data_18255
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18255
_Entry.PDB_ID 2LPD
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 18255
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.172 -0.212 18255
2 1 1 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.965 -1.265 18255
3 1 1 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.339 0.361 18255
4 1 1 . 1 1 8 8 HIS C C 8 175.200 175.200 174.361 0.839 18255
5 1 1 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.781 0.819 18255
6 1 1 . 1 1 8 8 HIS CB C 8 30.800 30.800 29.429 1.371 18255
7 1 1 . 1 1 9 9 MET N N 9 121.800 121.800 125.763 -3.963 18255
8 1 1 . 1 1 9 9 MET C C 9 176.400 176.400 175.888 0.512 18255
9 1 1 . 1 1 9 9 MET CA C 9 55.800 55.800 55.383 0.417 18255
10 1 1 . 1 1 9 9 MET CB C 9 32.800 32.800 33.195 -0.395 18255
11 1 1 . 1 1 9 9 MET H H 9 8.470 8.470 7.728 0.742 18255
12 1 1 . 1 1 10 10 GLY N N 10 109.800 109.800 110.296 -0.496 18255
13 1 1 . 1 1 10 10 GLY C C 10 174.100 174.100 175.414 -1.314 18255
14 1 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.294 1.006 18255
15 1 1 . 1 1 10 10 GLY H H 10 8.490 8.490 8.590 -0.100 18255
16 1 1 . 1 1 11 11 THR N N 11 113.600 113.600 116.341 -2.741 18255
17 1 1 . 1 1 11 11 THR HA H 11 3.710 3.710 3.893 -0.183 18255
18 1 1 . 1 1 11 11 THR C C 11 174.600 174.600 176.796 -2.196 18255
19 1 1 . 1 1 11 11 THR CA C 11 62.400 62.400 65.969 -3.569 18255
20 1 1 . 1 1 11 11 THR CB C 11 70.100 70.100 68.743 1.357 18255
21 1 1 . 1 1 11 11 THR H H 11 8.100 8.100 8.388 -0.288 18255
22 1 1 . 1 1 12 12 LEU N N 12 123.900 123.900 120.098 3.802 18255
23 1 1 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.547 -0.247 18255
24 1 1 . 1 1 12 12 LEU C C 12 177.400 177.400 175.784 1.616 18255
25 1 1 . 1 1 12 12 LEU CA C 12 55.600 55.600 56.717 -1.117 18255
26 1 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.587 -0.488 18255
27 1 1 . 1 1 12 12 LEU H H 12 8.350 8.350 7.800 0.550 18255
28 1 1 . 1 1 13 13 GLU N N 13 121.300 121.300 117.811 3.489 18255
29 1 1 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.949 -0.759 18255
30 1 1 . 1 1 13 13 GLU C C 13 176.200 176.200 174.875 1.325 18255
31 1 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 54.827 2.073 18255
32 1 1 . 1 1 13 13 GLU CB C 13 30.000 30.000 31.026 -1.026 18255
33 1 1 . 1 1 13 13 GLU H H 13 8.420 8.420 8.336 0.084 18255
34 1 1 . 1 1 14 14 ALA N N 14 124.100 124.100 127.101 -3.001 18255
35 1 1 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.456 -0.196 18255
36 1 1 . 1 1 14 14 ALA C C 14 177.700 177.700 175.469 2.231 18255
37 1 1 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.336 0.365 18255
38 1 1 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.298 -1.198 18255
39 1 1 . 1 1 14 14 ALA H H 14 8.260 8.260 9.045 -0.785 18255
40 1 1 . 1 1 15 15 GLN N N 15 119.100 119.100 123.600 -4.500 18255
41 1 1 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.334 0.026 18255
42 1 1 . 1 1 15 15 GLN C C 15 176.200 176.200 176.125 0.075 18255
43 1 1 . 1 1 15 15 GLN CA C 15 55.900 55.900 56.080 -0.180 18255
44 1 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.871 0.429 18255
45 1 1 . 1 1 15 15 GLN H H 15 8.340 8.340 8.449 -0.109 18255
46 1 1 . 1 1 16 16 THR N N 16 114.600 114.600 121.731 -7.131 18255
47 1 1 . 1 1 16 16 THR HA H 16 4.320 4.320 4.378 -0.058 18255
48 1 1 . 1 1 16 16 THR C C 16 174.300 174.300 173.639 0.661 18255
49 1 1 . 1 1 16 16 THR CA C 16 61.900 61.900 62.530 -0.630 18255
50 1 1 . 1 1 16 16 THR CB C 16 69.700 69.700 69.134 0.566 18255
51 1 1 . 1 1 16 16 THR H H 16 8.160 8.160 8.785 -0.625 18255
52 1 1 . 1 1 17 17 GLN N N 17 122.200 122.200 120.246 1.954 18255
53 1 1 . 1 1 17 17 GLN C C 17 175.800 175.800 174.155 1.645 18255
54 1 1 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.938 -0.037 18255
55 1 1 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.718 -0.118 18255
56 1 1 . 1 1 17 17 GLN H H 17 8.410 8.410 7.929 0.481 18255
57 1 1 . 1 1 18 18 GLY N N 18 110.100 110.100 108.473 1.627 18255
58 1 1 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.831 -0.232 18255
59 1 1 . 1 1 18 18 GLY H H 18 8.340 8.340 7.900 0.440 18255
60 1 1 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.479 -0.049 18255
61 1 1 . 1 1 19 19 PRO C C 19 177.500 177.500 176.817 0.683 18255
62 1 1 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.941 -0.441 18255
63 1 1 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.627 -0.527 18255
64 1 1 . 1 1 20 20 GLY N N 20 109.600 109.600 104.101 5.499 18255
65 1 1 . 1 1 20 20 GLY C C 20 174.000 174.000 174.022 -0.022 18255
66 1 1 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.983 0.217 18255
67 1 1 . 1 1 20 20 GLY H H 20 8.620 8.620 7.596 1.024 18255
68 1 1 . 1 1 21 21 SER N N 21 115.300 115.300 116.134 -0.834 18255
69 1 1 . 1 1 21 21 SER HA H 21 4.460 4.460 4.764 -0.304 18255
70 1 1 . 1 1 21 21 SER C C 21 174.700 174.700 175.512 -0.812 18255
71 1 1 . 1 1 21 21 SER CA C 21 58.400 58.400 59.379 -0.979 18255
72 1 1 . 1 1 21 21 SER CB C 21 64.000 64.000 64.629 -0.629 18255
73 1 1 . 1 1 21 21 SER H H 21 8.240 8.240 8.632 -0.392 18255
74 1 1 . 1 1 22 22 MET N N 22 122.000 122.000 119.400 2.600 18255
75 1 1 . 1 1 22 22 MET HA H 22 4.530 4.530 4.559 -0.029 18255
76 1 1 . 1 1 22 22 MET C C 22 176.000 176.000 174.401 1.599 18255
77 1 1 . 1 1 22 22 MET CA C 22 55.700 55.700 55.361 0.339 18255
78 1 1 . 1 1 22 22 MET CB C 22 32.600 32.600 34.524 -1.924 18255
79 1 1 . 1 1 22 22 MET H H 22 8.570 8.570 8.127 0.443 18255
80 1 1 . 1 1 23 23 ASP N N 23 120.600 120.600 120.092 0.508 18255
81 1 1 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.835 -0.205 18255
82 1 1 . 1 1 23 23 ASP C C 23 175.700 175.700 175.661 0.039 18255
83 1 1 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.149 1.651 18255
84 1 1 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.788 -0.788 18255
85 1 1 . 1 1 23 23 ASP H H 23 8.330 8.330 7.756 0.574 18255
86 1 1 . 1 1 24 24 ASP N N 24 119.800 119.800 117.798 2.002 18255
87 1 1 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.742 -0.082 18255
88 1 1 . 1 1 24 24 ASP C C 24 175.800 175.800 176.885 -1.085 18255
89 1 1 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.154 -0.054 18255
90 1 1 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.323 -0.023 18255
91 1 1 . 1 1 24 24 ASP H H 24 8.250 8.250 8.640 -0.390 18255
92 1 1 . 1 1 25 25 GLU N N 25 120.600 120.600 121.590 -0.990 18255
93 1 1 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.475 -0.255 18255
94 1 1 . 1 1 25 25 GLU C C 25 175.200 175.200 175.254 -0.054 18255
95 1 1 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.110 1.290 18255
96 1 1 . 1 1 25 25 GLU CB C 25 30.500 30.500 27.703 2.797 18255
97 1 1 . 1 1 25 25 GLU H H 25 8.190 8.190 8.129 0.061 18255
98 1 1 . 1 1 26 26 LEU N N 26 121.500 121.500 122.858 -1.358 18255
99 1 1 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.211 0.329 18255
100 1 1 . 1 1 26 26 LEU C C 26 175.200 175.200 175.845 -0.645 18255
101 1 1 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.443 -1.443 18255
102 1 1 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.103 1.597 18255
103 1 1 . 1 1 26 26 LEU H H 26 8.270 8.270 8.141 0.129 18255
104 1 1 . 1 1 27 27 TYR N N 27 119.400 119.400 121.095 -1.695 18255
105 1 1 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.172 -0.202 18255
106 1 1 . 1 1 27 27 TYR C C 27 173.100 173.100 174.960 -1.860 18255
107 1 1 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.867 -0.167 18255
108 1 1 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.548 1.352 18255
109 1 1 . 1 1 27 27 TYR H H 27 9.250 9.250 9.046 0.204 18255
110 1 1 . 1 1 28 28 PHE N N 28 114.700 114.700 119.177 -4.477 18255
111 1 1 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.887 0.183 18255
112 1 1 . 1 1 28 28 PHE C C 28 178.100 178.100 174.739 3.361 18255
113 1 1 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.109 0.991 18255
114 1 1 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.810 -1.310 18255
115 1 1 . 1 1 28 28 PHE H H 28 9.510 9.510 9.376 0.134 18255
116 1 1 . 1 1 29 29 VAL N N 29 121.100 121.100 122.020 -0.920 18255
117 1 1 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.661 -0.181 18255
118 1 1 . 1 1 29 29 VAL C C 29 175.200 175.200 175.307 -0.107 18255
119 1 1 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.246 1.754 18255
120 1 1 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.601 0.299 18255
121 1 1 . 1 1 29 29 VAL H H 29 9.110 9.110 8.824 0.286 18255
122 1 1 . 1 1 30 30 VAL N N 30 119.800 119.800 119.682 0.118 18255
123 1 1 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.663 -0.113 18255
124 1 1 . 1 1 30 30 VAL C C 30 173.800 173.800 174.186 -0.386 18255
125 1 1 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.079 -1.079 18255
126 1 1 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.206 -0.106 18255
127 1 1 . 1 1 30 30 VAL H H 30 8.890 8.890 9.214 -0.324 18255
128 1 1 . 1 1 31 31 ARG N N 31 119.700 119.700 118.462 1.238 18255
129 1 1 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.891 0.299 18255
130 1 1 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.233 -1.733 18255
131 1 1 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.352 0.748 18255
132 1 1 . 1 1 31 31 ARG H H 31 8.980 8.980 9.159 -0.179 18255
133 1 1 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.633 -0.393 18255
134 1 1 . 1 1 32 32 ASN C C 32 176.600 176.600 174.318 2.282 18255
135 1 1 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.923 -3.223 18255
136 1 1 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.205 -3.505 18255
137 1 1 . 1 1 33 33 ASN N N 33 114.800 114.800 118.637 -3.837 18255
138 1 1 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.300 -0.010 18255
139 1 1 . 1 1 33 33 ASN C C 33 175.600 175.600 175.080 0.520 18255
140 1 1 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.211 0.289 18255
141 1 1 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.034 -0.234 18255
142 1 1 . 1 1 33 33 ASN H H 33 7.760 7.760 8.757 -0.997 18255
143 1 1 . 1 1 34 34 GLU N N 34 116.900 116.900 117.416 -0.516 18255
144 1 1 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.291 0.019 18255
145 1 1 . 1 1 34 34 GLU C C 34 176.200 176.200 177.274 -1.074 18255
146 1 1 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.425 -0.525 18255
147 1 1 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.802 -0.302 18255
148 1 1 . 1 1 34 34 GLU H H 34 7.340 7.340 7.982 -0.642 18255
149 1 1 . 1 1 35 35 GLY N N 35 107.000 107.000 108.085 -1.085 18255
150 1 1 . 1 1 35 35 GLY C C 35 173.400 173.400 173.902 -0.502 18255
151 1 1 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.379 0.021 18255
152 1 1 . 1 1 35 35 GLY H H 35 7.720 7.720 8.528 -0.808 18255
153 1 1 . 1 1 36 36 GLN N N 36 117.700 117.700 117.398 0.302 18255
154 1 1 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.869 0.411 18255
155 1 1 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.689 -0.189 18255
156 1 1 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.994 -0.494 18255
157 1 1 . 1 1 36 36 GLN H H 36 7.570 7.570 7.379 0.191 18255
158 1 1 . 1 1 37 37 TYR C C 37 176.300 176.300 175.020 1.280 18255
159 1 1 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.733 -0.234 18255
160 1 1 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.844 1.956 18255
161 1 1 . 1 1 38 38 SER N N 38 114.700 114.700 115.942 -1.242 18255
162 1 1 . 1 1 38 38 SER HA H 38 5.770 5.770 4.923 0.847 18255
163 1 1 . 1 1 38 38 SER C C 38 173.100 173.100 173.069 0.031 18255
164 1 1 . 1 1 38 38 SER CA C 38 57.300 57.300 57.408 -0.108 18255
165 1 1 . 1 1 38 38 SER CB C 38 64.400 64.400 66.866 -2.466 18255
166 1 1 . 1 1 38 38 SER H H 38 9.230 9.230 8.916 0.314 18255
167 1 1 . 1 1 39 39 VAL N N 39 114.000 114.000 116.222 -2.222 18255
168 1 1 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.282 0.418 18255
169 1 1 . 1 1 39 39 VAL C C 39 175.200 175.200 174.587 0.613 18255
170 1 1 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.572 -0.672 18255
171 1 1 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.082 -1.282 18255
172 1 1 . 1 1 39 39 VAL H H 39 8.430 8.430 8.554 -0.124 18255
173 1 1 . 1 1 40 40 TRP N N 40 126.600 126.600 126.824 -0.224 18255
174 1 1 . 1 1 40 40 TRP C C 40 174.000 174.000 173.531 0.469 18255
175 1 1 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.206 0.294 18255
176 1 1 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.565 2.135 18255
177 1 1 . 1 1 40 40 TRP H H 40 9.590 9.590 9.374 0.216 18255
178 1 1 . 1 1 41 41 MET N N 41 127.700 127.700 124.823 2.877 18255
179 1 1 . 1 1 41 41 MET HA H 41 3.470 3.470 3.441 0.029 18255
180 1 1 . 1 1 41 41 MET C C 41 175.000 175.000 174.659 0.341 18255
181 1 1 . 1 1 41 41 MET CA C 41 56.900 56.900 55.016 1.884 18255
182 1 1 . 1 1 41 41 MET CB C 41 33.800 33.800 32.929 0.871 18255
183 1 1 . 1 1 41 41 MET H H 41 7.860 7.860 7.856 0.004 18255
184 1 1 . 1 1 42 42 ASP N N 42 123.400 123.400 127.645 -4.245 18255
185 1 1 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.573 -0.053 18255
186 1 1 . 1 1 42 42 ASP C C 42 176.800 176.800 177.247 -0.447 18255
187 1 1 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.167 -0.667 18255
188 1 1 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.742 -0.242 18255
189 1 1 . 1 1 42 42 ASP H H 42 8.290 8.290 8.037 0.253 18255
190 1 1 . 1 1 43 43 GLY N N 43 113.300 113.300 112.830 0.470 18255
191 1 1 . 1 1 43 43 GLY C C 43 174.000 174.000 173.998 0.002 18255
192 1 1 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.125 0.175 18255
193 1 1 . 1 1 43 43 GLY H H 43 8.350 8.350 8.534 -0.184 18255
194 1 1 . 1 1 44 44 ARG N N 44 119.600 119.600 123.462 -3.862 18255
195 1 1 . 1 1 44 44 ARG C C 44 176.600 176.600 176.233 0.367 18255
196 1 1 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.227 -0.427 18255
197 1 1 . 1 1 44 44 ARG CB C 44 31.500 31.500 30.952 0.548 18255
198 1 1 . 1 1 44 44 ARG H H 44 7.560 7.560 7.700 -0.140 18255
199 1 1 . 1 1 45 45 SER N N 45 121.000 121.000 122.193 -1.193 18255
200 1 1 . 1 1 45 45 SER HA H 45 4.310 4.310 4.420 -0.110 18255
201 1 1 . 1 1 45 45 SER C C 45 174.300 174.300 174.483 -0.183 18255
202 1 1 . 1 1 45 45 SER CA C 45 59.400 59.400 59.714 -0.314 18255
203 1 1 . 1 1 45 45 SER CB C 45 63.200 63.200 63.804 -0.604 18255
204 1 1 . 1 1 45 45 SER H H 45 8.830 8.830 8.862 -0.032 18255
205 1 1 . 1 1 46 46 LEU N N 46 127.900 127.900 126.170 1.730 18255
206 1 1 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.142 -0.292 18255
207 1 1 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.711 1.289 18255
208 1 1 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.776 0.424 18255
209 1 1 . 1 1 46 46 LEU H H 46 8.610 8.610 8.090 0.520 18255
210 1 1 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.321 -0.141 18255
211 1 1 . 1 1 47 47 PRO C C 47 175.700 175.700 176.130 -0.430 18255
212 1 1 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.732 -0.932 18255
213 1 1 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.167 -1.067 18255
214 1 1 . 1 1 48 48 ALA N N 48 123.600 123.600 125.867 -2.267 18255
215 1 1 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.169 -0.069 18255
216 1 1 . 1 1 48 48 ALA C C 48 178.800 178.800 178.372 0.428 18255
217 1 1 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.964 -0.464 18255
218 1 1 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.996 -0.796 18255
219 1 1 . 1 1 48 48 ALA H H 48 8.260 8.260 8.224 0.036 18255
220 1 1 . 1 1 49 49 GLY N N 49 110.200 110.200 111.509 -1.309 18255
221 1 1 . 1 1 49 49 GLY C C 49 173.800 173.800 174.220 -0.420 18255
222 1 1 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.418 0.682 18255
223 1 1 . 1 1 49 49 GLY H H 49 8.720 8.720 8.375 0.345 18255
224 1 1 . 1 1 50 50 TRP N N 50 119.900 119.900 121.956 -2.056 18255
225 1 1 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.611 0.059 18255
226 1 1 . 1 1 50 50 TRP C C 50 174.900 174.900 176.569 -1.669 18255
227 1 1 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.891 -1.691 18255
228 1 1 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.110 0.290 18255
229 1 1 . 1 1 50 50 TRP H H 50 7.640 7.640 7.909 -0.269 18255
230 1 1 . 1 1 51 51 GLU N N 51 118.200 118.200 121.767 -3.567 18255
231 1 1 . 1 1 51 51 GLU C C 51 175.400 175.400 175.659 -0.259 18255
232 1 1 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.740 -0.440 18255
233 1 1 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.126 0.474 18255
234 1 1 . 1 1 51 51 GLU H H 51 8.650 8.650 9.154 -0.504 18255
235 1 1 . 1 1 52 52 THR N N 52 112.200 112.200 112.795 -0.595 18255
236 1 1 . 1 1 52 52 THR C C 52 174.800 174.800 173.956 0.844 18255
237 1 1 . 1 1 52 52 THR CA C 52 62.000 62.000 59.772 2.228 18255
238 1 1 . 1 1 52 52 THR CB C 52 70.000 70.000 70.261 -0.261 18255
239 1 1 . 1 1 52 52 THR H H 52 8.450 8.450 8.271 0.179 18255
240 1 1 . 1 1 53 53 VAL N N 53 122.300 122.300 115.343 6.957 18255
241 1 1 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.476 -0.206 18255
242 1 1 . 1 1 53 53 VAL C C 53 176.200 176.200 174.305 1.895 18255
243 1 1 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.846 0.454 18255
244 1 1 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.828 -1.828 18255
245 1 1 . 1 1 53 53 VAL H H 53 8.800 8.800 8.752 0.048 18255
246 1 1 . 1 1 54 54 GLY N N 54 115.400 115.400 108.831 6.569 18255
247 1 1 . 1 1 54 54 GLY C C 54 173.100 173.100 173.512 -0.412 18255
248 1 1 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.836 0.064 18255
249 1 1 . 1 1 54 54 GLY H H 54 8.830 8.830 7.961 0.869 18255
250 1 1 . 1 1 55 55 GLU N N 55 119.000 119.000 121.090 -2.090 18255
251 1 1 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.750 -0.030 18255
252 1 1 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.249 -0.649 18255
253 1 1 . 1 1 55 55 GLU H H 55 8.390 8.390 8.433 -0.043 18255
254 1 1 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.009 0.411 18255
255 1 1 . 1 1 56 56 PRO C C 56 176.200 176.200 175.621 0.579 18255
256 1 1 . 1 1 56 56 PRO CA C 56 62.900 62.900 61.877 1.023 18255
257 1 1 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.228 0.272 18255
258 1 1 . 1 1 57 57 ALA N N 57 124.300 124.300 126.393 -2.093 18255
259 1 1 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.513 0.117 18255
260 1 1 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.101 0.199 18255
261 1 1 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.834 0.366 18255
262 1 1 . 1 1 57 57 ALA H H 57 9.580 9.580 8.566 1.014 18255
263 1 1 . 1 1 58 58 THR N N 58 108.700 108.700 114.393 -5.693 18255
264 1 1 . 1 1 58 58 THR C C 58 175.700 175.700 176.440 -0.740 18255
265 1 1 . 1 1 58 58 THR CA C 58 62.200 62.200 62.009 0.191 18255
266 1 1 . 1 1 58 58 THR CB C 58 70.600 70.600 70.000 0.600 18255
267 1 1 . 1 1 58 58 THR H H 58 8.070 8.070 8.101 -0.031 18255
268 1 1 . 1 1 59 59 LYS N N 59 123.400 123.400 126.483 -3.083 18255
269 1 1 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.452 -0.282 18255
270 1 1 . 1 1 59 59 LYS C C 59 178.100 178.100 178.456 -0.356 18255
271 1 1 . 1 1 59 59 LYS CA C 59 61.300 61.300 60.006 1.294 18255
272 1 1 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.956 -0.256 18255
273 1 1 . 1 1 59 59 LYS H H 59 9.420 9.420 8.711 0.709 18255
274 1 1 . 1 1 60 60 GLN N N 60 114.800 114.800 118.131 -3.331 18255
275 1 1 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.898 -0.028 18255
276 1 1 . 1 1 60 60 GLN C C 60 178.600 178.600 178.535 0.065 18255
277 1 1 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.113 0.087 18255
278 1 1 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.081 0.019 18255
279 1 1 . 1 1 60 60 GLN H H 60 8.610 8.610 7.782 0.828 18255
280 1 1 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.057 -0.027 18255
281 1 1 . 1 1 61 61 GLN C C 61 179.700 179.700 178.525 1.175 18255
282 1 1 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.845 0.055 18255
283 1 1 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.070 0.630 18255
284 1 1 . 1 1 61 61 GLN H H 61 7.690 7.690 7.833 -0.143 18255
285 1 1 . 1 1 62 62 CYS N N 62 118.800 118.800 118.750 0.050 18255
286 1 1 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.088 -0.198 18255
287 1 1 . 1 1 62 62 CYS C C 62 176.400 176.400 177.124 -0.724 18255
288 1 1 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.992 0.808 18255
289 1 1 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.489 -0.289 18255
290 1 1 . 1 1 62 62 CYS H H 62 8.460 8.460 8.113 0.347 18255
291 1 1 . 1 1 63 63 LEU N N 63 119.200 119.200 119.654 -0.454 18255
292 1 1 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.142 -0.252 18255
293 1 1 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.014 0.086 18255
294 1 1 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.760 0.140 18255
295 1 1 . 1 1 63 63 LEU H H 63 8.350 8.350 8.378 -0.028 18255
296 1 1 . 1 1 64 64 GLN N N 64 119.000 119.000 119.763 -0.763 18255
297 1 1 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.905 0.125 18255
298 1 1 . 1 1 64 64 GLN C C 64 178.400 178.400 178.413 -0.013 18255
299 1 1 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.352 -0.752 18255
300 1 1 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.547 -0.247 18255
301 1 1 . 1 1 64 64 GLN H H 64 7.910 7.910 8.550 -0.640 18255
302 1 1 . 1 1 65 65 ARG N N 65 120.000 120.000 119.455 0.545 18255
303 1 1 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.136 -0.136 18255
304 1 1 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.498 -0.198 18255
305 1 1 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.126 -0.226 18255
306 1 1 . 1 1 65 65 ARG H H 65 7.940 7.940 8.066 -0.126 18255
307 1 1 . 1 1 66 66 ILE HA H 66 3.370 3.370 4.065 -0.695 18255
308 1 1 . 1 1 66 66 ILE C C 66 176.700 176.700 177.833 -1.133 18255
309 1 1 . 1 1 66 66 ILE CA C 66 65.500 65.500 63.972 1.528 18255
310 1 1 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.508 0.392 18255
311 1 1 . 1 1 67 67 GLU N N 67 118.400 118.400 120.669 -2.269 18255
312 1 1 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.207 -0.257 18255
313 1 1 . 1 1 67 67 GLU C C 67 178.600 178.600 178.953 -0.353 18255
314 1 1 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.320 0.980 18255
315 1 1 . 1 1 67 67 GLU CB C 67 29.300 29.300 28.892 0.408 18255
316 1 1 . 1 1 67 67 GLU H H 67 7.600 7.600 8.694 -1.094 18255
317 1 1 . 1 1 68 68 GLN N N 68 116.400 116.400 115.772 0.628 18255
318 1 1 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.422 -0.302 18255
319 1 1 . 1 1 68 68 GLN C C 68 177.400 177.400 176.478 0.922 18255
320 1 1 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.115 1.485 18255
321 1 1 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.874 -0.274 18255
322 1 1 . 1 1 68 68 GLN H H 68 7.620 7.620 7.840 -0.220 18255
323 1 1 . 1 1 69 69 LEU N N 69 120.000 120.000 118.833 1.167 18255
324 1 1 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.412 -0.322 18255
325 1 1 . 1 1 69 69 LEU C C 69 176.600 176.600 177.782 -1.182 18255
326 1 1 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.251 0.549 18255
327 1 1 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.610 -0.710 18255
328 1 1 . 1 1 69 69 LEU H H 69 7.900 7.900 7.550 0.350 18255
329 1 1 . 1 1 70 70 TRP N N 70 119.200 119.200 119.799 -0.599 18255
330 1 1 . 1 1 70 70 TRP C C 70 177.100 177.100 178.127 -1.027 18255
331 1 1 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.475 -2.475 18255
332 1 1 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.420 -2.120 18255
333 1 1 . 1 1 70 70 TRP H H 70 8.120 8.120 8.195 -0.075 18255
334 1 1 . 1 1 71 71 THR N N 71 114.500 114.500 113.483 1.017 18255
335 1 1 . 1 1 71 71 THR HA H 71 4.160 4.160 4.027 0.133 18255
336 1 1 . 1 1 71 71 THR C C 71 174.700 174.700 174.901 -0.201 18255
337 1 1 . 1 1 71 71 THR CA C 71 63.700 63.700 65.463 -1.763 18255
338 1 1 . 1 1 71 71 THR CB C 71 69.500 69.500 68.459 1.041 18255
339 1 1 . 1 1 71 71 THR H H 71 7.960 7.960 7.876 0.084 18255
340 1 1 . 1 1 72 72 ASP N N 72 120.700 120.700 120.751 -0.051 18255
341 1 1 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.321 0.239 18255
342 1 1 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.382 -1.382 18255
343 1 1 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.776 0.024 18255
344 1 1 . 1 1 72 72 ASP H H 72 8.140 8.140 8.430 -0.290 18255
345 1 1 . 1 1 74 74 VAL N N 74 121.700 121.700 126.152 -4.452 18255
346 1 1 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.415 -0.075 18255
347 1 1 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.099 1.001 18255
348 1 1 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.375 -0.875 18255
349 1 1 . 1 1 74 74 VAL H H 74 7.950 7.950 8.059 -0.109 18255
350 1 1 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.619 -0.239 18255
351 1 1 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.419 0.881 18255
352 1 1 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.387 -0.187 18255
353 1 1 . 1 1 76 76 ALA N N 76 124.200 124.200 121.232 2.968 18255
354 1 1 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.088 0.052 18255
355 1 1 . 1 1 76 76 ALA C C 76 178.400 178.400 179.636 -1.236 18255
356 1 1 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.660 -0.860 18255
357 1 1 . 1 1 76 76 ALA CB C 76 18.700 18.700 17.934 0.766 18255
358 1 1 . 1 1 76 76 ALA H H 76 8.600 8.600 8.380 0.220 18255
359 1 1 . 1 1 77 77 SER N N 77 112.900 112.900 114.483 -1.583 18255
360 1 1 . 1 1 77 77 SER HA H 77 4.340 4.340 4.209 0.131 18255
361 1 1 . 1 1 77 77 SER C C 77 175.200 175.200 176.632 -1.432 18255
362 1 1 . 1 1 77 77 SER CA C 77 59.200 59.200 61.355 -2.155 18255
363 1 1 . 1 1 77 77 SER CB C 77 63.200 63.200 62.459 0.741 18255
364 1 1 . 1 1 77 77 SER H H 77 8.310 8.310 8.325 -0.015 18255
365 1 1 . 1 1 78 78 VAL N N 78 121.700 121.700 121.914 -0.214 18255
366 1 1 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.895 0.125 18255
367 1 1 . 1 1 78 78 VAL C C 78 176.600 176.600 177.037 -0.437 18255
368 1 1 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.220 -1.820 18255
369 1 1 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.967 0.333 18255
370 1 1 . 1 1 78 78 VAL H H 78 7.810 7.810 8.075 -0.265 18255
371 1 1 . 1 1 79 79 ARG N N 79 121.900 121.900 118.192 3.708 18255
