1 18 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.393 0.667 17827
8862 1 18 . 1 1 73 73 GLU H H 66 8.969 8.969 8.011 0.958 17827
8863 1 18 . 1 1 74 74 LYS N N 67 117.492 117.492 118.118 -0.626 17827
8864 1 18 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.640 0.062 17827
8865 1 18 . 1 1 74 74 LYS C C 67 176.361 176.361 176.852 -0.491 17827
8866 1 18 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.077 0.583 17827
8867 1 18 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.343 0.677 17827
8868 1 18 . 1 1 74 74 LYS H H 67 7.860 7.860 7.540 0.320 17827
8869 1 18 . 1 1 75 75 LYS N N 68 121.233 121.233 114.079 7.154 17827
8870 1 18 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.158 -0.223 17827
8871 1 18 . 1 1 75 75 LYS C C 68 174.183 174.183 175.210 -1.027 17827
8872 1 18 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.649 -1.249 17827
8873 1 18 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.546 -1.346 17827
8874 1 18 . 1 1 75 75 LYS H H 68 7.500 7.500 6.424 1.076 17827
8875 1 18 . 1 1 76 76 ARG N N 69 121.125 121.125 117.845 3.280 17827
8876 1 18 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.217 -0.327 17827
8877 1 18 . 1 1 76 76 ARG C C 69 173.984 173.984 174.151 -0.167 17827
8878 1 18 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.258 0.058 17827
8879 1 18 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.325 0.765 17827
8880 1 18 . 1 1 76 76 ARG H H 69 7.500 7.500 7.697 -0.197 17827
8881 1 18 . 1 1 77 77 THR N N 70 110.478 110.478 112.537 -2.059 17827
8882 1 18 . 1 1 77 77 THR HA H 70 4.650 4.650 4.252 0.398 17827
8883 1 18 . 1 1 77 77 THR C C 70 171.846 171.846 171.892 -0.046 17827
8884 1 18 . 1 1 77 77 THR CA C 70 61.630 61.630 59.611 2.019 17827
8885 1 18 . 1 1 77 77 THR CB C 70 72.210 72.210 70.781 1.429 17827
8886 1 18 . 1 1 77 77 THR H H 70 6.280 6.280 7.746 -1.466 17827
8887 1 18 . 1 1 78 78 TRP N N 71 127.244 127.244 118.617 8.627 17827
8888 1 18 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.490 -0.740 17827
8889 1 18 . 1 1 78 78 TRP C C 71 177.303 177.303 175.551 1.752 17827
8890 1 18 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.373 0.867 17827
8891 1 18 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.585 -1.085 17827
8892 1 18 . 1 1 78 78 TRP H H 71 8.795 8.795 8.300 0.495 17827
8893 1 18 . 1 1 79 79 LEU N N 72 125.202 125.202 122.955 2.247 17827
8894 1 18 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.614 -0.114 17827
8895 1 18 . 1 1 79 79 LEU C C 72 175.667 175.667 176.693 -1.026 17827
8896 1 18 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.305 -1.795 17827
8897 1 18 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.338 -3.098 17827
8898 1 18 . 1 1 79 79 LEU H H 72 9.175 9.175 8.406 0.769 17827
8899 1 18 . 1 1 80 80 LEU N N 73 119.170 119.170 123.248 -4.078 17827
8900 1 18 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.527 -0.147 17827
8901 1 18 . 1 1 80 80 LEU C C 73 178.139 178.139 176.914 1.225 17827
8902 1 18 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.019 -0.319 17827
8903 1 18 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.421 -0.251 17827
8904 1 18 . 1 1 80 80 LEU H H 73 7.280 7.280 8.353 -1.073 17827
8905 1 18 . 1 1 81 81 LYS N N 74 119.766 119.766 119.450 0.316 17827
8906 1 18 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.169 0.266 17827
8907 1 18 . 1 1 81 81 LYS C C 74 176.601 176.601 176.084 0.517 17827
8908 1 18 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.505 -1.845 17827
8909 1 18 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.915 -4.375 17827
8910 1 18 . 1 1 81 81 LYS H H 74 7.865 7.865 7.640 0.225 17827
8911 1 18 . 1 1 82 82 THR N N 75 115.636 115.636 114.835 0.801 17827
8912 1 18 . 1 1 82 82 THR HA H 75 3.800 3.800 4.370 -0.570 17827
8913 1 18 . 1 1 82 82 THR C C 75 174.806 174.806 176.176 -1.370 17827
8914 1 18 . 1 1 82 82 THR CA C 75 64.650 64.650 64.114 0.536 17827
8915 1 18 . 1 1 82 82 THR CB C 75 68.260 68.260 68.975 -0.715 17827
8916 1 18 . 1 1 82 82 THR H H 75 7.910 7.910 8.403 -0.493 17827
8917 1 18 . 1 1 83 83 HIS N N 76 116.767 116.767 119.747 -2.980 17827
8918 1 18 . 1 1 83 83 HIS C C 76 176.370 176.370 176.405 -0.035 17827
8919 1 18 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.335 0.875 17827
8920 1 18 . 1 1 83 83 HIS H H 76 8.965 8.965 8.370 0.595 17827
8921 1 18 . 1 1 84 84 TRP N N 77 123.905 123.905 120.862 3.043 17827
8922 1 18 . 1 1 84 84 TRP C C 77 175.584 175.584 176.464 -0.880 17827
8923 1 18 . 1 1 84 84 TRP CB C 77 30.390 30.390 26.615 3.775 17827
8924 1 18 . 1 1 84 84 TRP H H 77 7.635 7.635 8.562 -0.927 17827
8925 1 18 . 1 1 85 85 THR N N 78 108.440 108.440 114.831 -6.391 17827
8926 1 18 . 1 1 85 85 THR HA H 78 4.900 4.900 4.228 0.672 17827
8927 1 18 . 1 1 85 85 THR C C 78 175.691 175.691 176.227 -0.536 17827
8928 1 18 . 1 1 85 85 THR CA C 78 59.500 59.500 63.063 -3.563 17827
8929 1 18 . 1 1 85 85 THR CB C 78 70.600 70.600 69.176 1.424 17827
8930 1 18 . 1 1 85 85 THR H H 78 7.030 7.030 8.721 -1.691 17827
8931 1 18 . 1 1 86 86 LEU N N 79 119.766 119.766 121.854 -2.088 17827
8932 1 18 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.053 -0.013 17827
8933 1 18 . 1 1 86 86 LEU C C 79 179.734 179.734 179.102 0.632 17827
8934 1 18 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.335 -0.585 17827
8935 1 18 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.814 -0.364 17827
8936 1 18 . 1 1 86 86 LEU H H 79 8.045 8.045 8.803 -0.758 17827
8937 1 18 . 1 1 87 87 ASP N N 80 118.407 118.407 118.502 -0.095 17827
8938 1 18 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.421 0.019 17827
8939 1 18 . 1 1 87 87 ASP C C 80 179.152 179.152 178.893 0.259 17827
8940 1 18 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.219 0.101 17827
8941 1 18 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.693 -0.373 17827
8942 1 18 . 1 1 87 87 ASP H H 80 8.935 8.935 8.700 0.235 17827
8943 1 18 . 1 1 88 88 LYS N N 81 123.300 123.300 119.915 3.385 17827
8944 1 18 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.978 -0.278 17827
8945 1 18 . 1 1 88 88 LYS C C 81 178.721 178.721 177.863 0.858 17827
8946 1 18 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.839 0.181 17827
8947 1 18 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.011 -0.371 17827
8948 1 18 . 1 1 88 88 LYS H H 81 8.055 8.055 7.485 0.570 17827
8949 1 18 . 1 1 89 89 TYR N N 82 115.690 115.690 117.431 -1.741 17827
8950 1 18 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.231 0.349 17827
8951 1 18 . 1 1 89 89 TYR C C 82 176.164 176.164 175.561 0.603 17827
8952 1 18 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.386 2.364 17827
8953 1 18 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.159 1.591 17827
8954 1 18 . 1 1 89 89 TYR H H 82 7.730 7.730 7.655 0.075 17827
8955 1 18 . 1 1 90 90 GLY N N 83 108.212 108.212 106.926 1.286 17827
8956 1 18 . 1 1 90 90 GLY C C 83 174.555 174.555 174.476 0.079 17827
8957 1 18 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.879 0.631 17827
8958 1 18 . 1 1 90 90 GLY H H 83 8.030 8.030 8.042 -0.012 17827
8959 1 18 . 1 1 91 91 ILE N N 84 122.960 122.960 120.745 2.215 17827
8960 1 18 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.173 -0.803 17827
8961 1 18 . 1 1 91 91 ILE C C 84 173.611 173.611 175.049 -1.438 17827
8962 1 18 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.576 0.124 17827
8963 1 18 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.242 -1.632 17827
8964 1 18 . 1 1 91 91 ILE H H 84 7.850 7.850 8.013 -0.163 17827
8965 1 18 . 1 1 92 92 GLN N N 85 125.429 125.429 124.856 0.573 17827
8966 1 18 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.929 -0.049 17827
8967 1 18 . 1 1 92 92 GLN C C 85 174.756 174.756 175.243 -0.487 17827
8968 1 18 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.710 -0.990 17827
8969 1 18 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.782 0.368 17827
8970 1 18 . 1 1 92 92 GLN H H 85 7.700 7.700 8.136 -0.436 17827
8971 1 18 . 1 1 93 93 ALA N N 86 118.217 118.217 120.854 -2.637 17827
8972 1 18 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.197 -0.397 17827
8973 1 18 . 1 1 93 93 ALA C C 86 177.201 177.201 177.348 -0.147 17827
8974 1 18 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.370 0.710 17827
8975 1 18 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.625 -0.215 17827
8976 1 18 . 1 1 93 93 ALA H H 86 6.886 6.886 8.018 -1.132 17827
8977 1 18 . 1 1 94 94 ASP N N 87 113.647 113.647 117.445 -3.798 17827
8978 1 18 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.508 -0.088 17827
8979 1 18 . 1 1 94 94 ASP C C 87 176.218 176.218 175.175 1.043 17827
8980 1 18 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.808 0.252 17827
8981 1 18 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.816 -1.216 17827
8982 1 18 . 1 1 94 94 ASP H H 87 8.223 8.223 7.973 0.250 17827
8983 1 18 . 1 1 95 95 ALA N N 88 124.145 124.145 122.709 1.436 17827
8984 1 18 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.410 -0.104 17827
8985 1 18 . 1 1 95 95 ALA C C 88 176.630 176.630 176.570 0.060 17827
8986 1 18 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.623 1.697 17827
8987 1 18 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.587 0.433 17827
8988 1 18 . 1 1 95 95 ALA H H 88 7.941 7.941 7.167 0.774 17827
8989 1 18 . 1 1 96 96 LYS N N 89 120.897 120.897 126.128 -5.231 17827
8990 1 18 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.690 0.136 17827
8991 1 18 . 1 1 96 96 LYS C C 89 176.161 176.161 176.151 0.010 17827
8992 1 18 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.223 -0.487 17827
8993 1 18 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.570 -0.180 17827
8994 1 18 . 1 1 96 96 LYS H H 89 8.500 8.500 8.431 0.069 17827
8995 1 18 . 1 1 97 97 LEU N N 90 122.960 122.960 125.196 -2.236 17827
8996 1 18 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.522 0.553 17827
8997 1 18 . 1 1 97 97 LEU C C 90 176.394 176.394 175.742 0.652 17827
8998 1 18 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.610 -1.550 17827
8999 1 18 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.468 1.382 17827
9000 1 18 . 1 1 97 97 LEU H H 90 8.566 8.566 8.754 -0.188 17827
9001 1 18 . 1 1 98 98 GLN N N 91 119.538 119.538 115.005 4.533 17827
9002 1 18 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.868 0.842 17827
9003 1 18 . 1 1 98 98 GLN C C 91 174.144 174.144 174.639 -0.495 17827
9004 1 18 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.500 -0.140 17827
9005 1 18 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.814 -0.524 17827
9006 1 18 . 1 1 98 98 GLN H H 91 9.060 9.060 7.827 1.233 17827
9007 1 18 . 1 1 99 99 PHE N N 92 125.674 125.674 120.096 5.578 17827
9008 1 18 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.341 0.359 17827
9009 1 18 . 1 1 99 99 PHE C C 92 174.537 174.537 173.896 0.641 17827
9010 1 18 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.612 -2.422 17827
9011 1 18 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.742 -2.662 17827
9012 1 18 . 1 1 99 99 PHE H H 92 9.290 9.290 9.709 -0.419 17827
9013 1 18 . 1 1 100 100 THR N N 93 124.543 124.543 117.863 6.680 17827
9014 1 18 . 1 1 100 100 THR HA H 93 5.100 5.100 4.849 0.251 17827
9015 1 18 . 1 1 100 100 THR C C 93 180.164 180.164 171.854 8.310 17827
9016 1 18 . 1 1 100 100 THR CA C 93 58.830 58.830 59.214 -0.384 17827
9017 1 18 . 1 1 100 100 THR CB C 93 73.610 73.610 71.200 2.410 17827
9018 1 18 . 1 1 100 100 THR H H 93 8.945 8.945 8.690 0.255 17827
9019 1 19 . 1 1 9 9 ALA N N 2 124.336 124.336 122.131 2.205 17827
9020 1 19 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.178 0.032 17827
9021 1 19 . 1 1 9 9 ALA C C 2 177.598 177.598 177.103 0.495 17827
9022 1 19 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.202 0.238 17827
9023 1 19 . 1 1 9 9 ALA CB C 2 19.030 19.030 17.526 1.504 17827
9024 1 19 . 1 1 9 9 ALA H H 2 8.018 8.018 8.343 -0.325 17827
9025 1 19 . 1 1 10 10 LEU N N 3 121.125 121.125 118.338 2.787 17827
9026 1 19 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.783 0.427 17827
9027 1 19 . 1 1 10 10 LEU C C 3 177.094 177.094 176.952 0.142 17827
9028 1 19 . 1 1 10 10 LEU CA C 3 55.320 55.320 57.126 -1.806 17827
9029 1 19 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.678 0.492 17827
9030 1 19 . 1 1 10 10 LEU H H 3 8.057 8.057 8.236 -0.179 17827
9031 1 19 . 1 1 11 11 ASP N N 4 119.766 119.766 115.544 4.222 17827
9032 1 19 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.622 -0.147 17827
9033 1 19 . 1 1 11 11 ASP C C 4 176.509 176.509 175.293 1.216 17827
9034 1 19 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.020 0.530 17827
9035 1 19 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.191 -0.241 17827
9036 1 19 . 1 1 11 11 ASP H H 4 8.145 8.145 8.022 0.123 17827
9037 1 19 . 1 1 12 12 GLY N N 5 108.440 108.440 107.896 0.544 17827
9038 1 19 . 1 1 12 12 GLY C C 5 173.692 173.692 175.162 -1.470 17827
9039 1 19 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.128 0.182 17827
9040 1 19 . 1 1 12 12 GLY H H 5 8.110 8.110 8.004 0.106 17827
9041 1 19 . 1 1 13 13 ILE N N 6 119.766 119.766 120.538 -0.772 17827
9042 1 19 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.659 0.441 17827
9043 1 19 . 1 1 13 13 ILE C C 6 175.525 175.525 177.030 -1.505 17827
9044 1 19 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.792 -3.082 17827
9045 1 19 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.093 0.337 17827
9046 1 19 . 1 1 13 13 ILE H H 6 7.790 7.790 7.997 -0.207 17827
9047 1 19 . 1 1 14 14 ARG N N 7 125.657 125.657 119.859 5.798 17827
9048 1 19 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.186 0.024 17827
9049 1 19 . 1 1 14 14 ARG C C 7 175.810 175.810 176.259 -0.449 17827
9050 1 19 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.576 -1.936 17827
9051 1 19 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.432 0.558 17827
9052 1 19 . 1 1 14 14 ARG H H 7 8.410 8.410 8.068 0.342 17827
9053 1 19 . 1 1 15 15 MET N N 8 123.598 123.598 114.369 9.229 17827
9054 1 19 . 1 1 15 15 MET HA H 8 4.210 4.210 5.032 -0.822 17827
9055 1 19 . 1 1 15 15 MET C C 8 174.950 174.950 174.182 0.768 17827
9056 1 19 . 1 1 15 15 MET CA C 8 55.330 55.330 52.821 2.509 17827
9057 1 19 . 1 1 15 15 MET CB C 8 31.730 31.730 32.562 -0.833 17827
9058 1 19 . 1 1 15 15 MET H H 8 8.495 8.495 7.820 0.675 17827
9059 1 19 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.326 -0.036 17827
9060 1 19 . 1 1 16 16 PRO C C 9 176.228 176.228 176.226 0.002 17827
9061 1 19 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.402 -2.032 17827
9062 1 19 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.958 0.862 17827
9063 1 19 . 1 1 17 17 ASP N N 10 117.952 117.952 116.180 1.772 17827
9064 1 19 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.664 -0.244 17827
9065 1 19 . 1 1 17 17 ASP C C 10 176.714 176.714 176.807 -0.093 17827
9066 1 19 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.492 0.638 17827
9067 1 19 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.078 -0.647 17827
9068 1 19 . 1 1 17 17 ASP H H 10 8.076 8.076 8.201 -0.125 17827
9069 1 19 . 1 1 18 18 GLY N N 11 108.663 108.663 106.104 2.559 17827
9070 1 19 . 1 1 18 18 GLY C C 11 173.819 173.819 174.152 -0.333 17827
9071 1 19 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.700 -0.400 17827
9072 1 19 . 1 1 18 18 GLY H H 11 8.255 8.255 7.816 0.439 17827
9073 1 19 . 1 1 19 19 CYS N N 12 118.179 118.179 120.406 -2.227 17827
9074 1 19 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.071 0.479 17827
9075 1 19 . 1 1 19 19 CYS C C 12 174.073 174.073 175.854 -1.781 17827
9076 1 19 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.797 -3.377 17827
9077 1 19 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.448 -0.048 17827