372 1 1 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.102 0.058 18255
373 1 1 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.247 -1.947 18255
374 1 1 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.977 0.523 18255
375 1 1 . 1 1 79 79 ARG H H 79 8.100 8.100 8.043 0.057 18255
376 1 1 . 1 1 80 80 GLU N N 80 119.600 119.600 116.490 3.110 18255
377 1 1 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.481 0.519 18255
378 1 1 . 1 1 80 80 GLU H H 80 8.260 8.260 7.590 0.670 18255
379 1 1 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.545 0.005 18255
380 1 1 . 1 1 81 81 HIS C C 81 175.600 175.600 175.040 0.560 18255
381 1 1 . 1 1 81 81 HIS CA C 81 56.200 56.200 54.947 1.253 18255
382 1 1 . 1 1 81 81 HIS CB C 81 30.400 30.400 31.545 -1.145 18255
383 1 1 . 1 1 82 82 LEU N N 82 121.500 121.500 123.412 -1.912 18255
384 1 1 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.575 -0.315 18255
385 1 1 . 1 1 82 82 LEU C C 82 177.200 177.200 176.142 1.058 18255
386 1 1 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.897 0.703 18255
387 1 1 . 1 1 82 82 LEU CB C 82 42.100 42.100 40.789 1.311 18255
388 1 1 . 1 1 82 82 LEU H H 82 8.120 8.120 7.728 0.392 18255
389 1 1 . 1 1 83 83 ASN N N 83 118.300 118.300 124.955 -6.655 18255
390 1 1 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.495 0.144 18255
391 1 1 . 1 1 83 83 ASN CA C 83 53.500 53.500 55.186 -1.686 18255
392 1 1 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.258 -0.659 18255
393 1 1 . 1 1 83 83 ASN H H 83 8.400 8.400 8.396 0.004 18255
394 1 1 . 1 1 85 85 HIS C C 85 174.900 174.900 175.979 -1.079 18255
395 1 1 . 1 1 85 85 HIS CA C 85 56.300 56.300 59.222 -2.922 18255
396 1 1 . 1 1 85 85 HIS CB C 85 30.600 30.600 29.899 0.701 18255
397 1 1 . 1 1 86 86 SER N N 86 116.700 116.700 113.204 3.496 18255
398 1 1 . 1 1 86 86 SER C C 86 174.100 174.100 174.604 -0.504 18255
399 1 1 . 1 1 86 86 SER CA C 86 58.400 58.400 59.157 -0.757 18255
400 1 1 . 1 1 86 86 SER CB C 86 64.300 64.300 63.890 0.410 18255
401 1 1 . 1 1 86 86 SER H H 86 8.220 8.220 8.339 -0.119 18255
402 1 1 . 1 1 87 87 GLY N N 87 110.400 110.400 108.070 2.330 18255
403 1 1 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.416 0.084 18255
404 1 1 . 1 1 87 87 GLY H H 87 8.310 8.310 7.534 0.776 18255
405 1 1 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.180 0.190 18255
406 1 1 . 1 1 88 88 PRO C C 88 177.400 177.400 178.152 -0.752 18255
407 1 1 . 1 1 88 88 PRO CA C 88 63.200 63.200 64.070 -0.870 18255
408 1 1 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.398 -0.398 18255
409 1 1 . 1 1 89 89 GLY N N 89 109.300 109.300 107.658 1.642 18255
410 1 1 . 1 1 89 89 GLY C C 89 173.800 173.800 174.404 -0.604 18255
411 1 1 . 1 1 89 89 GLY CA C 89 45.200 45.200 46.001 -0.801 18255
412 1 1 . 1 1 89 89 GLY H H 89 8.500 8.500 8.513 -0.013 18255
413 1 1 . 1 1 90 90 ILE N N 90 119.600 119.600 125.965 -6.365 18255
414 1 1 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.123 -0.043 18255
415 1 1 . 1 1 90 90 ILE C C 90 175.400 175.400 174.365 1.035 18255
416 1 1 . 1 1 90 90 ILE CA C 90 61.000 61.000 59.349 1.651 18255
417 1 1 . 1 1 90 90 ILE CB C 90 38.900 38.900 35.630 3.270 18255
418 1 1 . 1 1 90 90 ILE H H 90 7.910 7.910 7.842 0.068 18255
419 1 1 . 1 1 91 91 ASP N N 91 123.400 123.400 126.238 -2.838 18255
420 1 1 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.218 0.352 18255
421 1 1 . 1 1 91 91 ASP C C 91 175.700 175.700 175.061 0.639 18255
422 1 1 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.096 -0.196 18255
423 1 1 . 1 1 91 91 ASP CB C 91 41.100 41.100 41.779 -0.679 18255
424 1 1 . 1 1 91 91 ASP H H 91 8.350 8.350 7.996 0.354 18255
425 1 1 . 1 1 92 92 TYR N N 92 120.800 120.800 123.522 -2.722 18255
426 1 1 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.495 -0.035 18255
427 1 1 . 1 1 92 92 TYR C C 92 175.200 175.200 175.535 -0.335 18255
428 1 1 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.667 0.333 18255
429 1 1 . 1 1 92 92 TYR CB C 92 38.600 38.600 37.906 0.694 18255
430 1 1 . 1 1 92 92 TYR H H 92 8.050 8.050 8.355 -0.305 18255
431 1 1 . 1 1 93 93 ALA N N 93 124.700 124.700 127.780 -3.080 18255
432 1 1 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.449 -0.149 18255
433 1 1 . 1 1 93 93 ALA C C 93 177.100 177.100 176.628 0.472 18255
434 1 1 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.767 0.634 18255
435 1 1 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.953 -0.653 18255
436 1 1 . 1 1 93 93 ALA H H 93 8.170 8.170 8.506 -0.336 18255
437 1 1 . 1 1 94 94 VAL N N 94 119.400 119.400 119.290 0.110 18255
438 1 1 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.325 -0.275 18255
439 1 1 . 1 1 94 94 VAL C C 94 175.100 175.100 175.218 -0.118 18255
440 1 1 . 1 1 94 94 VAL CA C 94 62.400 62.400 60.930 1.470 18255
441 1 1 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.085 0.215 18255
442 1 1 . 1 1 94 94 VAL H H 94 8.000 8.000 8.659 -0.659 18255
443 1 2 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.198 -0.238 18255
444 1 2 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.007 -0.307 18255
445 1 2 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.082 1.618 18255
446 1 2 . 1 1 8 8 HIS C C 8 175.200 175.200 174.771 0.429 18255
447 1 2 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.863 0.737 18255
448 1 2 . 1 1 8 8 HIS CB C 8 30.800 30.800 31.984 -1.184 18255
449 1 2 . 1 1 9 9 MET N N 9 121.800 121.800 117.563 4.237 18255
450 1 2 . 1 1 9 9 MET C C 9 176.400 176.400 175.111 1.289 18255
451 1 2 . 1 1 9 9 MET CA C 9 55.800 55.800 54.906 0.894 18255
452 1 2 . 1 1 9 9 MET CB C 9 32.800 32.800 37.012 -4.212 18255
453 1 2 . 1 1 9 9 MET H H 9 8.470 8.470 9.001 -0.531 18255
454 1 2 . 1 1 10 10 GLY N N 10 109.800 109.800 108.529 1.271 18255
455 1 2 . 1 1 10 10 GLY C C 10 174.100 174.100 173.799 0.301 18255
456 1 2 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.896 -0.596 18255
457 1 2 . 1 1 10 10 GLY H H 10 8.490 8.490 9.189 -0.699 18255
458 1 2 . 1 1 11 11 THR N N 11 113.600 113.600 113.762 -0.162 18255
459 1 2 . 1 1 11 11 THR HA H 11 3.710 3.710 4.635 -0.925 18255
460 1 2 . 1 1 11 11 THR C C 11 174.600 174.600 174.409 0.191 18255
461 1 2 . 1 1 11 11 THR CA C 11 62.400 62.400 61.492 0.908 18255
462 1 2 . 1 1 11 11 THR CB C 11 70.100 70.100 70.223 -0.123 18255
463 1 2 . 1 1 11 11 THR H H 11 8.100 8.100 7.855 0.245 18255
464 1 2 . 1 1 12 12 LEU N N 12 123.900 123.900 123.398 0.502 18255
465 1 2 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.582 -0.282 18255
466 1 2 . 1 1 12 12 LEU C C 12 177.400 177.400 175.988 1.412 18255
467 1 2 . 1 1 12 12 LEU CA C 12 55.600 55.600 55.594 0.006 18255
468 1 2 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.623 -0.523 18255
469 1 2 . 1 1 12 12 LEU H H 12 8.350 8.350 8.396 -0.046 18255
470 1 2 . 1 1 13 13 GLU N N 13 121.300 121.300 117.306 3.994 18255
471 1 2 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.572 -0.382 18255
472 1 2 . 1 1 13 13 GLU C C 13 176.200 176.200 175.141 1.059 18255
473 1 2 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.743 1.157 18255
474 1 2 . 1 1 13 13 GLU CB C 13 30.000 30.000 32.090 -2.090 18255
475 1 2 . 1 1 13 13 GLU H H 13 8.420 8.420 8.057 0.363 18255
476 1 2 . 1 1 14 14 ALA N N 14 124.100 124.100 122.579 1.521 18255
477 1 2 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.608 -0.348 18255
478 1 2 . 1 1 14 14 ALA C C 14 177.700 177.700 176.530 1.170 18255
479 1 2 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.719 0.981 18255
480 1 2 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.770 -0.670 18255
481 1 2 . 1 1 14 14 ALA H H 14 8.260 8.260 7.959 0.301 18255
482 1 2 . 1 1 15 15 GLN N N 15 119.100 119.100 118.612 0.488 18255
483 1 2 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.243 0.117 18255
484 1 2 . 1 1 15 15 GLN C C 15 176.200 176.200 177.096 -0.896 18255
485 1 2 . 1 1 15 15 GLN CA C 15 55.900 55.900 57.078 -1.178 18255
486 1 2 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.210 0.089 18255
487 1 2 . 1 1 15 15 GLN H H 15 8.340 8.340 8.580 -0.240 18255
488 1 2 . 1 1 16 16 THR N N 16 114.600 114.600 115.499 -0.899 18255
489 1 2 . 1 1 16 16 THR HA H 16 4.320 4.320 4.273 0.047 18255
490 1 2 . 1 1 16 16 THR C C 16 174.300 174.300 174.196 0.104 18255
491 1 2 . 1 1 16 16 THR CA C 16 61.900 61.900 62.475 -0.575 18255
492 1 2 . 1 1 16 16 THR CB C 16 69.700 69.700 67.491 2.209 18255
493 1 2 . 1 1 16 16 THR H H 16 8.160 8.160 8.184 -0.024 18255
494 1 2 . 1 1 17 17 GLN N N 17 122.200 122.200 123.582 -1.382 18255
495 1 2 . 1 1 17 17 GLN C C 17 175.800 175.800 176.152 -0.352 18255
496 1 2 . 1 1 17 17 GLN CA C 17 55.900 55.900 57.298 -1.398 18255
497 1 2 . 1 1 17 17 GLN CB C 17 29.600 29.600 30.110 -0.510 18255
498 1 2 . 1 1 17 17 GLN H H 17 8.410 8.410 8.265 0.145 18255
499 1 2 . 1 1 18 18 GLY N N 18 110.100 110.100 106.154 3.946 18255
500 1 2 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.474 0.126 18255
501 1 2 . 1 1 18 18 GLY H H 18 8.340 8.340 7.995 0.345 18255
502 1 2 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.429 0.001 18255
503 1 2 . 1 1 19 19 PRO C C 19 177.500 177.500 177.024 0.476 18255
504 1 2 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.357 0.143 18255
505 1 2 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.360 -0.260 18255
506 1 2 . 1 1 20 20 GLY N N 20 109.600 109.600 104.835 4.765 18255
507 1 2 . 1 1 20 20 GLY C C 20 174.000 174.000 173.567 0.433 18255
508 1 2 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.730 0.470 18255
509 1 2 . 1 1 20 20 GLY H H 20 8.620 8.620 7.740 0.880 18255
510 1 2 . 1 1 21 21 SER N N 21 115.300 115.300 114.529 0.771 18255
511 1 2 . 1 1 21 21 SER HA H 21 4.460 4.460 4.457 0.003 18255
512 1 2 . 1 1 21 21 SER C C 21 174.700 174.700 173.753 0.947 18255
513 1 2 . 1 1 21 21 SER CA C 21 58.400 58.400 59.147 -0.746 18255
514 1 2 . 1 1 21 21 SER CB C 21 64.000 64.000 63.746 0.254 18255
515 1 2 . 1 1 21 21 SER H H 21 8.240 8.240 8.291 -0.051 18255
516 1 2 . 1 1 22 22 MET N N 22 122.000 122.000 119.583 2.417 18255
517 1 2 . 1 1 22 22 MET HA H 22 4.530 4.530 4.188 0.342 18255
518 1 2 . 1 1 22 22 MET C C 22 176.000 176.000 175.713 0.287 18255
519 1 2 . 1 1 22 22 MET CA C 22 55.700 55.700 55.949 -0.249 18255
520 1 2 . 1 1 22 22 MET CB C 22 32.600 32.600 30.367 2.233 18255
521 1 2 . 1 1 22 22 MET H H 22 8.570 8.570 8.420 0.150 18255
522 1 2 . 1 1 23 23 ASP N N 23 120.600 120.600 120.503 0.097 18255
523 1 2 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.523 0.107 18255
524 1 2 . 1 1 23 23 ASP C C 23 175.700 175.700 176.510 -0.810 18255
525 1 2 . 1 1 23 23 ASP CA C 23 54.800 54.800 56.031 -1.231 18255
526 1 2 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.514 -0.514 18255
527 1 2 . 1 1 23 23 ASP H H 23 8.330 8.330 7.977 0.353 18255
528 1 2 . 1 1 24 24 ASP N N 24 119.800 119.800 119.676 0.124 18255
529 1 2 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.709 -0.049 18255
530 1 2 . 1 1 24 24 ASP C C 24 175.800 175.800 175.683 0.117 18255
531 1 2 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.581 0.519 18255
532 1 2 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.294 -0.994 18255
533 1 2 . 1 1 24 24 ASP H H 24 8.250 8.250 8.492 -0.242 18255
534 1 2 . 1 1 25 25 GLU N N 25 120.600 120.600 119.458 1.142 18255
535 1 2 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.457 -0.237 18255
536 1 2 . 1 1 25 25 GLU C C 25 175.200 175.200 175.841 -0.641 18255
537 1 2 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.834 0.566 18255
538 1 2 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.288 0.212 18255
539 1 2 . 1 1 25 25 GLU H H 25 8.190 8.190 8.541 -0.351 18255
540 1 2 . 1 1 26 26 LEU N N 26 121.500 121.500 123.084 -1.584 18255
541 1 2 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.573 -0.033 18255
542 1 2 . 1 1 26 26 LEU C C 26 175.200 175.200 176.219 -1.019 18255
543 1 2 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.536 -0.536 18255
544 1 2 . 1 1 26 26 LEU CB C 26 43.700 43.700 41.815 1.885 18255
545 1 2 . 1 1 26 26 LEU H H 26 8.270 8.270 8.534 -0.264 18255
546 1 2 . 1 1 27 27 TYR N N 27 119.400 119.400 120.631 -1.231 18255
547 1 2 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.034 -0.064 18255
548 1 2 . 1 1 27 27 TYR C C 27 173.100 173.100 174.756 -1.656 18255
549 1 2 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.096 -0.396 18255
550 1 2 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.714 1.186 18255
551 1 2 . 1 1 27 27 TYR H H 27 9.250 9.250 9.026 0.224 18255
552 1 2 . 1 1 28 28 PHE N N 28 114.700 114.700 119.543 -4.843 18255
553 1 2 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.955 0.115 18255
554 1 2 . 1 1 28 28 PHE C C 28 178.100 178.100 174.829 3.271 18255
555 1 2 . 1 1 28 28 PHE CA C 28 57.100 57.100 55.874 1.226 18255
556 1 2 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.970 -1.470 18255
557 1 2 . 1 1 28 28 PHE H H 28 9.510 9.510 9.450 0.060 18255
558 1 2 . 1 1 29 29 VAL N N 29 121.100 121.100 121.272 -0.172 18255
559 1 2 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.616 -0.136 18255
560 1 2 . 1 1 29 29 VAL C C 29 175.200 175.200 175.024 0.176 18255
561 1 2 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.397 1.603 18255
562 1 2 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.367 -0.467 18255
563 1 2 . 1 1 29 29 VAL H H 29 9.110 9.110 8.777 0.333 18255
564 1 2 . 1 1 30 30 VAL N N 30 119.800 119.800 119.064 0.736 18255
565 1 2 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.537 0.014 18255
566 1 2 . 1 1 30 30 VAL C C 30 173.800 173.800 173.932 -0.132 18255
567 1 2 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.202 -1.202 18255
568 1 2 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.135 -0.035 18255
569 1 2 . 1 1 30 30 VAL H H 30 8.890 8.890 9.109 -0.219 18255
570 1 2 . 1 1 31 31 ARG N N 31 119.700 119.700 118.226 1.474 18255
571 1 2 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.610 0.580 18255
572 1 2 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.163 -1.663 18255
573 1 2 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.093 1.007 18255
574 1 2 . 1 1 31 31 ARG H H 31 8.980 8.980 9.050 -0.070 18255
575 1 2 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.609 -0.369 18255
576 1 2 . 1 1 32 32 ASN C C 32 176.600 176.600 174.470 2.130 18255
577 1 2 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.706 -3.006 18255
578 1 2 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.680 -3.980 18255
579 1 2 . 1 1 33 33 ASN N N 33 114.800 114.800 119.332 -4.532 18255
580 1 2 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.285 0.005 18255
581 1 2 . 1 1 33 33 ASN C C 33 175.600 175.600 175.365 0.235 18255
582 1 2 . 1 1 33 33 ASN CA C 33 55.500 55.500 54.931 0.569 18255
583 1 2 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.003 -0.203 18255
584 1 2 . 1 1 33 33 ASN H H 33 7.760 7.760 8.872 -1.112 18255
585 1 2 . 1 1 34 34 GLU N N 34 116.900 116.900 116.292 0.608 18255
586 1 2 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.346 -0.036 18255
587 1 2 . 1 1 34 34 GLU C C 34 176.200 176.200 177.358 -1.158 18255
588 1 2 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.259 -0.359 18255
589 1 2 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.828 -0.328 18255
590 1 2 . 1 1 34 34 GLU H H 34 7.340 7.340 8.048 -0.708 18255
591 1 2 . 1 1 35 35 GLY N N 35 107.000 107.000 108.507 -1.507 18255
592 1 2 . 1 1 35 35 GLY C C 35 173.400 173.400 172.822 0.578 18255
593 1 2 . 1 1 35 35 GLY CA C 35 45.400 45.400 44.945 0.455 18255
594 1 2 . 1 1 35 35 GLY H H 35 7.720 7.720 7.950 -0.230 18255
595 1 2 . 1 1 36 36 GLN N N 36 117.700 117.700 118.936 -1.236 18255
596 1 2 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.076 1.204 18255
597 1 2 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.636 -0.136 18255
598 1 2 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.953 -0.453 18255
599 1 2 . 1 1 36 36 GLN H H 36 7.570 7.570 7.149 0.421 18255
600 1 2 . 1 1 37 37 TYR C C 37 176.300 176.300 175.323 0.977 18255
601 1 2 . 1 1 37 37 TYR CA C 37 57.500 57.500 58.408 -0.908 18255
602 1 2 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.309 2.491 18255
603 1 2 . 1 1 38 38 SER N N 38 114.700 114.700 117.840 -3.140 18255
604 1 2 . 1 1 38 38 SER HA H 38 5.770 5.770 5.031 0.739 18255
605 1 2 . 1 1 38 38 SER C C 38 173.100 173.100 172.989 0.111 18255
606 1 2 . 1 1 38 38 SER CA C 38 57.300 57.300 57.489 -0.189 18255
607 1 2 . 1 1 38 38 SER CB C 38 64.400 64.400 65.826 -1.426 18255
608 1 2 . 1 1 38 38 SER H H 38 9.230 9.230 8.963 0.267 18255
609 1 2 . 1 1 39 39 VAL N N 39 114.000 114.000 115.439 -1.439 18255
610 1 2 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.272 0.428 18255
611 1 2 . 1 1 39 39 VAL C C 39 175.200 175.200 174.618 0.582 18255
612 1 2 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.641 -0.741 18255
613 1 2 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.327 -1.527 18255
614 1 2 . 1 1 39 39 VAL H H 39 8.430 8.430 8.603 -0.173 18255
615 1 2 . 1 1 40 40 TRP N N 40 126.600 126.600 126.136 0.464 18255
616 1 2 . 1 1 40 40 TRP C C 40 174.000 174.000 173.605 0.395 18255
617 1 2 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.395 0.105 18255
618 1 2 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.348 2.352 18255
619 1 2 . 1 1 40 40 TRP H H 40 9.590 9.590 9.327 0.263 18255
620 1 2 . 1 1 41 41 MET N N 41 127.700 127.700 124.219 3.481 18255
621 1 2 . 1 1 41 41 MET HA H 41 3.470 3.470 3.323 0.147 18255
622 1 2 . 1 1 41 41 MET C C 41 175.000 175.000 174.953 0.047 18255
623 1 2 . 1 1 41 41 MET CA C 41 56.900 56.900 55.644 1.256 18255
624 1 2 . 1 1 41 41 MET CB C 41 33.800 33.800 32.894 0.906 18255
625 1 2 . 1 1 41 41 MET H H 41 7.860 7.860 7.827 0.033 18255
626 1 2 . 1 1 42 42 ASP N N 42 123.400 123.400 127.504 -4.104 18255
627 1 2 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.568 -0.048 18255
628 1 2 . 1 1 42 42 ASP C C 42 176.800 176.800 177.196 -0.396 18255
629 1 2 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.310 -0.810 18255
630 1 2 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.550 -0.050 18255
631 1 2 . 1 1 42 42 ASP H H 42 8.290 8.290 7.985 0.305 18255
632 1 2 . 1 1 43 43 GLY N N 43 113.300 113.300 114.352 -1.052 18255
633 1 2 . 1 1 43 43 GLY C C 43 174.000 174.000 174.260 -0.260 18255
634 1 2 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.315 -0.015 18255
635 1 2 . 1 1 43 43 GLY H H 43 8.350 8.350 8.630 -0.280 18255
636 1 2 . 1 1 44 44 ARG N N 44 119.600 119.600 122.405 -2.805 18255
637 1 2 . 1 1 44 44 ARG C C 44 176.600 176.600 176.392 0.208 18255
638 1 2 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.702 -0.902 18255
639 1 2 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.218 0.282 18255
640 1 2 . 1 1 44 44 ARG H H 44 7.560 7.560 7.555 0.005 18255
641 1 2 . 1 1 45 45 SER N N 45 121.000 121.000 121.164 -0.164 18255
642 1 2 . 1 1 45 45 SER HA H 45 4.310 4.310 4.443 -0.133 18255
643 1 2 . 1 1 45 45 SER C C 45 174.300 174.300 173.865 0.435 18255
644 1 2 . 1 1 45 45 SER CA C 45 59.400 59.400 59.156 0.244 18255
645 1 2 . 1 1 45 45 SER CB C 45 63.200 63.200 63.772 -0.572 18255
646 1 2 . 1 1 45 45 SER H H 45 8.830 8.830 8.689 0.141 18255
647 1 2 . 1 1 46 46 LEU N N 46 127.900 127.900 124.741 3.159 18255
648 1 2 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.300 -0.450 18255
649 1 2 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.790 1.210 18255
650 1 2 . 1 1 46 46 LEU CB C 46 42.200 42.200 43.184 -0.984 18255
651 1 2 . 1 1 46 46 LEU H H 46 8.610 8.610 8.231 0.379 18255
652 1 2 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.492 -0.312 18255
653 1 2 . 1 1 47 47 PRO C C 47 175.700 175.700 175.945 -0.245 18255
654 1 2 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.010 -0.210 18255
655 1 2 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.181 -1.081 18255
656 1 2 . 1 1 48 48 ALA N N 48 123.600 123.600 122.666 0.934 18255
657 1 2 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.148 -0.048 18255
658 1 2 . 1 1 48 48 ALA C C 48 178.800 178.800 178.265 0.535 18255
659 1 2 . 1 1 48 48 ALA CA C 48 53.500 53.500 54.086 -0.586 18255
660 1 2 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.899 -0.699 18255
661 1 2 . 1 1 48 48 ALA H H 48 8.260 8.260 8.255 0.005 18255
662 1 2 . 1 1 49 49 GLY N N 49 110.200 110.200 110.904 -0.704 18255
663 1 2 . 1 1 49 49 GLY C C 49 173.800 173.800 174.585 -0.785 18255
664 1 2 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.590 0.509 18255
665 1 2 . 1 1 49 49 GLY H H 49 8.720 8.720 8.317 0.403 18255
666 1 2 . 1 1 50 50 TRP N N 50 119.900 119.900 122.594 -2.694 18255
667 1 2 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.600 0.070 18255
668 1 2 . 1 1 50 50 TRP C C 50 174.900 174.900 176.259 -1.359 18255
669 1 2 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.918 -1.718 18255
670 1 2 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.792 0.608 18255
671 1 2 . 1 1 50 50 TRP H H 50 7.640 7.640 7.913 -0.273 18255
672 1 2 . 1 1 51 51 GLU N N 51 118.200 118.200 123.060 -4.860 18255
673 1 2 . 1 1 51 51 GLU C C 51 175.400 175.400 175.483 -0.083 18255
674 1 2 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.449 -0.149 18255
675 1 2 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.582 1.018 18255
676 1 2 . 1 1 51 51 GLU H H 51 8.650 8.650 8.982 -0.332 18255
677 1 2 . 1 1 52 52 THR N N 52 112.200 112.200 113.329 -1.129 18255
678 1 2 . 1 1 52 52 THR C C 52 174.800 174.800 174.110 0.690 18255
679 1 2 . 1 1 52 52 THR CA C 52 62.000 62.000 60.165 1.835 18255
680 1 2 . 1 1 52 52 THR CB C 52 70.000 70.000 70.639 -0.639 18255
681 1 2 . 1 1 52 52 THR H H 52 8.450 8.450 8.459 -0.009 18255
682 1 2 . 1 1 53 53 VAL N N 53 122.300 122.300 116.917 5.383 18255
683 1 2 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.289 -0.019 18255
684 1 2 . 1 1 53 53 VAL C C 53 176.200 176.200 174.433 1.767 18255
685 1 2 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.642 0.658 18255
686 1 2 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.654 -1.655 18255
687 1 2 . 1 1 53 53 VAL H H 53 8.800 8.800 8.742 0.058 18255
688 1 2 . 1 1 54 54 GLY N N 54 115.400 115.400 108.108 7.292 18255
689 1 2 . 1 1 54 54 GLY C C 54 173.100 173.100 173.566 -0.466 18255
690 1 2 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.351 -0.451 18255
691 1 2 . 1 1 54 54 GLY H H 54 8.830 8.830 8.178 0.652 18255
692 1 2 . 1 1 55 55 GLU N N 55 119.000 119.000 121.482 -2.482 18255
693 1 2 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.798 -0.078 18255
694 1 2 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.311 -1.711 18255
695 1 2 . 1 1 55 55 GLU H H 55 8.390 8.390 8.458 -0.068 18255
696 1 2 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.237 0.183 18255
697 1 2 . 1 1 56 56 PRO C C 56 176.200 176.200 175.517 0.683 18255
698 1 2 . 1 1 56 56 PRO CA C 56 62.900 62.900 61.890 1.010 18255
699 1 2 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.510 0.990 18255
700 1 2 . 1 1 57 57 ALA N N 57 124.300 124.300 126.596 -2.296 18255
701 1 2 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.524 0.106 18255
702 1 2 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.989 0.311 18255
703 1 2 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.850 0.350 18255
704 1 2 . 1 1 57 57 ALA H H 57 9.580 9.580 8.611 0.969 18255
705 1 2 . 1 1 58 58 THR N N 58 108.700 108.700 114.084 -5.384 18255
706 1 2 . 1 1 58 58 THR C C 58 175.700 175.700 176.263 -0.563 18255
707 1 2 . 1 1 58 58 THR CA C 58 62.200 62.200 61.876 0.324 18255
708 1 2 . 1 1 58 58 THR CB C 58 70.600 70.600 69.717 0.883 18255
709 1 2 . 1 1 58 58 THR H H 58 8.070 8.070 8.459 -0.389 18255
710 1 2 . 1 1 59 59 LYS N N 59 123.400 123.400 124.715 -1.315 18255
711 1 2 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.456 -0.286 18255
712 1 2 . 1 1 59 59 LYS C C 59 178.100 178.100 178.245 -0.145 18255
713 1 2 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.688 1.612 18255
714 1 2 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.849 -0.148 18255
715 1 2 . 1 1 59 59 LYS H H 59 9.420 9.420 8.847 0.573 18255
716 1 2 . 1 1 60 60 GLN N N 60 114.800 114.800 117.678 -2.878 18255
717 1 2 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.924 -0.054 18255
718 1 2 . 1 1 60 60 GLN C C 60 178.600 178.600 178.468 0.132 18255
719 1 2 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.057 0.143 18255
720 1 2 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.392 -0.292 18255
721 1 2 . 1 1 60 60 GLN H H 60 8.610 8.610 8.279 0.331 18255
722 1 2 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.053 -0.023 18255
723 1 2 . 1 1 61 61 GLN C C 61 179.700 179.700 178.450 1.250 18255
724 1 2 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.304 0.596 18255
725 1 2 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.648 0.052 18255
726 1 2 . 1 1 61 61 GLN H H 61 7.690 7.690 7.811 -0.121 18255
727 1 2 . 1 1 62 62 CYS N N 62 118.800 118.800 119.855 -1.055 18255
728 1 2 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.085 -0.195 18255
729 1 2 . 1 1 62 62 CYS C C 62 176.400 176.400 176.830 -0.430 18255
730 1 2 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.443 0.357 18255
731 1 2 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.787 -0.587 18255
732 1 2 . 1 1 62 62 CYS H H 62 8.460 8.460 8.498 -0.038 18255
733 1 2 . 1 1 63 63 LEU N N 63 119.200 119.200 118.969 0.231 18255
734 1 2 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.106 -0.216 18255
735 1 2 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.342 -0.242 18255
736 1 2 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.479 0.421 18255
737 1 2 . 1 1 63 63 LEU H H 63 8.350 8.350 8.248 0.102 18255
738 1 2 . 1 1 64 64 GLN N N 64 119.000 119.000 120.354 -1.354 18255
739 1 2 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.204 -0.174 18255
740 1 2 . 1 1 64 64 GLN C C 64 178.400 178.400 178.413 -0.013 18255
741 1 2 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.865 -0.265 18255
742 1 2 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.537 -0.237 18255
743 1 2 . 1 1 64 64 GLN H H 64 7.910 7.910 8.044 -0.134 18255
744 1 2 . 1 1 65 65 ARG N N 65 120.000 120.000 119.735 0.265 18255
745 1 2 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.148 -0.148 18255