9078 1 19 . 1 1 19 19 CYS H H 12 7.850 7.850 8.279 -0.429 17827
9079 1 19 . 1 1 20 20 TYR N N 13 120.897 120.897 118.872 2.025 17827
9080 1 19 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.326 0.224 17827
9081 1 19 . 1 1 20 20 TYR C C 13 176.748 176.748 176.325 0.423 17827
9082 1 19 . 1 1 20 20 TYR CA C 13 58.470 58.470 59.410 -0.939 17827
9083 1 19 . 1 1 20 20 TYR CB C 13 39.210 39.210 36.957 2.253 17827
9084 1 19 . 1 1 20 20 TYR H H 13 8.550 8.550 8.301 0.249 17827
9085 1 19 . 1 1 21 21 ALA N N 14 124.750 124.750 119.576 5.174 17827
9086 1 19 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.372 -0.182 17827
9087 1 19 . 1 1 21 21 ALA C C 14 177.181 177.181 176.572 0.609 17827
9088 1 19 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.385 1.145 17827
9089 1 19 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.480 -0.850 17827
9090 1 19 . 1 1 21 21 ALA H H 14 8.615 8.615 7.849 0.766 17827
9091 1 19 . 1 1 22 22 ASP N N 15 117.500 117.500 115.432 2.068 17827
9092 1 19 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.680 -0.200 17827
9093 1 19 . 1 1 22 22 ASP C C 15 176.708 176.708 175.741 0.967 17827
9094 1 19 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.789 -0.289 17827
9095 1 19 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.941 -1.211 17827
9096 1 19 . 1 1 22 22 ASP H H 15 7.960 7.960 7.669 0.291 17827
9097 1 19 . 1 1 23 23 GLY N N 16 108.891 108.891 107.598 1.293 17827
9098 1 19 . 1 1 23 23 GLY C C 16 174.373 174.373 174.109 0.264 17827
9099 1 19 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.448 -1.078 17827
9100 1 19 . 1 1 23 23 GLY H H 16 8.344 8.344 8.570 -0.226 17827
9101 1 19 . 1 1 24 24 THR N N 17 110.929 110.929 110.398 0.531 17827
9102 1 19 . 1 1 24 24 THR HA H 17 4.640 4.640 4.550 0.090 17827
9103 1 19 . 1 1 24 24 THR C C 17 173.620 173.620 174.094 -0.474 17827
9104 1 19 . 1 1 24 24 THR CA C 17 60.540 60.540 60.282 0.258 17827
9105 1 19 . 1 1 24 24 THR CB C 17 72.100 72.100 70.540 1.560 17827
9106 1 19 . 1 1 24 24 THR H H 17 7.850 7.850 7.396 0.454 17827
9107 1 19 . 1 1 25 25 TRP N N 18 117.728 117.728 118.196 -0.468 17827
9108 1 19 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.963 -0.018 17827
9109 1 19 . 1 1 25 25 TRP C C 18 174.164 174.164 174.148 0.016 17827
9110 1 19 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.194 -1.574 17827
9111 1 19 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.200 0.450 17827
9112 1 19 . 1 1 25 25 TRP H H 18 8.640 8.640 7.414 1.226 17827
9113 1 19 . 1 1 26 26 GLU N N 19 117.728 117.728 119.152 -1.424 17827
9114 1 19 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.859 -0.008 17827
9115 1 19 . 1 1 26 26 GLU C C 19 174.786 174.786 174.305 0.481 17827
9116 1 19 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.671 1.039 17827
9117 1 19 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.491 -0.991 17827
9118 1 19 . 1 1 26 26 GLU H H 19 8.744 8.744 8.436 0.308 17827
9119 1 19 . 1 1 27 27 LEU N N 20 126.668 126.668 118.561 8.107 17827
9120 1 19 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.664 0.216 17827
9121 1 19 . 1 1 27 27 LEU C C 20 175.123 175.123 175.146 -0.023 17827
9122 1 19 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.984 -0.732 17827
9123 1 19 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.150 -0.870 17827
9124 1 19 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827
9125 1 19 . 1 1 28 28 SER N N 21 121.804 121.804 115.860 5.944 17827
9126 1 19 . 1 1 28 28 SER HA H 21 4.894 4.894 4.799 0.095 17827
9127 1 19 . 1 1 28 28 SER C C 21 173.483 173.483 172.909 0.574 17827
9128 1 19 . 1 1 28 28 SER CA C 21 57.880 57.880 57.316 0.564 17827
9129 1 19 . 1 1 28 28 SER CB C 21 63.920 63.920 64.709 -0.789 17827
9130 1 19 . 1 1 28 28 SER H H 21 8.785 8.785 8.455 0.330 17827
9131 1 19 . 1 1 29 29 VAL N N 22 125.881 125.881 123.059 2.822 17827
9132 1 19 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.486 -0.116 17827
9133 1 19 . 1 1 29 29 VAL C C 22 173.953 173.953 175.003 -1.050 17827
9134 1 19 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.465 -0.025 17827
9135 1 19 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.679 -2.329 17827
9136 1 19 . 1 1 29 29 VAL H H 22 8.865 8.865 8.391 0.474 17827
9137 1 19 . 1 1 30 30 HIS N N 23 126.560 126.560 123.440 3.120 17827
9138 1 19 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.806 0.414 17827
9139 1 19 . 1 1 30 30 HIS C C 23 174.596 174.596 174.413 0.183 17827
9140 1 19 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.342 -0.092 17827
9141 1 19 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.922 -2.372 17827
9142 1 19 . 1 1 30 30 HIS H H 23 8.810 8.810 8.482 0.328 17827
9143 1 19 . 1 1 31 31 VAL N N 24 130.587 130.587 128.168 2.419 17827
9144 1 19 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.446 0.784 17827
9145 1 19 . 1 1 31 31 VAL C C 24 177.426 177.426 175.453 1.973 17827
9146 1 19 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.703 -7.173 17827
9147 1 19 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.982 0.058 17827
9148 1 19 . 1 1 31 31 VAL H H 24 9.043 9.043 8.733 0.310 17827
9149 1 19 . 1 1 32 32 THR N N 25 122.484 122.484 119.684 2.800 17827
9150 1 19 . 1 1 32 32 THR HA H 25 3.970 3.970 4.358 -0.388 17827
9151 1 19 . 1 1 32 32 THR C C 25 177.437 177.437 175.257 2.180 17827
9152 1 19 . 1 1 32 32 THR CA C 25 66.470 66.470 62.504 3.966 17827
9153 1 19 . 1 1 32 32 THR CB C 25 68.220 68.220 70.397 -2.177 17827
9154 1 19 . 1 1 32 32 THR H H 25 8.245 8.245 8.822 -0.577 17827
9155 1 19 . 1 1 34 34 VAL N N 27 114.090 114.090 116.691 -2.601 17827
9156 1 19 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.076 0.424 17827
9157 1 19 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.468 -8.248 17827
9158 1 19 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.103 -7.043 17827
9159 1 19 . 1 1 34 34 VAL H H 27 6.977 6.977 7.293 -0.316 17827
9160 1 19 . 1 1 35 35 ASN N N 28 116.829 116.829 116.553 0.276 17827
9161 1 19 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.535 -0.236 17827
9162 1 19 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.476 -0.826 17827
9163 1 19 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.622 -0.512 17827
9164 1 19 . 1 1 35 35 ASN H H 28 7.897 7.897 8.326 -0.429 17827
9165 1 19 . 1 1 36 36 ARG N N 29 114.310 114.310 117.987 -3.677 17827
9166 1 19 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.627 0.073 17827
9167 1 19 . 1 1 36 36 ARG C C 29 173.347 173.347 174.331 -0.984 17827
9168 1 19 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.949 -0.049 17827
9169 1 19 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.911 2.789 17827
9170 1 19 . 1 1 36 36 ARG H H 29 6.787 6.787 7.624 -0.837 17827
9171 1 19 . 1 1 37 37 ASP N N 30 124.071 124.071 117.795 6.276 17827
9172 1 19 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.714 0.761 17827
9173 1 19 . 1 1 37 37 ASP C C 30 175.354 175.354 174.675 0.679 17827
9174 1 19 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.466 0.194 17827
9175 1 19 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.292 -0.033 17827
9176 1 19 . 1 1 37 37 ASP H H 30 8.760 8.760 8.444 0.316 17827
9177 1 19 . 1 1 38 38 VAL N N 31 123.300 123.300 118.670 4.630 17827
9178 1 19 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.455 -0.185 17827
9179 1 19 . 1 1 38 38 VAL C C 31 174.203 174.203 174.251 -0.048 17827
9180 1 19 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.987 0.713 17827
9181 1 19 . 1 1 38 38 VAL CB C 31 34.620 34.620 35.859 -1.239 17827
9182 1 19 . 1 1 38 38 VAL H H 31 9.187 9.187 8.073 1.114 17827
9183 1 19 . 1 1 39 39 THR N N 32 119.766 119.766 113.678 6.088 17827
9184 1 19 . 1 1 39 39 THR HA H 32 5.095 5.095 4.808 0.287 17827
9185 1 19 . 1 1 39 39 THR C C 32 173.547 173.547 173.349 0.198 17827
9186 1 19 . 1 1 39 39 THR CA C 32 60.550 60.550 60.014 0.536 17827
9187 1 19 . 1 1 39 39 THR CB C 32 70.170 70.170 71.098 -0.928 17827
9188 1 19 . 1 1 39 39 THR H H 32 8.360 8.360 8.241 0.119 17827
9189 1 19 . 1 1 40 40 LEU N N 33 124.522 124.522 122.194 2.328 17827
9190 1 19 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.661 -0.071 17827
9191 1 19 . 1 1 40 40 LEU C C 33 174.691 174.691 176.083 -1.392 17827
9192 1 19 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.778 -1.198 17827
9193 1 19 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.610 0.800 17827
9194 1 19 . 1 1 40 40 LEU H H 33 8.750 8.750 8.204 0.546 17827
9195 1 19 . 1 1 41 41 ARG N N 34 122.712 122.712 122.719 -0.007 17827
9196 1 19 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.710 -0.030 17827
9197 1 19 . 1 1 41 41 ARG C C 34 175.700 175.700 174.324 1.376 17827
9198 1 19 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.952 0.468 17827
9199 1 19 . 1 1 41 41 ARG CB C 34 29.500 29.500 30.071 -0.571 17827
9200 1 19 . 1 1 41 41 ARG H H 34 8.345 8.345 8.658 -0.313 17827
9201 1 19 . 1 1 42 42 VAL N N 35 117.728 117.728 120.061 -2.333 17827
9202 1 19 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.393 0.072 17827
9203 1 19 . 1 1 42 42 VAL C C 35 173.184 173.184 173.571 -0.387 17827
9204 1 19 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.300 -0.630 17827
9205 1 19 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.985 1.065 17827
9206 1 19 . 1 1 42 42 VAL H H 35 8.640 8.640 8.074 0.566 17827
9207 1 19 . 1 1 43 43 THR N N 36 104.359 104.359 109.135 -4.776 17827
9208 1 19 . 1 1 43 43 THR HA H 36 4.660 4.660 2.269 2.391 17827
9209 1 19 . 1 1 43 43 THR C C 36 174.862 174.862 175.002 -0.140 17827
9210 1 19 . 1 1 43 43 THR CA C 36 59.010 59.010 59.668 -0.658 17827
9211 1 19 . 1 1 43 43 THR CB C 36 71.570 71.570 70.868 0.702 17827
9212 1 19 . 1 1 43 43 THR H H 36 6.220 6.220 7.767 -1.547 17827
9213 1 19 . 1 1 44 44 GLY N N 37 105.946 105.946 107.771 -1.825 17827
9214 1 19 . 1 1 44 44 GLY C C 37 173.394 173.394 174.396 -1.002 17827
9215 1 19 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.584 0.246 17827
9216 1 19 . 1 1 44 44 GLY H H 37 9.160 9.160 8.782 0.378 17827
9217 1 19 . 1 1 45 45 GLU N N 38 113.875 113.875 117.832 -3.957 17827
9218 1 19 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.322 -0.032 17827
9219 1 19 . 1 1 45 45 GLU C C 38 176.167 176.167 176.254 -0.087 17827
9220 1 19 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.198 -0.698 17827
9221 1 19 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.776 1.174 17827
9222 1 19 . 1 1 45 45 GLU H H 38 7.500 7.500 7.327 0.173 17827
9223 1 19 . 1 1 46 46 VAL N N 39 121.577 121.577 121.902 -0.325 17827
9224 1 19 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.876 -0.056 17827
9225 1 19 . 1 1 46 46 VAL C C 39 174.651 174.651 174.942 -0.291 17827
9226 1 19 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.344 1.576 17827
9227 1 19 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.490 -0.900 17827
9228 1 19 . 1 1 46 46 VAL H H 39 7.260 7.260 7.445 -0.185 17827
9229 1 19 . 1 1 47 47 HIS N N 40 123.391 123.391 126.422 -3.031 17827
9230 1 19 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.548 0.664 17827
9231 1 19 . 1 1 47 47 HIS C C 40 177.440 177.440 176.347 1.093 17827
9232 1 19 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.584 -0.923 17827
9233 1 19 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.428 0.482 17827
9234 1 19 . 1 1 47 47 HIS H H 40 8.285 8.285 8.452 -0.167 17827
9235 1 19 . 1 1 48 48 ILE N N 41 124.071 124.071 123.949 0.122 17827
9236 1 19 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.785 -0.255 17827
9237 1 19 . 1 1 48 48 ILE C C 41 178.941 178.941 178.100 0.841 17827
9238 1 19 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.597 -3.267 17827
9239 1 19 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.861 -3.631 17827
9240 1 19 . 1 1 48 48 ILE H H 41 8.863 8.863 8.524 0.339 17827
9241 1 19 . 1 1 49 49 GLY N N 42 106.853 106.853 104.978 1.875 17827
9242 1 19 . 1 1 49 49 GLY C C 42 175.669 175.669 175.314 0.355 17827
9243 1 19 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.321 -1.001 17827
9244 1 19 . 1 1 49 49 GLY H H 42 9.720 9.720 8.650 1.070 17827
9245 1 19 . 1 1 50 50 GLY N N 43 109.571 109.571 108.411 1.160 17827
9246 1 19 . 1 1 50 50 GLY C C 43 175.847 175.847 175.588 0.259 17827
9247 1 19 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.497 1.503 17827
9248 1 19 . 1 1 50 50 GLY H H 43 6.950 6.950 8.230 -1.280 17827
9249 1 19 . 1 1 51 51 VAL N N 44 123.163 123.163 124.722 -1.559 17827
9250 1 19 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.679 -0.565 17827
9251 1 19 . 1 1 51 51 VAL C C 44 176.804 176.804 177.882 -1.078 17827
9252 1 19 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.876 -0.216 17827
9253 1 19 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.794 -1.064 17827
9254 1 19 . 1 1 51 51 VAL H H 44 7.860 7.860 8.604 -0.744 17827
9255 1 19 . 1 1 52 52 MET N N 45 115.913 115.913 117.640 -1.727 17827
9256 1 19 . 1 1 52 52 MET HA H 45 3.410 3.410 4.144 -0.734 17827
9257 1 19 . 1 1 52 52 MET C C 45 176.881 176.881 177.887 -1.006 17827
9258 1 19 . 1 1 52 52 MET CA C 45 59.830 59.830 59.159 0.671 17827
9259 1 19 . 1 1 52 52 MET CB C 45 32.310 32.310 31.435 0.875 17827
9260 1 19 . 1 1 52 52 MET H H 45 7.940 7.940 7.855 0.085 17827
9261 1 19 . 1 1 53 53 LEU N N 46 118.291 118.291 121.865 -3.574 17827
9262 1 19 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.978 -0.038 17827
9263 1 19 . 1 1 53 53 LEU C C 46 179.178 179.178 179.078 0.100 17827
9264 1 19 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.879 0.621 17827
9265 1 19 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.158 0.772 17827
9266 1 19 . 1 1 53 53 LEU H H 46 7.550 7.550 7.635 -0.085 17827
9267 1 19 . 1 1 54 54 LYS N N 47 118.142 118.142 119.062 -0.920 17827
9268 1 19 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.204 -0.334 17827
9269 1 19 . 1 1 54 54 LYS C C 47 178.616 178.616 179.131 -0.515 17827
9270 1 19 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.162 -1.182 17827
9271 1 19 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.019 0.301 17827
9272 1 19 . 1 1 54 54 LYS H H 47 7.665 7.665 8.623 -0.958 17827
9273 1 19 . 1 1 55 55 LEU N N 48 119.385 119.385 120.075 -0.690 17827
9274 1 19 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.302 -0.732 17827
9275 1 19 . 1 1 55 55 LEU C C 48 177.405 177.405 177.985 -0.580 17827
9276 1 19 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.836 -0.046 17827
9277 1 19 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.874 -0.284 17827
9278 1 19 . 1 1 55 55 LEU H H 48 7.975 7.975 7.451 0.524 17827
9279 1 19 . 1 1 56 56 VAL N N 49 116.141 116.141 119.944 -3.803 17827
9280 1 19 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.766 -0.776 17827
9281 1 19 . 1 1 56 56 VAL C C 49 178.564 178.564 178.024 0.540 17827
9282 1 19 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.109 -0.799 17827
9283 1 19 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.762 -0.462 17827
9284 1 19 . 1 1 56 56 VAL H H 49 7.615 7.615 9.040 -1.425 17827
9285 1 19 . 1 1 57 57 GLU N N 50 118.631 118.631 118.545 0.086 17827
9286 1 19 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.103 -0.138 17827
9287 1 19 . 1 1 57 57 GLU C C 50 178.030 178.030 178.195 -0.165 17827
9288 1 19 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.408 0.092 17827
9289 1 19 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.532 0.078 17827
9290 1 19 . 1 1 57 57 GLU H H 50 7.575 7.575 8.686 -1.111 17827
9291 1 19 . 1 1 58 58 LYS N N 51 117.053 117.053 117.035 0.018 17827
9292 1 19 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.147 -0.017 17827
9293 1 19 . 1 1 58 58 LYS C C 51 176.956 176.956 176.969 -0.013 17827
9294 1 19 . 1 1 58 58 LYS CA C 51 56.660 56.660 57.623 -0.963 17827
9295 1 19 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.181 -0.521 17827
9296 1 19 . 1 1 58 58 LYS H H 51 7.490 7.490 7.527 -0.037 17827
9297 1 19 . 1 1 59 59 LEU N N 52 119.460 119.460 117.886 1.574 17827
9298 1 19 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.057 0.065 17827
9299 1 19 . 1 1 59 59 LEU C C 52 176.645 176.645 175.696 0.949 17827
9300 1 19 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.946 0.714 17827
9301 1 19 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.598 1.102 17827
9302 1 19 . 1 1 59 59 LEU H H 52 7.470 7.470 8.464 -0.994 17827
9303 1 19 . 1 1 62 62 LYS C C 55 175.670 175.670 174.934 0.736 17827
9304 1 19 . 1 1 63 63 LYS N N 56 122.430 122.430 124.594 -2.164 17827
9305 1 19 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.687 -0.657 17827
9306 1 19 . 1 1 63 63 LYS C C 56 172.850 172.850 175.184 -2.334 17827
9307 1 19 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.432 -0.902 17827
9308 1 19 . 1 1 63 63 LYS CB C 56 34.440 34.440 36.019 -1.579 17827
9309 1 19 . 1 1 63 63 LYS H H 56 7.245 7.245 8.154 -0.909 17827
9310 1 19 . 1 1 64 64 ASP N N 57 118.867 118.867 122.246 -3.379 17827
9311 1 19 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.283 0.247 17827
9312 1 19 . 1 1 64 64 ASP C C 57 176.710 176.710 176.519 0.191 17827
9313 1 19 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.880 -1.380 17827
9314 1 19 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.783 -0.463 17827
9315 1 19 . 1 1 64 64 ASP H H 57 7.867 7.867 8.916 -1.049 17827
9316 1 19 . 1 1 65 65 TRP N N 58 128.827 128.827 121.967 6.860 17827
9317 1 19 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.692 -0.152 17827
9318 1 19 . 1 1 65 65 TRP C C 58 178.390 178.390 177.831 0.559 17827
9319 1 19 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.630 -5.770 17827
9320 1 19 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.068 1.352 17827
9321 1 19 . 1 1 65 65 TRP H H 58 8.790 8.790 7.601 1.189 17827
9322 1 19 . 1 1 66 66 SER N N 59 117.724 117.724 114.377 3.347 17827
9323 1 19 . 1 1 66 66 SER HA H 59 4.143 4.143 4.535 -0.392 17827
9324 1 19 . 1 1 66 66 SER C C 59 174.471 174.471 175.289 -0.818 17827
9325 1 19 . 1 1 66 66 SER CA C 59 62.350 62.350 59.602 2.748 17827
9326 1 19 . 1 1 66 66 SER CB C 59 63.110 63.110 63.089 0.021 17827
9327 1 19 . 1 1 66 66 SER H H 59 8.637 8.637 8.127 0.510 17827
9328 1 19 . 1 1 67 67 ASP N N 60 121.042 121.042 119.117 1.925 17827
9329 1 19 . 1 1 67 67 ASP C C 60 176.206 176.206 176.527 -0.321 17827
9330 1 19 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.699 1.861 17827
9331 1 19 . 1 1 67 67 ASP H H 60 8.895 8.895 8.257 0.638 17827
9332 1 19 . 1 1 68 68 HIS N N 61 121.519 121.519 116.894 4.625 17827
9333 1 19 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.618 -0.128 17827
9334 1 19 . 1 1 68 68 HIS C C 61 174.546 174.546 174.450 0.096 17827
9335 1 19 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.780 2.160 17827
9336 1 19 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.643 7.767 17827
9337 1 19 . 1 1 68 68 HIS H H 61 7.958 7.958 7.444 0.514 17827
9338 1 19 . 1 1 69 69 ALA N N 62 122.256 122.256 119.244 3.012 17827
9339 1 19 . 1 1 69 69 ALA C C 62 175.294 175.294 175.214 0.080 17827
9340 1 19 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.883 -0.413 17827
9341 1 19 . 1 1 69 69 ALA H H 62 8.575 8.575 9.514 -0.939 17827
9342 1 19 . 1 1 70 70 LEU N N 63 118.904 118.904 120.656 -1.752 17827
9343 1 19 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.042 0.612 17827
9344 1 19 . 1 1 70 70 LEU C C 63 174.445 174.445 176.722 -2.277 17827
9345 1 19 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.333 0.597 17827
9346 1 19 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.580 2.720 17827
9347 1 19 . 1 1 70 70 LEU H H 63 9.150 9.150 8.958 0.192 17827
9348 1 19 . 1 1 71 71 TRP N N 64 125.367 125.367 127.212 -1.845 17827
9349 1 19 . 1 1 71 71 TRP C C 64 174.010 174.010 174.966 -0.956 17827
9350 1 19 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.466 1.744 17827
9351 1 19 . 1 1 71 71 TRP H H 64 9.590 9.590 8.551 1.039 17827
9352 1 19 . 1 1 72 72 TRP N N 65 129.982 129.982 129.087 0.895 17827
9353 1 19 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.556 0.424 17827
9354 1 19 . 1 1 72 72 TRP C C 65 174.335 174.335 176.343 -2.008 17827
9355 1 19 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.157 -2.716 17827
9356 1 19 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.654 0.836 17827
9357 1 19 . 1 1 72 72 TRP H H 65 8.277 8.277 8.232 0.045 17827
9358 1 19 . 1 1 73 73 GLU N N 66 129.112 129.112 126.887 2.225 17827
9359 1 19 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.845 -0.545 17827
9360 1 19 . 1 1 73 73 GLU C C 66 178.595 178.595 176.722 1.873 17827
9361 1 19 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.830 1.090 17827
9362 1 19 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.229 -0.169 17827
9363 1 19 . 1 1 73 73 GLU H H 66 8.969 8.969 8.548 0.421 17827
9364 1 19 . 1 1 74 74 LYS N N 67 117.492 117.492 118.811 -1.319 17827
9365 1 19 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.844 -0.142 17827
9366 1 19 . 1 1 74 74 LYS C C 67 176.361 176.361 176.523 -0.162 17827
9367 1 19 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.193 0.467 17827
9368 1 19 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.917 0.103 17827
9369 1 19 . 1 1 74 74 LYS H H 67 7.860 7.860 8.147 -0.287 17827
9370 1 19 . 1 1 75 75 LYS N N 68 121.233 121.233 115.710 5.523 17827
9371 1 19 . 1 1 75 75 LYS HA H 68 3.935 3.935 3.840 0.095 17827
9372 1 19 . 1 1 75 75 LYS C C 68 174.183 174.183 175.826 -1.643 17827
9373 1 19 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.617 -1.217 17827
9374 1 19 . 1 1 75 75 LYS CB C 68 32.200 32.200 31.839 0.361 17827
9375 1 19 . 1 1 75 75 LYS H H 68 7.500 7.500 6.909 0.591 17827
9376 1 19 . 1 1 76 76 ARG N N 69 121.125 121.125 117.066 4.059 17827
9377 1 19 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.139 -0.249 17827
9378 1 19 . 1 1 76 76 ARG C C 69 173.984 173.984 174.427 -0.443 17827
9379 1 19 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.900 0.416 17827
9380 1 19 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.191 0.899 17827
9381 1 19 . 1 1 76 76 ARG H H 69 7.500 7.500 7.584 -0.084 17827
9382 1 19 . 1 1 77 77 THR N N 70 110.478 110.478 112.047 -1.569 17827
9383 1 19 . 1 1 77 77 THR HA H 70 4.650 4.650 4.289 0.361 17827
9384 1 19 . 1 1 77 77 THR C C 70 171.846 171.846 172.727 -0.881 17827
9385 1 19 . 1 1 77 77 THR CA C 70 61.630 61.630 59.763 1.867 17827
9386 1 19 . 1 1 77 77 THR CB C 70 72.210 72.210 70.777 1.433 17827
9387 1 19 . 1 1 77 77 THR H H 70 6.280 6.280 6.990 -0.710 17827
9388 1 19 . 1 1 78 78 TRP N N 71 127.244 127.244 124.286 2.958 17827
9389 1 19 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.469 -0.719 17827
9390 1 19 . 1 1 78 78 TRP C C 71 177.303 177.303 176.348 0.955 17827
9391 1 19 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.993 0.247 17827
9392 1 19 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.446 0.054 17827
9393 1 19 . 1 1 78 78 TRP H H 71 8.795 8.795 8.339 0.456 17827
9394 1 19 . 1 1 79 79 LEU N N 72 125.202 125.202 123.015 2.187 17827
9395 1 19 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.767 -0.267 17827
9396 1 19 . 1 1 79 79 LEU C C 72 175.667 175.667 176.502 -0.835 17827
9397 1 19 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.303 -1.793 17827
9398 1 19 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.877 -3.637 17827
9399 1 19 . 1 1 79 79 LEU H H 72 9.175 9.175 8.286 0.890 17827
9400 1 19 . 1 1 80 80 LEU N N 73 119.170 119.170 124.035 -4.865 17827
9401 1 19 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.593 -0.213 17827
9402 1 19 . 1 1 80 80 LEU C C 73 178.139 178.139 176.711 1.428 17827
9403 1 19 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.931 -0.231 17827
9404 1 19 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.458 -0.288 17827
9405 1 19 . 1 1 80 80 LEU H H 73 7.280 7.280 8.659 -1.379 17827
9406 1 19 . 1 1 81 81 LYS N N 74 119.766 119.766 118.717 1.049 17827
9407 1 19 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.325 0.110 17827
9408 1 19 . 1 1 81 81 LYS C C 74 176.601 176.601 176.839 -0.238 17827
9409 1 19 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.886 -2.225 17827
9410 1 19 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.799 -4.259 17827
9411 1 19 . 1 1 81 81 LYS H H 74 7.865 7.865 7.931 -0.066 17827
9412 1 19 . 1 1 82 82 THR N N 75 115.636 115.636 114.364 1.272 17827
9413 1 19 . 1 1 82 82 THR HA H 75 3.800 3.800 4.247 -0.447 17827
9414 1 19 . 1 1 82 82 THR C C 75 174.806 174.806 175.028 -0.222 17827
9415 1 19 . 1 1 82 82 THR CA C 75 64.650 64.650 63.284 1.366 17827
9416 1 19 . 1 1 82 82 THR CB C 75 68.260 68.260 69.252 -0.992 17827
9417 1 19 . 1 1 82 82 THR H H 75 7.910 7.910 8.525 -0.615 17827
9418 1 19 . 1 1 83 83 HIS N N 76 116.767 116.767 117.969 -1.202 17827
9419 1 19 . 1 1 83 83 HIS C C 76 176.370 176.370 174.508 1.862 17827
9420 1 19 . 1 1 83 83 HIS CB C 76 30.210 30.210 30.012 0.198 17827
9421 1 19 . 1 1 83 83 HIS H H 76 8.965 8.965 8.203 0.762 17827
9422 1 19 . 1 1 84 84 TRP N N 77 123.905 123.905 118.916 4.989 17827
9423 1 19 . 1 1 84 84 TRP C C 77 175.584 175.584 175.287 0.297 17827
9424 1 19 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.239 2.151 17827
9425 1 19 . 1 1 84 84 TRP H H 77 7.635 7.635 7.529 0.106 17827
9426 1 19 . 1 1 85 85 THR N N 78 108.440 108.440 114.342 -5.902 17827
9427 1 19 . 1 1 85 85 THR HA H 78 4.900 4.900 4.128 0.772 17827
9428 1 19 . 1 1 85 85 THR C C 78 175.691 175.691 176.203 -0.512 17827
9429 1 19 . 1 1 85 85 THR CA C 78 59.500 59.500 63.808 -4.308 17827
9430 1 19 . 1 1 85 85 THR CB C 78 70.600 70.600 69.828 0.772 17827
9431 1 19 . 1 1 85 85 THR H H 78 7.030 7.030 7.653 -0.623 17827
9432 1 19 . 1 1 86 86 LEU N N 79 119.766 119.766 118.077 1.689 17827
9433 1 19 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.165 -0.125 17827
9434 1 19 . 1 1 86 86 LEU C C 79 179.734 179.734 178.578 1.156 17827
9435 1 19 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.252 0.498 17827
9436 1 19 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.539 -1.089 17827
9437 1 19 . 1 1 86 86 LEU H H 79 8.045 8.045 8.615 -0.570 17827
9438 1 19 . 1 1 87 87 ASP N N 80 118.407 118.407 119.858 -1.451 17827
9439 1 19 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.631 -0.191 17827
9440 1 19 . 1 1 87 87 ASP C C 80 179.152 179.152 178.129 1.023 17827
9441 1 19 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.736 0.584 17827
9442 1 19 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.300 0.020 17827
9443 1 19 . 1 1 87 87 ASP H H 80 8.935 8.935 8.583 0.352 17827
9444 1 19 . 1 1 88 88 LYS N N 81 123.300 123.300 118.816 4.484 17827
9445 1 19 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.850 -0.150 17827
9446 1 19 . 1 1 88 88 LYS C C 81 178.721 178.721 178.316 0.405 17827
9447 1 19 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.099 -0.079 17827
9448 1 19 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.959 -0.319 17827
9449 1 19 . 1 1 88 88 LYS H H 81 8.055 8.055 7.884 0.171 17827
9450 1 19 . 1 1 89 89 TYR N N 82 115.690 115.690 118.075 -2.385 17827
9451 1 19 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.495 0.085 17827
9452 1 19 . 1 1 89 89 TYR C C 82 176.164 176.164 176.594 -0.430 17827
9453 1 19 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.134 1.616 17827
9454 1 19 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.520 1.230 17827
9455 1 19 . 1 1 89 89 TYR H H 82 7.730 7.730 7.817 -0.087 17827
9456 1 19 . 1 1 90 90 GLY N N 83 108.212 108.212 106.819 1.393 17827
9457 1 19 . 1 1 90 90 GLY C C 83 174.555 174.555 174.167 0.388 17827
9458 1 19 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.697 0.813 17827
9459 1 19 . 1 1 90 90 GLY H H 83 8.030 8.030 7.973 0.057 17827
9460 1 19 . 1 1 91 91 ILE N N 84 122.960 122.960 120.681 2.279 17827
9461 1 19 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.267 -0.897 17827
9462 1 19 . 1 1 91 91 ILE C C 84 173.611 173.611 175.049 -1.438 17827
9463 1 19 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.910 0.790 17827
9464 1 19 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.435 -1.825 17827
9465 1 19 . 1 1 91 91 ILE H H 84 7.850 7.850 8.078 -0.228 17827
9466 1 19 . 1 1 92 92 GLN N N 85 125.429 125.429 123.675 1.754 17827
9467 1 19 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.230 -0.350 17827
9468 1 19 . 1 1 92 92 GLN C C 85 174.756 174.756 174.927 -0.171 17827
9469 1 19 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.899 -1.179 17827
9470 1 19 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.933 0.216 17827
9471 1 19 . 1 1 92 92 GLN H H 85 7.700 7.700 8.198 -0.498 17827
9472 1 19 . 1 1 93 93 ALA N N 86 118.217 118.217 120.699 -2.482 17827
9473 1 19 . 1 1 93 93 ALA HA H 86 3.800 3.800 3.760 0.040 17827
9474 1 19 . 1 1 93 93 ALA C C 86 177.201 177.201 177.477 -0.276 17827
9475 1 19 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.188 0.892 17827
9476 1 19 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.238 0.171 17827
9477 1 19 . 1 1 93 93 ALA H H 86 6.886 6.886 7.869 -0.983 17827
9478 1 19 . 1 1 94 94 ASP N N 87 113.647 113.647 117.136 -3.489 17827
9479 1 19 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.519 -0.099 17827
9480 1 19 . 1 1 94 94 ASP C C 87 176.218 176.218 175.042 1.176 17827
9481 1 19 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.250 0.810 17827
9482 1 19 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.113 -1.513 17827
9483 1 19 . 1 1 94 94 ASP H H 87 8.223 8.223 8.012 0.211 17827
9484 1 19 . 1 1 95 95 ALA N N 88 124.145 124.145 122.445 1.700 17827
9485 1 19 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.467 -0.161 17827
9486 1 19 . 1 1 95 95 ALA C C 88 176.630 176.630 176.359 0.271 17827
9487 1 19 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.495 1.825 17827
9488 1 19 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.679 0.341 17827
9489 1 19 . 1 1 95 95 ALA H H 88 7.941 7.941 7.017 0.924 17827
9490 1 19 . 1 1 96 96 LYS N N 89 120.897 120.897 126.237 -5.340 17827
9491 1 19 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.641 0.185 17827
9492 1 19 . 1 1 96 96 LYS C C 89 176.161 176.161 176.198 -0.037 17827
9493 1 19 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.307 -0.571 17827
9494 1 19 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.925 0.465 17827
9495 1 19 . 1 1 96 96 LYS H H 89 8.500 8.500 8.627 -0.127 17827
9496 1 19 . 1 1 97 97 LEU N N 90 122.960 122.960 124.667 -1.707 17827
9497 1 19 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.303 0.772 17827
9498 1 19 . 1 1 97 97 LEU C C 90 176.394 176.394 176.162 0.232 17827
9499 1 19 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.905 -1.845 17827
9500 1 19 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.984 1.866 17827
9501 1 19 . 1 1 97 97 LEU H H 90 8.566 8.566 8.570 -0.004 17827
9502 1 19 . 1 1 98 98 GLN N N 91 119.538 119.538 114.260 5.278 17827
9503 1 19 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.855 0.855 17827
9504 1 19 . 1 1 98 98 GLN C C 91 174.144 174.144 174.560 -0.416 17827
9505 1 19 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.549 -0.189 17827
9506 1 19 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.911 -0.621 17827
9507 1 19 . 1 1 98 98 GLN H H 91 9.060 9.060 7.806 1.254 17827
9508 1 19 . 1 1 99 99 PHE N N 92 125.674 125.674 120.345 5.329 17827
9509 1 19 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.314 0.386 17827
9510 1 19 . 1 1 99 99 PHE C C 92 174.537 174.537 174.245 0.292 17827