746 1 2 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.198 0.102 18255
747 1 2 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.350 -0.450 18255
748 1 2 . 1 1 65 65 ARG H H 65 7.940 7.940 7.932 0.008 18255
749 1 2 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.789 -0.419 18255
750 1 2 . 1 1 66 66 ILE C C 66 176.700 176.700 177.713 -1.013 18255
751 1 2 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.491 1.009 18255
752 1 2 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.771 0.129 18255
753 1 2 . 1 1 67 67 GLU N N 67 118.400 118.400 120.865 -2.465 18255
754 1 2 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.949 0.001 18255
755 1 2 . 1 1 67 67 GLU C C 67 178.600 178.600 179.082 -0.482 18255
756 1 2 . 1 1 67 67 GLU CA C 67 59.300 59.300 59.822 -0.522 18255
757 1 2 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.411 -0.111 18255
758 1 2 . 1 1 67 67 GLU H H 67 7.600 7.600 8.376 -0.776 18255
759 1 2 . 1 1 68 68 GLN N N 68 116.400 116.400 115.335 1.065 18255
760 1 2 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.259 -0.139 18255
761 1 2 . 1 1 68 68 GLN C C 68 177.400 177.400 177.573 -0.173 18255
762 1 2 . 1 1 68 68 GLN CA C 68 57.600 57.600 57.871 -0.271 18255
763 1 2 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.774 -0.174 18255
764 1 2 . 1 1 68 68 GLN H H 68 7.620 7.620 7.673 -0.053 18255
765 1 2 . 1 1 69 69 LEU N N 69 120.000 120.000 119.024 0.976 18255
766 1 2 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.440 -0.350 18255
767 1 2 . 1 1 69 69 LEU C C 69 176.600 176.600 177.953 -1.353 18255
768 1 2 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.684 0.116 18255
769 1 2 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.691 -0.791 18255
770 1 2 . 1 1 69 69 LEU H H 69 7.900 7.900 7.510 0.390 18255
771 1 2 . 1 1 70 70 TRP N N 70 119.200 119.200 120.392 -1.192 18255
772 1 2 . 1 1 70 70 TRP C C 70 177.100 177.100 178.225 -1.125 18255
773 1 2 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.498 -2.498 18255
774 1 2 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.100 -1.800 18255
775 1 2 . 1 1 70 70 TRP H H 70 8.120 8.120 8.142 -0.022 18255
776 1 2 . 1 1 71 71 THR N N 71 114.500 114.500 115.593 -1.093 18255
777 1 2 . 1 1 71 71 THR HA H 71 4.160 4.160 4.178 -0.018 18255
778 1 2 . 1 1 71 71 THR C C 71 174.700 174.700 175.999 -1.299 18255
779 1 2 . 1 1 71 71 THR CA C 71 63.700 63.700 65.782 -2.082 18255
780 1 2 . 1 1 71 71 THR CB C 71 69.500 69.500 68.372 1.128 18255
781 1 2 . 1 1 71 71 THR H H 71 7.960 7.960 7.867 0.093 18255
782 1 2 . 1 1 72 72 ASP N N 72 120.700 120.700 121.989 -1.289 18255
783 1 2 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.458 0.102 18255
784 1 2 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.538 -1.538 18255
785 1 2 . 1 1 72 72 ASP CB C 72 40.800 40.800 41.117 -0.317 18255
786 1 2 . 1 1 72 72 ASP H H 72 8.140 8.140 8.180 -0.040 18255
787 1 2 . 1 1 74 74 VAL N N 74 121.700 121.700 124.778 -3.078 18255
788 1 2 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.400 -0.060 18255
789 1 2 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.158 0.942 18255
790 1 2 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.855 -1.355 18255
791 1 2 . 1 1 74 74 VAL H H 74 7.950 7.950 8.057 -0.107 18255
792 1 2 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.478 -0.098 18255
793 1 2 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.593 0.707 18255
794 1 2 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.258 -0.058 18255
795 1 2 . 1 1 76 76 ALA N N 76 124.200 124.200 121.061 3.139 18255
796 1 2 . 1 1 76 76 ALA HA H 76 4.140 4.140 3.990 0.150 18255
797 1 2 . 1 1 76 76 ALA C C 76 178.400 178.400 179.861 -1.461 18255
798 1 2 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.527 -0.727 18255
799 1 2 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.040 0.660 18255
800 1 2 . 1 1 76 76 ALA H H 76 8.600 8.600 8.374 0.226 18255
801 1 2 . 1 1 77 77 SER N N 77 112.900 112.900 114.300 -1.400 18255
802 1 2 . 1 1 77 77 SER HA H 77 4.340 4.340 3.993 0.347 18255
803 1 2 . 1 1 77 77 SER C C 77 175.200 175.200 175.761 -0.561 18255
804 1 2 . 1 1 77 77 SER CA C 77 59.200 59.200 60.421 -1.221 18255
805 1 2 . 1 1 77 77 SER CB C 77 63.200 63.200 62.628 0.572 18255
806 1 2 . 1 1 77 77 SER H H 77 8.310 8.310 8.163 0.147 18255
807 1 2 . 1 1 78 78 VAL N N 78 121.700 121.700 121.797 -0.097 18255
808 1 2 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.244 0.776 18255
809 1 2 . 1 1 78 78 VAL C C 78 176.600 176.600 177.103 -0.503 18255
810 1 2 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.120 -1.720 18255
811 1 2 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.616 0.684 18255
812 1 2 . 1 1 78 78 VAL H H 78 7.810 7.810 7.754 0.056 18255
813 1 2 . 1 1 79 79 ARG N N 79 121.900 121.900 117.442 4.458 18255
814 1 2 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.060 0.100 18255
815 1 2 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.160 -0.860 18255
816 1 2 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.375 1.125 18255
817 1 2 . 1 1 79 79 ARG H H 79 8.100 8.100 7.775 0.325 18255
818 1 2 . 1 1 80 80 GLU N N 80 119.600 119.600 119.459 0.141 18255
819 1 2 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.219 0.781 18255
820 1 2 . 1 1 80 80 GLU H H 80 8.260 8.260 7.573 0.687 18255
821 1 2 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.327 0.223 18255
822 1 2 . 1 1 81 81 HIS C C 81 175.600 175.600 176.628 -1.028 18255
823 1 2 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.836 -1.636 18255
824 1 2 . 1 1 81 81 HIS CB C 81 30.400 30.400 29.928 0.472 18255
825 1 2 . 1 1 82 82 LEU N N 82 121.500 121.500 116.191 5.309 18255
826 1 2 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.268 -0.008 18255
827 1 2 . 1 1 82 82 LEU C C 82 177.200 177.200 176.649 0.551 18255
828 1 2 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.859 0.741 18255
829 1 2 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.422 0.678 18255
830 1 2 . 1 1 82 82 LEU H H 82 8.120 8.120 7.362 0.758 18255
831 1 2 . 1 1 83 83 ASN N N 83 118.300 118.300 118.364 -0.064 18255
832 1 2 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.580 0.060 18255
833 1 2 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.930 -0.430 18255
834 1 2 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.683 -0.083 18255
835 1 2 . 1 1 83 83 ASN H H 83 8.400 8.400 7.575 0.825 18255
836 1 2 . 1 1 85 85 HIS C C 85 174.900 174.900 174.168 0.732 18255
837 1 2 . 1 1 85 85 HIS CA C 85 56.300 56.300 56.207 0.093 18255
838 1 2 . 1 1 85 85 HIS CB C 85 30.600 30.600 29.165 1.435 18255
839 1 2 . 1 1 86 86 SER N N 86 116.700 116.700 120.806 -4.106 18255
840 1 2 . 1 1 86 86 SER C C 86 174.100 174.100 174.897 -0.797 18255
841 1 2 . 1 1 86 86 SER CA C 86 58.400 58.400 57.910 0.490 18255
842 1 2 . 1 1 86 86 SER CB C 86 64.300 64.300 63.980 0.320 18255
843 1 2 . 1 1 86 86 SER H H 86 8.220 8.220 8.345 -0.125 18255
844 1 2 . 1 1 87 87 GLY N N 87 110.400 110.400 115.523 -5.123 18255
845 1 2 . 1 1 87 87 GLY CA C 87 44.500 44.500 45.782 -1.282 18255
846 1 2 . 1 1 87 87 GLY H H 87 8.310 8.310 8.724 -0.414 18255
847 1 2 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.345 0.025 18255
848 1 2 . 1 1 88 88 PRO C C 88 177.400 177.400 176.294 1.106 18255
849 1 2 . 1 1 88 88 PRO CA C 88 63.200 63.200 63.099 0.101 18255
850 1 2 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.023 -0.023 18255
851 1 2 . 1 1 89 89 GLY N N 89 109.300 109.300 108.262 1.038 18255
852 1 2 . 1 1 89 89 GLY C C 89 173.800 173.800 173.385 0.415 18255
853 1 2 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.392 0.808 18255
854 1 2 . 1 1 89 89 GLY H H 89 8.500 8.500 7.848 0.652 18255
855 1 2 . 1 1 90 90 ILE N N 90 119.600 119.600 120.646 -1.046 18255
856 1 2 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.530 -0.450 18255
857 1 2 . 1 1 90 90 ILE C C 90 175.400 175.400 174.257 1.143 18255
858 1 2 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.191 0.808 18255
859 1 2 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.799 1.101 18255
860 1 2 . 1 1 90 90 ILE H H 90 7.910 7.910 8.373 -0.463 18255
861 1 2 . 1 1 91 91 ASP N N 91 123.400 123.400 126.415 -3.015 18255
862 1 2 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.916 -0.346 18255
863 1 2 . 1 1 91 91 ASP C C 91 175.700 175.700 174.631 1.069 18255
864 1 2 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.638 0.262 18255
865 1 2 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.947 -2.847 18255
866 1 2 . 1 1 91 91 ASP H H 91 8.350 8.350 8.048 0.302 18255
867 1 2 . 1 1 92 92 TYR N N 92 120.800 120.800 118.554 2.246 18255
868 1 2 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.764 -0.304 18255
869 1 2 . 1 1 92 92 TYR C C 92 175.200 175.200 173.086 2.114 18255
870 1 2 . 1 1 92 92 TYR CA C 92 58.000 58.000 56.516 1.484 18255
871 1 2 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.943 -0.343 18255
872 1 2 . 1 1 92 92 TYR H H 92 8.050 8.050 7.631 0.419 18255
873 1 2 . 1 1 93 93 ALA N N 93 124.700 124.700 122.330 2.370 18255
874 1 2 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.536 -0.236 18255
875 1 2 . 1 1 93 93 ALA C C 93 177.100 177.100 176.887 0.213 18255
876 1 2 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.213 1.187 18255
877 1 2 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.067 -0.767 18255
878 1 2 . 1 1 93 93 ALA H H 93 8.170 8.170 8.157 0.013 18255
879 1 2 . 1 1 94 94 VAL N N 94 119.400 119.400 120.590 -1.190 18255
880 1 2 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.422 -0.372 18255
881 1 2 . 1 1 94 94 VAL C C 94 175.100 175.100 175.560 -0.460 18255
882 1 2 . 1 1 94 94 VAL CA C 94 62.400 62.400 60.809 1.591 18255
883 1 2 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.832 0.468 18255
884 1 2 . 1 1 94 94 VAL H H 94 8.000 8.000 8.482 -0.482 18255
885 1 3 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.416 -0.456 18255
886 1 3 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.398 -0.698 18255
887 1 3 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.672 0.028 18255
888 1 3 . 1 1 8 8 HIS C C 8 175.200 175.200 174.549 0.651 18255
889 1 3 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.799 -0.199 18255
890 1 3 . 1 1 8 8 HIS CB C 8 30.800 30.800 29.232 1.569 18255
891 1 3 . 1 1 9 9 MET N N 9 121.800 121.800 116.528 5.272 18255
892 1 3 . 1 1 9 9 MET C C 9 176.400 176.400 176.159 0.241 18255
893 1 3 . 1 1 9 9 MET CA C 9 55.800 55.800 56.387 -0.587 18255
894 1 3 . 1 1 9 9 MET CB C 9 32.800 32.800 33.251 -0.451 18255
895 1 3 . 1 1 9 9 MET H H 9 8.470 8.470 7.663 0.807 18255
896 1 3 . 1 1 10 10 GLY N N 10 109.800 109.800 109.694 0.106 18255
897 1 3 . 1 1 10 10 GLY C C 10 174.100 174.100 174.596 -0.496 18255
898 1 3 . 1 1 10 10 GLY CA C 10 45.300 45.300 46.084 -0.784 18255
899 1 3 . 1 1 10 10 GLY H H 10 8.490 8.490 7.992 0.498 18255
900 1 3 . 1 1 11 11 THR N N 11 113.600 113.600 113.717 -0.117 18255
901 1 3 . 1 1 11 11 THR HA H 11 3.710 3.710 4.390 -0.680 18255
902 1 3 . 1 1 11 11 THR C C 11 174.600 174.600 174.921 -0.321 18255
903 1 3 . 1 1 11 11 THR CA C 11 62.400 62.400 62.377 0.024 18255
904 1 3 . 1 1 11 11 THR CB C 11 70.100 70.100 69.703 0.397 18255
905 1 3 . 1 1 11 11 THR H H 11 8.100 8.100 8.157 -0.057 18255
906 1 3 . 1 1 12 12 LEU N N 12 123.900 123.900 120.838 3.062 18255
907 1 3 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.685 -0.385 18255
908 1 3 . 1 1 12 12 LEU C C 12 177.400 177.400 175.114 2.286 18255
909 1 3 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.685 0.915 18255
910 1 3 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.401 -1.301 18255
911 1 3 . 1 1 12 12 LEU H H 12 8.350 8.350 7.723 0.627 18255
912 1 3 . 1 1 13 13 GLU N N 13 121.300 121.300 120.674 0.626 18255
913 1 3 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.951 -0.761 18255
914 1 3 . 1 1 13 13 GLU C C 13 176.200 176.200 175.737 0.463 18255
915 1 3 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.819 0.081 18255
916 1 3 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.437 -0.437 18255
917 1 3 . 1 1 13 13 GLU H H 13 8.420 8.420 8.423 -0.003 18255
918 1 3 . 1 1 14 14 ALA N N 14 124.100 124.100 127.741 -3.641 18255
919 1 3 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.359 -0.099 18255
920 1 3 . 1 1 14 14 ALA C C 14 177.700 177.700 176.233 1.467 18255
921 1 3 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.710 -0.010 18255
922 1 3 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.180 -1.080 18255
923 1 3 . 1 1 14 14 ALA H H 14 8.260 8.260 9.503 -1.243 18255
924 1 3 . 1 1 15 15 GLN N N 15 119.100 119.100 118.482 0.618 18255
925 1 3 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.844 -0.484 18255
926 1 3 . 1 1 15 15 GLN C C 15 176.200 176.200 174.754 1.446 18255
927 1 3 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.510 0.391 18255
928 1 3 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.994 -1.694 18255
929 1 3 . 1 1 15 15 GLN H H 15 8.340 8.340 8.467 -0.127 18255
930 1 3 . 1 1 16 16 THR N N 16 114.600 114.600 117.155 -2.555 18255
931 1 3 . 1 1 16 16 THR HA H 16 4.320 4.320 4.697 -0.377 18255
932 1 3 . 1 1 16 16 THR C C 16 174.300 174.300 174.066 0.234 18255
933 1 3 . 1 1 16 16 THR CA C 16 61.900 61.900 61.168 0.732 18255
934 1 3 . 1 1 16 16 THR CB C 16 69.700 69.700 69.082 0.618 18255
935 1 3 . 1 1 16 16 THR H H 16 8.160 8.160 8.659 -0.499 18255
936 1 3 . 1 1 17 17 GLN N N 17 122.200 122.200 122.060 0.140 18255
937 1 3 . 1 1 17 17 GLN C C 17 175.800 175.800 175.617 0.183 18255
938 1 3 . 1 1 17 17 GLN CA C 17 55.900 55.900 56.610 -0.710 18255
939 1 3 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.126 1.474 18255
940 1 3 . 1 1 17 17 GLN H H 17 8.410 8.410 8.110 0.300 18255
941 1 3 . 1 1 18 18 GLY N N 18 110.100 110.100 112.590 -2.490 18255
942 1 3 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.067 0.533 18255
943 1 3 . 1 1 18 18 GLY H H 18 8.340 8.340 7.807 0.533 18255
944 1 3 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.471 -0.041 18255
945 1 3 . 1 1 19 19 PRO C C 19 177.500 177.500 176.380 1.120 18255
946 1 3 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.395 1.105 18255
947 1 3 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.521 -0.421 18255
948 1 3 . 1 1 20 20 GLY N N 20 109.600 109.600 107.740 1.860 18255
949 1 3 . 1 1 20 20 GLY C C 20 174.000 174.000 174.861 -0.861 18255
950 1 3 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.233 0.967 18255
951 1 3 . 1 1 20 20 GLY H H 20 8.620 8.620 8.380 0.240 18255
952 1 3 . 1 1 21 21 SER N N 21 115.300 115.300 120.803 -5.503 18255
953 1 3 . 1 1 21 21 SER HA H 21 4.460 4.460 4.289 0.171 18255
954 1 3 . 1 1 21 21 SER C C 21 174.700 174.700 175.133 -0.433 18255
955 1 3 . 1 1 21 21 SER CA C 21 58.400 58.400 60.723 -2.323 18255
956 1 3 . 1 1 21 21 SER CB C 21 64.000 64.000 63.165 0.835 18255
957 1 3 . 1 1 21 21 SER H H 21 8.240 8.240 8.877 -0.637 18255
958 1 3 . 1 1 22 22 MET N N 22 122.000 122.000 116.590 5.410 18255
959 1 3 . 1 1 22 22 MET HA H 22 4.530 4.530 4.778 -0.248 18255
960 1 3 . 1 1 22 22 MET C C 22 176.000 176.000 175.134 0.866 18255
961 1 3 . 1 1 22 22 MET CA C 22 55.700 55.700 54.022 1.679 18255
962 1 3 . 1 1 22 22 MET CB C 22 32.600 32.600 32.245 0.355 18255
963 1 3 . 1 1 22 22 MET H H 22 8.570 8.570 7.582 0.988 18255
964 1 3 . 1 1 23 23 ASP N N 23 120.600 120.600 122.388 -1.788 18255
965 1 3 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.827 -0.197 18255
966 1 3 . 1 1 23 23 ASP C C 23 175.700 175.700 175.316 0.384 18255
967 1 3 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.566 0.234 18255
968 1 3 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.840 -0.840 18255
969 1 3 . 1 1 23 23 ASP H H 23 8.330 8.330 7.601 0.729 18255
970 1 3 . 1 1 24 24 ASP N N 24 119.800 119.800 123.440 -3.640 18255
971 1 3 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.537 0.123 18255
972 1 3 . 1 1 24 24 ASP C C 24 175.800 175.800 176.086 -0.286 18255
973 1 3 . 1 1 24 24 ASP CA C 24 54.100 54.100 55.004 -0.904 18255
974 1 3 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.786 -0.486 18255
975 1 3 . 1 1 24 24 ASP H H 24 8.250 8.250 8.645 -0.395 18255
976 1 3 . 1 1 25 25 GLU N N 25 120.600 120.600 121.204 -0.604 18255
977 1 3 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.464 -0.244 18255
978 1 3 . 1 1 25 25 GLU C C 25 175.200 175.200 175.428 -0.228 18255
979 1 3 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.507 0.893 18255
980 1 3 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.291 1.209 18255
981 1 3 . 1 1 25 25 GLU H H 25 8.190 8.190 8.410 -0.220 18255
982 1 3 . 1 1 26 26 LEU N N 26 121.500 121.500 124.326 -2.826 18255
983 1 3 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.334 0.206 18255
984 1 3 . 1 1 26 26 LEU C C 26 175.200 175.200 176.665 -1.465 18255
985 1 3 . 1 1 26 26 LEU CA C 26 54.000 54.000 53.816 0.184 18255
986 1 3 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.333 1.367 18255
987 1 3 . 1 1 26 26 LEU H H 26 8.270 8.270 8.533 -0.263 18255
988 1 3 . 1 1 27 27 TYR N N 27 119.400 119.400 116.353 3.047 18255
989 1 3 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.063 -0.093 18255
990 1 3 . 1 1 27 27 TYR C C 27 173.100 173.100 175.192 -2.092 18255
991 1 3 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.054 -0.354 18255
992 1 3 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.024 1.876 18255
993 1 3 . 1 1 27 27 TYR H H 27 9.250 9.250 8.816 0.434 18255
994 1 3 . 1 1 28 28 PHE N N 28 114.700 114.700 119.585 -4.885 18255
995 1 3 . 1 1 28 28 PHE HA H 28 5.070 5.070 5.450 -0.380 18255
996 1 3 . 1 1 28 28 PHE C C 28 178.100 178.100 174.790 3.310 18255
997 1 3 . 1 1 28 28 PHE CA C 28 57.100 57.100 55.361 1.739 18255
998 1 3 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.327 -1.827 18255
999 1 3 . 1 1 28 28 PHE H H 28 9.510 9.510 9.361 0.149 18255
1000 1 3 . 1 1 29 29 VAL N N 29 121.100 121.100 122.127 -1.027 18255
1001 1 3 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.806 -0.326 18255
1002 1 3 . 1 1 29 29 VAL C C 29 175.200 175.200 175.370 -0.170 18255
1003 1 3 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.989 2.011 18255
1004 1 3 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.847 0.053 18255
1005 1 3 . 1 1 29 29 VAL H H 29 9.110 9.110 8.986 0.124 18255
1006 1 3 . 1 1 30 30 VAL N N 30 119.800 119.800 120.719 -0.919 18255
1007 1 3 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.555 -0.005 18255
1008 1 3 . 1 1 30 30 VAL C C 30 173.800 173.800 174.145 -0.345 18255
1009 1 3 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.597 -1.597 18255
1010 1 3 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.397 -0.297 18255
1011 1 3 . 1 1 30 30 VAL H H 30 8.890 8.890 9.241 -0.351 18255
1012 1 3 . 1 1 31 31 ARG N N 31 119.700 119.700 117.764 1.936 18255
1013 1 3 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.977 0.213 18255
1014 1 3 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.319 -1.819 18255
1015 1 3 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.410 0.690 18255
1016 1 3 . 1 1 31 31 ARG H H 31 8.980 8.980 9.184 -0.204 18255
1017 1 3 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.658 -0.418 18255
1018 1 3 . 1 1 32 32 ASN C C 32 176.600 176.600 174.728 1.872 18255
1019 1 3 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.880 -3.179 18255
1020 1 3 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.532 -3.832 18255
1021 1 3 . 1 1 33 33 ASN N N 33 114.800 114.800 119.038 -4.238 18255
1022 1 3 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.234 0.056 18255
1023 1 3 . 1 1 33 33 ASN C C 33 175.600 175.600 174.918 0.682 18255
1024 1 3 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.109 0.390 18255
1025 1 3 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.219 -0.419 18255
1026 1 3 . 1 1 33 33 ASN H H 33 7.760 7.760 8.753 -0.993 18255
1027 1 3 . 1 1 34 34 GLU N N 34 116.900 116.900 116.254 0.646 18255
1028 1 3 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.354 -0.044 18255
1029 1 3 . 1 1 34 34 GLU C C 34 176.200 176.200 177.155 -0.955 18255
1030 1 3 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.295 -0.396 18255
1031 1 3 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.031 -0.531 18255
1032 1 3 . 1 1 34 34 GLU H H 34 7.340 7.340 8.004 -0.664 18255
1033 1 3 . 1 1 35 35 GLY N N 35 107.000 107.000 108.120 -1.120 18255
1034 1 3 . 1 1 35 35 GLY C C 35 173.400 173.400 174.370 -0.970 18255
1035 1 3 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.713 -0.313 18255
1036 1 3 . 1 1 35 35 GLY H H 35 7.720 7.720 8.082 -0.363 18255
1037 1 3 . 1 1 36 36 GLN N N 36 117.700 117.700 119.839 -2.139 18255
1038 1 3 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.866 0.414 18255
1039 1 3 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.652 -1.152 18255
1040 1 3 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.281 0.219 18255
1041 1 3 . 1 1 36 36 GLN H H 36 7.570 7.570 7.863 -0.293 18255
1042 1 3 . 1 1 37 37 TYR C C 37 176.300 176.300 175.574 0.726 18255
1043 1 3 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.517 -0.017 18255
1044 1 3 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.638 2.162 18255
1045 1 3 . 1 1 38 38 SER N N 38 114.700 114.700 117.893 -3.193 18255
1046 1 3 . 1 1 38 38 SER HA H 38 5.770 5.770 5.031 0.739 18255
1047 1 3 . 1 1 38 38 SER C C 38 173.100 173.100 172.797 0.303 18255
1048 1 3 . 1 1 38 38 SER CA C 38 57.300 57.300 57.666 -0.366 18255
1049 1 3 . 1 1 38 38 SER CB C 38 64.400 64.400 65.975 -1.575 18255
1050 1 3 . 1 1 38 38 SER H H 38 9.230 9.230 8.955 0.275 18255
1051 1 3 . 1 1 39 39 VAL N N 39 114.000 114.000 116.746 -2.746 18255
1052 1 3 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.374 0.326 18255
1053 1 3 . 1 1 39 39 VAL C C 39 175.200 175.200 174.625 0.575 18255
1054 1 3 . 1 1 39 39 VAL CA C 39 59.900 59.900 59.967 -0.067 18255
1055 1 3 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.667 -0.867 18255
1056 1 3 . 1 1 39 39 VAL H H 39 8.430 8.430 8.520 -0.090 18255
1057 1 3 . 1 1 40 40 TRP N N 40 126.600 126.600 127.149 -0.549 18255
1058 1 3 . 1 1 40 40 TRP C C 40 174.000 174.000 173.602 0.398 18255
1059 1 3 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.388 0.112 18255
1060 1 3 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.010 2.690 18255
1061 1 3 . 1 1 40 40 TRP H H 40 9.590 9.590 9.206 0.384 18255
1062 1 3 . 1 1 41 41 MET N N 41 127.700 127.700 127.587 0.113 18255
1063 1 3 . 1 1 41 41 MET HA H 41 3.470 3.470 3.418 0.052 18255
1064 1 3 . 1 1 41 41 MET C C 41 175.000 175.000 173.995 1.005 18255
1065 1 3 . 1 1 41 41 MET CA C 41 56.900 56.900 54.874 2.026 18255
1066 1 3 . 1 1 41 41 MET CB C 41 33.800 33.800 33.007 0.793 18255
1067 1 3 . 1 1 41 41 MET H H 41 7.860 7.860 8.022 -0.162 18255
1068 1 3 . 1 1 42 42 ASP N N 42 123.400 123.400 126.876 -3.476 18255
1069 1 3 . 1 1 42 42 ASP HA H 42 4.520 4.520 3.603 0.917 18255
1070 1 3 . 1 1 42 42 ASP C C 42 176.800 176.800 177.001 -0.201 18255
1071 1 3 . 1 1 42 42 ASP CA C 42 55.500 55.500 54.825 0.675 18255
1072 1 3 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.606 -0.106 18255
1073 1 3 . 1 1 42 42 ASP H H 42 8.290 8.290 7.917 0.373 18255
1074 1 3 . 1 1 43 43 GLY N N 43 113.300 113.300 110.045 3.255 18255
1075 1 3 . 1 1 43 43 GLY C C 43 174.000 174.000 173.539 0.461 18255
1076 1 3 . 1 1 43 43 GLY CA C 43 45.300 45.300 44.975 0.325 18255
1077 1 3 . 1 1 43 43 GLY H H 43 8.350 8.350 8.516 -0.166 18255
1078 1 3 . 1 1 44 44 ARG N N 44 119.600 119.600 119.302 0.298 18255
1079 1 3 . 1 1 44 44 ARG C C 44 176.600 176.600 174.868 1.732 18255
1080 1 3 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.495 0.305 18255
1081 1 3 . 1 1 44 44 ARG CB C 44 31.500 31.500 32.130 -0.630 18255
1082 1 3 . 1 1 44 44 ARG H H 44 7.560 7.560 7.510 0.050 18255
1083 1 3 . 1 1 45 45 SER N N 45 121.000 121.000 116.095 4.905 18255
1084 1 3 . 1 1 45 45 SER HA H 45 4.310 4.310 4.798 -0.488 18255
1085 1 3 . 1 1 45 45 SER C C 45 174.300 174.300 174.433 -0.133 18255
1086 1 3 . 1 1 45 45 SER CA C 45 59.400 59.400 57.862 1.538 18255
1087 1 3 . 1 1 45 45 SER CB C 45 63.200 63.200 64.518 -1.318 18255
1088 1 3 . 1 1 45 45 SER H H 45 8.830 8.830 8.443 0.387 18255
1089 1 3 . 1 1 46 46 LEU N N 46 127.900 127.900 124.031 3.869 18255
1090 1 3 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.273 -0.423 18255
1091 1 3 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.298 0.702 18255
1092 1 3 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.005 0.195 18255
1093 1 3 . 1 1 46 46 LEU H H 46 8.610 8.610 8.426 0.184 18255
1094 1 3 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.305 -0.125 18255
1095 1 3 . 1 1 47 47 PRO C C 47 175.700 175.700 176.230 -0.530 18255
1096 1 3 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.968 -1.168 18255
1097 1 3 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.193 -1.093 18255
1098 1 3 . 1 1 48 48 ALA N N 48 123.600 123.600 126.587 -2.987 18255
1099 1 3 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.164 -0.064 18255
1100 1 3 . 1 1 48 48 ALA C C 48 178.800 178.800 178.394 0.406 18255
1101 1 3 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.916 -0.416 18255
1102 1 3 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.086 -0.886 18255
1103 1 3 . 1 1 48 48 ALA H H 48 8.260 8.260 8.210 0.050 18255
1104 1 3 . 1 1 49 49 GLY N N 49 110.200 110.200 111.682 -1.482 18255
1105 1 3 . 1 1 49 49 GLY C C 49 173.800 173.800 174.110 -0.310 18255
1106 1 3 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.450 0.650 18255
1107 1 3 . 1 1 49 49 GLY H H 49 8.720 8.720 8.383 0.337 18255
1108 1 3 . 1 1 50 50 TRP N N 50 119.900 119.900 121.417 -1.517 18255
1109 1 3 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.688 -0.018 18255
1110 1 3 . 1 1 50 50 TRP C C 50 174.900 174.900 175.797 -0.897 18255
1111 1 3 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.641 -1.441 18255
1112 1 3 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.618 -0.218 18255
1113 1 3 . 1 1 50 50 TRP H H 50 7.640 7.640 7.915 -0.275 18255
1114 1 3 . 1 1 51 51 GLU N N 51 118.200 118.200 119.152 -0.952 18255
1115 1 3 . 1 1 51 51 GLU C C 51 175.400 175.400 175.227 0.173 18255
1116 1 3 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.636 -0.336 18255