9511 1 19 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.966 -1.776 17827
9512 1 19 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.708 -2.628 17827
9513 1 19 . 1 1 99 99 PHE H H 92 9.290 9.290 9.713 -0.423 17827
9514 1 19 . 1 1 100 100 THR N N 93 124.543 124.543 118.752 5.791 17827
9515 1 19 . 1 1 100 100 THR HA H 93 5.100 5.100 4.843 0.257 17827
9516 1 19 . 1 1 100 100 THR C C 93 180.164 180.164 172.222 7.942 17827
9517 1 19 . 1 1 100 100 THR CA C 93 58.830 58.830 59.172 -0.341 17827
9518 1 19 . 1 1 100 100 THR CB C 93 73.610 73.610 70.905 2.705 17827
9519 1 19 . 1 1 100 100 THR H H 93 8.945 8.945 9.801 -0.856 17827
9520 1 20 . 1 1 9 9 ALA N N 2 124.336 124.336 122.230 2.106 17827
9521 1 20 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.793 -0.583 17827
9522 1 20 . 1 1 9 9 ALA C C 2 177.598 177.598 177.242 0.356 17827
9523 1 20 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.821 0.619 17827
9524 1 20 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.528 0.502 17827
9525 1 20 . 1 1 9 9 ALA H H 2 8.018 8.018 8.549 -0.531 17827
9526 1 20 . 1 1 10 10 LEU N N 3 121.125 121.125 122.081 -0.956 17827
9527 1 20 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.104 0.106 17827
9528 1 20 . 1 1 10 10 LEU C C 3 177.094 177.094 176.934 0.160 17827
9529 1 20 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.749 -0.429 17827
9530 1 20 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.853 0.317 17827
9531 1 20 . 1 1 10 10 LEU H H 3 8.057 8.057 8.057 -0.000 17827
9532 1 20 . 1 1 11 11 ASP N N 4 119.766 119.766 117.017 2.749 17827
9533 1 20 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.434 0.041 17827
9534 1 20 . 1 1 11 11 ASP C C 4 176.509 176.509 177.543 -1.034 17827
9535 1 20 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.365 -0.815 17827
9536 1 20 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.403 0.548 17827
9537 1 20 . 1 1 11 11 ASP H H 4 8.145 8.145 8.427 -0.282 17827
9538 1 20 . 1 1 12 12 GLY N N 5 108.440 108.440 107.474 0.966 17827
9539 1 20 . 1 1 12 12 GLY C C 5 173.692 173.692 175.589 -1.897 17827
9540 1 20 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.164 0.146 17827
9541 1 20 . 1 1 12 12 GLY H H 5 8.110 8.110 8.512 -0.402 17827
9542 1 20 . 1 1 13 13 ILE N N 6 119.766 119.766 119.808 -0.042 17827
9543 1 20 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.637 0.463 17827
9544 1 20 . 1 1 13 13 ILE C C 6 175.525 175.525 177.303 -1.778 17827
9545 1 20 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.386 -2.676 17827
9546 1 20 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.346 1.084 17827
9547 1 20 . 1 1 13 13 ILE H H 6 7.790 7.790 7.970 -0.180 17827
9548 1 20 . 1 1 14 14 ARG N N 7 125.657 125.657 117.775 7.882 17827
9549 1 20 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.023 0.187 17827
9550 1 20 . 1 1 14 14 ARG C C 7 175.810 175.810 177.070 -1.260 17827
9551 1 20 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.318 -2.678 17827
9552 1 20 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.552 0.438 17827
9553 1 20 . 1 1 14 14 ARG H H 7 8.410 8.410 7.735 0.675 17827
9554 1 20 . 1 1 15 15 MET N N 8 123.598 123.598 112.722 10.876 17827
9555 1 20 . 1 1 15 15 MET HA H 8 4.210 4.210 5.085 -0.875 17827
9556 1 20 . 1 1 15 15 MET C C 8 174.950 174.950 173.473 1.477 17827
9557 1 20 . 1 1 15 15 MET CA C 8 55.330 55.330 54.135 1.195 17827
9558 1 20 . 1 1 15 15 MET CB C 8 31.730 31.730 32.403 -0.673 17827
9559 1 20 . 1 1 15 15 MET H H 8 8.495 8.495 8.029 0.466 17827
9560 1 20 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.517 -0.227 17827
9561 1 20 . 1 1 16 16 PRO C C 9 176.228 176.228 176.386 -0.158 17827
9562 1 20 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.608 -1.238 17827
9563 1 20 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.075 0.745 17827
9564 1 20 . 1 1 17 17 ASP N N 10 117.952 117.952 117.427 0.525 17827
9565 1 20 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.513 -0.093 17827
9566 1 20 . 1 1 17 17 ASP C C 10 176.714 176.714 176.938 -0.224 17827
9567 1 20 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.228 -0.098 17827
9568 1 20 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.803 -0.373 17827
9569 1 20 . 1 1 17 17 ASP H H 10 8.076 8.076 7.911 0.165 17827
9570 1 20 . 1 1 18 18 GLY N N 11 108.663 108.663 105.882 2.781 17827
9571 1 20 . 1 1 18 18 GLY C C 11 173.819 173.819 174.305 -0.486 17827
9572 1 20 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.157 0.143 17827
9573 1 20 . 1 1 18 18 GLY H H 11 8.255 8.255 7.717 0.538 17827
9574 1 20 . 1 1 19 19 CYS N N 12 118.179 118.179 119.226 -1.047 17827
9575 1 20 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.083 0.467 17827
9576 1 20 . 1 1 19 19 CYS C C 12 174.073 174.073 174.433 -0.360 17827
9577 1 20 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.114 -2.694 17827
9578 1 20 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.526 -0.126 17827
9579 1 20 . 1 1 19 19 CYS H H 12 7.850 7.850 8.089 -0.239 17827
9580 1 20 . 1 1 20 20 TYR N N 13 120.897 120.897 118.734 2.163 17827
9581 1 20 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.532 0.018 17827
9582 1 20 . 1 1 20 20 TYR C C 13 176.748 176.748 175.826 0.922 17827
9583 1 20 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.584 -0.114 17827
9584 1 20 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.154 0.056 17827
9585 1 20 . 1 1 20 20 TYR H H 13 8.550 8.550 8.026 0.524 17827
9586 1 20 . 1 1 21 21 ALA N N 14 124.750 124.750 122.860 1.890 17827
9587 1 20 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.413 -0.223 17827
9588 1 20 . 1 1 21 21 ALA C C 14 177.181 177.181 178.096 -0.915 17827
9589 1 20 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.715 0.815 17827
9590 1 20 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.134 -0.504 17827
9591 1 20 . 1 1 21 21 ALA H H 14 8.615 8.615 8.827 -0.212 17827
9592 1 20 . 1 1 22 22 ASP N N 15 117.500 117.500 119.755 -2.255 17827
9593 1 20 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.694 -0.214 17827
9594 1 20 . 1 1 22 22 ASP C C 15 176.708 176.708 176.756 -0.048 17827
9595 1 20 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.094 -0.594 17827
9596 1 20 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.098 -0.368 17827
9597 1 20 . 1 1 22 22 ASP H H 15 7.960 7.960 8.684 -0.724 17827
9598 1 20 . 1 1 23 23 GLY N N 16 108.891 108.891 107.022 1.869 17827
9599 1 20 . 1 1 23 23 GLY C C 16 174.373 174.373 174.217 0.156 17827
9600 1 20 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.072 0.298 17827
9601 1 20 . 1 1 23 23 GLY H H 16 8.344 8.344 8.086 0.258 17827
9602 1 20 . 1 1 24 24 THR N N 17 110.929 110.929 110.771 0.158 17827
9603 1 20 . 1 1 24 24 THR HA H 17 4.640 4.640 4.440 0.200 17827
9604 1 20 . 1 1 24 24 THR C C 17 173.620 173.620 173.726 -0.106 17827
9605 1 20 . 1 1 24 24 THR CA C 17 60.540 60.540 60.537 0.003 17827
9606 1 20 . 1 1 24 24 THR CB C 17 72.100 72.100 69.986 2.115 17827
9607 1 20 . 1 1 24 24 THR H H 17 7.850 7.850 7.409 0.441 17827
9608 1 20 . 1 1 25 25 TRP N N 18 117.728 117.728 117.608 0.120 17827
9609 1 20 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.917 0.028 17827
9610 1 20 . 1 1 25 25 TRP C C 18 174.164 174.164 173.986 0.178 17827
9611 1 20 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.229 -1.609 17827
9612 1 20 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.251 0.399 17827
9613 1 20 . 1 1 25 25 TRP H H 18 8.640 8.640 7.572 1.068 17827
9614 1 20 . 1 1 26 26 GLU N N 19 117.728 117.728 118.694 -0.966 17827
9615 1 20 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.819 0.032 17827
9616 1 20 . 1 1 26 26 GLU C C 19 174.786 174.786 174.569 0.217 17827
9617 1 20 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.824 0.886 17827
9618 1 20 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.407 -0.907 17827
9619 1 20 . 1 1 26 26 GLU H H 19 8.744 8.744 8.516 0.228 17827
9620 1 20 . 1 1 27 27 LEU N N 20 126.668 126.668 119.487 7.181 17827
9621 1 20 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.722 0.158 17827
9622 1 20 . 1 1 27 27 LEU C C 20 175.123 175.123 175.372 -0.249 17827
9623 1 20 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.487 -0.235 17827
9624 1 20 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.745 -1.465 17827
9625 1 20 . 1 1 27 27 LEU H H 20 8.980 8.980 8.766 0.214 17827
9626 1 20 . 1 1 28 28 SER N N 21 121.804 121.804 117.614 4.190 17827
9627 1 20 . 1 1 28 28 SER HA H 21 4.894 4.894 5.035 -0.141 17827
9628 1 20 . 1 1 28 28 SER C C 21 173.483 173.483 172.873 0.610 17827
9629 1 20 . 1 1 28 28 SER CA C 21 57.880 57.880 56.716 1.164 17827
9630 1 20 . 1 1 28 28 SER CB C 21 63.920 63.920 64.470 -0.550 17827
9631 1 20 . 1 1 28 28 SER H H 21 8.785 8.785 8.537 0.248 17827
9632 1 20 . 1 1 29 29 VAL N N 22 125.881 125.881 122.555 3.326 17827
9633 1 20 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.407 -0.037 17827
9634 1 20 . 1 1 29 29 VAL C C 22 173.953 173.953 174.971 -1.018 17827
9635 1 20 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.147 0.293 17827
9636 1 20 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.877 -1.527 17827
9637 1 20 . 1 1 29 29 VAL H H 22 8.865 8.865 8.380 0.485 17827
9638 1 20 . 1 1 30 30 HIS N N 23 126.560 126.560 123.811 2.749 17827
9639 1 20 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.819 0.401 17827
9640 1 20 . 1 1 30 30 HIS C C 23 174.596 174.596 173.912 0.684 17827
9641 1 20 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.505 -0.255 17827
9642 1 20 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.166 -2.616 17827
9643 1 20 . 1 1 30 30 HIS H H 23 8.810 8.810 8.531 0.279 17827
9644 1 20 . 1 1 31 31 VAL N N 24 130.587 130.587 128.544 2.043 17827
9645 1 20 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.653 0.577 17827
9646 1 20 . 1 1 31 31 VAL C C 24 177.426 177.426 175.273 2.153 17827
9647 1 20 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.474 -6.944 17827
9648 1 20 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.436 -0.396 17827
9649 1 20 . 1 1 31 31 VAL H H 24 9.043 9.043 8.708 0.335 17827
9650 1 20 . 1 1 32 32 THR N N 25 122.484 122.484 121.203 1.281 17827
9651 1 20 . 1 1 32 32 THR HA H 25 3.970 3.970 4.497 -0.527 17827
9652 1 20 . 1 1 32 32 THR C C 25 177.437 177.437 175.139 2.298 17827
9653 1 20 . 1 1 32 32 THR CA C 25 66.470 66.470 62.504 3.966 17827
9654 1 20 . 1 1 32 32 THR CB C 25 68.220 68.220 69.850 -1.630 17827
9655 1 20 . 1 1 32 32 THR H H 25 8.245 8.245 8.274 -0.029 17827
9656 1 20 . 1 1 34 34 VAL N N 27 114.090 114.090 116.853 -2.763 17827
9657 1 20 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.202 0.298 17827
9658 1 20 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.506 -8.286 17827
9659 1 20 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.740 -6.680 17827
9660 1 20 . 1 1 34 34 VAL H H 27 6.977 6.977 7.408 -0.431 17827
9661 1 20 . 1 1 35 35 ASN N N 28 116.829 116.829 117.175 -0.346 17827
9662 1 20 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.499 -0.200 17827
9663 1 20 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.523 -0.873 17827
9664 1 20 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.740 -0.630 17827
9665 1 20 . 1 1 35 35 ASN H H 28 7.897 7.897 8.440 -0.543 17827
9666 1 20 . 1 1 36 36 ARG N N 29 114.310 114.310 118.086 -3.776 17827
9667 1 20 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.614 0.086 17827
9668 1 20 . 1 1 36 36 ARG C C 29 173.347 173.347 174.261 -0.914 17827
9669 1 20 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.917 -0.017 17827
9670 1 20 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.836 2.864 17827
9671 1 20 . 1 1 36 36 ARG H H 29 6.787 6.787 7.619 -0.832 17827
9672 1 20 . 1 1 37 37 ASP N N 30 124.071 124.071 117.926 6.145 17827
9673 1 20 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.665 0.810 17827
9674 1 20 . 1 1 37 37 ASP C C 30 175.354 175.354 174.670 0.684 17827
9675 1 20 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.461 0.199 17827
9676 1 20 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.189 0.071 17827
9677 1 20 . 1 1 37 37 ASP H H 30 8.760 8.760 8.419 0.341 17827
9678 1 20 . 1 1 38 38 VAL N N 31 123.300 123.300 118.932 4.368 17827
9679 1 20 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.570 -0.300 17827
9680 1 20 . 1 1 38 38 VAL C C 31 174.203 174.203 174.330 -0.127 17827
9681 1 20 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.169 0.531 17827
9682 1 20 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.180 -1.560 17827
9683 1 20 . 1 1 38 38 VAL H H 31 9.187 9.187 7.879 1.308 17827
9684 1 20 . 1 1 39 39 THR N N 32 119.766 119.766 113.298 6.468 17827
9685 1 20 . 1 1 39 39 THR HA H 32 5.095 5.095 4.891 0.204 17827
9686 1 20 . 1 1 39 39 THR C C 32 173.547 173.547 173.166 0.381 17827
9687 1 20 . 1 1 39 39 THR CA C 32 60.550 60.550 59.886 0.664 17827
9688 1 20 . 1 1 39 39 THR CB C 32 70.170 70.170 71.026 -0.856 17827
9689 1 20 . 1 1 39 39 THR H H 32 8.360 8.360 8.136 0.224 17827
9690 1 20 . 1 1 40 40 LEU N N 33 124.522 124.522 123.362 1.160 17827
9691 1 20 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.738 -0.148 17827
9692 1 20 . 1 1 40 40 LEU C C 33 174.691 174.691 175.954 -1.263 17827
9693 1 20 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.646 -1.066 17827
9694 1 20 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.643 0.767 17827
9695 1 20 . 1 1 40 40 LEU H H 33 8.750 8.750 8.253 0.497 17827
9696 1 20 . 1 1 41 41 ARG N N 34 122.712 122.712 124.245 -1.533 17827
9697 1 20 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.755 -0.075 17827
9698 1 20 . 1 1 41 41 ARG C C 34 175.700 175.700 174.923 0.777 17827
9699 1 20 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.594 0.826 17827
9700 1 20 . 1 1 41 41 ARG CB C 34 29.500 29.500 28.578 0.922 17827
9701 1 20 . 1 1 41 41 ARG H H 34 8.345 8.345 8.840 -0.495 17827
9702 1 20 . 1 1 42 42 VAL N N 35 117.728 117.728 115.961 1.767 17827
9703 1 20 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.617 -0.152 17827
9704 1 20 . 1 1 42 42 VAL C C 35 173.184 173.184 173.997 -0.813 17827
9705 1 20 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.017 -0.347 17827
9706 1 20 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.047 1.004 17827
9707 1 20 . 1 1 42 42 VAL H H 35 8.640 8.640 7.685 0.955 17827
9708 1 20 . 1 1 43 43 THR N N 36 104.359 104.359 108.578 -4.219 17827
9709 1 20 . 1 1 43 43 THR HA H 36 4.660 4.660 2.414 2.246 17827
9710 1 20 . 1 1 43 43 THR C C 36 174.862 174.862 175.095 -0.233 17827
9711 1 20 . 1 1 43 43 THR CA C 36 59.010 59.010 59.334 -0.324 17827
9712 1 20 . 1 1 43 43 THR CB C 36 71.570 71.570 71.415 0.155 17827
9713 1 20 . 1 1 43 43 THR H H 36 6.220 6.220 7.903 -1.683 17827
9714 1 20 . 1 1 44 44 GLY N N 37 105.946 105.946 107.347 -1.401 17827
9715 1 20 . 1 1 44 44 GLY C C 37 173.394 173.394 174.670 -1.276 17827
9716 1 20 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.565 0.265 17827
9717 1 20 . 1 1 44 44 GLY H H 37 9.160 9.160 8.700 0.460 17827
9718 1 20 . 1 1 45 45 GLU N N 38 113.875 113.875 117.470 -3.595 17827
9719 1 20 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.257 0.033 17827
9720 1 20 . 1 1 45 45 GLU C C 38 176.167 176.167 176.579 -0.412 17827
9721 1 20 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.942 -0.442 17827
9722 1 20 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.585 1.365 17827
9723 1 20 . 1 1 45 45 GLU H H 38 7.500 7.500 7.337 0.163 17827
9724 1 20 . 1 1 46 46 VAL N N 39 121.577 121.577 122.129 -0.552 17827
9725 1 20 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.929 -0.109 17827
9726 1 20 . 1 1 46 46 VAL C C 39 174.651 174.651 175.110 -0.459 17827
9727 1 20 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.178 1.742 17827