1117 1 3 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.872 0.728 18255
1118 1 3 . 1 1 51 51 GLU H H 51 8.650 8.650 9.145 -0.495 18255
1119 1 3 . 1 1 52 52 THR N N 52 112.200 112.200 112.418 -0.218 18255
1120 1 3 . 1 1 52 52 THR C C 52 174.800 174.800 174.440 0.360 18255
1121 1 3 . 1 1 52 52 THR CA C 52 62.000 62.000 60.359 1.641 18255
1122 1 3 . 1 1 52 52 THR CB C 52 70.000 70.000 70.332 -0.332 18255
1123 1 3 . 1 1 52 52 THR H H 52 8.450 8.450 8.159 0.291 18255
1124 1 3 . 1 1 53 53 VAL N N 53 122.300 122.300 115.037 7.263 18255
1125 1 3 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.410 -0.140 18255
1126 1 3 . 1 1 53 53 VAL C C 53 176.200 176.200 174.615 1.585 18255
1127 1 3 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.605 0.695 18255
1128 1 3 . 1 1 53 53 VAL CB C 53 33.000 33.000 33.991 -0.991 18255
1129 1 3 . 1 1 53 53 VAL H H 53 8.800 8.800 8.649 0.151 18255
1130 1 3 . 1 1 54 54 GLY N N 54 115.400 115.400 108.656 6.744 18255
1131 1 3 . 1 1 54 54 GLY C C 54 173.100 173.100 172.777 0.323 18255
1132 1 3 . 1 1 54 54 GLY CA C 54 44.900 44.900 46.104 -1.204 18255
1133 1 3 . 1 1 54 54 GLY H H 54 8.830 8.830 8.474 0.356 18255
1134 1 3 . 1 1 55 55 GLU N N 55 119.000 119.000 121.665 -2.665 18255
1135 1 3 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.889 -0.169 18255
1136 1 3 . 1 1 55 55 GLU CB C 55 29.600 29.600 32.790 -3.190 18255
1137 1 3 . 1 1 55 55 GLU H H 55 8.390 8.390 8.180 0.210 18255
1138 1 3 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.863 -0.443 18255
1139 1 3 . 1 1 56 56 PRO C C 56 176.200 176.200 175.681 0.519 18255
1140 1 3 . 1 1 56 56 PRO CA C 56 62.900 62.900 61.554 1.346 18255
1141 1 3 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.051 0.449 18255
1142 1 3 . 1 1 57 57 ALA N N 57 124.300 124.300 127.316 -3.016 18255
1143 1 3 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.541 0.089 18255
1144 1 3 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.744 0.556 18255
1145 1 3 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.714 0.486 18255
1146 1 3 . 1 1 57 57 ALA H H 57 9.580 9.580 8.647 0.933 18255
1147 1 3 . 1 1 58 58 THR N N 58 108.700 108.700 113.272 -4.572 18255
1148 1 3 . 1 1 58 58 THR C C 58 175.700 175.700 175.882 -0.182 18255
1149 1 3 . 1 1 58 58 THR CA C 58 62.200 62.200 62.664 -0.464 18255
1150 1 3 . 1 1 58 58 THR CB C 58 70.600 70.600 69.325 1.275 18255
1151 1 3 . 1 1 58 58 THR H H 58 8.070 8.070 8.590 -0.520 18255
1152 1 3 . 1 1 59 59 LYS N N 59 123.400 123.400 127.146 -3.746 18255
1153 1 3 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.369 -0.199 18255
1154 1 3 . 1 1 59 59 LYS C C 59 178.100 178.100 178.584 -0.484 18255
1155 1 3 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.098 2.202 18255
1156 1 3 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.931 -0.231 18255
1157 1 3 . 1 1 59 59 LYS H H 59 9.420 9.420 8.898 0.522 18255
1158 1 3 . 1 1 60 60 GLN N N 60 114.800 114.800 117.214 -2.414 18255
1159 1 3 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.937 -0.067 18255
1160 1 3 . 1 1 60 60 GLN C C 60 178.600 178.600 178.833 -0.233 18255
1161 1 3 . 1 1 60 60 GLN CA C 60 59.200 59.200 58.872 0.328 18255
1162 1 3 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.422 -0.322 18255
1163 1 3 . 1 1 60 60 GLN H H 60 8.610 8.610 7.698 0.912 18255
1164 1 3 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.111 -0.081 18255
1165 1 3 . 1 1 61 61 GLN C C 61 179.700 179.700 178.288 1.412 18255
1166 1 3 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.531 0.370 18255
1167 1 3 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.408 0.292 18255
1168 1 3 . 1 1 61 61 GLN H H 61 7.690 7.690 7.714 -0.024 18255
1169 1 3 . 1 1 62 62 CYS N N 62 118.800 118.800 118.101 0.699 18255
1170 1 3 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.148 -0.258 18255
1171 1 3 . 1 1 62 62 CYS C C 62 176.400 176.400 177.252 -0.852 18255
1172 1 3 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.250 0.550 18255
1173 1 3 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.476 -0.276 18255
1174 1 3 . 1 1 62 62 CYS H H 62 8.460 8.460 8.275 0.185 18255
1175 1 3 . 1 1 63 63 LEU N N 63 119.200 119.200 118.752 0.448 18255
1176 1 3 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.152 -0.262 18255
1177 1 3 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.243 -0.143 18255
1178 1 3 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.291 0.609 18255
1179 1 3 . 1 1 63 63 LEU H H 63 8.350 8.350 8.206 0.144 18255
1180 1 3 . 1 1 64 64 GLN N N 64 119.000 119.000 120.479 -1.479 18255
1181 1 3 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.076 -0.046 18255
1182 1 3 . 1 1 64 64 GLN C C 64 178.400 178.400 178.303 0.097 18255
1183 1 3 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.889 -0.289 18255
1184 1 3 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.562 -0.262 18255
1185 1 3 . 1 1 64 64 GLN H H 64 7.910 7.910 7.831 0.079 18255
1186 1 3 . 1 1 65 65 ARG N N 65 120.000 120.000 119.725 0.275 18255
1187 1 3 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.244 -0.244 18255
1188 1 3 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.254 0.046 18255
1189 1 3 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.296 -0.396 18255
1190 1 3 . 1 1 65 65 ARG H H 65 7.940 7.940 8.112 -0.172 18255
1191 1 3 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.925 -0.555 18255
1192 1 3 . 1 1 66 66 ILE C C 66 176.700 176.700 178.056 -1.356 18255
1193 1 3 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.320 1.180 18255
1194 1 3 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.860 0.040 18255
1195 1 3 . 1 1 67 67 GLU N N 67 118.400 118.400 121.594 -3.194 18255
1196 1 3 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.124 -0.174 18255
1197 1 3 . 1 1 67 67 GLU C C 67 178.600 178.600 179.095 -0.495 18255
1198 1 3 . 1 1 67 67 GLU CA C 67 59.300 59.300 59.137 0.163 18255
1199 1 3 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.364 -0.064 18255
1200 1 3 . 1 1 67 67 GLU H H 67 7.600 7.600 8.060 -0.460 18255
1201 1 3 . 1 1 68 68 GLN N N 68 116.400 116.400 116.355 0.045 18255
1202 1 3 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.254 -0.134 18255
1203 1 3 . 1 1 68 68 GLN C C 68 177.400 177.400 178.342 -0.942 18255
1204 1 3 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.967 0.633 18255
1205 1 3 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.352 0.248 18255
1206 1 3 . 1 1 68 68 GLN H H 68 7.620 7.620 8.314 -0.694 18255
1207 1 3 . 1 1 69 69 LEU N N 69 120.000 120.000 119.798 0.202 18255
1208 1 3 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.528 -0.438 18255
1209 1 3 . 1 1 69 69 LEU C C 69 176.600 176.600 177.578 -0.978 18255
1210 1 3 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.803 -0.003 18255
1211 1 3 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.656 -0.756 18255
1212 1 3 . 1 1 69 69 LEU H H 69 7.900 7.900 7.661 0.239 18255
1213 1 3 . 1 1 70 70 TRP N N 70 119.200 119.200 119.316 -0.116 18255
1214 1 3 . 1 1 70 70 TRP C C 70 177.100 177.100 177.932 -0.832 18255
1215 1 3 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.609 -1.609 18255
1216 1 3 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.429 -2.129 18255
1217 1 3 . 1 1 70 70 TRP H H 70 8.120 8.120 8.280 -0.160 18255
1218 1 3 . 1 1 71 71 THR N N 71 114.500 114.500 115.358 -0.858 18255
1219 1 3 . 1 1 71 71 THR HA H 71 4.160 4.160 3.832 0.328 18255
1220 1 3 . 1 1 71 71 THR C C 71 174.700 174.700 174.910 -0.210 18255
1221 1 3 . 1 1 71 71 THR CA C 71 63.700 63.700 64.906 -1.206 18255
1222 1 3 . 1 1 71 71 THR CB C 71 69.500 69.500 68.365 1.135 18255
1223 1 3 . 1 1 71 71 THR H H 71 7.960 7.960 7.742 0.218 18255
1224 1 3 . 1 1 72 72 ASP N N 72 120.700 120.700 120.760 -0.060 18255
1225 1 3 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.327 0.233 18255
1226 1 3 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.303 -1.303 18255
1227 1 3 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.880 -0.080 18255
1228 1 3 . 1 1 72 72 ASP H H 72 8.140 8.140 7.833 0.307 18255
1229 1 3 . 1 1 74 74 VAL N N 74 121.700 121.700 123.616 -1.916 18255
1230 1 3 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.282 0.058 18255
1231 1 3 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.492 0.608 18255
1232 1 3 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.465 -0.965 18255
1233 1 3 . 1 1 74 74 VAL H H 74 7.950 7.950 8.130 -0.180 18255
1234 1 3 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.450 -0.070 18255
1235 1 3 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.588 0.712 18255
1236 1 3 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.292 -0.092 18255
1237 1 3 . 1 1 76 76 ALA N N 76 124.200 124.200 120.998 3.202 18255
1238 1 3 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.012 0.128 18255
1239 1 3 . 1 1 76 76 ALA C C 76 178.400 178.400 179.434 -1.034 18255
1240 1 3 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.432 -0.632 18255
1241 1 3 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.357 0.343 18255
1242 1 3 . 1 1 76 76 ALA H H 76 8.600 8.600 8.496 0.104 18255
1243 1 3 . 1 1 77 77 SER N N 77 112.900 112.900 114.979 -2.079 18255
1244 1 3 . 1 1 77 77 SER HA H 77 4.340 4.340 4.143 0.197 18255
1245 1 3 . 1 1 77 77 SER C C 77 175.200 175.200 176.385 -1.185 18255
1246 1 3 . 1 1 77 77 SER CA C 77 59.200 59.200 61.238 -2.038 18255
1247 1 3 . 1 1 77 77 SER CB C 77 63.200 63.200 62.269 0.931 18255
1248 1 3 . 1 1 77 77 SER H H 77 8.310 8.310 7.928 0.382 18255
1249 1 3 . 1 1 78 78 VAL N N 78 121.700 121.700 122.804 -1.104 18255
1250 1 3 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.569 0.451 18255
1251 1 3 . 1 1 78 78 VAL C C 78 176.600 176.600 176.817 -0.217 18255
1252 1 3 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.822 -2.422 18255
1253 1 3 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.667 0.633 18255
1254 1 3 . 1 1 78 78 VAL H H 78 7.810 7.810 7.963 -0.153 18255
1255 1 3 . 1 1 79 79 ARG N N 79 121.900 121.900 117.931 3.969 18255
1256 1 3 . 1 1 79 79 ARG HA H 79 4.160 4.160 3.960 0.200 18255
1257 1 3 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.584 -1.284 18255
1258 1 3 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.400 1.100 18255
1259 1 3 . 1 1 79 79 ARG H H 79 8.100 8.100 7.860 0.240 18255
1260 1 3 . 1 1 80 80 GLU N N 80 119.600 119.600 119.311 0.289 18255
1261 1 3 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.467 0.533 18255
1262 1 3 . 1 1 80 80 GLU H H 80 8.260 8.260 7.623 0.637 18255
1263 1 3 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.465 0.085 18255
1264 1 3 . 1 1 81 81 HIS C C 81 175.600 175.600 177.504 -1.904 18255
1265 1 3 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.346 -2.146 18255
1266 1 3 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.009 0.392 18255
1267 1 3 . 1 1 82 82 LEU N N 82 121.500 121.500 119.061 2.439 18255
1268 1 3 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.023 0.237 18255
1269 1 3 . 1 1 82 82 LEU C C 82 177.200 177.200 177.386 -0.186 18255
1270 1 3 . 1 1 82 82 LEU CA C 82 55.600 55.600 57.331 -1.731 18255
1271 1 3 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.453 -0.353 18255
1272 1 3 . 1 1 82 82 LEU H H 82 8.120 8.120 7.711 0.409 18255
1273 1 3 . 1 1 83 83 ASN N N 83 118.300 118.300 115.464 2.836 18255
1274 1 3 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.791 -0.151 18255
1275 1 3 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.847 0.653 18255
1276 1 3 . 1 1 83 83 ASN CB C 83 38.600 38.600 40.526 -1.926 18255
1277 1 3 . 1 1 83 83 ASN H H 83 8.400 8.400 7.678 0.721 18255
1278 1 3 . 1 1 85 85 HIS C C 85 174.900 174.900 175.143 -0.243 18255
1279 1 3 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.591 1.709 18255
1280 1 3 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.501 0.099 18255
1281 1 3 . 1 1 86 86 SER N N 86 116.700 116.700 115.432 1.268 18255
1282 1 3 . 1 1 86 86 SER C C 86 174.100 174.100 174.018 0.082 18255
1283 1 3 . 1 1 86 86 SER CA C 86 58.400 58.400 58.739 -0.339 18255
1284 1 3 . 1 1 86 86 SER CB C 86 64.300 64.300 61.944 2.356 18255
1285 1 3 . 1 1 86 86 SER H H 86 8.220 8.220 8.676 -0.456 18255
1286 1 3 . 1 1 87 87 GLY N N 87 110.400 110.400 112.477 -2.077 18255
1287 1 3 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.888 -0.388 18255
1288 1 3 . 1 1 87 87 GLY H H 87 8.310 8.310 7.637 0.673 18255
1289 1 3 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.654 -0.284 18255
1290 1 3 . 1 1 88 88 PRO C C 88 177.400 177.400 176.023 1.377 18255
1291 1 3 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.642 0.558 18255
1292 1 3 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.864 -0.863 18255
1293 1 3 . 1 1 89 89 GLY N N 89 109.300 109.300 106.680 2.620 18255
1294 1 3 . 1 1 89 89 GLY C C 89 173.800 173.800 173.470 0.330 18255
1295 1 3 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.434 0.767 18255
1296 1 3 . 1 1 89 89 GLY H H 89 8.500 8.500 7.982 0.518 18255
1297 1 3 . 1 1 90 90 ILE N N 90 119.600 119.600 120.947 -1.347 18255
1298 1 3 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.968 0.112 18255
1299 1 3 . 1 1 90 90 ILE C C 90 175.400 175.400 175.072 0.328 18255
1300 1 3 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.799 -0.799 18255
1301 1 3 . 1 1 90 90 ILE CB C 90 38.900 38.900 36.493 2.407 18255
1302 1 3 . 1 1 90 90 ILE H H 90 7.910 7.910 8.308 -0.398 18255
1303 1 3 . 1 1 91 91 ASP N N 91 123.400 123.400 126.986 -3.586 18255
1304 1 3 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.700 -0.130 18255
1305 1 3 . 1 1 91 91 ASP C C 91 175.700 175.700 175.276 0.424 18255
1306 1 3 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.094 0.806 18255
1307 1 3 . 1 1 91 91 ASP CB C 91 41.100 41.100 42.980 -1.880 18255
1308 1 3 . 1 1 91 91 ASP H H 91 8.350 8.350 8.169 0.181 18255
1309 1 3 . 1 1 92 92 TYR N N 92 120.800 120.800 120.500 0.300 18255
1310 1 3 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.659 -0.199 18255
1311 1 3 . 1 1 92 92 TYR C C 92 175.200 175.200 173.742 1.458 18255
1312 1 3 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.751 0.249 18255
1313 1 3 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.459 0.140 18255
1314 1 3 . 1 1 92 92 TYR H H 92 8.050 8.050 8.526 -0.476 18255
1315 1 3 . 1 1 93 93 ALA N N 93 124.700 124.700 128.669 -3.969 18255
1316 1 3 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.359 -0.059 18255
1317 1 3 . 1 1 93 93 ALA C C 93 177.100 177.100 175.323 1.777 18255
1318 1 3 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.162 2.238 18255
1319 1 3 . 1 1 93 93 ALA CB C 93 19.300 19.300 21.517 -2.217 18255
1320 1 3 . 1 1 93 93 ALA H H 93 8.170 8.170 7.808 0.362 18255
1321 1 3 . 1 1 94 94 VAL N N 94 119.400 119.400 118.817 0.583 18255
1322 1 3 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.901 0.149 18255
1323 1 3 . 1 1 94 94 VAL C C 94 175.100 175.100 175.840 -0.740 18255
1324 1 3 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.073 0.327 18255
1325 1 3 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.669 -0.368 18255
1326 1 3 . 1 1 94 94 VAL H H 94 8.000 8.000 8.153 -0.153 18255
1327 1 4 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.721 -0.761 18255
1328 1 4 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.327 -0.627 18255
1329 1 4 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.408 0.292 18255
1330 1 4 . 1 1 8 8 HIS C C 8 175.200 175.200 172.681 2.519 18255
1331 1 4 . 1 1 8 8 HIS CA C 8 56.600 56.600 54.701 1.899 18255
1332 1 4 . 1 1 8 8 HIS CB C 8 30.800 30.800 31.451 -0.651 18255
1333 1 4 . 1 1 9 9 MET N N 9 121.800 121.800 126.321 -4.521 18255
1334 1 4 . 1 1 9 9 MET C C 9 176.400 176.400 173.419 2.981 18255
1335 1 4 . 1 1 9 9 MET CA C 9 55.800 55.800 55.244 0.556 18255
1336 1 4 . 1 1 9 9 MET CB C 9 32.800 32.800 34.652 -1.852 18255
1337 1 4 . 1 1 9 9 MET H H 9 8.470 8.470 8.189 0.281 18255
1338 1 4 . 1 1 10 10 GLY N N 10 109.800 109.800 113.264 -3.464 18255
1339 1 4 . 1 1 10 10 GLY C C 10 174.100 174.100 173.135 0.965 18255
1340 1 4 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.070 0.230 18255
1341 1 4 . 1 1 10 10 GLY H H 10 8.490 8.490 8.307 0.183 18255
1342 1 4 . 1 1 11 11 THR N N 11 113.600 113.600 110.454 3.146 18255
1343 1 4 . 1 1 11 11 THR HA H 11 3.710 3.710 4.007 -0.297 18255
1344 1 4 . 1 1 11 11 THR C C 11 174.600 174.600 172.691 1.909 18255
1345 1 4 . 1 1 11 11 THR CA C 11 62.400 62.400 62.438 -0.038 18255
1346 1 4 . 1 1 11 11 THR CB C 11 70.100 70.100 69.159 0.941 18255
1347 1 4 . 1 1 11 11 THR H H 11 8.100 8.100 8.130 -0.030 18255
1348 1 4 . 1 1 12 12 LEU N N 12 123.900 123.900 121.743 2.157 18255
1349 1 4 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.505 -0.205 18255
1350 1 4 . 1 1 12 12 LEU C C 12 177.400 177.400 176.762 0.638 18255
1351 1 4 . 1 1 12 12 LEU CA C 12 55.600 55.600 53.160 2.440 18255
1352 1 4 . 1 1 12 12 LEU CB C 12 42.100 42.100 44.146 -2.046 18255
1353 1 4 . 1 1 12 12 LEU H H 12 8.350 8.350 8.149 0.201 18255
1354 1 4 . 1 1 13 13 GLU N N 13 121.300 121.300 115.217 6.083 18255
1355 1 4 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.037 0.153 18255
1356 1 4 . 1 1 13 13 GLU C C 13 176.200 176.200 175.145 1.055 18255
1357 1 4 . 1 1 13 13 GLU CA C 13 56.900 56.900 57.654 -0.754 18255
1358 1 4 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.544 1.456 18255
1359 1 4 . 1 1 13 13 GLU H H 13 8.420 8.420 8.573 -0.153 18255
1360 1 4 . 1 1 14 14 ALA N N 14 124.100 124.100 121.853 2.247 18255
1361 1 4 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.313 -0.053 18255
1362 1 4 . 1 1 14 14 ALA C C 14 177.700 177.700 176.486 1.214 18255
1363 1 4 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.499 0.201 18255
1364 1 4 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.210 -0.110 18255
1365 1 4 . 1 1 14 14 ALA H H 14 8.260 8.260 7.696 0.564 18255
1366 1 4 . 1 1 15 15 GLN N N 15 119.100 119.100 120.577 -1.477 18255
1367 1 4 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.439 -0.079 18255
1368 1 4 . 1 1 15 15 GLN C C 15 176.200 176.200 174.804 1.396 18255
1369 1 4 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.653 0.247 18255
1370 1 4 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.484 -1.184 18255
1371 1 4 . 1 1 15 15 GLN H H 15 8.340 8.340 8.149 0.191 18255
1372 1 4 . 1 1 16 16 THR N N 16 114.600 114.600 110.562 4.038 18255
1373 1 4 . 1 1 16 16 THR HA H 16 4.320 4.320 4.448 -0.128 18255
1374 1 4 . 1 1 16 16 THR C C 16 174.300 174.300 175.068 -0.768 18255
1375 1 4 . 1 1 16 16 THR CA C 16 61.900 61.900 62.013 -0.113 18255
1376 1 4 . 1 1 16 16 THR CB C 16 69.700 69.700 70.368 -0.668 18255
1377 1 4 . 1 1 16 16 THR H H 16 8.160 8.160 9.397 -1.237 18255
1378 1 4 . 1 1 17 17 GLN N N 17 122.200 122.200 121.635 0.565 18255
1379 1 4 . 1 1 17 17 GLN C C 17 175.800 175.800 175.034 0.766 18255
1380 1 4 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.597 1.303 18255
1381 1 4 . 1 1 17 17 GLN CB C 17 29.600 29.600 32.123 -2.523 18255
1382 1 4 . 1 1 17 17 GLN H H 17 8.410 8.410 8.055 0.355 18255
1383 1 4 . 1 1 18 18 GLY N N 18 110.100 110.100 110.383 -0.283 18255
1384 1 4 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.105 0.494 18255
1385 1 4 . 1 1 18 18 GLY H H 18 8.340 8.340 8.521 -0.181 18255
1386 1 4 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.285 0.145 18255
1387 1 4 . 1 1 19 19 PRO C C 19 177.500 177.500 176.412 1.088 18255
1388 1 4 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.053 0.447 18255
1389 1 4 . 1 1 19 19 PRO CB C 19 32.100 32.100 30.674 1.426 18255
1390 1 4 . 1 1 20 20 GLY N N 20 109.600 109.600 112.374 -2.774 18255
1391 1 4 . 1 1 20 20 GLY C C 20 174.000 174.000 173.528 0.472 18255
1392 1 4 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.173 0.027 18255
1393 1 4 . 1 1 20 20 GLY H H 20 8.620 8.620 8.591 0.029 18255
1394 1 4 . 1 1 21 21 SER N N 21 115.300 115.300 114.990 0.310 18255
1395 1 4 . 1 1 21 21 SER HA H 21 4.460 4.460 4.621 -0.161 18255
1396 1 4 . 1 1 21 21 SER C C 21 174.700 174.700 173.379 1.321 18255
1397 1 4 . 1 1 21 21 SER CA C 21 58.400 58.400 57.452 0.948 18255
1398 1 4 . 1 1 21 21 SER CB C 21 64.000 64.000 65.469 -1.468 18255
1399 1 4 . 1 1 21 21 SER H H 21 8.240 8.240 7.562 0.678 18255
1400 1 4 . 1 1 22 22 MET N N 22 122.000 122.000 122.385 -0.385 18255
1401 1 4 . 1 1 22 22 MET HA H 22 4.530 4.530 4.586 -0.056 18255
1402 1 4 . 1 1 22 22 MET C C 22 176.000 176.000 175.451 0.549 18255
1403 1 4 . 1 1 22 22 MET CA C 22 55.700 55.700 55.478 0.222 18255
1404 1 4 . 1 1 22 22 MET CB C 22 32.600 32.600 32.598 0.002 18255
1405 1 4 . 1 1 22 22 MET H H 22 8.570 8.570 8.378 0.192 18255
1406 1 4 . 1 1 23 23 ASP N N 23 120.600 120.600 125.349 -4.749 18255
1407 1 4 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.896 -0.266 18255
1408 1 4 . 1 1 23 23 ASP C C 23 175.700 175.700 174.940 0.760 18255
1409 1 4 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.271 1.529 18255
1410 1 4 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.176 -1.176 18255
1411 1 4 . 1 1 23 23 ASP H H 23 8.330 8.330 8.337 -0.007 18255
1412 1 4 . 1 1 24 24 ASP N N 24 119.800 119.800 118.480 1.320 18255
1413 1 4 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.601 0.058 18255
1414 1 4 . 1 1 24 24 ASP C C 24 175.800 175.800 175.331 0.469 18255
1415 1 4 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.522 -0.422 18255
1416 1 4 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.708 -0.408 18255
1417 1 4 . 1 1 24 24 ASP H H 24 8.250 8.250 8.410 -0.160 18255
1418 1 4 . 1 1 25 25 GLU N N 25 120.600 120.600 121.807 -1.207 18255
1419 1 4 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.556 -0.336 18255
1420 1 4 . 1 1 25 25 GLU C C 25 175.200 175.200 175.791 -0.591 18255
1421 1 4 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.605 0.795 18255
1422 1 4 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.856 -0.356 18255
1423 1 4 . 1 1 25 25 GLU H H 25 8.190 8.190 8.217 -0.027 18255
1424 1 4 . 1 1 26 26 LEU N N 26 121.500 121.500 120.206 1.294 18255
1425 1 4 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.360 0.180 18255
1426 1 4 . 1 1 26 26 LEU C C 26 175.200 175.200 176.257 -1.057 18255
1427 1 4 . 1 1 26 26 LEU CA C 26 54.000 54.000 53.973 0.027 18255
1428 1 4 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.439 1.261 18255
1429 1 4 . 1 1 26 26 LEU H H 26 8.270 8.270 8.281 -0.011 18255
1430 1 4 . 1 1 27 27 TYR N N 27 119.400 119.400 116.859 2.541 18255
1431 1 4 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.096 -0.126 18255
1432 1 4 . 1 1 27 27 TYR C C 27 173.100 173.100 174.964 -1.864 18255
1433 1 4 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.064 -0.364 18255
1434 1 4 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.914 0.986 18255
1435 1 4 . 1 1 27 27 TYR H H 27 9.250 9.250 8.817 0.433 18255
1436 1 4 . 1 1 28 28 PHE N N 28 114.700 114.700 119.116 -4.416 18255
1437 1 4 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.972 0.098 18255
1438 1 4 . 1 1 28 28 PHE C C 28 178.100 178.100 174.838 3.262 18255
1439 1 4 . 1 1 28 28 PHE CA C 28 57.100 57.100 55.766 1.334 18255
1440 1 4 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.084 -1.584 18255
1441 1 4 . 1 1 28 28 PHE H H 28 9.510 9.510 9.225 0.285 18255
1442 1 4 . 1 1 29 29 VAL N N 29 121.100 121.100 120.249 0.851 18255
1443 1 4 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.703 -0.223 18255
1444 1 4 . 1 1 29 29 VAL C C 29 175.200 175.200 174.992 0.208 18255
1445 1 4 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.126 1.874 18255
1446 1 4 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.852 -0.952 18255
1447 1 4 . 1 1 29 29 VAL H H 29 9.110 9.110 8.815 0.295 18255
1448 1 4 . 1 1 30 30 VAL N N 30 119.800 119.800 118.470 1.330 18255
1449 1 4 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.547 0.003 18255
1450 1 4 . 1 1 30 30 VAL C C 30 173.800 173.800 173.996 -0.196 18255
1451 1 4 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.974 -0.974 18255
1452 1 4 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.108 -0.008 18255
1453 1 4 . 1 1 30 30 VAL H H 30 8.890 8.890 9.243 -0.353 18255
1454 1 4 . 1 1 31 31 ARG N N 31 119.700 119.700 118.913 0.787 18255
1455 1 4 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.919 0.271 18255
1456 1 4 . 1 1 31 31 ARG CA C 31 53.500 53.500 54.442 -0.942 18255
1457 1 4 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.889 0.211 18255
1458 1 4 . 1 1 31 31 ARG H H 31 8.980 8.980 9.034 -0.054 18255
1459 1 4 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.725 -0.485 18255
1460 1 4 . 1 1 32 32 ASN C C 32 176.600 176.600 175.009 1.591 18255
1461 1 4 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.803 -3.103 18255
1462 1 4 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.906 -4.206 18255
1463 1 4 . 1 1 33 33 ASN N N 33 114.800 114.800 118.554 -3.754 18255
1464 1 4 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.275 0.015 18255
1465 1 4 . 1 1 33 33 ASN C C 33 175.600 175.600 175.303 0.297 18255
1466 1 4 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.347 0.153 18255
1467 1 4 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.784 0.016 18255
1468 1 4 . 1 1 33 33 ASN H H 33 7.760 7.760 8.915 -1.155 18255
1469 1 4 . 1 1 34 34 GLU N N 34 116.900 116.900 116.359 0.541 18255
1470 1 4 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.392 -0.082 18255
1471 1 4 . 1 1 34 34 GLU C C 34 176.200 176.200 177.341 -1.141 18255
1472 1 4 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.338 -0.438 18255
1473 1 4 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.820 -0.320 18255
1474 1 4 . 1 1 34 34 GLU H H 34 7.340 7.340 7.976 -0.636 18255
1475 1 4 . 1 1 35 35 GLY N N 35 107.000 107.000 108.814 -1.814 18255
1476 1 4 . 1 1 35 35 GLY C C 35 173.400 173.400 173.596 -0.196 18255
1477 1 4 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.430 -0.030 18255
1478 1 4 . 1 1 35 35 GLY H H 35 7.720 7.720 8.237 -0.517 18255
1479 1 4 . 1 1 36 36 GLN N N 36 117.700 117.700 117.300 0.400 18255
1480 1 4 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.183 0.097 18255
1481 1 4 . 1 1 36 36 GLN CA C 36 54.500 54.500 53.843 0.657 18255
1482 1 4 . 1 1 36 36 GLN CB C 36 29.500 29.500 31.963 -2.463 18255
1483 1 4 . 1 1 36 36 GLN H H 36 7.570 7.570 7.432 0.138 18255
1484 1 4 . 1 1 37 37 TYR C C 37 176.300 176.300 175.056 1.244 18255
1485 1 4 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.415 0.085 18255
1486 1 4 . 1 1 37 37 TYR CB C 37 42.800 42.800 41.225 1.575 18255
1487 1 4 . 1 1 38 38 SER N N 38 114.700 114.700 115.420 -0.720 18255
1488 1 4 . 1 1 38 38 SER HA H 38 5.770 5.770 4.921 0.849 18255
1489 1 4 . 1 1 38 38 SER C C 38 173.100 173.100 173.114 -0.014 18255
1490 1 4 . 1 1 38 38 SER CA C 38 57.300 57.300 57.028 0.272 18255
1491 1 4 . 1 1 38 38 SER CB C 38 64.400 64.400 67.074 -2.674 18255
1492 1 4 . 1 1 38 38 SER H H 38 9.230 9.230 8.948 0.282 18255
1493 1 4 . 1 1 39 39 VAL N N 39 114.000 114.000 115.781 -1.781 18255
1494 1 4 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.260 0.440 18255
1495 1 4 . 1 1 39 39 VAL C C 39 175.200 175.200 174.677 0.523 18255
1496 1 4 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.403 -0.503 18255
1497 1 4 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.943 -1.143 18255
1498 1 4 . 1 1 39 39 VAL H H 39 8.430 8.430 8.520 -0.090 18255
1499 1 4 . 1 1 40 40 TRP N N 40 126.600 126.600 125.081 1.519 18255
1500 1 4 . 1 1 40 40 TRP C C 40 174.000 174.000 173.955 0.045 18255
1501 1 4 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.051 0.449 18255
1502 1 4 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.839 1.861 18255
1503 1 4 . 1 1 40 40 TRP H H 40 9.590 9.590 9.399 0.191 18255
1504 1 4 . 1 1 41 41 MET N N 41 127.700 127.700 123.404 4.296 18255
1505 1 4 . 1 1 41 41 MET HA H 41 3.470 3.470 3.897 -0.427 18255
1506 1 4 . 1 1 41 41 MET C C 41 175.000 175.000 175.656 -0.656 18255
1507 1 4 . 1 1 41 41 MET CA C 41 56.900 56.900 55.013 1.887 18255
1508 1 4 . 1 1 41 41 MET CB C 41 33.800 33.800 34.404 -0.604 18255
1509 1 4 . 1 1 41 41 MET H H 41 7.860 7.860 7.724 0.136 18255
1510 1 4 . 1 1 42 42 ASP N N 42 123.400 123.400 123.670 -0.270 18255
1511 1 4 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.563 -0.043 18255
1512 1 4 . 1 1 42 42 ASP C C 42 176.800 176.800 177.052 -0.252 18255
1513 1 4 . 1 1 42 42 ASP CA C 42 55.500 55.500 54.974 0.526 18255
1514 1 4 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.759 -0.259 18255
1515 1 4 . 1 1 42 42 ASP H H 42 8.290 8.290 8.156 0.134 18255
1516 1 4 . 1 1 43 43 GLY N N 43 113.300 113.300 108.384 4.916 18255
1517 1 4 . 1 1 43 43 GLY C C 43 174.000 174.000 174.064 -0.064 18255
1518 1 4 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.651 -0.351 18255
1519 1 4 . 1 1 43 43 GLY H H 43 8.350 8.350 8.693 -0.343 18255
1520 1 4 . 1 1 44 44 ARG N N 44 119.600 119.600 121.260 -1.660 18255
1521 1 4 . 1 1 44 44 ARG C C 44 176.600 176.600 175.946 0.654 18255
1522 1 4 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.954 -0.154 18255
1523 1 4 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.688 -0.188 18255
1524 1 4 . 1 1 44 44 ARG H H 44 7.560 7.560 7.744 -0.183 18255
1525 1 4 . 1 1 45 45 SER N N 45 121.000 121.000 122.272 -1.272 18255
1526 1 4 . 1 1 45 45 SER HA H 45 4.310 4.310 4.441 -0.131 18255
1527 1 4 . 1 1 45 45 SER C C 45 174.300 174.300 173.913 0.387 18255
1528 1 4 . 1 1 45 45 SER CA C 45 59.400 59.400 58.850 0.550 18255
1529 1 4 . 1 1 45 45 SER CB C 45 63.200 63.200 63.913 -0.714 18255
1530 1 4 . 1 1 45 45 SER H H 45 8.830 8.830 8.771 0.059 18255
1531 1 4 . 1 1 46 46 LEU N N 46 127.900 127.900 123.933 3.967 18255
1532 1 4 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.354 -0.504 18255
1533 1 4 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.967 1.033 18255
1534 1 4 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.853 -0.653 18255
1535 1 4 . 1 1 46 46 LEU H H 46 8.610 8.610 8.277 0.333 18255
1536 1 4 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.485 -0.305 18255
1537 1 4 . 1 1 47 47 PRO C C 47 175.700 175.700 175.911 -0.211 18255
1538 1 4 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.127 -0.327 18255
1539 1 4 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.216 -1.116 18255
1540 1 4 . 1 1 48 48 ALA N N 48 123.600 123.600 123.149 0.451 18255
1541 1 4 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.057 0.043 18255
1542 1 4 . 1 1 48 48 ALA C C 48 178.800 178.800 178.567 0.233 18255
1543 1 4 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.722 -0.222 18255
1544 1 4 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.959 -0.759 18255
1545 1 4 . 1 1 48 48 ALA H H 48 8.260 8.260 8.212 0.048 18255
1546 1 4 . 1 1 49 49 GLY N N 49 110.200 110.200 111.813 -1.613 18255
1547 1 4 . 1 1 49 49 GLY C C 49 173.800 173.800 173.999 -0.199 18255
1548 1 4 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.895 0.205 18255
1549 1 4 . 1 1 49 49 GLY H H 49 8.720 8.720 8.331 0.389 18255
1550 1 4 . 1 1 50 50 TRP N N 50 119.900 119.900 122.936 -3.036 18255
1551 1 4 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.737 -0.067 18255
1552 1 4 . 1 1 50 50 TRP C C 50 174.900 174.900 175.937 -1.037 18255
1553 1 4 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.664 -1.464 18255
1554 1 4 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.989 0.411 18255
1555 1 4 . 1 1 50 50 TRP H H 50 7.640 7.640 7.955 -0.315 18255
1556 1 4 . 1 1 51 51 GLU N N 51 118.200 118.200 121.831 -3.631 18255
1557 1 4 . 1 1 51 51 GLU C C 51 175.400 175.400 175.266 0.134 18255
1558 1 4 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.495 -0.195 18255
1559 1 4 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.718 0.882 18255
1560 1 4 . 1 1 51 51 GLU H H 51 8.650 8.650 8.895 -0.245 18255
1561 1 4 . 1 1 52 52 THR N N 52 112.200 112.200 113.001 -0.801 18255
1562 1 4 . 1 1 52 52 THR C C 52 174.800 174.800 174.182 0.618 18255
1563 1 4 . 1 1 52 52 THR CA C 52 62.000 62.000 59.980 2.020 18255
1564 1 4 . 1 1 52 52 THR CB C 52 70.000 70.000 70.444 -0.444 18255
1565 1 4 . 1 1 52 52 THR H H 52 8.450 8.450 8.401 0.049 18255
1566 1 4 . 1 1 53 53 VAL N N 53 122.300 122.300 114.650 7.650 18255
1567 1 4 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.339 -0.069 18255
1568 1 4 . 1 1 53 53 VAL C C 53 176.200 176.200 174.656 1.544 18255
1569 1 4 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.280 0.020 18255
1570 1 4 . 1 1 53 53 VAL CB C 53 33.000 33.000 35.344 -2.344 18255
1571 1 4 . 1 1 53 53 VAL H H 53 8.800 8.800 8.778 0.022 18255
1572 1 4 . 1 1 54 54 GLY N N 54 115.400 115.400 110.212 5.188 18255
1573 1 4 . 1 1 54 54 GLY C C 54 173.100 173.100 173.166 -0.066 18255
1574 1 4 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.762 0.138 18255
1575 1 4 . 1 1 54 54 GLY H H 54 8.830 8.830 8.462 0.368 18255
1576 1 4 . 1 1 55 55 GLU N N 55 119.000 119.000 119.816 -0.816 18255
1577 1 4 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.948 -0.228 18255
1578 1 4 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.507 -0.907 18255
1579 1 4 . 1 1 55 55 GLU H H 55 8.390 8.390 8.474 -0.084 18255
1580 1 4 . 1 1 56 56 PRO HA H 56 4.420 4.420 3.968 0.452 18255
1581 1 4 . 1 1 56 56 PRO C C 56 176.200 176.200 175.598 0.602 18255
1582 1 4 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.411 0.489 18255
1583 1 4 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.730 0.770 18255
1584 1 4 . 1 1 57 57 ALA N N 57 124.300 124.300 128.701 -4.401 18255
1585 1 4 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.636 -0.006 18255
1586 1 4 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.613 0.687 18255
1587 1 4 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.592 0.608 18255
1588 1 4 . 1 1 57 57 ALA H H 57 9.580 9.580 8.474 1.106 18255
1589 1 4 . 1 1 58 58 THR N N 58 108.700 108.700 113.180 -4.480 18255
1590 1 4 . 1 1 58 58 THR C C 58 175.700 175.700 176.183 -0.483 18255
1591 1 4 . 1 1 58 58 THR CA C 58 62.200 62.200 62.539 -0.339 18255
1592 1 4 . 1 1 58 58 THR CB C 58 70.600 70.600 70.077 0.523 18255
1593 1 4 . 1 1 58 58 THR H H 58 8.070 8.070 8.184 -0.114 18255
1594 1 4 . 1 1 59 59 LYS N N 59 123.400 123.400 126.980 -3.580 18255
1595 1 4 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.488 -0.318 18255
1596 1 4 . 1 1 59 59 LYS C C 59 178.100 178.100 178.488 -0.388 18255
1597 1 4 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.659 1.641 18255
1598 1 4 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.896 -0.196 18255
1599 1 4 . 1 1 59 59 LYS H H 59 9.420 9.420 9.052 0.368 18255
1600 1 4 . 1 1 60 60 GLN N N 60 114.800 114.800 117.123 -2.323 18255
1601 1 4 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.926 -0.056 18255
1602 1 4 . 1 1 60 60 GLN C C 60 178.600 178.600 179.055 -0.455 18255
1603 1 4 . 1 1 60 60 GLN CA C 60 59.200 59.200 58.908 0.292 18255
1604 1 4 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.041 0.059 18255
1605 1 4 . 1 1 60 60 GLN H H 60 8.610 8.610 7.805 0.805 18255
1606 1 4 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.124 -0.094 18255
1607 1 4 . 1 1 61 61 GLN C C 61 179.700 179.700 178.306 1.394 18255
1608 1 4 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.423 0.477 18255
1609 1 4 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.517 0.183 18255
1610 1 4 . 1 1 61 61 GLN H H 61 7.690 7.690 7.835 -0.145 18255
1611 1 4 . 1 1 62 62 CYS N N 62 118.800 118.800 119.979 -1.179 18255
1612 1 4 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.127 -0.237 18255
1613 1 4 . 1 1 62 62 CYS C C 62 176.400 176.400 176.785 -0.385 18255
1614 1 4 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.956 0.844 18255
1615 1 4 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.693 -0.493 18255
1616 1 4 . 1 1 62 62 CYS H H 62 8.460 8.460 8.187 0.273 18255
1617 1 4 . 1 1 63 63 LEU N N 63 119.200 119.200 118.766 0.434 18255
1618 1 4 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.092 -0.202 18255
1619 1 4 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.212 -0.112 18255
1620 1 4 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.497 0.403 18255
1621 1 4 . 1 1 63 63 LEU H H 63 8.350 8.350 8.297 0.053 18255
1622 1 4 . 1 1 64 64 GLN N N 64 119.000 119.000 119.750 -0.750 18255
1623 1 4 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.896 0.134 18255
1624 1 4 . 1 1 64 64 GLN C C 64 178.400 178.400 178.293 0.107 18255
1625 1 4 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.137 -0.537 18255
1626 1 4 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.494 -0.194 18255
1627 1 4 . 1 1 64 64 GLN H H 64 7.910 7.910 7.766 0.144 18255
1628 1 4 . 1 1 65 65 ARG N N 65 120.000 120.000 119.876 0.124 18255
1629 1 4 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.322 -0.322 18255
1630 1 4 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.114 0.186 18255
1631 1 4 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.285 -0.385 18255
1632 1 4 . 1 1 65 65 ARG H H 65 7.940 7.940 8.029 -0.089 18255
1633 1 4 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.747 -0.377 18255
1634 1 4 . 1 1 66 66 ILE C C 66 176.700 176.700 177.365 -0.665 18255
1635 1 4 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.890 0.610 18255
1636 1 4 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.628 0.272 18255
1637 1 4 . 1 1 67 67 GLU N N 67 118.400 118.400 120.325 -1.925 18255
1638 1 4 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.174 -0.224 18255
1639 1 4 . 1 1 67 67 GLU C C 67 178.600 178.600 179.037 -0.437 18255
1640 1 4 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.385 0.915 18255
1641 1 4 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.032 0.268 18255
1642 1 4 . 1 1 67 67 GLU H H 67 7.600 7.600 8.093 -0.493 18255
1643 1 4 . 1 1 68 68 GLN N N 68 116.400 116.400 115.599 0.801 18255
1644 1 4 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.285 -0.165 18255
1645 1 4 . 1 1 68 68 GLN C C 68 177.400 177.400 176.981 0.419 18255
1646 1 4 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.577 1.023 18255
1647 1 4 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.452 0.148 18255
1648 1 4 . 1 1 68 68 GLN H H 68 7.620 7.620 8.013 -0.393 18255
1649 1 4 . 1 1 69 69 LEU N N 69 120.000 120.000 119.328 0.672 18255
1650 1 4 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.290 -0.200 18255
1651 1 4 . 1 1 69 69 LEU C C 69 176.600 176.600 177.618 -1.018 18255
1652 1 4 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.518 0.282 18255
1653 1 4 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.694 -0.794 18255
1654 1 4 . 1 1 69 69 LEU H H 69 7.900 7.900 7.730 0.170 18255
1655 1 4 . 1 1 70 70 TRP N N 70 119.200 119.200 119.506 -0.306 18255
1656 1 4 . 1 1 70 70 TRP C C 70 177.100 177.100 178.517 -1.417 18255
1657 1 4 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.053 -2.053 18255
1658 1 4 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.888 -1.588 18255
1659 1 4 . 1 1 70 70 TRP H H 70 8.120 8.120 8.233 -0.113 18255
1660 1 4 . 1 1 71 71 THR N N 71 114.500 114.500 113.254 1.246 18255
1661 1 4 . 1 1 71 71 THR HA H 71 4.160 4.160 4.469 -0.309 18255
1662 1 4 . 1 1 71 71 THR C C 71 174.700 174.700 175.752 -1.052 18255
1663 1 4 . 1 1 71 71 THR CA C 71 63.700 63.700 64.898 -1.198 18255
1664 1 4 . 1 1 71 71 THR CB C 71 69.500 69.500 68.568 0.932 18255
1665 1 4 . 1 1 71 71 THR H H 71 7.960 7.960 8.067 -0.107 18255
1666 1 4 . 1 1 72 72 ASP N N 72 120.700 120.700 120.269 0.431 18255
1667 1 4 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.389 0.171 18255
1668 1 4 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.165 -1.165 18255
1669 1 4 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.200 0.600 18255
1670 1 4 . 1 1 72 72 ASP H H 72 8.140 8.140 7.966 0.174 18255
1671 1 4 . 1 1 74 74 VAL N N 74 121.700 121.700 125.839 -4.139 18255
1672 1 4 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.554 -0.214 18255
1673 1 4 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.413 1.687 18255
1674 1 4 . 1 1 74 74 VAL CB C 74 32.500 32.500 34.204 -1.704 18255
1675 1 4 . 1 1 74 74 VAL H H 74 7.950 7.950 8.090 -0.140 18255
1676 1 4 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.561 -0.181 18255
1677 1 4 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.439 0.861 18255
1678 1 4 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.300 -0.100 18255
1679 1 4 . 1 1 76 76 ALA N N 76 124.200 124.200 121.710 2.490 18255
1680 1 4 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.066 0.074 18255
1681 1 4 . 1 1 76 76 ALA C C 76 178.400 178.400 179.746 -1.346 18255
1682 1 4 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.699 -0.899 18255
1683 1 4 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.094 0.606 18255
1684 1 4 . 1 1 76 76 ALA H H 76 8.600 8.600 8.409 0.191 18255
1685 1 4 . 1 1 77 77 SER N N 77 112.900 112.900 115.514 -2.614 18255
1686 1 4 . 1 1 77 77 SER HA H 77 4.340 4.340 4.216 0.124 18255
1687 1 4 . 1 1 77 77 SER C C 77 175.200 175.200 176.436 -1.236 18255
1688 1 4 . 1 1 77 77 SER CA C 77 59.200 59.200 60.652 -1.452 18255
1689 1 4 . 1 1 77 77 SER CB C 77 63.200 63.200 62.596 0.604 18255
1690 1 4 . 1 1 77 77 SER H H 77 8.310 8.310 8.281 0.029 18255
1691 1 4 . 1 1 78 78 VAL N N 78 121.700 121.700 122.605 -0.905 18255
1692 1 4 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.813 0.207 18255
1693 1 4 . 1 1 78 78 VAL C C 78 176.600 176.600 176.899 -0.299 18255
1694 1 4 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.488 -2.088 18255
1695 1 4 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.508 0.792 18255
1696 1 4 . 1 1 78 78 VAL H H 78 7.810 7.810 8.007 -0.197 18255
1697 1 4 . 1 1 79 79 ARG N N 79 121.900 121.900 117.019 4.881 18255
1698 1 4 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.226 -0.066 18255
1699 1 4 . 1 1 79 79 ARG CA C 79 57.300 57.300 57.383 -0.083 18255
1700 1 4 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.882 0.618 18255
1701 1 4 . 1 1 79 79 ARG H H 79 8.100 8.100 7.864 0.236 18255
1702 1 4 . 1 1 80 80 GLU N N 80 119.600 119.600 118.666 0.934 18255
1703 1 4 . 1 1 80 80 GLU CB C 80 30.000 30.000 28.962 1.038 18255
1704 1 4 . 1 1 80 80 GLU H H 80 8.260 8.260 7.696 0.564 18255
1705 1 4 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.619 -0.069 18255
1706 1 4 . 1 1 81 81 HIS C C 81 175.600 175.600 174.796 0.804 18255
1707 1 4 . 1 1 81 81 HIS CA C 81 56.200 56.200 56.914 -0.714 18255
1708 1 4 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.524 -0.124 18255
1709 1 4 . 1 1 82 82 LEU N N 82 121.500 121.500 120.274 1.226 18255
1710 1 4 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.570 -0.310 18255
1711 1 4 . 1 1 82 82 LEU C C 82 177.200 177.200 176.054 1.146 18255
1712 1 4 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.017 1.583 18255
1713 1 4 . 1 1 82 82 LEU CB C 82 42.100 42.100 43.357 -1.257 18255
1714 1 4 . 1 1 82 82 LEU H H 82 8.120 8.120 7.431 0.689 18255
1715 1 4 . 1 1 83 83 ASN N N 83 118.300 118.300 118.295 0.005 18255
1716 1 4 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.812 -0.172 18255
1717 1 4 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.811 0.689 18255
1718 1 4 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.533 0.067 18255
1719 1 4 . 1 1 83 83 ASN H H 83 8.400 8.400 8.617 -0.217 18255
1720 1 4 . 1 1 85 85 HIS C C 85 174.900 174.900 174.439 0.461 18255
1721 1 4 . 1 1 85 85 HIS CA C 85 56.300 56.300 56.498 -0.198 18255
1722 1 4 . 1 1 85 85 HIS CB C 85 30.600 30.600 31.930 -1.330 18255
1723 1 4 . 1 1 86 86 SER N N 86 116.700 116.700 118.017 -1.317 18255
1724 1 4 . 1 1 86 86 SER C C 86 174.100 174.100 173.889 0.211 18255
1725 1 4 . 1 1 86 86 SER CA C 86 58.400 58.400 58.081 0.320 18255
1726 1 4 . 1 1 86 86 SER CB C 86 64.300 64.300 62.756 1.544 18255
1727 1 4 . 1 1 86 86 SER H H 86 8.220 8.220 8.375 -0.155 18255
1728 1 4 . 1 1 87 87 GLY N N 87 110.400 110.400 109.226 1.174 18255
1729 1 4 . 1 1 87 87 GLY CA C 87 44.500 44.500 43.714 0.786 18255
1730 1 4 . 1 1 87 87 GLY H H 87 8.310 8.310 8.071 0.239 18255
1731 1 4 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.220 0.150 18255
1732 1 4 . 1 1 88 88 PRO C C 88 177.400 177.400 177.243 0.157 18255
1733 1 4 . 1 1 88 88 PRO CA C 88 63.200 63.200 63.931 -0.731 18255
1734 1 4 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.173 -0.173 18255
1735 1 4 . 1 1 89 89 GLY N N 89 109.300 109.300 105.230 4.070 18255
1736 1 4 . 1 1 89 89 GLY C C 89 173.800 173.800 172.984 0.816 18255
1737 1 4 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.946 0.255 18255
1738 1 4 . 1 1 89 89 GLY H H 89 8.500 8.500 8.033 0.467 18255
1739 1 4 . 1 1 90 90 ILE N N 90 119.600 119.600 123.565 -3.965 18255
1740 1 4 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.291 -0.211 18255
1741 1 4 . 1 1 90 90 ILE C C 90 175.400 175.400 173.691 1.709 18255
1742 1 4 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.707 0.293 18255
1743 1 4 . 1 1 90 90 ILE CB C 90 38.900 38.900 38.487 0.413 18255
1744 1 4 . 1 1 90 90 ILE H H 90 7.910 7.910 7.732 0.178 18255
1745 1 4 . 1 1 91 91 ASP N N 91 123.400 123.400 125.235 -1.835 18255
1746 1 4 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.745 -0.175 18255
1747 1 4 . 1 1 91 91 ASP C C 91 175.700 175.700 174.344 1.356 18255
1748 1 4 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.188 0.712 18255
1749 1 4 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.573 -2.473 18255
1750 1 4 . 1 1 91 91 ASP H H 91 8.350 8.350 8.423 -0.073 18255
1751 1 4 . 1 1 92 92 TYR N N 92 120.800 120.800 122.151 -1.351 18255
1752 1 4 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.766 -0.306 18255
1753 1 4 . 1 1 92 92 TYR C C 92 175.200 175.200 175.781 -0.581 18255
1754 1 4 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.165 0.835 18255
1755 1 4 . 1 1 92 92 TYR CB C 92 38.600 38.600 39.367 -0.767 18255
1756 1 4 . 1 1 92 92 TYR H H 92 8.050 8.050 8.475 -0.425 18255
1757 1 4 . 1 1 93 93 ALA N N 93 124.700 124.700 125.750 -1.050 18255
1758 1 4 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.169 0.131 18255
1759 1 4 . 1 1 93 93 ALA C C 93 177.100 177.100 177.717 -0.617 18255
1760 1 4 . 1 1 93 93 ALA CA C 93 52.400 52.400 52.239 0.161 18255
1761 1 4 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.570 -0.270 18255
1762 1 4 . 1 1 93 93 ALA H H 93 8.170 8.170 8.603 -0.433 18255
1763 1 4 . 1 1 94 94 VAL N N 94 119.400 119.400 120.376 -0.976 18255
1764 1 4 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.962 0.088 18255
1765 1 4 . 1 1 94 94 VAL C C 94 175.100 175.100 175.455 -0.355 18255
1766 1 4 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.986 0.415 18255
1767 1 4 . 1 1 94 94 VAL CB C 94 32.300 32.300 29.819 2.482 18255
1768 1 4 . 1 1 94 94 VAL H H 94 8.000 8.000 8.546 -0.546 18255
1769 1 5 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.659 -0.699 18255
1770 1 5 . 1 1 2 2 ALA CA C 2 51.700 51.700 51.573 0.127 18255
1771 1 5 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.818 -0.118 18255
1772 1 5 . 1 1 8 8 HIS C C 8 175.200 175.200 174.227 0.973 18255
1773 1 5 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.776 -0.176 18255
1774 1 5 . 1 1 8 8 HIS CB C 8 30.800 30.800 29.424 1.376 18255
1775 1 5 . 1 1 9 9 MET N N 9 121.800 121.800 126.924 -5.124 18255
1776 1 5 . 1 1 9 9 MET C C 9 176.400 176.400 175.280 1.120 18255
1777 1 5 . 1 1 9 9 MET CA C 9 55.800 55.800 55.535 0.265 18255
1778 1 5 . 1 1 9 9 MET CB C 9 32.800 32.800 34.801 -2.002 18255
1779 1 5 . 1 1 9 9 MET H H 9 8.470 8.470 8.055 0.415 18255
1780 1 5 . 1 1 10 10 GLY N N 10 109.800 109.800 108.213 1.587 18255
1781 1 5 . 1 1 10 10 GLY C C 10 174.100 174.100 175.671 -1.571 18255
1782 1 5 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.890 0.410 18255
1783 1 5 . 1 1 10 10 GLY H H 10 8.490 8.490 8.223 0.267 18255
1784 1 5 . 1 1 11 11 THR N N 11 113.600 113.600 114.826 -1.226 18255
1785 1 5 . 1 1 11 11 THR HA H 11 3.710 3.710 4.115 -0.405 18255
1786 1 5 . 1 1 11 11 THR C C 11 174.600 174.600 174.238 0.362 18255
1787 1 5 . 1 1 11 11 THR CA C 11 62.400 62.400 64.551 -2.151 18255
1788 1 5 . 1 1 11 11 THR CB C 11 70.100 70.100 68.846 1.254 18255
1789 1 5 . 1 1 11 11 THR H H 11 8.100 8.100 8.627 -0.527 18255
1790 1 5 . 1 1 12 12 LEU N N 12 123.900 123.900 119.099 4.801 18255
1791 1 5 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.783 -0.483 18255
1792 1 5 . 1 1 12 12 LEU C C 12 177.400 177.400 175.553 1.847 18255
1793 1 5 . 1 1 12 12 LEU CA C 12 55.600 55.600 52.972 2.628 18255
1794 1 5 . 1 1 12 12 LEU CB C 12 42.100 42.100 45.466 -3.366 18255
1795 1 5 . 1 1 12 12 LEU H H 12 8.350 8.350 7.470 0.880 18255
1796 1 5 . 1 1 13 13 GLU N N 13 121.300 121.300 119.359 1.941 18255
1797 1 5 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.248 -0.058 18255
1798 1 5 . 1 1 13 13 GLU C C 13 176.200 176.200 175.032 1.168 18255
1799 1 5 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.706 1.194 18255
1800 1 5 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.111 -0.112 18255
1801 1 5 . 1 1 13 13 GLU H H 13 8.420 8.420 8.308 0.112 18255
1802 1 5 . 1 1 14 14 ALA N N 14 124.100 124.100 123.068 1.032 18255
1803 1 5 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.587 -0.327 18255
1804 1 5 . 1 1 14 14 ALA C C 14 177.700 177.700 176.656 1.044 18255
1805 1 5 . 1 1 14 14 ALA CA C 14 52.700 52.700 50.896 1.804 18255
1806 1 5 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.746 -1.646 18255
1807 1 5 . 1 1 14 14 ALA H H 14 8.260 8.260 8.426 -0.166 18255
1808 1 5 . 1 1 15 15 GLN N N 15 119.100 119.100 119.383 -0.283 18255
1809 1 5 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.317 0.043 18255
1810 1 5 . 1 1 15 15 GLN C C 15 176.200 176.200 175.261 0.939 18255
1811 1 5 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.033 0.867 18255
1812 1 5 . 1 1 15 15 GLN CB C 15 29.300 29.300 26.931 2.369 18255
1813 1 5 . 1 1 15 15 GLN H H 15 8.340 8.340 8.630 -0.290 18255
1814 1 5 . 1 1 16 16 THR N N 16 114.600 114.600 115.472 -0.872 18255
1815 1 5 . 1 1 16 16 THR HA H 16 4.320 4.320 4.314 0.006 18255
1816 1 5 . 1 1 16 16 THR C C 16 174.300 174.300 173.871 0.429 18255
1817 1 5 . 1 1 16 16 THR CA C 16 61.900 61.900 61.829 0.071 18255
1818 1 5 . 1 1 16 16 THR CB C 16 69.700 69.700 68.879 0.821 18255
1819 1 5 . 1 1 16 16 THR H H 16 8.160 8.160 7.965 0.195 18255
1820 1 5 . 1 1 17 17 GLN N N 17 122.200 122.200 125.562 -3.362 18255
1821 1 5 . 1 1 17 17 GLN C C 17 175.800 175.800 174.471 1.329 18255
1822 1 5 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.640 1.260 18255
1823 1 5 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.125 -1.525 18255
1824 1 5 . 1 1 17 17 GLN H H 17 8.410 8.410 7.904 0.506 18255
1825 1 5 . 1 1 18 18 GLY N N 18 110.100 110.100 112.209 -2.109 18255
1826 1 5 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.082 1.518 18255
1827 1 5 . 1 1 18 18 GLY H H 18 8.340 8.340 8.394 -0.054 18255
1828 1 5 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.466 -0.036 18255
1829 1 5 . 1 1 19 19 PRO C C 19 177.500 177.500 176.440 1.060 18255
1830 1 5 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.833 0.667 18255
1831 1 5 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.945 -0.845 18255
1832 1 5 . 1 1 20 20 GLY N N 20 109.600 109.600 108.698 0.902 18255
1833 1 5 . 1 1 20 20 GLY C C 20 174.000 174.000 172.472 1.528 18255
1834 1 5 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.163 0.037 18255
1835 1 5 . 1 1 20 20 GLY H H 20 8.620 8.620 8.419 0.201 18255
1836 1 5 . 1 1 21 21 SER N N 21 115.300 115.300 114.978 0.322 18255
1837 1 5 . 1 1 21 21 SER HA H 21 4.460 4.460 4.842 -0.382 18255
1838 1 5 . 1 1 21 21 SER C C 21 174.700 174.700 173.552 1.148 18255
1839 1 5 . 1 1 21 21 SER CA C 21 58.400 58.400 57.285 1.115 18255
1840 1 5 . 1 1 21 21 SER CB C 21 64.000 64.000 65.364 -1.364 18255
1841 1 5 . 1 1 21 21 SER H H 21 8.240 8.240 8.622 -0.382 18255
1842 1 5 . 1 1 22 22 MET N N 22 122.000 122.000 119.192 2.808 18255
1843 1 5 . 1 1 22 22 MET HA H 22 4.530 4.530 4.781 -0.251 18255
1844 1 5 . 1 1 22 22 MET C C 22 176.000 176.000 175.154 0.846 18255
1845 1 5 . 1 1 22 22 MET CA C 22 55.700 55.700 54.550 1.150 18255
1846 1 5 . 1 1 22 22 MET CB C 22 32.600 32.600 33.308 -0.708 18255
1847 1 5 . 1 1 22 22 MET H H 22 8.570 8.570 8.348 0.222 18255
1848 1 5 . 1 1 23 23 ASP N N 23 120.600 120.600 124.269 -3.669 18255
1849 1 5 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.711 -0.081 18255
1850 1 5 . 1 1 23 23 ASP C C 23 175.700 175.700 175.788 -0.088 18255
1851 1 5 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.455 1.345 18255