9728 1 20 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.705 -1.115 17827
9729 1 20 . 1 1 46 46 VAL H H 39 7.260 7.260 7.489 -0.229 17827
9730 1 20 . 1 1 47 47 HIS N N 40 123.391 123.391 125.715 -2.324 17827
9731 1 20 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.635 0.577 17827
9732 1 20 . 1 1 47 47 HIS C C 40 177.440 177.440 176.600 0.840 17827
9733 1 20 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.173 -2.513 17827
9734 1 20 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.898 0.012 17827
9735 1 20 . 1 1 47 47 HIS H H 40 8.285 8.285 8.393 -0.108 17827
9736 1 20 . 1 1 48 48 ILE N N 41 124.071 124.071 124.322 -0.251 17827
9737 1 20 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.858 -0.328 17827
9738 1 20 . 1 1 48 48 ILE C C 41 178.941 178.941 177.699 1.242 17827
9739 1 20 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.727 -3.397 17827
9740 1 20 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.874 -3.644 17827
9741 1 20 . 1 1 48 48 ILE H H 41 8.863 8.863 7.901 0.962 17827
9742 1 20 . 1 1 49 49 GLY N N 42 106.853 106.853 104.444 2.409 17827
9743 1 20 . 1 1 49 49 GLY C C 42 175.669 175.669 175.575 0.094 17827
9744 1 20 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.367 -1.046 17827
9745 1 20 . 1 1 49 49 GLY H H 42 9.720 9.720 8.800 0.920 17827
9746 1 20 . 1 1 50 50 GLY N N 43 109.571 109.571 109.134 0.437 17827
9747 1 20 . 1 1 50 50 GLY C C 43 175.847 175.847 175.658 0.189 17827
9748 1 20 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.748 1.252 17827
9749 1 20 . 1 1 50 50 GLY H H 43 6.950 6.950 8.242 -1.292 17827
9750 1 20 . 1 1 51 51 VAL N N 44 123.163 123.163 124.738 -1.575 17827
9751 1 20 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.692 -0.577 17827
9752 1 20 . 1 1 51 51 VAL C C 44 176.804 176.804 178.086 -1.282 17827
9753 1 20 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.015 -0.355 17827
9754 1 20 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.798 -1.068 17827
9755 1 20 . 1 1 51 51 VAL H H 44 7.860 7.860 8.637 -0.777 17827
9756 1 20 . 1 1 52 52 MET N N 45 115.913 115.913 117.328 -1.415 17827
9757 1 20 . 1 1 52 52 MET HA H 45 3.410 3.410 4.335 -0.925 17827
9758 1 20 . 1 1 52 52 MET C C 45 176.881 176.881 178.293 -1.412 17827
9759 1 20 . 1 1 52 52 MET CA C 45 59.830 59.830 59.634 0.196 17827
9760 1 20 . 1 1 52 52 MET CB C 45 32.310 32.310 31.921 0.389 17827
9761 1 20 . 1 1 52 52 MET H H 45 7.940 7.940 7.867 0.073 17827
9762 1 20 . 1 1 53 53 LEU N N 46 118.291 118.291 121.611 -3.320 17827
9763 1 20 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.929 0.011 17827
9764 1 20 . 1 1 53 53 LEU C C 46 179.178 179.178 179.190 -0.012 17827
9765 1 20 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.105 0.395 17827
9766 1 20 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.071 0.859 17827
9767 1 20 . 1 1 53 53 LEU H H 46 7.550 7.550 7.760 -0.210 17827
9768 1 20 . 1 1 54 54 LYS N N 47 118.142 118.142 119.376 -1.234 17827
9769 1 20 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.220 -0.350 17827
9770 1 20 . 1 1 54 54 LYS C C 47 178.616 178.616 179.328 -0.712 17827
9771 1 20 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.124 -1.144 17827
9772 1 20 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.098 0.222 17827
9773 1 20 . 1 1 54 54 LYS H H 47 7.665 7.665 8.465 -0.800 17827
9774 1 20 . 1 1 55 55 LEU N N 48 119.385 119.385 120.528 -1.143 17827
9775 1 20 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.308 -0.738 17827
9776 1 20 . 1 1 55 55 LEU C C 48 177.405 177.405 177.953 -0.548 17827
9777 1 20 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.917 -0.127 17827
9778 1 20 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.962 -0.372 17827
9779 1 20 . 1 1 55 55 LEU H H 48 7.975 7.975 7.832 0.143 17827
9780 1 20 . 1 1 56 56 VAL N N 49 116.141 116.141 119.821 -3.680 17827
9781 1 20 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.582 -0.592 17827
9782 1 20 . 1 1 56 56 VAL C C 49 178.564 178.564 177.911 0.653 17827
9783 1 20 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.014 -0.704 17827
9784 1 20 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.517 -0.217 17827
9785 1 20 . 1 1 56 56 VAL H H 49 7.615 7.615 8.932 -1.317 17827
9786 1 20 . 1 1 57 57 GLU N N 50 118.631 118.631 117.397 1.234 17827
9787 1 20 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.008 -0.043 17827
9788 1 20 . 1 1 57 57 GLU C C 50 178.030 178.030 178.030 0.000 17827
9789 1 20 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.838 -0.338 17827
9790 1 20 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.607 0.003 17827
9791 1 20 . 1 1 57 57 GLU H H 50 7.575 7.575 8.627 -1.052 17827
9792 1 20 . 1 1 58 58 LYS N N 51 117.053 117.053 118.775 -1.722 17827
9793 1 20 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.055 0.075 17827
9794 1 20 . 1 1 58 58 LYS C C 51 176.956 176.956 178.194 -1.238 17827
9795 1 20 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.452 -1.792 17827
9796 1 20 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.799 -0.139 17827
9797 1 20 . 1 1 58 58 LYS H H 51 7.490 7.490 7.349 0.141 17827
9798 1 20 . 1 1 59 59 LEU N N 52 119.460 119.460 120.344 -0.884 17827
9799 1 20 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.065 0.057 17827
9800 1 20 . 1 1 59 59 LEU C C 52 176.645 176.645 176.270 0.375 17827
9801 1 20 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.924 0.736 17827
9802 1 20 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.488 0.212 17827
9803 1 20 . 1 1 59 59 LEU H H 52 7.470 7.470 7.863 -0.393 17827
9804 1 20 . 1 1 62 62 LYS C C 55 175.670 175.670 175.154 0.516 17827
9805 1 20 . 1 1 63 63 LYS N N 56 122.430 122.430 120.741 1.689 17827
9806 1 20 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.524 -0.494 17827
9807 1 20 . 1 1 63 63 LYS C C 56 172.850 172.850 176.061 -3.211 17827
9808 1 20 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.403 -1.873 17827
9809 1 20 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.533 0.907 17827
9810 1 20 . 1 1 63 63 LYS H H 56 7.245 7.245 8.028 -0.783 17827
9811 1 20 . 1 1 64 64 ASP N N 57 118.867 118.867 120.845 -1.978 17827
9812 1 20 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.456 0.074 17827
9813 1 20 . 1 1 64 64 ASP C C 57 176.710 176.710 175.504 1.206 17827
9814 1 20 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.450 -0.950 17827
9815 1 20 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.314 -0.994 17827
9816 1 20 . 1 1 64 64 ASP H H 57 7.867 7.867 8.290 -0.423 17827
9817 1 20 . 1 1 65 65 TRP N N 58 128.827 128.827 120.034 8.793 17827
9818 1 20 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.684 -0.144 17827
9819 1 20 . 1 1 65 65 TRP C C 58 178.390 178.390 177.914 0.476 17827
9820 1 20 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.879 -6.019 17827
9821 1 20 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.852 0.567 17827
9822 1 20 . 1 1 65 65 TRP H H 58 8.790 8.790 7.106 1.684 17827
9823 1 20 . 1 1 66 66 SER N N 59 117.724 117.724 116.119 1.605 17827
9824 1 20 . 1 1 66 66 SER HA H 59 4.143 4.143 4.111 0.032 17827
9825 1 20 . 1 1 66 66 SER C C 59 174.471 174.471 175.802 -1.331 17827
9826 1 20 . 1 1 66 66 SER CA C 59 62.350 62.350 60.700 1.649 17827
9827 1 20 . 1 1 66 66 SER CB C 59 63.110 63.110 62.040 1.070 17827
9828 1 20 . 1 1 66 66 SER H H 59 8.637 8.637 8.560 0.077 17827
9829 1 20 . 1 1 67 67 ASP N N 60 121.042 121.042 121.342 -0.300 17827
9830 1 20 . 1 1 67 67 ASP C C 60 176.206 176.206 176.719 -0.513 17827
9831 1 20 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.844 1.716 17827
9832 1 20 . 1 1 67 67 ASP H H 60 8.895 8.895 8.291 0.604 17827
9833 1 20 . 1 1 68 68 HIS N N 61 121.519 121.519 117.864 3.655 17827
9834 1 20 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.105 0.385 17827
9835 1 20 . 1 1 68 68 HIS C C 61 174.546 174.546 173.535 1.011 17827
9836 1 20 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.358 1.582 17827
9837 1 20 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.099 8.311 17827
9838 1 20 . 1 1 68 68 HIS H H 61 7.958 7.958 7.569 0.389 17827
9839 1 20 . 1 1 69 69 ALA N N 62 122.256 122.256 117.992 4.264 17827
9840 1 20 . 1 1 69 69 ALA C C 62 175.294 175.294 174.711 0.583 17827
9841 1 20 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.669 -0.199 17827
9842 1 20 . 1 1 69 69 ALA H H 62 8.575 8.575 8.671 -0.096 17827
9843 1 20 . 1 1 70 70 LEU N N 63 118.904 118.904 119.901 -0.997 17827
9844 1 20 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.929 0.725 17827
9845 1 20 . 1 1 70 70 LEU C C 63 174.445 174.445 176.516 -2.071 17827
9846 1 20 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.075 0.855 17827
9847 1 20 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.587 1.713 17827
9848 1 20 . 1 1 70 70 LEU H H 63 9.150 9.150 8.621 0.529 17827
9849 1 20 . 1 1 71 71 TRP N N 64 125.367 125.367 127.332 -1.965 17827
9850 1 20 . 1 1 71 71 TRP C C 64 174.010 174.010 174.626 -0.616 17827
9851 1 20 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.922 1.288 17827
9852 1 20 . 1 1 71 71 TRP H H 64 9.590 9.590 8.703 0.887 17827
9853 1 20 . 1 1 72 72 TRP N N 65 129.982 129.982 129.285 0.697 17827
9854 1 20 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.964 0.016 17827
9855 1 20 . 1 1 72 72 TRP C C 65 174.335 174.335 175.891 -1.556 17827
9856 1 20 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.428 -3.987 17827
9857 1 20 . 1 1 72 72 TRP CB C 65 30.490 30.490 31.954 -1.464 17827
9858 1 20 . 1 1 72 72 TRP H H 65 8.277 8.277 8.800 -0.523 17827
9859 1 20 . 1 1 73 73 GLU N N 66 129.112 129.112 126.914 2.198 17827
9860 1 20 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.727 -0.427 17827
9861 1 20 . 1 1 73 73 GLU C C 66 178.595 178.595 177.357 1.238 17827
9862 1 20 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.061 0.859 17827
9863 1 20 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.843 0.217 17827
9864 1 20 . 1 1 73 73 GLU H H 66 8.969 8.969 8.885 0.084 17827
9865 1 20 . 1 1 74 74 LYS N N 67 117.492 117.492 117.663 -0.171 17827
9866 1 20 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.316 0.386 17827
9867 1 20 . 1 1 74 74 LYS C C 67 176.361 176.361 176.865 -0.504 17827
9868 1 20 . 1 1 74 74 LYS CA C 67 58.660 58.660 57.876 0.784 17827
9869 1 20 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.701 0.319 17827
9870 1 20 . 1 1 74 74 LYS H H 67 7.860 7.860 6.338 1.522 17827
9871 1 20 . 1 1 75 75 LYS N N 68 121.233 121.233 114.023 7.210 17827
9872 1 20 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.344 -0.409 17827
9873 1 20 . 1 1 75 75 LYS C C 68 174.183 174.183 175.071 -0.888 17827
9874 1 20 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.626 -2.226 17827
9875 1 20 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.883 -1.683 17827
9876 1 20 . 1 1 75 75 LYS H H 68 7.500 7.500 7.171 0.329 17827
9877 1 20 . 1 1 76 76 ARG N N 69 121.125 121.125 117.573 3.552 17827
9878 1 20 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.357 -1.467 17827
9879 1 20 . 1 1 76 76 ARG C C 69 173.984 173.984 174.874 -0.890 17827
9880 1 20 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.976 -0.660 17827
9881 1 20 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.402 -0.312 17827
9882 1 20 . 1 1 76 76 ARG H H 69 7.500 7.500 7.835 -0.335 17827
9883 1 20 . 1 1 77 77 THR N N 70 110.478 110.478 114.018 -3.540 17827
9884 1 20 . 1 1 77 77 THR HA H 70 4.650 4.650 3.731 0.919 17827
9885 1 20 . 1 1 77 77 THR C C 70 171.846 171.846 172.403 -0.557 17827
9886 1 20 . 1 1 77 77 THR CA C 70 61.630 61.630 60.322 1.308 17827
9887 1 20 . 1 1 77 77 THR CB C 70 72.210 72.210 70.295 1.915 17827
9888 1 20 . 1 1 77 77 THR H H 70 6.280 6.280 7.635 -1.355 17827
9889 1 20 . 1 1 78 78 TRP N N 71 127.244 127.244 125.336 1.908 17827
9890 1 20 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.200 -0.450 17827
9891 1 20 . 1 1 78 78 TRP C C 71 177.303 177.303 176.342 0.961 17827
9892 1 20 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.184 1.056 17827
9893 1 20 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.369 0.131 17827
9894 1 20 . 1 1 78 78 TRP H H 71 8.795 8.795 7.419 1.376 17827
9895 1 20 . 1 1 79 79 LEU N N 72 125.202 125.202 121.386 3.816 17827
9896 1 20 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.679 -0.179 17827
9897 1 20 . 1 1 79 79 LEU C C 72 175.667 175.667 177.117 -1.450 17827
9898 1 20 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.446 -1.936 17827
9899 1 20 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.341 -3.101 17827
9900 1 20 . 1 1 79 79 LEU H H 72 9.175 9.175 8.043 1.132 17827
9901 1 20 . 1 1 80 80 LEU N N 73 119.170 119.170 123.957 -4.787 17827
9902 1 20 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.516 -0.136 17827
9903 1 20 . 1 1 80 80 LEU C C 73 178.139 178.139 177.062 1.077 17827
9904 1 20 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.198 -0.498 17827
9905 1 20 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.373 -0.203 17827
9906 1 20 . 1 1 80 80 LEU H H 73 7.280 7.280 8.439 -1.159 17827
9907 1 20 . 1 1 81 81 LYS N N 74 119.766 119.766 119.194 0.572 17827
9908 1 20 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.257 0.178 17827
9909 1 20 . 1 1 81 81 LYS C C 74 176.601 176.601 176.024 0.577 17827
9910 1 20 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.619 -1.959 17827
9911 1 20 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.863 -4.323 17827
9912 1 20 . 1 1 81 81 LYS H H 74 7.865 7.865 7.745 0.120 17827
9913 1 20 . 1 1 82 82 THR N N 75 115.636 115.636 114.319 1.317 17827
9914 1 20 . 1 1 82 82 THR HA H 75 3.800 3.800 4.375 -0.575 17827
9915 1 20 . 1 1 82 82 THR C C 75 174.806 174.806 176.565 -1.759 17827
9916 1 20 . 1 1 82 82 THR CA C 75 64.650 64.650 64.818 -0.168 17827
9917 1 20 . 1 1 82 82 THR CB C 75 68.260 68.260 69.148 -0.888 17827
9918 1 20 . 1 1 82 82 THR H H 75 7.910 7.910 8.366 -0.456 17827
9919 1 20 . 1 1 83 83 HIS N N 76 116.767 116.767 121.704 -4.937 17827
9920 1 20 . 1 1 83 83 HIS C C 76 176.370 176.370 176.409 -0.039 17827
9921 1 20 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.538 0.672 17827
9922 1 20 . 1 1 83 83 HIS H H 76 8.965 8.965 8.679 0.286 17827
9923 1 20 . 1 1 84 84 TRP N N 77 123.905 123.905 120.432 3.473 17827
9924 1 20 . 1 1 84 84 TRP C C 77 175.584 175.584 176.238 -0.654 17827
9925 1 20 . 1 1 84 84 TRP CB C 77 30.390 30.390 26.636 3.754 17827
9926 1 20 . 1 1 84 84 TRP H H 77 7.635 7.635 8.555 -0.920 17827
9927 1 20 . 1 1 85 85 THR N N 78 108.440 108.440 114.722 -6.282 17827
9928 1 20 . 1 1 85 85 THR HA H 78 4.900 4.900 4.207 0.693 17827
9929 1 20 . 1 1 85 85 THR C C 78 175.691 175.691 176.245 -0.554 17827
9930 1 20 . 1 1 85 85 THR CA C 78 59.500 59.500 63.249 -3.749 17827
9931 1 20 . 1 1 85 85 THR CB C 78 70.600 70.600 69.581 1.019 17827
9932 1 20 . 1 1 85 85 THR H H 78 7.030 7.030 8.511 -1.481 17827
9933 1 20 . 1 1 86 86 LEU N N 79 119.766 119.766 120.287 -0.521 17827
9934 1 20 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.262 -0.222 17827
9935 1 20 . 1 1 86 86 LEU C C 79 179.734 179.734 179.220 0.514 17827
9936 1 20 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.263 0.487 17827
9937 1 20 . 1 1 86 86 LEU CB C 79 40.450 40.450 39.986 0.464 17827
9938 1 20 . 1 1 86 86 LEU H H 79 8.045 8.045 9.018 -0.973 17827
9939 1 20 . 1 1 87 87 ASP N N 80 118.407 118.407 119.385 -0.978 17827
9940 1 20 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.351 0.089 17827
9941 1 20 . 1 1 87 87 ASP C C 80 179.152 179.152 178.262 0.890 17827
9942 1 20 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.122 0.198 17827
9943 1 20 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.459 -0.139 17827
9944 1 20 . 1 1 87 87 ASP H H 80 8.935 8.935 8.765 0.170 17827
9945 1 20 . 1 1 88 88 LYS N N 81 123.300 123.300 119.542 3.758 17827
9946 1 20 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.850 -0.150 17827
9947 1 20 . 1 1 88 88 LYS C C 81 178.721 178.721 178.920 -0.199 17827
9948 1 20 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.818 0.202 17827
9949 1 20 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.925 -0.285 17827
9950 1 20 . 1 1 88 88 LYS H H 81 8.055 8.055 7.924 0.131 17827
9951 1 20 . 1 1 89 89 TYR N N 82 115.690 115.690 116.482 -0.792 17827
9952 1 20 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.277 0.303 17827
9953 1 20 . 1 1 89 89 TYR C C 82 176.164 176.164 176.255 -0.091 17827
9954 1 20 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.856 1.894 17827
9955 1 20 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.310 1.440 17827
9956 1 20 . 1 1 89 89 TYR H H 82 7.730 7.730 7.753 -0.023 17827
9957 1 20 . 1 1 90 90 GLY N N 83 108.212 108.212 105.736 2.476 17827
9958 1 20 . 1 1 90 90 GLY C C 83 174.555 174.555 174.456 0.099 17827
9959 1 20 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.026 0.484 17827
9960 1 20 . 1 1 90 90 GLY H H 83 8.030 8.030 7.811 0.219 17827
9961 1 20 . 1 1 91 91 ILE N N 84 122.960 122.960 120.370 2.590 17827
9962 1 20 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.260 -0.890 17827
9963 1 20 . 1 1 91 91 ILE C C 84 173.611 173.611 175.098 -1.487 17827
9964 1 20 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.013 0.687 17827
9965 1 20 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.495 -1.885 17827
9966 1 20 . 1 1 91 91 ILE H H 84 7.850 7.850 8.036 -0.186 17827
9967 1 20 . 1 1 92 92 GLN N N 85 125.429 125.429 124.194 1.235 17827
9968 1 20 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.000 -0.120 17827
9969 1 20 . 1 1 92 92 GLN C C 85 174.756 174.756 175.067 -0.311 17827
9970 1 20 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.850 -1.130 17827
9971 1 20 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.765 0.385 17827
9972 1 20 . 1 1 92 92 GLN H H 85 7.700 7.700 8.201 -0.501 17827
9973 1 20 . 1 1 93 93 ALA N N 86 118.217 118.217 120.719 -2.502 17827
9974 1 20 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.162 -0.362 17827
9975 1 20 . 1 1 93 93 ALA C C 86 177.201 177.201 177.318 -0.117 17827
9976 1 20 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.163 0.918 17827
9977 1 20 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.731 -0.321 17827
9978 1 20 . 1 1 93 93 ALA H H 86 6.886 6.886 8.042 -1.156 17827
9979 1 20 . 1 1 94 94 ASP N N 87 113.647 113.647 117.595 -3.948 17827
9980 1 20 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827
9981 1 20 . 1 1 94 94 ASP C C 87 176.218 176.218 175.205 1.013 17827
9982 1 20 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.868 0.192 17827
9983 1 20 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.924 -1.324 17827
9984 1 20 . 1 1 94 94 ASP H H 87 8.223 8.223 8.020 0.203 17827
9985 1 20 . 1 1 95 95 ALA N N 88 124.145 124.145 122.678 1.467 17827
9986 1 20 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.518 -0.212 17827
9987 1 20 . 1 1 95 95 ALA C C 88 176.630 176.630 176.081 0.549 17827
9988 1 20 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.422 1.898 17827
9989 1 20 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.435 0.585 17827
9990 1 20 . 1 1 95 95 ALA H H 88 7.941 7.941 7.056 0.885 17827
9991 1 20 . 1 1 96 96 LYS N N 89 120.897 120.897 125.891 -4.994 17827
9992 1 20 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.661 0.165 17827
9993 1 20 . 1 1 96 96 LYS C C 89 176.161 176.161 175.821 0.340 17827
9994 1 20 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.909 -0.173 17827
9995 1 20 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.253 0.137 17827
9996 1 20 . 1 1 96 96 LYS H H 89 8.500 8.500 8.328 0.172 17827
9997 1 20 . 1 1 97 97 LEU N N 90 122.960 122.960 123.913 -0.953 17827
9998 1 20 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.211 0.864 17827
9999 1 20 . 1 1 97 97 LEU C C 90 176.394 176.394 177.289 -0.895 17827
10000 1 20 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.569 -1.509 17827
10001 1 20 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.886 1.964 17827
10002 1 20 . 1 1 97 97 LEU H H 90 8.566 8.566 8.606 -0.040 17827
10003 1 20 . 1 1 98 98 GLN N N 91 119.538 119.538 115.986 3.552 17827
10004 1 20 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.915 0.795 17827
10005 1 20 . 1 1 98 98 GLN C C 91 174.144 174.144 174.624 -0.480 17827
10006 1 20 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.762 -0.402 17827
10007 1 20 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.941 -0.651 17827
10008 1 20 . 1 1 98 98 GLN H H 91 9.060 9.060 8.157 0.903 17827
10009 1 20 . 1 1 99 99 PHE N N 92 125.674 125.674 120.542 5.132 17827
10010 1 20 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.360 0.340 17827
10011 1 20 . 1 1 99 99 PHE C C 92 174.537 174.537 174.021 0.516 17827
10012 1 20 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.627 -2.438 17827
10013 1 20 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.700 -2.620 17827
10014 1 20 . 1 1 99 99 PHE H H 92 9.290 9.290 9.737 -0.447 17827
10015 1 20 . 1 1 100 100 THR N N 93 124.543 124.543 118.435 6.108 17827
10016 1 20 . 1 1 100 100 THR HA H 93 5.100 5.100 4.981 0.119 17827
10017 1 20 . 1 1 100 100 THR C C 93 180.164 180.164 172.082 8.082 17827
10018 1 20 . 1 1 100 100 THR CA C 93 58.830 58.830 59.216 -0.386 17827
10019 1 20 . 1 1 100 100 THR CB C 93 73.610 73.610 70.980 2.630 17827
10020 1 20 . 1 1 100 100 THR H H 93 8.945 8.945 8.711 0.234 17827
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 87 3.386 -0.810 3.307 17827
2 1 1 "Average Difference" HA 88 0.486 -0.033 0.488 17827
3 1 1 "Average Difference" C 87 1.300 0.019 1.307 17827
4 1 1 "Average Difference" CA 83 1.938 0.520 1.878 17827
5 1 1 "Average Difference" CB 81 1.762 0.096 1.770 17827
6 1 1 "Average Difference" HN 87 0.652 0.023 0.655 17827
7 1 2 "Average Difference" N 87 3.480 -0.748 3.418 17827
8 1 2 "Average Difference" HA 88 0.478 -0.016 0.480 17827
9 1 2 "Average Difference" C 87 1.348 -0.138 1.348 17827
10 1 2 "Average Difference" CA 83 1.912 0.483 1.862 17827
11 1 2 "Average Difference" CB 81 1.805 0.095 1.814 17827
12 1 2 "Average Difference" HN 87 0.660 -0.005 0.664 17827
13 1 3 "Average Difference" N 87 3.493 -0.967 3.376 17827
14 1 3 "Average Difference" HA 88 0.474 0.007 0.477 17827
15 1 3 "Average Difference" C 87 1.311 -0.017 1.319 17827
16 1 3 "Average Difference" CA 83 1.872 0.538 1.804 17827
17 1 3 "Average Difference" CB 81 1.784 0.112 1.791 17827
18 1 3 "Average Difference" HN 87 0.633 0.006 0.636 17827
19 1 4 "Average Difference" N 87 3.663 -0.841 3.586 17827
20 1 4 "Average Difference" HA 88 0.478 0.006 0.480 17827
21 1 4 "Average Difference" C 87 1.440 -0.029 1.448 17827
22 1 4 "Average Difference" CA 83 1.980 0.559 1.911 17827
23 1 4 "Average Difference" CB 81 1.796 0.176 1.799 17827
24 1 4 "Average Difference" HN 87 0.640 0.016 0.644 17827
25 1 5 "Average Difference" N 87 3.356 -0.643 3.313 17827
26 1 5 "Average Difference" HA 88 0.458 -0.002 0.460 17827
27 1 5 "Average Difference" C 87 1.271 -0.075 1.276 17827
28 1 5 "Average Difference" CA 83 1.881 0.431 1.842 17827
29 1 5 "Average Difference" CB 81 1.791 0.144 1.796 17827
30 1 5 "Average Difference" HN 87 0.659 -0.014 0.663 17827
31 1 6 "Average Difference" N 87 3.455 -0.951 3.340 17827
32 1 6 "Average Difference" HA 88 0.462 -0.016 0.464 17827
33 1 6 "Average Difference" C 87 1.322 -0.021 1.329 17827
34 1 6 "Average Difference" CA 83 1.978 0.466 1.934 17827
35 1 6 "Average Difference" CB 81 1.800 0.066 1.810 17827
36 1 6 "Average Difference" HN 87 0.616 -0.021 0.619 17827
37 1 7 "Average Difference" N 87 3.544 -0.840 3.463 17827
38 1 7 "Average Difference" HA 88 0.457 -0.027 0.459 17827
39 1 7 "Average Difference" C 87 1.300 -0.051 1.307 17827
40 1 7 "Average Difference" CA 83 1.885 0.448 1.843 17827
41 1 7 "Average Difference" CB 81 1.830 0.078 1.839 17827
42 1 7 "Average Difference" HN 87 0.636 0.009 0.640 17827
43 1 8 "Average Difference" N 87 3.535 -0.688 3.488 17827
44 1 8 "Average Difference" HA 88 0.483 -0.017 0.485 17827
45 1 8 "Average Difference" C 87 1.309 0.044 1.316 17827
46 1 8 "Average Difference" CA 83 1.916 0.524 1.854 17827
47 1 8 "Average Difference" CB 81 1.777 0.051 1.787 17827
48 1 8 "Average Difference" HN 87 0.634 0.011 0.638 17827
49 1 9 "Average Difference" N 87 3.426 -0.890 3.328 17827
50 1 9 "Average Difference" HA 88 0.469 0.014 0.472 17827
51 1 9 "Average Difference" C 87 1.252 0.042 1.258 17827
52 1 9 "Average Difference" CA 83 1.906 0.447 1.864 17827
53 1 9 "Average Difference" CB 81 1.743 0.094 1.751 17827
54 1 9 "Average Difference" HN 87 0.635 0.022 0.638 17827
55 1 10 "Average Difference" N 87 3.249 -0.689 3.193 17827
56 1 10 "Average Difference" HA 88 0.475 -0.022 0.478 17827
57 1 10 "Average Difference" C 87 1.351 0.037 1.358 17827
58 1 10 "Average Difference" CA 83 1.911 0.565 1.837 17827
59 1 10 "Average Difference" CB 81 1.757 0.068 1.767 17827
60 1 10 "Average Difference" HN 87 0.664 0.001 0.668 17827
61 1 11 "Average Difference" N 87 3.550 -0.643 3.512 17827
62 1 11 "Average Difference" HA 88 0.453 0.005 0.455 17827
63 1 11 "Average Difference" C 87 1.344 -0.026 1.352 17827
64 1 11 "Average Difference" CA 83 1.791 0.442 1.747 17827
65 1 11 "Average Difference" CB 81 1.763 0.066 1.773 17827
66 1 11 "Average Difference" HN 87 0.676 0.008 0.680 17827
67 1 12 "Average Difference" N 87 3.497 -0.930 3.391 17827
68 1 12 "Average Difference" HA 88 0.478 0.003 0.481 17827
69 1 12 "Average Difference" C 87 1.263 -0.075 1.268 17827
70 1 12 "Average Difference" CA 83 1.909 0.393 1.879 17827
71 1 12 "Average Difference" CB 81 1.824 0.168 1.827 17827
72 1 12 "Average Difference" HN 87 0.624 0.003 0.627 17827
73 1 13 "Average Difference" N 87 3.427 -0.528 3.406 17827
74 1 13 "Average Difference" HA 88 0.466 0.011 0.468 17827
75 1 13 "Average Difference" C 87 1.333 0.100 1.337 17827
76 1 13 "Average Difference" CA 83 1.867 0.544 1.797 17827
77 1 13 "Average Difference" CB 81 1.763 -0.010 1.774 17827
78 1 13 "Average Difference" HN 87 0.716 -0.008 0.720 17827
79 1 14 "Average Difference" N 87 3.472 -0.804 3.398 17827
80 1 14 "Average Difference" HA 88 0.498 -0.004 0.501 17827
81 1 14 "Average Difference" C 87 1.301 -0.094 1.305 17827
82 1 14 "Average Difference" CA 83 1.897 0.504 1.840 17827
83 1 14 "Average Difference" CB 81 1.789 0.135 1.795 17827
84 1 14 "Average Difference" HN 87 0.655 -0.012 0.659 17827
85 1 15 "Average Difference" N 87 3.333 -0.894 3.229 17827
86 1 15 "Average Difference" HA 88 0.465 -0.025 0.467 17827
87 1 15 "Average Difference" C 87 1.273 0.029 1.280 17827
88 1 15 "Average Difference" CA 83 1.851 0.523 1.786 17827
89 1 15 "Average Difference" CB 81 1.777 0.097 1.785 17827
90 1 15 "Average Difference" HN 87 0.742 -0.015 0.746 17827
91 1 16 "Average Difference" N 87 3.254 -0.646 3.207 17827
92 1 16 "Average Difference" HA 88 0.451 -0.015 0.454 17827
93 1 16 "Average Difference" C 87 1.299 -0.083 1.304 17827
94 1 16 "Average Difference" CA 83 1.908 0.380 1.882 17827
95 1 16 "Average Difference" CB 81 1.901 0.046 1.912 17827
96 1 16 "Average Difference" HN 87 0.626 -0.014 0.630 17827
97 1 17 "Average Difference" N 87 3.646 -0.792 3.580 17827
98 1 17 "Average Difference" HA 88 0.479 -0.003 0.482 17827
99 1 17 "Average Difference" C 87 1.310 0.006 1.317 17827
100 1 17 "Average Difference" CA 83 1.976 0.576 1.902 17827
101 1 17 "Average Difference" CB 81 1.760 0.106 1.767 17827
102 1 17 "Average Difference" HN 87 0.624 -0.005 0.627 17827
103 1 18 "Average Difference" N 87 3.440 -0.994 3.312 17827
104 1 18 "Average Difference" HA 88 0.454 0.000 0.456 17827
105 1 18 "Average Difference" C 87 1.345 0.075 1.350 17827
106 1 18 "Average Difference" CA 83 1.888 0.455 1.844 17827
107 1 18 "Average Difference" CB 81 1.761 0.048 1.772 17827
108 1 18 "Average Difference" HN 87 0.699 -0.029 0.702 17827
109 1 19 "Average Difference" N 87 3.415 -0.965 3.295 17827
110 1 19 "Average Difference" HA 88 0.468 -0.009 0.470 17827
111 1 19 "Average Difference" C 87 1.255 -0.073 1.260 17827
112 1 19 "Average Difference" CA 83 1.956 0.417 1.923 17827
113 1 19 "Average Difference" CB 81 1.801 0.035 1.812 17827
114 1 19 "Average Difference" HN 87 0.644 0.008 0.648 17827
115 1 20 "Average Difference" N 87 3.399 -0.796 3.323 17827
116 1 20 "Average Difference" HA 88 0.493 0.002 0.496 17827
117 1 20 "Average Difference" C 87 1.301 0.073 1.307 17827
118 1 20 "Average Difference" CA 83 1.935 0.504 1.880 17827
119 1 20 "Average Difference" CB 81 1.795 0.019 1.806 17827
120 1 20 "Average Difference" HN 87 0.696 -0.005 0.700 17827
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 17827
_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 9 9 ALA N N 2 124.336 124.336 123.124 1.212 17827
2 1 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.528 -0.318 17827
3 1 . 1 1 9 9 ALA C C 2 177.598 177.598 176.363 1.235 17827
4 1 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.792 0.648 17827
5 1 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.054 -0.023 17827
6 1 . 1 1 9 9 ALA H H 2 8.018 8.018 8.298 -0.280 17827
7 1 . 1 1 10 10 LEU N N 3 121.125 121.125 121.331 -0.206 17827
8 1 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.145 0.065 17827
9 1 . 1 1 10 10 LEU C C 3 177.094 177.094 177.294 -0.199 17827
10 1 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.185 -0.865 17827
11 1 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.132 0.038 17827
12 1 . 1 1 10 10 LEU H H 3 8.057 8.057 8.284 -0.227 17827
13 1 . 1 1 11 11 ASP N N 4 119.766 119.766 117.176 2.590 17827
14 1 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.495 -0.020 17827
15 1 . 1 1 11 11 ASP C C 4 176.509 176.509 176.816 -0.307 17827
16 1 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.921 -0.371 17827
17 1 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.876 0.074 17827
18 1 . 1 1 11 11 ASP H H 4 8.145 8.145 8.327 -0.182 17827
19 1 . 1 1 12 12 GLY N N 5 108.440 108.440 107.432 1.008 17827
20 1 . 1 1 12 12 GLY C C 5 173.692 173.692 175.384 -1.692 17827
21 1 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.389 -0.079 17827
22 1 . 1 1 12 12 GLY H H 5 8.110 8.110 8.272 -0.162 17827
23 1 . 1 1 13 13 ILE N N 6 119.766 119.766 120.276 -0.510 17827
24 1 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.699 0.401 17827
25 1 . 1 1 13 13 ILE C C 6 175.525 175.525 176.936 -1.411 17827
26 1 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.278 -2.568 17827
27 1 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.758 0.672 17827
28 1 . 1 1 13 13 ILE H H 6 7.790 7.790 7.894 -0.104 17827
29 1 . 1 1 14 14 ARG N N 7 125.657 125.657 119.053 6.604 17827
30 1 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.235 -0.025 17827
31 1 . 1 1 14 14 ARG C C 7 175.810 175.810 176.102 -0.292 17827
32 1 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.570 -1.930 17827
33 1 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.949 0.041 17827
34 1 . 1 1 14 14 ARG H H 7 8.410 8.410 8.008 0.402 17827
35 1 . 1 1 15 15 MET N N 8 123.598 123.598 114.723 8.875 17827
36 1 . 1 1 15 15 MET HA H 8 4.210 4.210 4.983 -0.773 17827
37 1 . 1 1 15 15 MET C C 8 174.950 174.950 174.441 0.509 17827
38 1 . 1 1 15 15 MET CA C 8 55.330 55.330 54.241 1.089 17827
39 1 . 1 1 15 15 MET CB C 8 31.730 31.730 32.247 -0.517 17827
40 1 . 1 1 15 15 MET H H 8 8.495 8.495 7.761 0.734 17827
41 1 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.324 -0.034 17827
42 1 . 1 1 16 16 PRO C C 9 176.228 176.228 176.442 -0.214 17827
43 1 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.937 -1.567 17827