1852 1 5 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.360 -1.360 18255
1853 1 5 . 1 1 23 23 ASP H H 23 8.330 8.330 8.333 -0.003 18255
1854 1 5 . 1 1 24 24 ASP N N 24 119.800 119.800 118.633 1.167 18255
1855 1 5 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.499 0.161 18255
1856 1 5 . 1 1 24 24 ASP C C 24 175.800 175.800 176.326 -0.526 18255
1857 1 5 . 1 1 24 24 ASP CA C 24 54.100 54.100 55.273 -1.173 18255
1858 1 5 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.466 -0.166 18255
1859 1 5 . 1 1 24 24 ASP H H 24 8.250 8.250 8.567 -0.317 18255
1860 1 5 . 1 1 25 25 GLU N N 25 120.600 120.600 118.225 2.375 18255
1861 1 5 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.266 -0.046 18255
1862 1 5 . 1 1 25 25 GLU C C 25 175.200 175.200 175.078 0.122 18255
1863 1 5 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.249 0.151 18255
1864 1 5 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.889 0.611 18255
1865 1 5 . 1 1 25 25 GLU H H 25 8.190 8.190 8.233 -0.043 18255
1866 1 5 . 1 1 26 26 LEU N N 26 121.500 121.500 123.755 -2.255 18255
1867 1 5 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.611 -0.071 18255
1868 1 5 . 1 1 26 26 LEU C C 26 175.200 175.200 175.723 -0.523 18255
1869 1 5 . 1 1 26 26 LEU CA C 26 54.000 54.000 53.646 0.354 18255
1870 1 5 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.794 0.906 18255
1871 1 5 . 1 1 26 26 LEU H H 26 8.270 8.270 8.448 -0.178 18255
1872 1 5 . 1 1 27 27 TYR N N 27 119.400 119.400 120.529 -1.129 18255
1873 1 5 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.036 -0.066 18255
1874 1 5 . 1 1 27 27 TYR C C 27 173.100 173.100 174.693 -1.593 18255
1875 1 5 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.023 -0.323 18255
1876 1 5 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.875 1.025 18255
1877 1 5 . 1 1 27 27 TYR H H 27 9.250 9.250 8.983 0.267 18255
1878 1 5 . 1 1 28 28 PHE N N 28 114.700 114.700 118.883 -4.183 18255
1879 1 5 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.833 0.237 18255
1880 1 5 . 1 1 28 28 PHE C C 28 178.100 178.100 174.492 3.608 18255
1881 1 5 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.398 0.702 18255
1882 1 5 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.520 -1.020 18255
1883 1 5 . 1 1 28 28 PHE H H 28 9.510 9.510 9.280 0.230 18255
1884 1 5 . 1 1 29 29 VAL N N 29 121.100 121.100 120.259 0.841 18255
1885 1 5 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.700 -0.220 18255
1886 1 5 . 1 1 29 29 VAL C C 29 175.200 175.200 175.249 -0.049 18255
1887 1 5 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.728 2.272 18255
1888 1 5 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.271 -0.371 18255
1889 1 5 . 1 1 29 29 VAL H H 29 9.110 9.110 8.795 0.315 18255
1890 1 5 . 1 1 30 30 VAL N N 30 119.800 119.800 117.819 1.981 18255
1891 1 5 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.455 0.095 18255
1892 1 5 . 1 1 30 30 VAL C C 30 173.800 173.800 173.913 -0.113 18255
1893 1 5 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.229 -1.229 18255
1894 1 5 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.211 -0.111 18255
1895 1 5 . 1 1 30 30 VAL H H 30 8.890 8.890 9.244 -0.354 18255
1896 1 5 . 1 1 31 31 ARG N N 31 119.700 119.700 117.688 2.012 18255
1897 1 5 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.903 0.287 18255
1898 1 5 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.026 -1.526 18255
1899 1 5 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.442 0.658 18255
1900 1 5 . 1 1 31 31 ARG H H 31 8.980 8.980 9.044 -0.064 18255
1901 1 5 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.645 -0.405 18255
1902 1 5 . 1 1 32 32 ASN C C 32 176.600 176.600 174.217 2.383 18255
1903 1 5 . 1 1 32 32 ASN CA C 32 49.700 49.700 53.059 -3.359 18255
1904 1 5 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.366 -3.666 18255
1905 1 5 . 1 1 33 33 ASN N N 33 114.800 114.800 118.295 -3.495 18255
1906 1 5 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.118 0.172 18255
1907 1 5 . 1 1 33 33 ASN C C 33 175.600 175.600 175.130 0.470 18255
1908 1 5 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.210 0.290 18255
1909 1 5 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.753 0.047 18255
1910 1 5 . 1 1 33 33 ASN H H 33 7.760 7.760 8.849 -1.089 18255
1911 1 5 . 1 1 34 34 GLU N N 34 116.900 116.900 117.022 -0.122 18255
1912 1 5 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.319 -0.009 18255
1913 1 5 . 1 1 34 34 GLU C C 34 176.200 176.200 177.218 -1.018 18255
1914 1 5 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.276 -0.376 18255
1915 1 5 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.731 -0.231 18255
1916 1 5 . 1 1 34 34 GLU H H 34 7.340 7.340 8.103 -0.763 18255
1917 1 5 . 1 1 35 35 GLY N N 35 107.000 107.000 108.840 -1.840 18255
1918 1 5 . 1 1 35 35 GLY C C 35 173.400 173.400 173.591 -0.191 18255
1919 1 5 . 1 1 35 35 GLY CA C 35 45.400 45.400 46.122 -0.722 18255
1920 1 5 . 1 1 35 35 GLY H H 35 7.720 7.720 8.213 -0.493 18255
1921 1 5 . 1 1 36 36 GLN N N 36 117.700 117.700 117.238 0.462 18255
1922 1 5 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.185 0.095 18255
1923 1 5 . 1 1 36 36 GLN CA C 36 54.500 54.500 53.610 0.890 18255
1924 1 5 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.977 -1.477 18255
1925 1 5 . 1 1 36 36 GLN H H 36 7.570 7.570 7.445 0.125 18255
1926 1 5 . 1 1 37 37 TYR C C 37 176.300 176.300 175.893 0.407 18255
1927 1 5 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.558 -0.058 18255
1928 1 5 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.482 2.318 18255
1929 1 5 . 1 1 38 38 SER N N 38 114.700 114.700 118.303 -3.603 18255
1930 1 5 . 1 1 38 38 SER HA H 38 5.770 5.770 5.047 0.723 18255
1931 1 5 . 1 1 38 38 SER C C 38 173.100 173.100 172.880 0.220 18255
1932 1 5 . 1 1 38 38 SER CA C 38 57.300 57.300 57.701 -0.401 18255
1933 1 5 . 1 1 38 38 SER CB C 38 64.400 64.400 65.912 -1.512 18255
1934 1 5 . 1 1 38 38 SER H H 38 9.230 9.230 9.112 0.118 18255
1935 1 5 . 1 1 39 39 VAL N N 39 114.000 114.000 116.049 -2.049 18255
1936 1 5 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.190 0.510 18255
1937 1 5 . 1 1 39 39 VAL C C 39 175.200 175.200 174.489 0.711 18255
1938 1 5 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.692 -0.792 18255
1939 1 5 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.041 -1.241 18255
1940 1 5 . 1 1 39 39 VAL H H 39 8.430 8.430 8.610 -0.180 18255
1941 1 5 . 1 1 40 40 TRP N N 40 126.600 126.600 125.979 0.621 18255
1942 1 5 . 1 1 40 40 TRP C C 40 174.000 174.000 173.785 0.215 18255
1943 1 5 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.756 -0.256 18255
1944 1 5 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.133 2.567 18255
1945 1 5 . 1 1 40 40 TRP H H 40 9.590 9.590 9.276 0.314 18255
1946 1 5 . 1 1 41 41 MET N N 41 127.700 127.700 123.843 3.857 18255
1947 1 5 . 1 1 41 41 MET HA H 41 3.470 3.470 3.628 -0.158 18255
1948 1 5 . 1 1 41 41 MET C C 41 175.000 175.000 174.669 0.331 18255
1949 1 5 . 1 1 41 41 MET CA C 41 56.900 56.900 55.259 1.641 18255
1950 1 5 . 1 1 41 41 MET CB C 41 33.800 33.800 33.800 -0.000 18255
1951 1 5 . 1 1 41 41 MET H H 41 7.860 7.860 7.673 0.187 18255
1952 1 5 . 1 1 42 42 ASP N N 42 123.400 123.400 126.689 -3.289 18255
1953 1 5 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.700 -0.180 18255
1954 1 5 . 1 1 42 42 ASP C C 42 176.800 176.800 177.053 -0.253 18255
1955 1 5 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.742 -0.242 18255
1956 1 5 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.806 -0.305 18255
1957 1 5 . 1 1 42 42 ASP H H 42 8.290 8.290 8.158 0.132 18255
1958 1 5 . 1 1 43 43 GLY N N 43 113.300 113.300 112.277 1.023 18255
1959 1 5 . 1 1 43 43 GLY C C 43 174.000 174.000 173.896 0.104 18255
1960 1 5 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.102 0.198 18255
1961 1 5 . 1 1 43 43 GLY H H 43 8.350 8.350 8.594 -0.244 18255
1962 1 5 . 1 1 44 44 ARG N N 44 119.600 119.600 122.142 -2.542 18255
1963 1 5 . 1 1 44 44 ARG C C 44 176.600 176.600 176.350 0.250 18255
1964 1 5 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.117 -0.317 18255
1965 1 5 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.610 -0.110 18255
1966 1 5 . 1 1 44 44 ARG H H 44 7.560 7.560 7.687 -0.127 18255
1967 1 5 . 1 1 45 45 SER N N 45 121.000 121.000 121.495 -0.495 18255
1968 1 5 . 1 1 45 45 SER HA H 45 4.310 4.310 4.432 -0.122 18255
1969 1 5 . 1 1 45 45 SER C C 45 174.300 174.300 173.418 0.882 18255
1970 1 5 . 1 1 45 45 SER CA C 45 59.400 59.400 58.645 0.755 18255
1971 1 5 . 1 1 45 45 SER CB C 45 63.200 63.200 63.901 -0.701 18255
1972 1 5 . 1 1 45 45 SER H H 45 8.830 8.830 8.757 0.073 18255
1973 1 5 . 1 1 46 46 LEU N N 46 127.900 127.900 123.734 4.166 18255
1974 1 5 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.145 -0.295 18255
1975 1 5 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.762 1.238 18255
1976 1 5 . 1 1 46 46 LEU CB C 46 42.200 42.200 43.916 -1.716 18255
1977 1 5 . 1 1 46 46 LEU H H 46 8.610 8.610 8.229 0.381 18255
1978 1 5 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.311 -0.131 18255
1979 1 5 . 1 1 47 47 PRO C C 47 175.700 175.700 176.135 -0.435 18255
1980 1 5 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.639 -0.840 18255
1981 1 5 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.072 -0.972 18255
1982 1 5 . 1 1 48 48 ALA N N 48 123.600 123.600 125.547 -1.947 18255
1983 1 5 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.205 -0.105 18255
1984 1 5 . 1 1 48 48 ALA C C 48 178.800 178.800 178.452 0.348 18255
1985 1 5 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.902 -0.402 18255
1986 1 5 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.145 -0.945 18255
1987 1 5 . 1 1 48 48 ALA H H 48 8.260 8.260 8.196 0.064 18255
1988 1 5 . 1 1 49 49 GLY N N 49 110.200 110.200 111.292 -1.092 18255
1989 1 5 . 1 1 49 49 GLY C C 49 173.800 173.800 174.587 -0.787 18255
1990 1 5 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.453 0.647 18255
1991 1 5 . 1 1 49 49 GLY H H 49 8.720 8.720 8.449 0.271 18255
1992 1 5 . 1 1 50 50 TRP N N 50 119.900 119.900 122.948 -3.048 18255
1993 1 5 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.610 0.060 18255
1994 1 5 . 1 1 50 50 TRP C C 50 174.900 174.900 176.490 -1.590 18255
1995 1 5 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.838 -1.638 18255
1996 1 5 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.109 0.291 18255
1997 1 5 . 1 1 50 50 TRP H H 50 7.640 7.640 8.010 -0.370 18255
1998 1 5 . 1 1 51 51 GLU N N 51 118.200 118.200 122.517 -4.317 18255
1999 1 5 . 1 1 51 51 GLU C C 51 175.400 175.400 175.705 -0.305 18255
2000 1 5 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.614 -0.314 18255
2001 1 5 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.183 0.417 18255
2002 1 5 . 1 1 51 51 GLU H H 51 8.650 8.650 8.985 -0.335 18255
2003 1 5 . 1 1 52 52 THR N N 52 112.200 112.200 113.374 -1.174 18255
2004 1 5 . 1 1 52 52 THR C C 52 174.800 174.800 174.156 0.644 18255
2005 1 5 . 1 1 52 52 THR CA C 52 62.000 62.000 60.215 1.785 18255
2006 1 5 . 1 1 52 52 THR CB C 52 70.000 70.000 70.000 -0.000 18255
2007 1 5 . 1 1 52 52 THR H H 52 8.450 8.450 8.305 0.145 18255
2008 1 5 . 1 1 53 53 VAL N N 53 122.300 122.300 115.267 7.033 18255
2009 1 5 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.420 -0.150 18255
2010 1 5 . 1 1 53 53 VAL C C 53 176.200 176.200 174.177 2.023 18255
2011 1 5 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.519 0.781 18255
2012 1 5 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.612 -1.612 18255
2013 1 5 . 1 1 53 53 VAL H H 53 8.800 8.800 8.650 0.150 18255
2014 1 5 . 1 1 54 54 GLY N N 54 115.400 115.400 109.105 6.295 18255
2015 1 5 . 1 1 54 54 GLY C C 54 173.100 173.100 172.807 0.293 18255
2016 1 5 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.250 -0.350 18255
2017 1 5 . 1 1 54 54 GLY H H 54 8.830 8.830 8.341 0.489 18255
2018 1 5 . 1 1 55 55 GLU N N 55 119.000 119.000 121.498 -2.498 18255
2019 1 5 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.890 -0.170 18255
2020 1 5 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.963 -2.363 18255
2021 1 5 . 1 1 55 55 GLU H H 55 8.390 8.390 8.697 -0.306 18255
2022 1 5 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.081 0.339 18255
2023 1 5 . 1 1 56 56 PRO C C 56 176.200 176.200 175.564 0.636 18255
2024 1 5 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.434 0.466 18255
2025 1 5 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.056 0.444 18255
2026 1 5 . 1 1 57 57 ALA N N 57 124.300 124.300 126.834 -2.534 18255
2027 1 5 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.565 0.065 18255
2028 1 5 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.133 0.167 18255
2029 1 5 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.421 0.779 18255
2030 1 5 . 1 1 57 57 ALA H H 57 9.580 9.580 8.610 0.970 18255
2031 1 5 . 1 1 58 58 THR N N 58 108.700 108.700 114.805 -6.105 18255
2032 1 5 . 1 1 58 58 THR C C 58 175.700 175.700 176.193 -0.493 18255
2033 1 5 . 1 1 58 58 THR CA C 58 62.200 62.200 61.773 0.427 18255
2034 1 5 . 1 1 58 58 THR CB C 58 70.600 70.600 69.499 1.101 18255
2035 1 5 . 1 1 58 58 THR H H 58 8.070 8.070 8.396 -0.326 18255
2036 1 5 . 1 1 59 59 LYS N N 59 123.400 123.400 125.879 -2.479 18255
2037 1 5 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.496 -0.326 18255
2038 1 5 . 1 1 59 59 LYS C C 59 178.100 178.100 178.265 -0.165 18255
2039 1 5 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.827 1.473 18255
2040 1 5 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.776 -0.076 18255
2041 1 5 . 1 1 59 59 LYS H H 59 9.420 9.420 8.614 0.806 18255
2042 1 5 . 1 1 60 60 GLN N N 60 114.800 114.800 117.893 -3.093 18255
2043 1 5 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.925 -0.055 18255
2044 1 5 . 1 1 60 60 GLN C C 60 178.600 178.600 178.554 0.046 18255
2045 1 5 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.075 0.125 18255
2046 1 5 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.341 -0.241 18255
2047 1 5 . 1 1 60 60 GLN H H 60 8.610 8.610 7.706 0.904 18255
2048 1 5 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.116 -0.086 18255
2049 1 5 . 1 1 61 61 GLN C C 61 179.700 179.700 178.357 1.343 18255
2050 1 5 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.008 0.892 18255
2051 1 5 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.262 0.438 18255
2052 1 5 . 1 1 61 61 GLN H H 61 7.690 7.690 7.776 -0.086 18255
2053 1 5 . 1 1 62 62 CYS N N 62 118.800 118.800 120.300 -1.500 18255
2054 1 5 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.098 -0.208 18255
2055 1 5 . 1 1 62 62 CYS C C 62 176.400 176.400 176.823 -0.423 18255
2056 1 5 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.729 1.071 18255
2057 1 5 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.848 -0.648 18255
2058 1 5 . 1 1 62 62 CYS H H 62 8.460 8.460 8.232 0.228 18255
2059 1 5 . 1 1 63 63 LEU N N 63 119.200 119.200 118.954 0.246 18255
2060 1 5 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.059 -0.169 18255
2061 1 5 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.079 0.021 18255
2062 1 5 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.440 0.460 18255
2063 1 5 . 1 1 63 63 LEU H H 63 8.350 8.350 8.314 0.036 18255
2064 1 5 . 1 1 64 64 GLN N N 64 119.000 119.000 120.486 -1.486 18255
2065 1 5 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.150 -0.120 18255
2066 1 5 . 1 1 64 64 GLN C C 64 178.400 178.400 178.241 0.159 18255
2067 1 5 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.929 -0.329 18255
2068 1 5 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.503 -0.203 18255
2069 1 5 . 1 1 64 64 GLN H H 64 7.910 7.910 7.881 0.029 18255
2070 1 5 . 1 1 65 65 ARG N N 65 120.000 120.000 119.936 0.064 18255
2071 1 5 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.230 -0.230 18255
2072 1 5 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.320 -0.020 18255
2073 1 5 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.226 -0.326 18255
2074 1 5 . 1 1 65 65 ARG H H 65 7.940 7.940 7.956 -0.016 18255
2075 1 5 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.813 -0.443 18255
2076 1 5 . 1 1 66 66 ILE C C 66 176.700 176.700 177.473 -0.773 18255
2077 1 5 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.768 0.732 18255
2078 1 5 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.574 0.326 18255
2079 1 5 . 1 1 67 67 GLU N N 67 118.400 118.400 121.074 -2.674 18255
2080 1 5 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.127 -0.177 18255
2081 1 5 . 1 1 67 67 GLU C C 67 178.600 178.600 178.988 -0.388 18255
2082 1 5 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.686 0.614 18255
2083 1 5 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.238 0.062 18255
2084 1 5 . 1 1 67 67 GLU H H 67 7.600 7.600 8.267 -0.667 18255
2085 1 5 . 1 1 68 68 GLN N N 68 116.400 116.400 115.658 0.742 18255
2086 1 5 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.154 -0.034 18255
2087 1 5 . 1 1 68 68 GLN C C 68 177.400 177.400 177.032 0.368 18255
2088 1 5 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.584 1.016 18255
2089 1 5 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.590 0.010 18255
2090 1 5 . 1 1 68 68 GLN H H 68 7.620 7.620 7.974 -0.354 18255
2091 1 5 . 1 1 69 69 LEU N N 69 120.000 120.000 119.006 0.994 18255
2092 1 5 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.624 -0.534 18255
2093 1 5 . 1 1 69 69 LEU C C 69 176.600 176.600 178.008 -1.408 18255
2094 1 5 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.361 0.439 18255
2095 1 5 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.880 -0.980 18255
2096 1 5 . 1 1 69 69 LEU H H 69 7.900 7.900 7.590 0.310 18255
2097 1 5 . 1 1 70 70 TRP N N 70 119.200 119.200 120.849 -1.649 18255
2098 1 5 . 1 1 70 70 TRP C C 70 177.100 177.100 178.511 -1.411 18255
2099 1 5 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.443 -2.443 18255
2100 1 5 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.848 -1.548 18255
2101 1 5 . 1 1 70 70 TRP H H 70 8.120 8.120 8.087 0.033 18255
2102 1 5 . 1 1 71 71 THR N N 71 114.500 114.500 115.508 -1.008 18255
2103 1 5 . 1 1 71 71 THR HA H 71 4.160 4.160 4.123 0.037 18255
2104 1 5 . 1 1 71 71 THR C C 71 174.700 174.700 175.595 -0.895 18255
2105 1 5 . 1 1 71 71 THR CA C 71 63.700 63.700 64.740 -1.040 18255
2106 1 5 . 1 1 71 71 THR CB C 71 69.500 69.500 68.198 1.302 18255
2107 1 5 . 1 1 71 71 THR H H 71 7.960 7.960 7.758 0.202 18255
2108 1 5 . 1 1 72 72 ASP N N 72 120.700 120.700 121.910 -1.210 18255
2109 1 5 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.330 0.230 18255
2110 1 5 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.891 -0.891 18255
2111 1 5 . 1 1 72 72 ASP CB C 72 40.800 40.800 39.710 1.090 18255
2112 1 5 . 1 1 72 72 ASP H H 72 8.140 8.140 8.151 -0.011 18255
2113 1 5 . 1 1 74 74 VAL N N 74 121.700 121.700 126.599 -4.899 18255
2114 1 5 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.501 -0.161 18255
2115 1 5 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.720 1.380 18255
2116 1 5 . 1 1 74 74 VAL CB C 74 32.500 32.500 34.250 -1.750 18255
2117 1 5 . 1 1 74 74 VAL H H 74 7.950 7.950 8.097 -0.147 18255
2118 1 5 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.512 -0.132 18255
2119 1 5 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.448 0.852 18255
2120 1 5 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.435 -0.235 18255
2121 1 5 . 1 1 76 76 ALA N N 76 124.200 124.200 121.544 2.656 18255
2122 1 5 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.055 0.085 18255
2123 1 5 . 1 1 76 76 ALA C C 76 178.400 178.400 179.636 -1.236 18255
2124 1 5 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.706 -0.906 18255
2125 1 5 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.287 0.413 18255
2126 1 5 . 1 1 76 76 ALA H H 76 8.600 8.600 8.446 0.154 18255
2127 1 5 . 1 1 77 77 SER N N 77 112.900 112.900 113.999 -1.099 18255
2128 1 5 . 1 1 77 77 SER HA H 77 4.340 4.340 4.033 0.307 18255
2129 1 5 . 1 1 77 77 SER C C 77 175.200 175.200 176.277 -1.077 18255
2130 1 5 . 1 1 77 77 SER CA C 77 59.200 59.200 60.640 -1.440 18255
2131 1 5 . 1 1 77 77 SER CB C 77 63.200 63.200 62.457 0.743 18255
2132 1 5 . 1 1 77 77 SER H H 77 8.310 8.310 8.245 0.065 18255
2133 1 5 . 1 1 78 78 VAL N N 78 121.700 121.700 122.898 -1.198 18255
2134 1 5 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.722 0.298 18255
2135 1 5 . 1 1 78 78 VAL C C 78 176.600 176.600 177.023 -0.423 18255
2136 1 5 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.661 -2.261 18255
2137 1 5 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.835 0.465 18255
2138 1 5 . 1 1 78 78 VAL H H 78 7.810 7.810 8.126 -0.316 18255
2139 1 5 . 1 1 79 79 ARG N N 79 121.900 121.900 117.480 4.420 18255
2140 1 5 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.096 0.064 18255
2141 1 5 . 1 1 79 79 ARG CA C 79 57.300 57.300 57.936 -0.636 18255
2142 1 5 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.666 0.834 18255
2143 1 5 . 1 1 79 79 ARG H H 79 8.100 8.100 7.825 0.275 18255
2144 1 5 . 1 1 80 80 GLU N N 80 119.600 119.600 117.685 1.915 18255
2145 1 5 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.760 0.240 18255
2146 1 5 . 1 1 80 80 GLU H H 80 8.260 8.260 7.410 0.850 18255
2147 1 5 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.595 -0.045 18255
2148 1 5 . 1 1 81 81 HIS C C 81 175.600 175.600 176.948 -1.348 18255
2149 1 5 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.223 -2.023 18255
2150 1 5 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.161 0.239 18255
2151 1 5 . 1 1 82 82 LEU N N 82 121.500 121.500 120.291 1.209 18255
2152 1 5 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.416 -0.156 18255
2153 1 5 . 1 1 82 82 LEU C C 82 177.200 177.200 176.123 1.077 18255
2154 1 5 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.423 1.177 18255
2155 1 5 . 1 1 82 82 LEU CB C 82 42.100 42.100 40.169 1.931 18255
2156 1 5 . 1 1 82 82 LEU H H 82 8.120 8.120 7.702 0.418 18255
2157 1 5 . 1 1 83 83 ASN N N 83 118.300 118.300 118.577 -0.277 18255
2158 1 5 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.704 -0.063 18255
2159 1 5 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.783 -0.283 18255
2160 1 5 . 1 1 83 83 ASN CB C 83 38.600 38.600 40.140 -1.540 18255
2161 1 5 . 1 1 83 83 ASN H H 83 8.400 8.400 7.876 0.524 18255
2162 1 5 . 1 1 85 85 HIS C C 85 174.900 174.900 174.236 0.664 18255
2163 1 5 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.217 1.083 18255
2164 1 5 . 1 1 85 85 HIS CB C 85 30.600 30.600 31.527 -0.927 18255
2165 1 5 . 1 1 86 86 SER N N 86 116.700 116.700 117.652 -0.952 18255
2166 1 5 . 1 1 86 86 SER C C 86 174.100 174.100 174.999 -0.899 18255
2167 1 5 . 1 1 86 86 SER CA C 86 58.400 58.400 59.620 -1.220 18255
2168 1 5 . 1 1 86 86 SER CB C 86 64.300 64.300 63.228 1.072 18255
2169 1 5 . 1 1 86 86 SER H H 86 8.220 8.220 8.056 0.164 18255
2170 1 5 . 1 1 87 87 GLY N N 87 110.400 110.400 115.623 -5.223 18255
2171 1 5 . 1 1 87 87 GLY CA C 87 44.500 44.500 45.128 -0.628 18255
2172 1 5 . 1 1 87 87 GLY H H 87 8.310 8.310 8.481 -0.171 18255
2173 1 5 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.362 0.008 18255
2174 1 5 . 1 1 88 88 PRO C C 88 177.400 177.400 177.161 0.239 18255
2175 1 5 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.600 0.600 18255
2176 1 5 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.534 -0.534 18255
2177 1 5 . 1 1 89 89 GLY N N 89 109.300 109.300 107.231 2.069 18255
2178 1 5 . 1 1 89 89 GLY C C 89 173.800 173.800 174.602 -0.802 18255
2179 1 5 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.453 -0.253 18255
2180 1 5 . 1 1 89 89 GLY H H 89 8.500 8.500 8.673 -0.173 18255
2181 1 5 . 1 1 90 90 ILE N N 90 119.600 119.600 118.614 0.986 18255
2182 1 5 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.421 -0.341 18255
2183 1 5 . 1 1 90 90 ILE C C 90 175.400 175.400 174.900 0.500 18255
2184 1 5 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.230 -0.230 18255
2185 1 5 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.442 1.458 18255
2186 1 5 . 1 1 90 90 ILE H H 90 7.910 7.910 7.489 0.421 18255
2187 1 5 . 1 1 91 91 ASP N N 91 123.400 123.400 121.042 2.358 18255
2188 1 5 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.678 -0.108 18255
2189 1 5 . 1 1 91 91 ASP C C 91 175.700 175.700 174.705 0.995 18255
2190 1 5 . 1 1 91 91 ASP CA C 91 53.900 53.900 52.954 0.946 18255
2191 1 5 . 1 1 91 91 ASP CB C 91 41.100 41.100 41.704 -0.604 18255
2192 1 5 . 1 1 91 91 ASP H H 91 8.350 8.350 7.739 0.611 18255
2193 1 5 . 1 1 92 92 TYR N N 92 120.800 120.800 115.641 5.159 18255
2194 1 5 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.844 -0.384 18255
2195 1 5 . 1 1 92 92 TYR C C 92 175.200 175.200 174.270 0.930 18255
2196 1 5 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.343 0.657 18255
2197 1 5 . 1 1 92 92 TYR CB C 92 38.600 38.600 39.359 -0.759 18255
2198 1 5 . 1 1 92 92 TYR H H 92 8.050 8.050 8.190 -0.140 18255
2199 1 5 . 1 1 93 93 ALA N N 93 124.700 124.700 127.081 -2.381 18255
2200 1 5 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.487 -0.187 18255
2201 1 5 . 1 1 93 93 ALA C C 93 177.100 177.100 175.382 1.718 18255
2202 1 5 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.451 0.949 18255
2203 1 5 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.272 -0.972 18255
2204 1 5 . 1 1 93 93 ALA H H 93 8.170 8.170 8.176 -0.006 18255
2205 1 5 . 1 1 94 94 VAL N N 94 119.400 119.400 120.149 -0.749 18255
2206 1 5 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.122 -0.072 18255
2207 1 5 . 1 1 94 94 VAL C C 94 175.100 175.100 176.241 -1.141 18255
2208 1 5 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.200 0.200 18255
2209 1 5 . 1 1 94 94 VAL CB C 94 32.300 32.300 33.135 -0.835 18255
2210 1 5 . 1 1 94 94 VAL H H 94 8.000 8.000 8.396 -0.396 18255
2211 1 6 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.613 -0.653 18255
2212 1 6 . 1 1 2 2 ALA CA C 2 51.700 51.700 51.705 -0.004 18255
2213 1 6 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.683 0.017 18255
2214 1 6 . 1 1 8 8 HIS C C 8 175.200 175.200 174.037 1.163 18255
2215 1 6 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.457 0.143 18255
2216 1 6 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.939 -0.140 18255