44 1 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.967 0.853 17827
45 1 . 1 1 17 17 ASP N N 10 117.952 117.952 115.835 2.117 17827
46 1 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.619 -0.199 17827
47 1 . 1 1 17 17 ASP C C 10 176.714 176.714 176.598 0.116 17827
48 1 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.211 -0.081 17827
49 1 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.768 -0.338 17827
50 1 . 1 1 17 17 ASP H H 10 8.076 8.076 8.048 0.028 17827
51 1 . 1 1 18 18 GLY N N 11 108.663 108.663 105.931 2.732 17827
52 1 . 1 1 18 18 GLY C C 11 173.819 173.819 174.726 -0.907 17827
53 1 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.421 -0.121 17827
54 1 . 1 1 18 18 GLY H H 11 8.255 8.255 7.822 0.433 17827
55 1 . 1 1 19 19 CYS N N 12 118.179 118.179 120.404 -2.225 17827
56 1 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.265 0.284 17827
57 1 . 1 1 19 19 CYS C C 12 174.073 174.073 174.656 -0.583 17827
58 1 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.457 -3.037 17827
59 1 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.115 0.285 17827
60 1 . 1 1 19 19 CYS H H 12 7.850 7.850 8.374 -0.524 17827
61 1 . 1 1 20 20 TYR N N 13 120.897 120.897 119.264 1.633 17827
62 1 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.501 0.050 17827
63 1 . 1 1 20 20 TYR C C 13 176.748 176.748 175.060 1.688 17827
64 1 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.849 0.621 17827
65 1 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.919 0.292 17827
66 1 . 1 1 20 20 TYR H H 13 8.550 8.550 8.028 0.522 17827
67 1 . 1 1 21 21 ALA N N 14 124.750 124.750 124.817 -0.067 17827
68 1 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.126 0.064 17827
69 1 . 1 1 21 21 ALA C C 14 177.181 177.181 177.280 -0.099 17827
70 1 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.479 0.051 17827
71 1 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.842 -0.212 17827
72 1 . 1 1 21 21 ALA H H 14 8.615 8.615 8.112 0.503 17827
73 1 . 1 1 22 22 ASP N N 15 117.500 117.500 119.908 -2.408 17827
74 1 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.579 -0.099 17827
75 1 . 1 1 22 22 ASP C C 15 176.708 176.708 177.066 -0.358 17827
76 1 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.229 -0.729 17827
77 1 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.580 -0.850 17827
78 1 . 1 1 22 22 ASP H H 15 7.960 7.960 8.308 -0.348 17827
79 1 . 1 1 23 23 GLY N N 16 108.891 108.891 108.494 0.397 17827
80 1 . 1 1 23 23 GLY C C 16 174.373 174.373 173.877 0.496 17827
81 1 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.968 -0.598 17827
82 1 . 1 1 23 23 GLY H H 16 8.344 8.344 8.389 -0.045 17827
83 1 . 1 1 24 24 THR N N 17 110.929 110.929 110.676 0.253 17827
84 1 . 1 1 24 24 THR HA H 17 4.640 4.640 4.307 0.333 17827
85 1 . 1 1 24 24 THR C C 17 173.620 173.620 173.341 0.279 17827
86 1 . 1 1 24 24 THR CA C 17 60.540 60.540 60.677 -0.137 17827
87 1 . 1 1 24 24 THR CB C 17 72.100 72.100 70.193 1.907 17827
88 1 . 1 1 24 24 THR H H 17 7.850 7.850 7.474 0.375 17827
89 1 . 1 1 25 25 TRP N N 18 117.728 117.728 118.486 -0.758 17827
90 1 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.945 0.000 17827
91 1 . 1 1 25 25 TRP C C 18 174.164 174.164 173.952 0.212 17827
92 1 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.385 -1.765 17827
93 1 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.168 0.482 17827
94 1 . 1 1 25 25 TRP H H 18 8.640 8.640 7.540 1.100 17827
95 1 . 1 1 26 26 GLU N N 19 117.728 117.728 118.714 -0.986 17827
96 1 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.849 0.002 17827
97 1 . 1 1 26 26 GLU C C 19 174.786 174.786 174.561 0.225 17827
98 1 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.806 0.904 17827
99 1 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.492 -0.992 17827
100 1 . 1 1 26 26 GLU H H 19 8.744 8.744 8.491 0.253 17827
101 1 . 1 1 27 27 LEU N N 20 126.668 126.668 119.287 7.381 17827
102 1 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.739 0.141 17827
103 1 . 1 1 27 27 LEU C C 20 175.123 175.123 175.299 -0.176 17827
104 1 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.581 -0.329 17827
105 1 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.682 -1.402 17827
106 1 . 1 1 27 27 LEU H H 20 8.980 8.980 8.780 0.200 17827
107 1 . 1 1 28 28 SER N N 21 121.804 121.804 117.102 4.702 17827
108 1 . 1 1 28 28 SER HA H 21 4.894 4.894 4.978 -0.084 17827
109 1 . 1 1 28 28 SER C C 21 173.483 173.483 172.855 0.628 17827
110 1 . 1 1 28 28 SER CA C 21 57.880 57.880 57.031 0.849 17827
111 1 . 1 1 28 28 SER CB C 21 63.920 63.920 64.671 -0.751 17827
112 1 . 1 1 28 28 SER H H 21 8.785 8.785 8.480 0.305 17827
113 1 . 1 1 29 29 VAL N N 22 125.881 125.881 122.551 3.330 17827
114 1 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.424 -0.054 17827
115 1 . 1 1 29 29 VAL C C 22 173.953 173.953 174.777 -0.824 17827
116 1 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.203 0.237 17827
117 1 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.709 -1.359 17827
118 1 . 1 1 29 29 VAL H H 22 8.865 8.865 8.364 0.501 17827
119 1 . 1 1 30 30 HIS N N 23 126.560 126.560 123.287 3.273 17827
120 1 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.804 0.416 17827
121 1 . 1 1 30 30 HIS C C 23 174.596 174.596 174.087 0.509 17827
122 1 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.473 -0.223 17827
123 1 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.999 -2.449 17827
124 1 . 1 1 30 30 HIS H H 23 8.810 8.810 8.523 0.287 17827
125 1 . 1 1 31 31 VAL N N 24 130.587 130.587 127.453 3.134 17827
126 1 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.609 0.621 17827
127 1 . 1 1 31 31 VAL C C 24 177.426 177.426 176.268 1.158 17827
128 1 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.117 -6.587 17827
129 1 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.334 -0.294 17827
130 1 . 1 1 31 31 VAL H H 24 9.043 9.043 8.723 0.320 17827
131 1 . 1 1 32 32 THR N N 25 122.484 122.484 120.938 1.546 17827
132 1 . 1 1 32 32 THR HA H 25 3.970 3.970 4.382 -0.412 17827
133 1 . 1 1 32 32 THR C C 25 177.437 177.437 175.598 1.839 17827
134 1 . 1 1 32 32 THR CA C 25 66.470 66.470 63.522 2.948 17827
135 1 . 1 1 32 32 THR CB C 25 68.220 68.220 69.621 -1.401 17827
136 1 . 1 1 32 32 THR H H 25 8.245 8.245 8.671 -0.426 17827
137 1 . 1 1 34 34 VAL N N 27 114.090 114.090 116.229 -2.139 17827
138 1 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.149 0.351 17827
139 1 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.395 -8.175 17827
140 1 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.675 -6.615 17827
141 1 . 1 1 34 34 VAL H H 27 6.977 6.977 7.360 -0.383 17827
142 1 . 1 1 35 35 ASN N N 28 116.829 116.829 116.367 0.462 17827
143 1 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.481 -0.182 17827
144 1 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.290 -0.640 17827
145 1 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.789 -0.679 17827
146 1 . 1 1 35 35 ASN H H 28 7.897 7.897 8.196 -0.299 17827
147 1 . 1 1 36 36 ARG N N 29 114.310 114.310 117.398 -3.088 17827
148 1 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.687 0.013 17827
149 1 . 1 1 36 36 ARG C C 29 173.347 173.347 174.080 -0.733 17827
150 1 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.777 0.123 17827
151 1 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.297 2.403 17827
152 1 . 1 1 36 36 ARG H H 29 6.787 6.787 7.682 -0.895 17827
153 1 . 1 1 37 37 ASP N N 30 124.071 124.071 118.177 5.894 17827
154 1 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.680 0.795 17827
155 1 . 1 1 37 37 ASP C C 30 175.354 175.354 174.579 0.775 17827
156 1 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.324 0.336 17827
157 1 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.695 -0.436 17827
158 1 . 1 1 37 37 ASP H H 30 8.760 8.760 8.406 0.354 17827
159 1 . 1 1 38 38 VAL N N 31 123.300 123.300 118.483 4.817 17827
160 1 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.522 -0.252 17827
161 1 . 1 1 38 38 VAL C C 31 174.203 174.203 174.376 -0.173 17827
162 1 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.041 0.659 17827
163 1 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.212 -1.592 17827
164 1 . 1 1 38 38 VAL H H 31 9.187 9.187 7.930 1.257 17827
165 1 . 1 1 39 39 THR N N 32 119.766 119.766 113.471 6.295 17827
166 1 . 1 1 39 39 THR HA H 32 5.095 5.095 4.894 0.201 17827
167 1 . 1 1 39 39 THR C C 32 173.547 173.547 173.151 0.396 17827
168 1 . 1 1 39 39 THR CA C 32 60.550 60.550 60.048 0.502 17827
169 1 . 1 1 39 39 THR CB C 32 70.170 70.170 71.119 -0.949 17827
170 1 . 1 1 39 39 THR H H 32 8.360 8.360 8.118 0.242 17827
171 1 . 1 1 40 40 LEU N N 33 124.522 124.522 122.526 1.996 17827
172 1 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.638 -0.048 17827
173 1 . 1 1 40 40 LEU C C 33 174.691 174.691 175.844 -1.153 17827
174 1 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.701 -1.121 17827
175 1 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.440 0.970 17827
176 1 . 1 1 40 40 LEU H H 33 8.750 8.750 8.166 0.584 17827
177 1 . 1 1 41 41 ARG N N 34 122.712 122.712 124.448 -1.736 17827
178 1 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.704 -0.024 17827
179 1 . 1 1 41 41 ARG C C 34 175.700 175.700 174.492 1.208 17827
180 1 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.091 0.329 17827
181 1 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.536 -0.036 17827
182 1 . 1 1 41 41 ARG H H 34 8.345 8.345 8.756 -0.411 17827
183 1 . 1 1 42 42 VAL N N 35 117.728 117.728 117.944 -0.216 17827
184 1 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.514 -0.049 17827
185 1 . 1 1 42 42 VAL C C 35 173.184 173.184 173.671 -0.487 17827
186 1 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.180 -0.510 17827
187 1 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.241 0.809 17827
188 1 . 1 1 42 42 VAL H H 35 8.640 8.640 7.823 0.817 17827
189 1 . 1 1 43 43 THR N N 36 104.359 104.359 108.860 -4.501 17827
190 1 . 1 1 43 43 THR HA H 36 4.660 4.660 2.443 2.217 17827
191 1 . 1 1 43 43 THR C C 36 174.862 174.862 175.158 -0.296 17827
192 1 . 1 1 43 43 THR CA C 36 59.010 59.010 59.227 -0.217 17827
193 1 . 1 1 43 43 THR CB C 36 71.570 71.570 71.238 0.332 17827
194 1 . 1 1 43 43 THR H H 36 6.220 6.220 7.860 -1.640 17827
195 1 . 1 1 44 44 GLY N N 37 105.946 105.946 107.259 -1.313 17827
196 1 . 1 1 44 44 GLY C C 37 173.394 173.394 174.544 -1.150 17827
197 1 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.851 -0.021 17827
198 1 . 1 1 44 44 GLY H H 37 9.160 9.160 8.627 0.533 17827
199 1 . 1 1 45 45 GLU N N 38 113.875 113.875 117.316 -3.441 17827
200 1 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.291 -0.001 17827
201 1 . 1 1 45 45 GLU C C 38 176.167 176.167 176.513 -0.346 17827
202 1 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.985 -0.485 17827
203 1 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.794 1.156 17827
204 1 . 1 1 45 45 GLU H H 38 7.500 7.500 7.296 0.204 17827
205 1 . 1 1 46 46 VAL N N 39 121.577 121.577 122.226 -0.649 17827
206 1 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.940 -0.120 17827
207 1 . 1 1 46 46 VAL C C 39 174.651 174.651 175.110 -0.459 17827
208 1 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.128 1.792 17827
209 1 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.819 -1.229 17827
210 1 . 1 1 46 46 VAL H H 39 7.260 7.260 7.608 -0.348 17827
211 1 . 1 1 47 47 HIS N N 40 123.391 123.391 126.158 -2.767 17827
212 1 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.599 0.613 17827
213 1 . 1 1 47 47 HIS C C 40 177.440 177.440 176.480 0.960 17827
214 1 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.252 -1.592 17827
215 1 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.899 0.011 17827
216 1 . 1 1 47 47 HIS H H 40 8.285 8.285 8.403 -0.118 17827
217 1 . 1 1 48 48 ILE N N 41 124.071 124.071 124.315 -0.244 17827
218 1 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.821 -0.291 17827
219 1 . 1 1 48 48 ILE C C 41 178.941 178.941 177.837 1.104 17827
220 1 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.485 -3.155 17827
221 1 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.879 -3.649 17827
222 1 . 1 1 48 48 ILE H H 41 8.863 8.863 8.418 0.445 17827
223 1 . 1 1 49 49 GLY N N 42 106.853 106.853 104.674 2.179 17827
224 1 . 1 1 49 49 GLY C C 42 175.669 175.669 175.397 0.272 17827
225 1 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.256 -0.936 17827
226 1 . 1 1 49 49 GLY H H 42 9.720 9.720 8.676 1.044 17827
227 1 . 1 1 50 50 GLY N N 43 109.571 109.571 109.026 0.545 17827
228 1 . 1 1 50 50 GLY C C 43 175.847 175.847 175.469 0.378 17827
229 1 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.552 1.448 17827
230 1 . 1 1 50 50 GLY H H 43 6.950 6.950 8.233 -1.284 17827
231 1 . 1 1 51 51 VAL N N 44 123.163 123.163 124.640 -1.477 17827
232 1 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.625 -0.510 17827
233 1 . 1 1 51 51 VAL C C 44 176.804 176.804 177.930 -1.126 17827
234 1 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.063 -0.403 17827
235 1 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.928 -1.198 17827
236 1 . 1 1 51 51 VAL H H 44 7.860 7.860 8.675 -0.815 17827
237 1 . 1 1 52 52 MET N N 45 115.913 115.913 117.508 -1.595 17827
238 1 . 1 1 52 52 MET HA H 45 3.410 3.410 4.226 -0.816 17827
239 1 . 1 1 52 52 MET C C 45 176.881 176.881 178.150 -1.269 17827
240 1 . 1 1 52 52 MET CA C 45 59.830 59.830 59.536 0.294 17827
241 1 . 1 1 52 52 MET CB C 45 32.310 32.310 31.866 0.444 17827
242 1 . 1 1 52 52 MET H H 45 7.940 7.940 7.812 0.128 17827
243 1 . 1 1 53 53 LEU N N 46 118.291 118.291 121.544 -3.253 17827
244 1 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.023 -0.083 17827
245 1 . 1 1 53 53 LEU C C 46 179.178 179.178 179.243 -0.065 17827
246 1 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.007 0.493 17827
247 1 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.134 0.796 17827
248 1 . 1 1 53 53 LEU H H 46 7.550 7.550 7.709 -0.159 17827
249 1 . 1 1 54 54 LYS N N 47 118.142 118.142 119.210 -1.068 17827
250 1 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.126 -0.256 17827
251 1 . 1 1 54 54 LYS C C 47 178.616 178.616 179.250 -0.634 17827
252 1 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.204 -1.224 17827
253 1 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.070 0.250 17827
254 1 . 1 1 54 54 LYS H H 47 7.665 7.665 8.610 -0.945 17827
255 1 . 1 1 55 55 LEU N N 48 119.385 119.385 120.397 -1.012 17827
256 1 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.290 -0.720 17827
257 1 . 1 1 55 55 LEU C C 48 177.405 177.405 177.867 -0.462 17827
258 1 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.794 -0.004 17827
259 1 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.064 -0.474 17827
260 1 . 1 1 55 55 LEU H H 48 7.975 7.975 7.702 0.273 17827
261 1 . 1 1 56 56 VAL N N 49 116.141 116.141 119.896 -3.755 17827
262 1 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.638 -0.648 17827
263 1 . 1 1 56 56 VAL C C 49 178.564 178.564 178.245 0.319 17827
264 1 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.908 -0.598 17827
265 1 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.550 -0.250 17827
266 1 . 1 1 56 56 VAL H H 49 7.615 7.615 8.956 -1.341 17827
267 1 . 1 1 57 57 GLU N N 50 118.631 118.631 117.962 0.669 17827
268 1 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.083 -0.118 17827
269 1 . 1 1 57 57 GLU C C 50 178.030 178.030 178.258 -0.228 17827
270 1 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.851 -0.351 17827
271 1 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.589 0.021 17827
272 1 . 1 1 57 57 GLU H H 50 7.575 7.575 8.761 -1.186 17827
273 1 . 1 1 58 58 LYS N N 51 117.053 117.053 118.466 -1.413 17827