2217 1 6 . 1 1 9 9 MET N N 9 121.800 121.800 124.099 -2.299 18255
2218 1 6 . 1 1 9 9 MET C C 9 176.400 176.400 176.199 0.201 18255
2219 1 6 . 1 1 9 9 MET CA C 9 55.800 55.800 56.283 -0.483 18255
2220 1 6 . 1 1 9 9 MET CB C 9 32.800 32.800 32.753 0.047 18255
2221 1 6 . 1 1 9 9 MET H H 9 8.470 8.470 8.577 -0.107 18255
2222 1 6 . 1 1 10 10 GLY N N 10 109.800 109.800 106.952 2.848 18255
2223 1 6 . 1 1 10 10 GLY C C 10 174.100 174.100 174.337 -0.237 18255
2224 1 6 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.637 -0.337 18255
2225 1 6 . 1 1 10 10 GLY H H 10 8.490 8.490 8.262 0.228 18255
2226 1 6 . 1 1 11 11 THR N N 11 113.600 113.600 115.959 -2.359 18255
2227 1 6 . 1 1 11 11 THR HA H 11 3.710 3.710 4.245 -0.535 18255
2228 1 6 . 1 1 11 11 THR C C 11 174.600 174.600 174.324 0.276 18255
2229 1 6 . 1 1 11 11 THR CA C 11 62.400 62.400 63.338 -0.938 18255
2230 1 6 . 1 1 11 11 THR CB C 11 70.100 70.100 69.936 0.164 18255
2231 1 6 . 1 1 11 11 THR H H 11 8.100 8.100 7.884 0.216 18255
2232 1 6 . 1 1 12 12 LEU N N 12 123.900 123.900 118.773 5.127 18255
2233 1 6 . 1 1 12 12 LEU HA H 12 4.300 4.300 5.099 -0.799 18255
2234 1 6 . 1 1 12 12 LEU C C 12 177.400 177.400 176.343 1.057 18255
2235 1 6 . 1 1 12 12 LEU CA C 12 55.600 55.600 53.450 2.150 18255
2236 1 6 . 1 1 12 12 LEU CB C 12 42.100 42.100 45.142 -3.042 18255
2237 1 6 . 1 1 12 12 LEU H H 12 8.350 8.350 7.721 0.629 18255
2238 1 6 . 1 1 13 13 GLU N N 13 121.300 121.300 118.242 3.058 18255
2239 1 6 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.608 -0.418 18255
2240 1 6 . 1 1 13 13 GLU C C 13 176.200 176.200 175.571 0.629 18255
2241 1 6 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.373 1.528 18255
2242 1 6 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.584 -0.584 18255
2243 1 6 . 1 1 13 13 GLU H H 13 8.420 8.420 8.508 -0.088 18255
2244 1 6 . 1 1 14 14 ALA N N 14 124.100 124.100 121.726 2.374 18255
2245 1 6 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.377 -0.117 18255
2246 1 6 . 1 1 14 14 ALA C C 14 177.700 177.700 176.297 1.403 18255
2247 1 6 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.035 0.665 18255
2248 1 6 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.579 -0.479 18255
2249 1 6 . 1 1 14 14 ALA H H 14 8.260 8.260 8.329 -0.069 18255
2250 1 6 . 1 1 15 15 GLN N N 15 119.100 119.100 117.493 1.607 18255
2251 1 6 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.599 -0.239 18255
2252 1 6 . 1 1 15 15 GLN C C 15 176.200 176.200 175.077 1.123 18255
2253 1 6 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.076 0.824 18255
2254 1 6 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.019 -0.719 18255
2255 1 6 . 1 1 15 15 GLN H H 15 8.340 8.340 8.343 -0.003 18255
2256 1 6 . 1 1 16 16 THR N N 16 114.600 114.600 118.567 -3.967 18255
2257 1 6 . 1 1 16 16 THR HA H 16 4.320 4.320 4.317 0.003 18255
2258 1 6 . 1 1 16 16 THR C C 16 174.300 174.300 175.600 -1.300 18255
2259 1 6 . 1 1 16 16 THR CA C 16 61.900 61.900 63.143 -1.243 18255
2260 1 6 . 1 1 16 16 THR CB C 16 69.700 69.700 70.434 -0.735 18255
2261 1 6 . 1 1 16 16 THR H H 16 8.160 8.160 9.294 -1.134 18255
2262 1 6 . 1 1 17 17 GLN N N 17 122.200 122.200 121.632 0.568 18255
2263 1 6 . 1 1 17 17 GLN C C 17 175.800 175.800 175.846 -0.046 18255
2264 1 6 . 1 1 17 17 GLN CA C 17 55.900 55.900 57.825 -1.925 18255
2265 1 6 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.044 1.556 18255
2266 1 6 . 1 1 17 17 GLN H H 17 8.410 8.410 8.493 -0.083 18255
2267 1 6 . 1 1 18 18 GLY N N 18 110.100 110.100 105.879 4.221 18255
2268 1 6 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.394 0.206 18255
2269 1 6 . 1 1 18 18 GLY H H 18 8.340 8.340 7.797 0.543 18255
2270 1 6 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.515 -0.085 18255
2271 1 6 . 1 1 19 19 PRO C C 19 177.500 177.500 176.627 0.873 18255
2272 1 6 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.928 0.571 18255
2273 1 6 . 1 1 19 19 PRO CB C 19 32.100 32.100 30.991 1.109 18255
2274 1 6 . 1 1 20 20 GLY N N 20 109.600 109.600 111.656 -2.056 18255
2275 1 6 . 1 1 20 20 GLY C C 20 174.000 174.000 173.686 0.314 18255
2276 1 6 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.543 0.657 18255
2277 1 6 . 1 1 20 20 GLY H H 20 8.620 8.620 8.168 0.452 18255
2278 1 6 . 1 1 21 21 SER N N 21 115.300 115.300 113.583 1.717 18255
2279 1 6 . 1 1 21 21 SER HA H 21 4.460 4.460 4.372 0.088 18255
2280 1 6 . 1 1 21 21 SER C C 21 174.700 174.700 174.343 0.357 18255
2281 1 6 . 1 1 21 21 SER CA C 21 58.400 58.400 58.425 -0.025 18255
2282 1 6 . 1 1 21 21 SER CB C 21 64.000 64.000 64.274 -0.274 18255
2283 1 6 . 1 1 21 21 SER H H 21 8.240 8.240 9.020 -0.780 18255
2284 1 6 . 1 1 22 22 MET N N 22 122.000 122.000 119.757 2.243 18255
2285 1 6 . 1 1 22 22 MET HA H 22 4.530 4.530 4.808 -0.278 18255
2286 1 6 . 1 1 22 22 MET C C 22 176.000 176.000 175.669 0.331 18255
2287 1 6 . 1 1 22 22 MET CA C 22 55.700 55.700 55.012 0.688 18255
2288 1 6 . 1 1 22 22 MET CB C 22 32.600 32.600 33.024 -0.424 18255
2289 1 6 . 1 1 22 22 MET H H 22 8.570 8.570 7.867 0.703 18255
2290 1 6 . 1 1 23 23 ASP N N 23 120.600 120.600 122.258 -1.658 18255
2291 1 6 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.396 0.234 18255
2292 1 6 . 1 1 23 23 ASP C C 23 175.700 175.700 176.447 -0.747 18255
2293 1 6 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.904 -0.103 18255
2294 1 6 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.822 0.179 18255
2295 1 6 . 1 1 23 23 ASP H H 23 8.330 8.330 8.506 -0.176 18255
2296 1 6 . 1 1 24 24 ASP N N 24 119.800 119.800 121.361 -1.561 18255
2297 1 6 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.729 -0.069 18255
2298 1 6 . 1 1 24 24 ASP C C 24 175.800 175.800 175.617 0.183 18255
2299 1 6 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.563 0.537 18255
2300 1 6 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.529 -1.229 18255
2301 1 6 . 1 1 24 24 ASP H H 24 8.250 8.250 8.221 0.029 18255
2302 1 6 . 1 1 25 25 GLU N N 25 120.600 120.600 122.018 -1.418 18255
2303 1 6 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.370 -0.150 18255
2304 1 6 . 1 1 25 25 GLU C C 25 175.200 175.200 176.556 -1.356 18255
2305 1 6 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.457 -0.057 18255
2306 1 6 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.262 0.238 18255
2307 1 6 . 1 1 25 25 GLU H H 25 8.190 8.190 8.682 -0.492 18255
2308 1 6 . 1 1 26 26 LEU N N 26 121.500 121.500 122.053 -0.553 18255
2309 1 6 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.415 0.125 18255
2310 1 6 . 1 1 26 26 LEU C C 26 175.200 175.200 176.605 -1.405 18255
2311 1 6 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.207 -1.207 18255
2312 1 6 . 1 1 26 26 LEU CB C 26 43.700 43.700 41.676 2.024 18255
2313 1 6 . 1 1 26 26 LEU H H 26 8.270 8.270 8.482 -0.212 18255
2314 1 6 . 1 1 27 27 TYR N N 27 119.400 119.400 119.281 0.119 18255
2315 1 6 . 1 1 27 27 TYR HA H 27 4.970 4.970 4.941 0.029 18255
2316 1 6 . 1 1 27 27 TYR C C 27 173.100 173.100 174.709 -1.609 18255
2317 1 6 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.315 -0.615 18255
2318 1 6 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.684 1.216 18255
2319 1 6 . 1 1 27 27 TYR H H 27 9.250 9.250 8.998 0.252 18255
2320 1 6 . 1 1 28 28 PHE N N 28 114.700 114.700 119.458 -4.758 18255
2321 1 6 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.940 0.130 18255
2322 1 6 . 1 1 28 28 PHE C C 28 178.100 178.100 174.520 3.580 18255
2323 1 6 . 1 1 28 28 PHE CA C 28 57.100 57.100 55.994 1.106 18255
2324 1 6 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.112 -1.612 18255
2325 1 6 . 1 1 28 28 PHE H H 28 9.510 9.510 9.435 0.075 18255
2326 1 6 . 1 1 29 29 VAL N N 29 121.100 121.100 120.583 0.517 18255
2327 1 6 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.761 -0.281 18255
2328 1 6 . 1 1 29 29 VAL C C 29 175.200 175.200 175.025 0.175 18255
2329 1 6 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.135 1.865 18255
2330 1 6 . 1 1 29 29 VAL CB C 29 31.900 31.900 33.063 -1.163 18255
2331 1 6 . 1 1 29 29 VAL H H 29 9.110 9.110 8.888 0.222 18255
2332 1 6 . 1 1 30 30 VAL N N 30 119.800 119.800 118.345 1.455 18255
2333 1 6 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.491 0.059 18255
2334 1 6 . 1 1 30 30 VAL C C 30 173.800 173.800 173.843 -0.043 18255
2335 1 6 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.955 -0.955 18255
2336 1 6 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.194 -0.094 18255
2337 1 6 . 1 1 30 30 VAL H H 30 8.890 8.890 9.164 -0.274 18255
2338 1 6 . 1 1 31 31 ARG N N 31 119.700 119.700 118.018 1.682 18255
2339 1 6 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.927 0.263 18255
2340 1 6 . 1 1 31 31 ARG CA C 31 53.500 53.500 54.835 -1.335 18255
2341 1 6 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.709 0.391 18255
2342 1 6 . 1 1 31 31 ARG H H 31 8.980 8.980 8.996 -0.016 18255
2343 1 6 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.625 -0.385 18255
2344 1 6 . 1 1 32 32 ASN C C 32 176.600 176.600 174.690 1.910 18255
2345 1 6 . 1 1 32 32 ASN CA C 32 49.700 49.700 53.061 -3.361 18255
2346 1 6 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.394 -3.694 18255
2347 1 6 . 1 1 33 33 ASN N N 33 114.800 114.800 119.409 -4.609 18255
2348 1 6 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.286 0.004 18255
2349 1 6 . 1 1 33 33 ASN C C 33 175.600 175.600 175.011 0.589 18255
2350 1 6 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.259 0.241 18255
2351 1 6 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.927 -0.127 18255
2352 1 6 . 1 1 33 33 ASN H H 33 7.760 7.760 8.848 -1.088 18255
2353 1 6 . 1 1 34 34 GLU N N 34 116.900 116.900 116.496 0.404 18255
2354 1 6 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.348 -0.038 18255
2355 1 6 . 1 1 34 34 GLU C C 34 176.200 176.200 177.261 -1.061 18255
2356 1 6 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.306 -0.406 18255
2357 1 6 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.030 -0.530 18255
2358 1 6 . 1 1 34 34 GLU H H 34 7.340 7.340 8.010 -0.670 18255
2359 1 6 . 1 1 35 35 GLY N N 35 107.000 107.000 109.322 -2.322 18255
2360 1 6 . 1 1 35 35 GLY C C 35 173.400 173.400 173.601 -0.201 18255
2361 1 6 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.362 0.038 18255
2362 1 6 . 1 1 35 35 GLY H H 35 7.720 7.720 8.214 -0.494 18255
2363 1 6 . 1 1 36 36 GLN N N 36 117.700 117.700 117.410 0.290 18255
2364 1 6 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.659 0.621 18255
2365 1 6 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.159 0.341 18255
2366 1 6 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.981 -0.481 18255
2367 1 6 . 1 1 36 36 GLN H H 36 7.570 7.570 7.309 0.261 18255
2368 1 6 . 1 1 37 37 TYR C C 37 176.300 176.300 175.192 1.108 18255
2369 1 6 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.828 -0.328 18255
2370 1 6 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.175 2.625 18255
2371 1 6 . 1 1 38 38 SER N N 38 114.700 114.700 116.476 -1.776 18255
2372 1 6 . 1 1 38 38 SER HA H 38 5.770 5.770 4.909 0.861 18255
2373 1 6 . 1 1 38 38 SER C C 38 173.100 173.100 172.809 0.291 18255
2374 1 6 . 1 1 38 38 SER CA C 38 57.300 57.300 56.998 0.302 18255
2375 1 6 . 1 1 38 38 SER CB C 38 64.400 64.400 66.774 -2.374 18255
2376 1 6 . 1 1 38 38 SER H H 38 9.230 9.230 8.943 0.287 18255
2377 1 6 . 1 1 39 39 VAL N N 39 114.000 114.000 115.677 -1.677 18255
2378 1 6 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.236 0.464 18255
2379 1 6 . 1 1 39 39 VAL C C 39 175.200 175.200 174.709 0.491 18255
2380 1 6 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.467 -0.567 18255
2381 1 6 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.230 -1.430 18255
2382 1 6 . 1 1 39 39 VAL H H 39 8.430 8.430 8.552 -0.122 18255
2383 1 6 . 1 1 40 40 TRP N N 40 126.600 126.600 126.314 0.286 18255
2384 1 6 . 1 1 40 40 TRP C C 40 174.000 174.000 173.686 0.314 18255
2385 1 6 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.701 -0.201 18255
2386 1 6 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.076 2.624 18255
2387 1 6 . 1 1 40 40 TRP H H 40 9.590 9.590 9.341 0.249 18255
2388 1 6 . 1 1 41 41 MET N N 41 127.700 127.700 125.946 1.754 18255
2389 1 6 . 1 1 41 41 MET HA H 41 3.470 3.470 3.192 0.278 18255
2390 1 6 . 1 1 41 41 MET C C 41 175.000 175.000 174.393 0.607 18255
2391 1 6 . 1 1 41 41 MET CA C 41 56.900 56.900 55.792 1.108 18255
2392 1 6 . 1 1 41 41 MET CB C 41 33.800 33.800 32.643 1.157 18255
2393 1 6 . 1 1 41 41 MET H H 41 7.860 7.860 8.129 -0.269 18255
2394 1 6 . 1 1 42 42 ASP N N 42 123.400 123.400 127.205 -3.805 18255
2395 1 6 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.656 -0.136 18255
2396 1 6 . 1 1 42 42 ASP C C 42 176.800 176.800 176.745 0.055 18255
2397 1 6 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.801 -0.301 18255
2398 1 6 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.689 -0.189 18255
2399 1 6 . 1 1 42 42 ASP H H 42 8.290 8.290 7.975 0.315 18255
2400 1 6 . 1 1 43 43 GLY N N 43 113.300 113.300 112.318 0.982 18255
2401 1 6 . 1 1 43 43 GLY C C 43 174.000 174.000 173.827 0.173 18255
2402 1 6 . 1 1 43 43 GLY CA C 43 45.300 45.300 44.829 0.471 18255
2403 1 6 . 1 1 43 43 GLY H H 43 8.350 8.350 8.511 -0.161 18255
2404 1 6 . 1 1 44 44 ARG N N 44 119.600 119.600 122.788 -3.188 18255
2405 1 6 . 1 1 44 44 ARG C C 44 176.600 176.600 175.735 0.865 18255
2406 1 6 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.873 -0.073 18255
2407 1 6 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.020 0.480 18255
2408 1 6 . 1 1 44 44 ARG H H 44 7.560 7.560 7.750 -0.190 18255
2409 1 6 . 1 1 45 45 SER N N 45 121.000 121.000 121.964 -0.964 18255
2410 1 6 . 1 1 45 45 SER HA H 45 4.310 4.310 4.507 -0.197 18255
2411 1 6 . 1 1 45 45 SER C C 45 174.300 174.300 174.597 -0.297 18255
2412 1 6 . 1 1 45 45 SER CA C 45 59.400 59.400 59.209 0.191 18255
2413 1 6 . 1 1 45 45 SER CB C 45 63.200 63.200 63.721 -0.521 18255
2414 1 6 . 1 1 45 45 SER H H 45 8.830 8.830 8.844 -0.014 18255
2415 1 6 . 1 1 46 46 LEU N N 46 127.900 127.900 125.671 2.229 18255
2416 1 6 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.397 -0.547 18255
2417 1 6 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.023 0.977 18255
2418 1 6 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.761 0.438 18255
2419 1 6 . 1 1 46 46 LEU H H 46 8.610 8.610 8.164 0.446 18255
2420 1 6 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.475 -0.295 18255
2421 1 6 . 1 1 47 47 PRO C C 47 175.700 175.700 176.065 -0.365 18255
2422 1 6 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.317 -0.517 18255
2423 1 6 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.074 -0.974 18255
2424 1 6 . 1 1 48 48 ALA N N 48 123.600 123.600 123.788 -0.188 18255
2425 1 6 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.044 0.056 18255
2426 1 6 . 1 1 48 48 ALA C C 48 178.800 178.800 178.751 0.049 18255
2427 1 6 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.568 -0.068 18255
2428 1 6 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.988 -0.788 18255
2429 1 6 . 1 1 48 48 ALA H H 48 8.260 8.260 8.407 -0.147 18255
2430 1 6 . 1 1 49 49 GLY N N 49 110.200 110.200 112.215 -2.015 18255
2431 1 6 . 1 1 49 49 GLY C C 49 173.800 173.800 173.833 -0.033 18255
2432 1 6 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.852 0.248 18255
2433 1 6 . 1 1 49 49 GLY H H 49 8.720 8.720 8.344 0.376 18255
2434 1 6 . 1 1 50 50 TRP N N 50 119.900 119.900 122.412 -2.512 18255
2435 1 6 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.719 -0.049 18255
2436 1 6 . 1 1 50 50 TRP C C 50 174.900 174.900 176.445 -1.545 18255
2437 1 6 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.239 -1.039 18255
2438 1 6 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.914 0.486 18255
2439 1 6 . 1 1 50 50 TRP H H 50 7.640 7.640 8.025 -0.385 18255
2440 1 6 . 1 1 51 51 GLU N N 51 118.200 118.200 122.479 -4.279 18255
2441 1 6 . 1 1 51 51 GLU C C 51 175.400 175.400 175.689 -0.289 18255
2442 1 6 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.582 -0.282 18255
2443 1 6 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.153 0.447 18255
2444 1 6 . 1 1 51 51 GLU H H 51 8.650 8.650 9.013 -0.363 18255
2445 1 6 . 1 1 52 52 THR N N 52 112.200 112.200 114.082 -1.882 18255
2446 1 6 . 1 1 52 52 THR C C 52 174.800 174.800 173.921 0.879 18255
2447 1 6 . 1 1 52 52 THR CA C 52 62.000 62.000 60.355 1.645 18255
2448 1 6 . 1 1 52 52 THR CB C 52 70.000 70.000 70.047 -0.047 18255
2449 1 6 . 1 1 52 52 THR H H 52 8.450 8.450 8.340 0.110 18255
2450 1 6 . 1 1 53 53 VAL N N 53 122.300 122.300 114.012 8.288 18255
2451 1 6 . 1 1 53 53 VAL HA H 53 4.270 4.270 5.060 -0.790 18255
2452 1 6 . 1 1 53 53 VAL C C 53 176.200 176.200 175.257 0.943 18255
2453 1 6 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.274 1.026 18255
2454 1 6 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.838 -1.838 18255
2455 1 6 . 1 1 53 53 VAL H H 53 8.800 8.800 8.715 0.085 18255
2456 1 6 . 1 1 54 54 GLY N N 54 115.400 115.400 110.200 5.200 18255
2457 1 6 . 1 1 54 54 GLY C C 54 173.100 173.100 172.182 0.918 18255
2458 1 6 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.759 0.141 18255
2459 1 6 . 1 1 54 54 GLY H H 54 8.830 8.830 8.597 0.233 18255
2460 1 6 . 1 1 55 55 GLU N N 55 119.000 119.000 121.678 -2.678 18255
2461 1 6 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.845 -0.125 18255
2462 1 6 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.634 -2.034 18255
2463 1 6 . 1 1 55 55 GLU H H 55 8.390 8.390 8.500 -0.110 18255
2464 1 6 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.242 0.178 18255
2465 1 6 . 1 1 56 56 PRO C C 56 176.200 176.200 175.613 0.587 18255
2466 1 6 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.269 0.631 18255
2467 1 6 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.107 0.393 18255
2468 1 6 . 1 1 57 57 ALA N N 57 124.300 124.300 127.863 -3.563 18255
2469 1 6 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.647 -0.017 18255
2470 1 6 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.242 1.058 18255
2471 1 6 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.252 -0.052 18255
2472 1 6 . 1 1 57 57 ALA H H 57 9.580 9.580 8.721 0.859 18255
2473 1 6 . 1 1 58 58 THR N N 58 108.700 108.700 114.094 -5.394 18255
2474 1 6 . 1 1 58 58 THR C C 58 175.700 175.700 176.384 -0.684 18255
2475 1 6 . 1 1 58 58 THR CA C 58 62.200 62.200 62.584 -0.384 18255
2476 1 6 . 1 1 58 58 THR CB C 58 70.600 70.600 70.213 0.387 18255
2477 1 6 . 1 1 58 58 THR H H 58 8.070 8.070 8.405 -0.335 18255
2478 1 6 . 1 1 59 59 LYS N N 59 123.400 123.400 126.137 -2.737 18255
2479 1 6 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.443 -0.273 18255
2480 1 6 . 1 1 59 59 LYS C C 59 178.100 178.100 178.301 -0.201 18255
2481 1 6 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.617 1.683 18255
2482 1 6 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.738 -0.038 18255
2483 1 6 . 1 1 59 59 LYS H H 59 9.420 9.420 8.818 0.602 18255
2484 1 6 . 1 1 60 60 GLN N N 60 114.800 114.800 117.766 -2.966 18255
2485 1 6 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.908 -0.038 18255
2486 1 6 . 1 1 60 60 GLN C C 60 178.600 178.600 178.288 0.312 18255
2487 1 6 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.245 -0.045 18255
2488 1 6 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.309 -0.209 18255
2489 1 6 . 1 1 60 60 GLN H H 60 8.610 8.610 7.829 0.781 18255
2490 1 6 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.089 -0.059 18255
2491 1 6 . 1 1 61 61 GLN C C 61 179.700 179.700 178.668 1.032 18255
2492 1 6 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.170 0.730 18255
2493 1 6 . 1 1 61 61 GLN CB C 61 28.700 28.700 27.994 0.706 18255
2494 1 6 . 1 1 61 61 GLN H H 61 7.690 7.690 7.814 -0.124 18255
2495 1 6 . 1 1 62 62 CYS N N 62 118.800 118.800 120.014 -1.214 18255
2496 1 6 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.136 -0.246 18255
2497 1 6 . 1 1 62 62 CYS C C 62 176.400 176.400 176.817 -0.417 18255
2498 1 6 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.345 1.455 18255
2499 1 6 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.319 -0.119 18255
2500 1 6 . 1 1 62 62 CYS H H 62 8.460 8.460 8.181 0.279 18255
2501 1 6 . 1 1 63 63 LEU N N 63 119.200 119.200 119.877 -0.677 18255
2502 1 6 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.020 -0.130 18255
2503 1 6 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.328 -0.228 18255
2504 1 6 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.697 0.203 18255
2505 1 6 . 1 1 63 63 LEU H H 63 8.350 8.350 8.173 0.177 18255
2506 1 6 . 1 1 64 64 GLN N N 64 119.000 119.000 119.743 -0.743 18255
2507 1 6 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.214 -0.184 18255
2508 1 6 . 1 1 64 64 GLN C C 64 178.400 178.400 178.574 -0.174 18255
2509 1 6 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.764 -0.164 18255
2510 1 6 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.580 -0.280 18255
2511 1 6 . 1 1 64 64 GLN H H 64 7.910 7.910 8.408 -0.498 18255
2512 1 6 . 1 1 65 65 ARG N N 65 120.000 120.000 119.895 0.105 18255
2513 1 6 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.090 -0.090 18255
2514 1 6 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.384 -0.084 18255
2515 1 6 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.331 -0.431 18255
2516 1 6 . 1 1 65 65 ARG H H 65 7.940 7.940 7.929 0.011 18255
2517 1 6 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.827 -0.457 18255
2518 1 6 . 1 1 66 66 ILE C C 66 176.700 176.700 177.869 -1.169 18255
2519 1 6 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.307 1.193 18255
2520 1 6 . 1 1 66 66 ILE CB C 66 37.900 37.900 38.004 -0.104 18255
2521 1 6 . 1 1 67 67 GLU N N 67 118.400 118.400 119.896 -1.496 18255
2522 1 6 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.121 -0.171 18255
2523 1 6 . 1 1 67 67 GLU C C 67 178.600 178.600 178.131 0.469 18255
2524 1 6 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.708 0.592 18255
2525 1 6 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.323 -0.023 18255
2526 1 6 . 1 1 67 67 GLU H H 67 7.600 7.600 8.349 -0.749 18255
2527 1 6 . 1 1 68 68 GLN N N 68 116.400 116.400 116.675 -0.275 18255
2528 1 6 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.232 -0.112 18255
2529 1 6 . 1 1 68 68 GLN C C 68 177.400 177.400 176.426 0.974 18255
2530 1 6 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.560 1.040 18255
2531 1 6 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.821 -0.221 18255
2532 1 6 . 1 1 68 68 GLN H H 68 7.620 7.620 7.752 -0.132 18255
2533 1 6 . 1 1 69 69 LEU N N 69 120.000 120.000 119.071 0.929 18255
2534 1 6 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.438 -0.348 18255
2535 1 6 . 1 1 69 69 LEU C C 69 176.600 176.600 177.699 -1.099 18255
2536 1 6 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.224 0.576 18255
2537 1 6 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.572 -0.671 18255
2538 1 6 . 1 1 69 69 LEU H H 69 7.900 7.900 7.569 0.331 18255
2539 1 6 . 1 1 70 70 TRP N N 70 119.200 119.200 120.051 -0.851 18255
2540 1 6 . 1 1 70 70 TRP C C 70 177.100 177.100 178.175 -1.075 18255
2541 1 6 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.176 -2.176 18255
2542 1 6 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.706 -2.406 18255
2543 1 6 . 1 1 70 70 TRP H H 70 8.120 8.120 8.273 -0.153 18255
2544 1 6 . 1 1 71 71 THR N N 71 114.500 114.500 114.027 0.473 18255
2545 1 6 . 1 1 71 71 THR HA H 71 4.160 4.160 4.168 -0.008 18255
2546 1 6 . 1 1 71 71 THR C C 71 174.700 174.700 174.841 -0.141 18255
2547 1 6 . 1 1 71 71 THR CA C 71 63.700 63.700 65.457 -1.757 18255
2548 1 6 . 1 1 71 71 THR CB C 71 69.500 69.500 68.915 0.585 18255
2549 1 6 . 1 1 71 71 THR H H 71 7.960 7.960 7.714 0.246 18255
2550 1 6 . 1 1 72 72 ASP N N 72 120.700 120.700 120.245 0.455 18255
2551 1 6 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.262 0.298 18255
2552 1 6 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.854 -0.854 18255
2553 1 6 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.124 0.676 18255
2554 1 6 . 1 1 72 72 ASP H H 72 8.140 8.140 8.428 -0.288 18255
2555 1 6 . 1 1 74 74 VAL N N 74 121.700 121.700 126.951 -5.251 18255
2556 1 6 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.237 0.103 18255
2557 1 6 . 1 1 74 74 VAL CA C 74 60.100 60.100 60.025 0.075 18255
2558 1 6 . 1 1 74 74 VAL CB C 74 32.500 32.500 32.117 0.383 18255
2559 1 6 . 1 1 74 74 VAL H H 74 7.950 7.950 8.169 -0.219 18255
2560 1 6 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.496 -0.116 18255
2561 1 6 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.638 0.662 18255
2562 1 6 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.343 -0.143 18255
2563 1 6 . 1 1 76 76 ALA N N 76 124.200 124.200 121.004 3.196 18255
2564 1 6 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.041 0.099 18255
2565 1 6 . 1 1 76 76 ALA C C 76 178.400 178.400 179.531 -1.131 18255
2566 1 6 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.809 -1.009 18255
2567 1 6 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.470 0.230 18255
2568 1 6 . 1 1 76 76 ALA H H 76 8.600 8.600 8.471 0.129 18255
2569 1 6 . 1 1 77 77 SER N N 77 112.900 112.900 112.539 0.361 18255
2570 1 6 . 1 1 77 77 SER HA H 77 4.340 4.340 4.109 0.231 18255
2571 1 6 . 1 1 77 77 SER C C 77 175.200 175.200 176.182 -0.982 18255
2572 1 6 . 1 1 77 77 SER CA C 77 59.200 59.200 60.344 -1.144 18255
2573 1 6 . 1 1 77 77 SER CB C 77 63.200 63.200 62.870 0.330 18255
2574 1 6 . 1 1 77 77 SER H H 77 8.310 8.310 7.956 0.354 18255
2575 1 6 . 1 1 78 78 VAL N N 78 121.700 121.700 123.261 -1.561 18255
2576 1 6 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.614 0.406 18255
2577 1 6 . 1 1 78 78 VAL C C 78 176.600 176.600 176.920 -0.320 18255
2578 1 6 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.984 -2.584 18255
2579 1 6 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.878 0.422 18255
2580 1 6 . 1 1 78 78 VAL H H 78 7.810 7.810 8.229 -0.419 18255
2581 1 6 . 1 1 79 79 ARG N N 79 121.900 121.900 118.148 3.752 18255
2582 1 6 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.006 0.154 18255
2583 1 6 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.715 -2.415 18255