274 1 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.070 0.060 17827
275 1 . 1 1 58 58 LYS C C 51 176.956 176.956 178.002 -1.046 17827
276 1 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.481 -1.821 17827
277 1 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.956 -0.296 17827
278 1 . 1 1 58 58 LYS H H 51 7.490 7.490 7.468 0.022 17827
279 1 . 1 1 59 59 LEU N N 52 119.460 119.460 118.642 0.818 17827
280 1 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.198 -0.076 17827
281 1 . 1 1 59 59 LEU C C 52 176.645 176.645 176.454 0.191 17827
282 1 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.554 1.106 17827
283 1 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.357 0.343 17827
284 1 . 1 1 59 59 LEU H H 52 7.470 7.470 8.002 -0.532 17827
285 1 . 1 1 62 62 LYS C C 55 175.670 175.670 175.650 0.020 17827
286 1 . 1 1 63 63 LYS N N 56 122.430 122.430 121.391 1.039 17827
287 1 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.332 -0.302 17827
288 1 . 1 1 63 63 LYS C C 56 172.850 172.850 175.750 -2.900 17827
289 1 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.077 -1.547 17827
290 1 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.515 0.925 17827
291 1 . 1 1 63 63 LYS H H 56 7.245 7.245 7.891 -0.646 17827
292 1 . 1 1 64 64 ASP N N 57 118.867 118.867 121.384 -2.517 17827
293 1 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.244 0.286 17827
294 1 . 1 1 64 64 ASP C C 57 176.710 176.710 175.627 1.083 17827
295 1 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.928 -1.428 17827
296 1 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.521 -1.201 17827
297 1 . 1 1 64 64 ASP H H 57 7.867 7.867 8.281 -0.415 17827
298 1 . 1 1 65 65 TRP N N 58 128.827 128.827 121.487 7.340 17827
299 1 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.629 -0.089 17827
300 1 . 1 1 65 65 TRP C C 58 178.390 178.390 177.358 1.032 17827
301 1 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.471 -5.611 17827
302 1 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.041 0.379 17827
303 1 . 1 1 65 65 TRP H H 58 8.790 8.790 7.861 0.929 17827
304 1 . 1 1 66 66 SER N N 59 117.724 117.724 114.820 2.904 17827
305 1 . 1 1 66 66 SER HA H 59 4.143 4.143 4.331 -0.188 17827
306 1 . 1 1 66 66 SER C C 59 174.471 174.471 174.995 -0.524 17827
307 1 . 1 1 66 66 SER CA C 59 62.350 62.350 60.045 2.305 17827
308 1 . 1 1 66 66 SER CB C 59 63.110 63.110 62.863 0.247 17827
309 1 . 1 1 66 66 SER H H 59 8.637 8.637 8.164 0.473 17827
310 1 . 1 1 67 67 ASP N N 60 121.042 121.042 120.164 0.878 17827
311 1 . 1 1 67 67 ASP C C 60 176.206 176.206 176.350 -0.144 17827
312 1 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.082 1.478 17827
313 1 . 1 1 67 67 ASP H H 60 8.895 8.895 8.247 0.648 17827
314 1 . 1 1 68 68 HIS N N 61 121.519 121.519 117.009 4.510 17827
315 1 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.442 0.048 17827
316 1 . 1 1 68 68 HIS C C 61 174.546 174.546 174.001 0.545 17827
317 1 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.750 2.190 17827
318 1 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.987 8.423 17827
319 1 . 1 1 68 68 HIS H H 61 7.958 7.958 7.438 0.520 17827
320 1 . 1 1 69 69 ALA N N 62 122.256 122.256 118.688 3.568 17827
321 1 . 1 1 69 69 ALA C C 62 175.294 175.294 174.788 0.506 17827
322 1 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.585 -0.115 17827
323 1 . 1 1 69 69 ALA H H 62 8.575 8.575 8.635 -0.060 17827
324 1 . 1 1 70 70 LEU N N 63 118.904 118.904 120.282 -1.378 17827
325 1 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.928 0.726 17827
326 1 . 1 1 70 70 LEU C C 63 174.445 174.445 176.490 -2.045 17827
327 1 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.129 0.801 17827
328 1 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.246 2.054 17827
329 1 . 1 1 70 70 LEU H H 63 9.150 9.150 8.735 0.415 17827
330 1 . 1 1 71 71 TRP N N 64 125.367 125.367 127.284 -1.917 17827
331 1 . 1 1 71 71 TRP C C 64 174.010 174.010 175.216 -1.206 17827
332 1 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.494 1.717 17827
333 1 . 1 1 71 71 TRP H H 64 9.590 9.590 8.528 1.062 17827
334 1 . 1 1 72 72 TRP N N 65 129.982 129.982 129.198 0.784 17827
335 1 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.760 0.220 17827
336 1 . 1 1 72 72 TRP C C 65 174.335 174.335 176.097 -1.762 17827
337 1 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.464 -3.023 17827
338 1 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.391 0.099 17827
339 1 . 1 1 72 72 TRP H H 65 8.277 8.277 8.645 -0.368 17827
340 1 . 1 1 73 73 GLU N N 66 129.112 129.112 126.816 2.296 17827
341 1 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.710 -0.410 17827
342 1 . 1 1 73 73 GLU C C 66 178.595 178.595 177.229 1.366 17827
343 1 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.915 1.005 17827
344 1 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.938 0.122 17827
345 1 . 1 1 73 73 GLU H H 66 8.969 8.969 8.695 0.274 17827
346 1 . 1 1 74 74 LYS N N 67 117.492 117.492 119.021 -1.529 17827
347 1 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.663 0.039 17827
348 1 . 1 1 74 74 LYS C C 67 176.361 176.361 177.137 -0.776 17827
349 1 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.412 0.248 17827
350 1 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.475 0.545 17827
351 1 . 1 1 74 74 LYS H H 67 7.860 7.860 7.751 0.109 17827
352 1 . 1 1 75 75 LYS N N 68 121.233 121.233 114.718 6.515 17827
353 1 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.165 -0.230 17827
354 1 . 1 1 75 75 LYS C C 68 174.183 174.183 175.453 -1.270 17827
355 1 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.133 -1.733 17827
356 1 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.001 -0.801 17827
357 1 . 1 1 75 75 LYS H H 68 7.500 7.500 7.031 0.469 17827
358 1 . 1 1 76 76 ARG N N 69 121.125 121.125 116.911 4.214 17827
359 1 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.577 -0.687 17827
360 1 . 1 1 76 76 ARG C C 69 173.984 173.984 174.811 -0.827 17827
361 1 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.570 -0.253 17827
362 1 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.696 0.394 17827
363 1 . 1 1 76 76 ARG H H 69 7.500 7.500 7.892 -0.392 17827
364 1 . 1 1 77 77 THR N N 70 110.478 110.478 112.616 -2.138 17827
365 1 . 1 1 77 77 THR HA H 70 4.650 4.650 3.912 0.738 17827
366 1 . 1 1 77 77 THR C C 70 171.846 171.846 172.491 -0.645 17827
367 1 . 1 1 77 77 THR CA C 70 61.630 61.630 59.883 1.747 17827
368 1 . 1 1 77 77 THR CB C 70 72.210 72.210 70.682 1.528 17827
369 1 . 1 1 77 77 THR H H 70 6.280 6.280 7.389 -1.109 17827
370 1 . 1 1 78 78 TRP N N 71 127.244 127.244 121.881 5.363 17827
371 1 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.470 -0.720 17827
372 1 . 1 1 78 78 TRP C C 71 177.303 177.303 176.065 1.238 17827
373 1 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.513 0.727 17827
374 1 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.365 -0.865 17827
375 1 . 1 1 78 78 TRP H H 71 8.795 8.795 8.040 0.755 17827
376 1 . 1 1 79 79 LEU N N 72 125.202 125.202 122.444 2.758 17827
377 1 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.770 -0.270 17827
378 1 . 1 1 79 79 LEU C C 72 175.667 175.667 176.566 -0.899 17827
379 1 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.307 -1.797 17827
380 1 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.408 -3.168 17827
381 1 . 1 1 79 79 LEU H H 72 9.175 9.175 8.281 0.894 17827
382 1 . 1 1 80 80 LEU N N 73 119.170 119.170 123.761 -4.591 17827
383 1 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.527 -0.147 17827
384 1 . 1 1 80 80 LEU C C 73 178.139 178.139 176.829 1.310 17827
385 1 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.295 -0.595 17827
386 1 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.607 -0.437 17827
387 1 . 1 1 80 80 LEU H H 73 7.280 7.280 8.500 -1.220 17827
388 1 . 1 1 81 81 LYS N N 74 119.766 119.766 118.583 1.183 17827
389 1 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.322 0.113 17827
390 1 . 1 1 81 81 LYS C C 74 176.601 176.601 176.968 -0.367 17827
391 1 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.616 -1.956 17827
392 1 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.231 -4.691 17827
393 1 . 1 1 81 81 LYS H H 74 7.865 7.865 7.800 0.065 17827
394 1 . 1 1 82 82 THR N N 75 115.636 115.636 114.674 0.961 17827
395 1 . 1 1 82 82 THR HA H 75 3.800 3.800 4.355 -0.555 17827
396 1 . 1 1 82 82 THR C C 75 174.806 174.806 175.585 -0.779 17827
397 1 . 1 1 82 82 THR CA C 75 64.650 64.650 64.251 0.399 17827
398 1 . 1 1 82 82 THR CB C 75 68.260 68.260 68.955 -0.695 17827
399 1 . 1 1 82 82 THR H H 75 7.910 7.910 8.637 -0.727 17827
400 1 . 1 1 83 83 HIS N N 76 116.767 116.767 119.146 -2.379 17827
401 1 . 1 1 83 83 HIS C C 76 176.370 176.370 175.052 1.318 17827
402 1 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.656 0.554 17827
403 1 . 1 1 83 83 HIS H H 76 8.965 8.965 8.416 0.549 17827
404 1 . 1 1 84 84 TRP N N 77 123.905 123.905 119.410 4.495 17827
405 1 . 1 1 84 84 TRP C C 77 175.584 175.584 175.555 0.029 17827
406 1 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.370 2.020 17827
407 1 . 1 1 84 84 TRP H H 77 7.635 7.635 7.742 -0.107 17827
408 1 . 1 1 85 85 THR N N 78 108.440 108.440 114.730 -6.290 17827
409 1 . 1 1 85 85 THR HA H 78 4.900 4.900 4.192 0.708 17827
410 1 . 1 1 85 85 THR C C 78 175.691 175.691 176.073 -0.382 17827
411 1 . 1 1 85 85 THR CA C 78 59.500 59.500 63.607 -4.107 17827
412 1 . 1 1 85 85 THR CB C 78 70.600 70.600 69.590 1.010 17827
413 1 . 1 1 85 85 THR H H 78 7.030 7.030 7.841 -0.811 17827
414 1 . 1 1 86 86 LEU N N 79 119.766 119.766 120.817 -1.051 17827
415 1 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.118 -0.078 17827
416 1 . 1 1 86 86 LEU C C 79 179.734 179.734 179.052 0.682 17827
417 1 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.973 -0.223 17827
418 1 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.858 -0.408 17827
419 1 . 1 1 86 86 LEU H H 79 8.045 8.045 8.682 -0.637 17827
420 1 . 1 1 87 87 ASP N N 80 118.407 118.407 119.185 -0.778 17827
421 1 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.396 0.044 17827
422 1 . 1 1 87 87 ASP C C 80 179.152 179.152 178.419 0.733 17827
423 1 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.033 0.287 17827
424 1 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.520 -0.200 17827
425 1 . 1 1 87 87 ASP H H 80 8.935 8.935 8.778 0.157 17827
426 1 . 1 1 88 88 LYS N N 81 123.300 123.300 119.381 3.919 17827
427 1 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.867 -0.167 17827
428 1 . 1 1 88 88 LYS C C 81 178.721 178.721 178.292 0.429 17827
429 1 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.928 0.092 17827
430 1 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.898 -0.258 17827
431 1 . 1 1 88 88 LYS H H 81 8.055 8.055 8.030 0.025 17827
432 1 . 1 1 89 89 TYR N N 82 115.690 115.690 117.037 -1.347 17827
433 1 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.516 0.064 17827
434 1 . 1 1 89 89 TYR C C 82 176.164 176.164 176.010 0.154 17827
435 1 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.707 2.043 17827
436 1 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.341 1.409 17827
437 1 . 1 1 89 89 TYR H H 82 7.730 7.730 7.741 -0.011 17827
438 1 . 1 1 90 90 GLY N N 83 108.212 108.212 106.631 1.581 17827
439 1 . 1 1 90 90 GLY C C 83 174.555 174.555 174.420 0.135 17827
440 1 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.925 0.585 17827
441 1 . 1 1 90 90 GLY H H 83 8.030 8.030 7.817 0.213 17827
442 1 . 1 1 91 91 ILE N N 84 122.960 122.960 120.519 2.441 17827
443 1 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.198 -0.828 17827
444 1 . 1 1 91 91 ILE C C 84 173.611 173.611 175.039 -1.428 17827
445 1 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.267 0.433 17827
446 1 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.250 -1.640 17827
447 1 . 1 1 91 91 ILE H H 84 7.850 7.850 7.967 -0.117 17827
448 1 . 1 1 92 92 GLN N N 85 125.429 125.429 124.071 1.358 17827
449 1 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.846 0.034 17827
450 1 . 1 1 92 92 GLN C C 85 174.756 174.756 175.263 -0.507 17827
451 1 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.774 -1.054 17827
452 1 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.893 0.257 17827
453 1 . 1 1 92 92 GLN H H 85 7.700 7.700 8.162 -0.462 17827
454 1 . 1 1 93 93 ALA N N 86 118.217 118.217 120.958 -2.741 17827
455 1 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.245 -0.445 17827
456 1 . 1 1 93 93 ALA C C 86 177.201 177.201 177.358 -0.157 17827
457 1 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.278 0.802 17827
458 1 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.670 -0.260 17827
459 1 . 1 1 93 93 ALA H H 86 6.886 6.886 8.054 -1.168 17827
460 1 . 1 1 94 94 ASP N N 87 113.647 113.647 117.200 -3.553 17827
461 1 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827
462 1 . 1 1 94 94 ASP C C 87 176.218 176.218 175.159 1.059 17827
463 1 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.735 0.326 17827
464 1 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.918 -1.318 17827
465 1 . 1 1 94 94 ASP H H 87 8.223 8.223 8.044 0.179 17827
466 1 . 1 1 95 95 ALA N N 88 124.145 124.145 122.790 1.355 17827
467 1 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.542 -0.236 17827
468 1 . 1 1 95 95 ALA C C 88 176.630 176.630 176.328 0.302 17827
469 1 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.581 1.739 17827
470 1 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.557 0.463 17827
471 1 . 1 1 95 95 ALA H H 88 7.941 7.941 7.094 0.847 17827
472 1 . 1 1 96 96 LYS N N 89 120.897 120.897 126.263 -5.366 17827
473 1 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.710 0.116 17827
474 1 . 1 1 96 96 LYS C C 89 176.161 176.161 176.093 0.068 17827
475 1 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.102 -0.366 17827
476 1 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.227 0.163 17827
477 1 . 1 1 96 96 LYS H H 89 8.500 8.500 8.552 -0.052 17827
478 1 . 1 1 97 97 LEU N N 90 122.960 122.960 124.376 -1.416 17827
479 1 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.282 0.793 17827
480 1 . 1 1 97 97 LEU C C 90 176.394 176.394 176.770 -0.376 17827
481 1 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.684 -1.624 17827
482 1 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.985 1.865 17827
483 1 . 1 1 97 97 LEU H H 90 8.566 8.566 8.712 -0.146 17827
484 1 . 1 1 98 98 GLN N N 91 119.538 119.538 115.445 4.093 17827
485 1 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.880 0.830 17827
486 1 . 1 1 98 98 GLN C C 91 174.144 174.144 174.583 -0.439 17827
487 1 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.612 -0.253 17827
488 1 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.874 -0.584 17827
489 1 . 1 1 98 98 GLN H H 91 9.060 9.060 7.976 1.084 17827
490 1 . 1 1 99 99 PHE N N 92 125.674 125.674 120.316 5.358 17827
491 1 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.341 0.359 17827
492 1 . 1 1 99 99 PHE C C 92 174.537 174.537 174.034 0.503 17827
493 1 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.427 -2.237 17827
494 1 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.673 -2.593 17827
495 1 . 1 1 99 99 PHE H H 92 9.290 9.290 9.723 -0.433 17827
496 1 . 1 1 100 100 THR N N 93 124.543 124.543 118.240 6.303 17827
497 1 . 1 1 100 100 THR HA H 93 5.100 5.100 4.926 0.174 17827
498 1 . 1 1 100 100 THR C C 93 180.164 180.164 171.922 8.242 17827
499 1 . 1 1 100 100 THR CA C 93 58.830 58.830 59.277 -0.447 17827
500 1 . 1 1 100 100 THR CB C 93 73.610 73.610 71.054 2.556 17827
501 1 . 1 1 100 100 THR H H 93 8.945 8.945 8.854 0.091 17827
stop_
save_