2584 1 6 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.921 0.579 18255
2585 1 6 . 1 1 79 79 ARG H H 79 8.100 8.100 7.973 0.127 18255
2586 1 6 . 1 1 80 80 GLU N N 80 119.600 119.600 119.557 0.043 18255
2587 1 6 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.516 0.484 18255
2588 1 6 . 1 1 80 80 GLU H H 80 8.260 8.260 7.807 0.453 18255
2589 1 6 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.440 0.110 18255
2590 1 6 . 1 1 81 81 HIS C C 81 175.600 175.600 176.367 -0.767 18255
2591 1 6 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.975 -2.775 18255
2592 1 6 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.531 -0.131 18255
2593 1 6 . 1 1 82 82 LEU N N 82 121.500 121.500 119.018 2.482 18255
2594 1 6 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.418 -0.158 18255
2595 1 6 . 1 1 82 82 LEU C C 82 177.200 177.200 177.002 0.198 18255
2596 1 6 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.791 -0.191 18255
2597 1 6 . 1 1 82 82 LEU CB C 82 42.100 42.100 43.277 -1.177 18255
2598 1 6 . 1 1 82 82 LEU H H 82 8.120 8.120 7.729 0.391 18255
2599 1 6 . 1 1 83 83 ASN N N 83 118.300 118.300 117.573 0.727 18255
2600 1 6 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.843 -0.203 18255
2601 1 6 . 1 1 83 83 ASN CA C 83 53.500 53.500 51.911 1.589 18255
2602 1 6 . 1 1 83 83 ASN CB C 83 38.600 38.600 40.465 -1.865 18255
2603 1 6 . 1 1 83 83 ASN H H 83 8.400 8.400 7.978 0.422 18255
2604 1 6 . 1 1 85 85 HIS C C 85 174.900 174.900 175.049 -0.149 18255
2605 1 6 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.600 1.700 18255
2606 1 6 . 1 1 85 85 HIS CB C 85 30.600 30.600 28.644 1.956 18255
2607 1 6 . 1 1 86 86 SER N N 86 116.700 116.700 122.051 -5.351 18255
2608 1 6 . 1 1 86 86 SER C C 86 174.100 174.100 174.317 -0.217 18255
2609 1 6 . 1 1 86 86 SER CA C 86 58.400 58.400 58.853 -0.453 18255
2610 1 6 . 1 1 86 86 SER CB C 86 64.300 64.300 61.365 2.935 18255
2611 1 6 . 1 1 86 86 SER H H 86 8.220 8.220 8.520 -0.300 18255
2612 1 6 . 1 1 87 87 GLY N N 87 110.400 110.400 113.691 -3.291 18255
2613 1 6 . 1 1 87 87 GLY CA C 87 44.500 44.500 45.135 -0.634 18255
2614 1 6 . 1 1 87 87 GLY H H 87 8.310 8.310 7.678 0.632 18255
2615 1 6 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.586 -0.216 18255
2616 1 6 . 1 1 88 88 PRO C C 88 177.400 177.400 176.208 1.192 18255
2617 1 6 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.598 0.602 18255
2618 1 6 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.626 -0.626 18255
2619 1 6 . 1 1 89 89 GLY N N 89 109.300 109.300 106.938 2.362 18255
2620 1 6 . 1 1 89 89 GLY C C 89 173.800 173.800 173.781 0.019 18255
2621 1 6 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.268 -0.068 18255
2622 1 6 . 1 1 89 89 GLY H H 89 8.500 8.500 8.454 0.046 18255
2623 1 6 . 1 1 90 90 ILE N N 90 119.600 119.600 127.308 -7.708 18255
2624 1 6 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.462 -0.382 18255
2625 1 6 . 1 1 90 90 ILE C C 90 175.400 175.400 175.729 -0.329 18255
2626 1 6 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.517 0.482 18255
2627 1 6 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.783 1.117 18255
2628 1 6 . 1 1 90 90 ILE H H 90 7.910 7.910 8.795 -0.885 18255
2629 1 6 . 1 1 91 91 ASP N N 91 123.400 123.400 124.362 -0.962 18255
2630 1 6 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.421 0.149 18255
2631 1 6 . 1 1 91 91 ASP C C 91 175.700 175.700 176.129 -0.429 18255
2632 1 6 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.340 -0.439 18255
2633 1 6 . 1 1 91 91 ASP CB C 91 41.100 41.100 40.933 0.167 18255
2634 1 6 . 1 1 91 91 ASP H H 91 8.350 8.350 8.494 -0.144 18255
2635 1 6 . 1 1 92 92 TYR N N 92 120.800 120.800 120.852 -0.052 18255
2636 1 6 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.463 -0.003 18255
2637 1 6 . 1 1 92 92 TYR C C 92 175.200 175.200 174.601 0.599 18255
2638 1 6 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.902 0.098 18255
2639 1 6 . 1 1 92 92 TYR CB C 92 38.600 38.600 36.570 2.030 18255
2640 1 6 . 1 1 92 92 TYR H H 92 8.050 8.050 7.929 0.121 18255
2641 1 6 . 1 1 93 93 ALA N N 93 124.700 124.700 124.187 0.513 18255
2642 1 6 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.690 -0.390 18255
2643 1 6 . 1 1 93 93 ALA C C 93 177.100 177.100 175.473 1.627 18255
2644 1 6 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.599 1.800 18255
2645 1 6 . 1 1 93 93 ALA CB C 93 19.300 19.300 21.045 -1.745 18255
2646 1 6 . 1 1 93 93 ALA H H 93 8.170 8.170 7.854 0.316 18255
2647 1 6 . 1 1 94 94 VAL N N 94 119.400 119.400 120.834 -1.434 18255
2648 1 6 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.107 -0.057 18255
2649 1 6 . 1 1 94 94 VAL C C 94 175.100 175.100 175.692 -0.592 18255
2650 1 6 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.191 0.209 18255
2651 1 6 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.578 -0.279 18255
2652 1 6 . 1 1 94 94 VAL H H 94 8.000 8.000 8.364 -0.364 18255
2653 1 7 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.504 -0.544 18255
2654 1 7 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.379 -0.679 18255
2655 1 7 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.699 1.001 18255
2656 1 7 . 1 1 8 8 HIS C C 8 175.200 175.200 173.563 1.637 18255
2657 1 7 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.052 0.548 18255
2658 1 7 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.963 -0.163 18255
2659 1 7 . 1 1 9 9 MET N N 9 121.800 121.800 121.170 0.630 18255
2660 1 7 . 1 1 9 9 MET C C 9 176.400 176.400 177.869 -1.469 18255
2661 1 7 . 1 1 9 9 MET CA C 9 55.800 55.800 56.166 -0.366 18255
2662 1 7 . 1 1 9 9 MET CB C 9 32.800 32.800 33.339 -0.539 18255
2663 1 7 . 1 1 9 9 MET H H 9 8.470 8.470 8.668 -0.198 18255
2664 1 7 . 1 1 10 10 GLY N N 10 109.800 109.800 107.704 2.096 18255
2665 1 7 . 1 1 10 10 GLY C C 10 174.100 174.100 174.181 -0.081 18255
2666 1 7 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.140 0.160 18255
2667 1 7 . 1 1 10 10 GLY H H 10 8.490 8.490 8.301 0.189 18255
2668 1 7 . 1 1 11 11 THR N N 11 113.600 113.600 118.271 -4.671 18255
2669 1 7 . 1 1 11 11 THR HA H 11 3.710 3.710 4.472 -0.762 18255
2670 1 7 . 1 1 11 11 THR C C 11 174.600 174.600 174.682 -0.082 18255
2671 1 7 . 1 1 11 11 THR CA C 11 62.400 62.400 62.245 0.155 18255
2672 1 7 . 1 1 11 11 THR CB C 11 70.100 70.100 70.012 0.088 18255
2673 1 7 . 1 1 11 11 THR H H 11 8.100 8.100 8.240 -0.140 18255
2674 1 7 . 1 1 12 12 LEU N N 12 123.900 123.900 120.837 3.063 18255
2675 1 7 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.636 -0.336 18255
2676 1 7 . 1 1 12 12 LEU C C 12 177.400 177.400 176.535 0.865 18255
2677 1 7 . 1 1 12 12 LEU CA C 12 55.600 55.600 53.060 2.540 18255
2678 1 7 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.723 -1.623 18255
2679 1 7 . 1 1 12 12 LEU H H 12 8.350 8.350 7.838 0.512 18255
2680 1 7 . 1 1 13 13 GLU N N 13 121.300 121.300 120.409 0.891 18255
2681 1 7 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.441 -0.251 18255
2682 1 7 . 1 1 13 13 GLU C C 13 176.200 176.200 175.960 0.240 18255
2683 1 7 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.934 0.966 18255
2684 1 7 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.558 -0.558 18255
2685 1 7 . 1 1 13 13 GLU H H 13 8.420 8.420 8.214 0.206 18255
2686 1 7 . 1 1 14 14 ALA N N 14 124.100 124.100 121.344 2.756 18255
2687 1 7 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.130 0.130 18255
2688 1 7 . 1 1 14 14 ALA C C 14 177.700 177.700 176.486 1.214 18255
2689 1 7 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.482 -0.782 18255
2690 1 7 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.965 0.135 18255
2691 1 7 . 1 1 14 14 ALA H H 14 8.260 8.260 8.268 -0.008 18255
2692 1 7 . 1 1 15 15 GLN N N 15 119.100 119.100 115.371 3.729 18255
2693 1 7 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.256 0.104 18255
2694 1 7 . 1 1 15 15 GLN C C 15 176.200 176.200 176.078 0.122 18255
2695 1 7 . 1 1 15 15 GLN CA C 15 55.900 55.900 56.471 -0.570 18255
2696 1 7 . 1 1 15 15 GLN CB C 15 29.300 29.300 26.538 2.762 18255
2697 1 7 . 1 1 15 15 GLN H H 15 8.340 8.340 8.210 0.130 18255
2698 1 7 . 1 1 16 16 THR N N 16 114.600 114.600 112.307 2.293 18255
2699 1 7 . 1 1 16 16 THR HA H 16 4.320 4.320 4.431 -0.111 18255
2700 1 7 . 1 1 16 16 THR C C 16 174.300 174.300 175.113 -0.813 18255
2701 1 7 . 1 1 16 16 THR CA C 16 61.900 61.900 62.770 -0.870 18255
2702 1 7 . 1 1 16 16 THR CB C 16 69.700 69.700 69.898 -0.198 18255
2703 1 7 . 1 1 16 16 THR H H 16 8.160 8.160 8.773 -0.613 18255
2704 1 7 . 1 1 17 17 GLN N N 17 122.200 122.200 118.985 3.215 18255
2705 1 7 . 1 1 17 17 GLN C C 17 175.800 175.800 175.819 -0.019 18255
2706 1 7 . 1 1 17 17 GLN CA C 17 55.900 55.900 56.634 -0.734 18255
2707 1 7 . 1 1 17 17 GLN CB C 17 29.600 29.600 25.776 3.825 18255
2708 1 7 . 1 1 17 17 GLN H H 17 8.410 8.410 8.350 0.060 18255
2709 1 7 . 1 1 18 18 GLY N N 18 110.100 110.100 109.190 0.910 18255
2710 1 7 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.089 0.511 18255
2711 1 7 . 1 1 18 18 GLY H H 18 8.340 8.340 7.817 0.523 18255
2712 1 7 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.377 0.053 18255
2713 1 7 . 1 1 19 19 PRO C C 19 177.500 177.500 177.316 0.184 18255
2714 1 7 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.260 0.240 18255
2715 1 7 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.525 -0.425 18255
2716 1 7 . 1 1 20 20 GLY N N 20 109.600 109.600 109.136 0.464 18255
2717 1 7 . 1 1 20 20 GLY C C 20 174.000 174.000 174.208 -0.208 18255
2718 1 7 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.279 -0.079 18255
2719 1 7 . 1 1 20 20 GLY H H 20 8.620 8.620 8.518 0.102 18255
2720 1 7 . 1 1 21 21 SER N N 21 115.300 115.300 114.898 0.402 18255
2721 1 7 . 1 1 21 21 SER HA H 21 4.460 4.460 4.332 0.128 18255
2722 1 7 . 1 1 21 21 SER C C 21 174.700 174.700 175.561 -0.861 18255
2723 1 7 . 1 1 21 21 SER CA C 21 58.400 58.400 58.141 0.259 18255
2724 1 7 . 1 1 21 21 SER CB C 21 64.000 64.000 64.308 -0.308 18255
2725 1 7 . 1 1 21 21 SER H H 21 8.240 8.240 8.015 0.225 18255
2726 1 7 . 1 1 22 22 MET N N 22 122.000 122.000 116.894 5.106 18255
2727 1 7 . 1 1 22 22 MET HA H 22 4.530 4.530 4.137 0.393 18255
2728 1 7 . 1 1 22 22 MET C C 22 176.000 176.000 175.112 0.888 18255
2729 1 7 . 1 1 22 22 MET CA C 22 55.700 55.700 56.647 -0.947 18255
2730 1 7 . 1 1 22 22 MET CB C 22 32.600 32.600 31.364 1.236 18255
2731 1 7 . 1 1 22 22 MET H H 22 8.570 8.570 8.492 0.078 18255
2732 1 7 . 1 1 23 23 ASP N N 23 120.600 120.600 116.563 4.037 18255
2733 1 7 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.732 -0.102 18255
2734 1 7 . 1 1 23 23 ASP C C 23 175.700 175.700 174.518 1.182 18255
2735 1 7 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.546 1.254 18255
2736 1 7 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.349 -1.349 18255
2737 1 7 . 1 1 23 23 ASP H H 23 8.330 8.330 7.674 0.656 18255
2738 1 7 . 1 1 24 24 ASP N N 24 119.800 119.800 119.695 0.105 18255
2739 1 7 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.627 0.033 18255
2740 1 7 . 1 1 24 24 ASP C C 24 175.800 175.800 175.479 0.321 18255
2741 1 7 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.516 -0.416 18255
2742 1 7 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.768 -1.468 18255
2743 1 7 . 1 1 24 24 ASP H H 24 8.250 8.250 8.462 -0.212 18255
2744 1 7 . 1 1 25 25 GLU N N 25 120.600 120.600 122.573 -1.973 18255
2745 1 7 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.432 -0.212 18255
2746 1 7 . 1 1 25 25 GLU C C 25 175.200 175.200 175.977 -0.777 18255
2747 1 7 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.007 0.393 18255
2748 1 7 . 1 1 25 25 GLU CB C 25 30.500 30.500 28.915 1.585 18255
2749 1 7 . 1 1 25 25 GLU H H 25 8.190 8.190 8.300 -0.110 18255
2750 1 7 . 1 1 26 26 LEU N N 26 121.500 121.500 124.888 -3.388 18255
2751 1 7 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.391 0.149 18255
2752 1 7 . 1 1 26 26 LEU C C 26 175.200 175.200 176.567 -1.367 18255
2753 1 7 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.389 -0.390 18255
2754 1 7 . 1 1 26 26 LEU CB C 26 43.700 43.700 43.031 0.669 18255
2755 1 7 . 1 1 26 26 LEU H H 26 8.270 8.270 8.129 0.141 18255
2756 1 7 . 1 1 27 27 TYR N N 27 119.400 119.400 116.924 2.476 18255
2757 1 7 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.044 -0.074 18255
2758 1 7 . 1 1 27 27 TYR C C 27 173.100 173.100 175.323 -2.223 18255
2759 1 7 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.684 0.016 18255
2760 1 7 . 1 1 27 27 TYR CB C 27 43.900 43.900 41.476 2.424 18255
2761 1 7 . 1 1 27 27 TYR H H 27 9.250 9.250 8.647 0.603 18255
2762 1 7 . 1 1 28 28 PHE N N 28 114.700 114.700 119.445 -4.745 18255
2763 1 7 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.831 0.239 18255
2764 1 7 . 1 1 28 28 PHE C C 28 178.100 178.100 174.833 3.267 18255
2765 1 7 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.644 0.456 18255
2766 1 7 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.279 -0.779 18255
2767 1 7 . 1 1 28 28 PHE H H 28 9.510 9.510 9.286 0.224 18255
2768 1 7 . 1 1 29 29 VAL N N 29 121.100 121.100 120.375 0.725 18255
2769 1 7 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.777 -0.297 18255
2770 1 7 . 1 1 29 29 VAL C C 29 175.200 175.200 174.934 0.266 18255
2771 1 7 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.282 1.718 18255
2772 1 7 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.648 -0.748 18255
2773 1 7 . 1 1 29 29 VAL H H 29 9.110 9.110 8.731 0.379 18255
2774 1 7 . 1 1 30 30 VAL N N 30 119.800 119.800 119.396 0.404 18255
2775 1 7 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.538 0.012 18255
2776 1 7 . 1 1 30 30 VAL C C 30 173.800 173.800 173.822 -0.022 18255
2777 1 7 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.905 -0.905 18255
2778 1 7 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.199 -0.099 18255
2779 1 7 . 1 1 30 30 VAL H H 30 8.890 8.890 9.224 -0.334 18255
2780 1 7 . 1 1 31 31 ARG N N 31 119.700 119.700 117.470 2.230 18255
2781 1 7 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.759 0.431 18255
2782 1 7 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.282 -1.782 18255
2783 1 7 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.305 0.795 18255
2784 1 7 . 1 1 31 31 ARG H H 31 8.980 8.980 9.100 -0.120 18255
2785 1 7 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.689 -0.449 18255
2786 1 7 . 1 1 32 32 ASN C C 32 176.600 176.600 174.786 1.814 18255
2787 1 7 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.947 -3.247 18255
2788 1 7 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.538 -3.838 18255
2789 1 7 . 1 1 33 33 ASN N N 33 114.800 114.800 119.927 -5.127 18255
2790 1 7 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.316 -0.026 18255
2791 1 7 . 1 1 33 33 ASN C C 33 175.600 175.600 175.116 0.484 18255
2792 1 7 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.274 0.226 18255
2793 1 7 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.915 -0.115 18255
2794 1 7 . 1 1 33 33 ASN H H 33 7.760 7.760 8.950 -1.190 18255
2795 1 7 . 1 1 34 34 GLU N N 34 116.900 116.900 117.250 -0.350 18255
2796 1 7 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.375 -0.065 18255
2797 1 7 . 1 1 34 34 GLU C C 34 176.200 176.200 177.339 -1.139 18255
2798 1 7 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.506 -0.606 18255
2799 1 7 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.056 -0.556 18255
2800 1 7 . 1 1 34 34 GLU H H 34 7.340 7.340 7.954 -0.614 18255
2801 1 7 . 1 1 35 35 GLY N N 35 107.000 107.000 108.092 -1.092 18255
2802 1 7 . 1 1 35 35 GLY C C 35 173.400 173.400 174.570 -1.170 18255
2803 1 7 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.481 -0.081 18255
2804 1 7 . 1 1 35 35 GLY H H 35 7.720 7.720 8.586 -0.866 18255
2805 1 7 . 1 1 36 36 GLN N N 36 117.700 117.700 120.138 -2.438 18255
2806 1 7 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.713 0.567 18255
2807 1 7 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.301 -0.801 18255
2808 1 7 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.895 -0.395 18255
2809 1 7 . 1 1 36 36 GLN H H 36 7.570 7.570 7.812 -0.242 18255
2810 1 7 . 1 1 37 37 TYR C C 37 176.300 176.300 175.617 0.683 18255
2811 1 7 . 1 1 37 37 TYR CA C 37 57.500 57.500 56.978 0.521 18255
2812 1 7 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.346 2.454 18255
2813 1 7 . 1 1 38 38 SER N N 38 114.700 114.700 116.941 -2.241 18255
2814 1 7 . 1 1 38 38 SER HA H 38 5.770 5.770 4.879 0.891 18255
2815 1 7 . 1 1 38 38 SER C C 38 173.100 173.100 173.128 -0.028 18255
2816 1 7 . 1 1 38 38 SER CA C 38 57.300 57.300 56.992 0.308 18255
2817 1 7 . 1 1 38 38 SER CB C 38 64.400 64.400 66.772 -2.372 18255
2818 1 7 . 1 1 38 38 SER H H 38 9.230 9.230 8.924 0.306 18255
2819 1 7 . 1 1 39 39 VAL N N 39 114.000 114.000 116.768 -2.768 18255
2820 1 7 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.263 0.437 18255
2821 1 7 . 1 1 39 39 VAL C C 39 175.200 175.200 174.937 0.263 18255
2822 1 7 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.904 -1.004 18255
2823 1 7 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.442 -0.642 18255
2824 1 7 . 1 1 39 39 VAL H H 39 8.430 8.430 8.401 0.029 18255
2825 1 7 . 1 1 40 40 TRP N N 40 126.600 126.600 126.725 -0.125 18255
2826 1 7 . 1 1 40 40 TRP C C 40 174.000 174.000 173.904 0.096 18255
2827 1 7 . 1 1 40 40 TRP CA C 40 56.500 56.500 55.847 0.653 18255
2828 1 7 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.474 2.226 18255
2829 1 7 . 1 1 40 40 TRP H H 40 9.590 9.590 9.302 0.288 18255
2830 1 7 . 1 1 41 41 MET N N 41 127.700 127.700 125.699 2.001 18255
2831 1 7 . 1 1 41 41 MET HA H 41 3.470 3.470 3.003 0.467 18255
2832 1 7 . 1 1 41 41 MET C C 41 175.000 175.000 174.776 0.224 18255
2833 1 7 . 1 1 41 41 MET CA C 41 56.900 56.900 55.800 1.100 18255
2834 1 7 . 1 1 41 41 MET CB C 41 33.800 33.800 32.515 1.285 18255
2835 1 7 . 1 1 41 41 MET H H 41 7.860 7.860 7.827 0.033 18255
2836 1 7 . 1 1 42 42 ASP N N 42 123.400 123.400 127.607 -4.207 18255
2837 1 7 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.507 0.013 18255
2838 1 7 . 1 1 42 42 ASP C C 42 176.800 176.800 177.401 -0.601 18255
2839 1 7 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.075 -0.575 18255
2840 1 7 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.470 0.030 18255
2841 1 7 . 1 1 42 42 ASP H H 42 8.290 8.290 8.053 0.237 18255
2842 1 7 . 1 1 43 43 GLY N N 43 113.300 113.300 113.674 -0.374 18255
2843 1 7 . 1 1 43 43 GLY C C 43 174.000 174.000 174.269 -0.269 18255
2844 1 7 . 1 1 43 43 GLY CA C 43 45.300 45.300 44.948 0.352 18255
2845 1 7 . 1 1 43 43 GLY H H 43 8.350 8.350 8.545 -0.195 18255
2846 1 7 . 1 1 44 44 ARG N N 44 119.600 119.600 124.387 -4.787 18255
2847 1 7 . 1 1 44 44 ARG C C 44 176.600 176.600 175.963 0.637 18255
2848 1 7 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.804 -1.004 18255
2849 1 7 . 1 1 44 44 ARG CB C 44 31.500 31.500 30.032 1.468 18255
2850 1 7 . 1 1 44 44 ARG H H 44 7.560 7.560 7.718 -0.158 18255
2851 1 7 . 1 1 45 45 SER N N 45 121.000 121.000 121.109 -0.109 18255
2852 1 7 . 1 1 45 45 SER HA H 45 4.310 4.310 4.420 -0.110 18255
2853 1 7 . 1 1 45 45 SER C C 45 174.300 174.300 174.902 -0.602 18255
2854 1 7 . 1 1 45 45 SER CA C 45 59.400 59.400 58.461 0.939 18255
2855 1 7 . 1 1 45 45 SER CB C 45 63.200 63.200 63.551 -0.351 18255
2856 1 7 . 1 1 45 45 SER H H 45 8.830 8.830 8.512 0.318 18255
2857 1 7 . 1 1 46 46 LEU N N 46 127.900 127.900 126.884 1.016 18255
2858 1 7 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.378 -0.528 18255
2859 1 7 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.458 0.542 18255
2860 1 7 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.680 0.520 18255
2861 1 7 . 1 1 46 46 LEU H H 46 8.610 8.610 8.182 0.428 18255
2862 1 7 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.494 -0.314 18255
2863 1 7 . 1 1 47 47 PRO C C 47 175.700 175.700 175.952 -0.252 18255
2864 1 7 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.151 -0.351 18255
2865 1 7 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.338 -1.238 18255
2866 1 7 . 1 1 48 48 ALA N N 48 123.600 123.600 123.720 -0.120 18255
2867 1 7 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.219 -0.119 18255
2868 1 7 . 1 1 48 48 ALA C C 48 178.800 178.800 178.330 0.470 18255
2869 1 7 . 1 1 48 48 ALA CA C 48 53.500 53.500 54.045 -0.546 18255
2870 1 7 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.015 -0.815 18255
2871 1 7 . 1 1 48 48 ALA H H 48 8.260 8.260 8.179 0.081 18255
2872 1 7 . 1 1 49 49 GLY N N 49 110.200 110.200 111.518 -1.318 18255
2873 1 7 . 1 1 49 49 GLY C C 49 173.800 173.800 174.236 -0.436 18255
2874 1 7 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.492 0.607 18255
2875 1 7 . 1 1 49 49 GLY H H 49 8.720 8.720 8.221 0.499 18255
2876 1 7 . 1 1 50 50 TRP N N 50 119.900 119.900 122.834 -2.934 18255
2877 1 7 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.793 -0.122 18255
2878 1 7 . 1 1 50 50 TRP C C 50 174.900 174.900 176.512 -1.612 18255
2879 1 7 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.553 -1.353 18255
2880 1 7 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.901 0.499 18255
2881 1 7 . 1 1 50 50 TRP H H 50 7.640 7.640 7.984 -0.344 18255
2882 1 7 . 1 1 51 51 GLU N N 51 118.200 118.200 123.681 -5.481 18255
2883 1 7 . 1 1 51 51 GLU C C 51 175.400 175.400 175.643 -0.243 18255
2884 1 7 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.741 -0.441 18255
2885 1 7 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.855 0.745 18255
2886 1 7 . 1 1 51 51 GLU H H 51 8.650 8.650 9.306 -0.656 18255
2887 1 7 . 1 1 52 52 THR N N 52 112.200 112.200 113.657 -1.457 18255
2888 1 7 . 1 1 52 52 THR C C 52 174.800 174.800 174.520 0.280 18255
2889 1 7 . 1 1 52 52 THR CA C 52 62.000 62.000 60.659 1.341 18255
2890 1 7 . 1 1 52 52 THR CB C 52 70.000 70.000 70.492 -0.492 18255
2891 1 7 . 1 1 52 52 THR H H 52 8.450 8.450 8.296 0.154 18255
2892 1 7 . 1 1 53 53 VAL N N 53 122.300 122.300 116.623 5.677 18255
2893 1 7 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.401 -0.131 18255
2894 1 7 . 1 1 53 53 VAL C C 53 176.200 176.200 174.777 1.423 18255
2895 1 7 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.577 0.723 18255
2896 1 7 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.908 -1.909 18255
2897 1 7 . 1 1 53 53 VAL H H 53 8.800 8.800 8.649 0.151 18255
2898 1 7 . 1 1 54 54 GLY N N 54 115.400 115.400 109.425 5.975 18255
2899 1 7 . 1 1 54 54 GLY C C 54 173.100 173.100 173.870 -0.770 18255
2900 1 7 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.113 -0.213 18255
2901 1 7 . 1 1 54 54 GLY H H 54 8.830 8.830 8.308 0.522 18255
2902 1 7 . 1 1 55 55 GLU N N 55 119.000 119.000 121.835 -2.835 18255
2903 1 7 . 1 1 55 55 GLU HA H 55 4.720 4.720 5.028 -0.308 18255
2904 1 7 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.525 -1.925 18255
2905 1 7 . 1 1 55 55 GLU H H 55 8.390 8.390 8.534 -0.144 18255
2906 1 7 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.103 0.317 18255
2907 1 7 . 1 1 56 56 PRO C C 56 176.200 176.200 175.676 0.524 18255
2908 1 7 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.194 0.706 18255
2909 1 7 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.867 -0.367 18255
2910 1 7 . 1 1 57 57 ALA N N 57 124.300 124.300 126.014 -1.714 18255
2911 1 7 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.508 0.122 18255
2912 1 7 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.791 -0.491 18255
2913 1 7 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.458 0.742 18255
2914 1 7 . 1 1 57 57 ALA H H 57 9.580 9.580 8.556 1.024 18255
2915 1 7 . 1 1 58 58 THR N N 58 108.700 108.700 115.654 -6.954 18255
2916 1 7 . 1 1 58 58 THR C C 58 175.700 175.700 176.085 -0.385 18255
2917 1 7 . 1 1 58 58 THR CA C 58 62.200 62.200 62.190 0.011 18255
2918 1 7 . 1 1 58 58 THR CB C 58 70.600 70.600 70.011 0.589 18255
2919 1 7 . 1 1 58 58 THR H H 58 8.070 8.070 8.539 -0.469 18255
2920 1 7 . 1 1 59 59 LYS N N 59 123.400 123.400 124.057 -0.657 18255
2921 1 7 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.393 -0.223 18255
2922 1 7 . 1 1 59 59 LYS C C 59 178.100 178.100 178.374 -0.274 18255
2923 1 7 . 1 1 59 59 LYS CA C 59 61.300 61.300 60.247 1.053 18255
2924 1 7 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.796 -0.096 18255
2925 1 7 . 1 1 59 59 LYS H H 59 9.420 9.420 8.621 0.799 18255
2926 1 7 . 1 1 60 60 GLN N N 60 114.800 114.800 117.688 -2.888 18255
2927 1 7 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.953 -0.083 18255
2928 1 7 . 1 1 60 60 GLN C C 60 178.600 178.600 178.460 0.140 18255
2929 1 7 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.168 0.032 18255
2930 1 7 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.248 -0.148 18255
2931 1 7 . 1 1 60 60 GLN H H 60 8.610 8.610 8.508 0.102 18255
2932 1 7 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.080 -0.050 18255
2933 1 7 . 1 1 61 61 GLN C C 61 179.700 179.700 178.606 1.094 18255
2934 1 7 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.380 0.520 18255
2935 1 7 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.691 0.009 18255
2936 1 7 . 1 1 61 61 GLN H H 61 7.690 7.690 7.864 -0.174 18255
2937 1 7 . 1 1 62 62 CYS N N 62 118.800 118.800 119.886 -1.086 18255
2938 1 7 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.111 -0.221 18255
2939 1 7 . 1 1 62 62 CYS C C 62 176.400 176.400 176.658 -0.258 18255
2940 1 7 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.114 0.686 18255
2941 1 7 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.787 -0.587 18255
2942 1 7 . 1 1 62 62 CYS H H 62 8.460 8.460 8.596 -0.136 18255
2943 1 7 . 1 1 63 63 LEU N N 63 119.200 119.200 119.921 -0.721 18255
2944 1 7 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.081 -0.191 18255
2945 1 7 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.210 -0.110 18255
2946 1 7 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.528 0.372 18255
2947 1 7 . 1 1 63 63 LEU H H 63 8.350 8.350 8.364 -0.014 18255
2948 1 7 . 1 1 64 64 GLN N N 64 119.000 119.000 119.593 -0.593 18255
2949 1 7 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.881 0.149 18255
2950 1 7 . 1 1 64 64 GLN C C 64 178.400 178.400 178.222 0.178 18255
2951 1 7 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.272 -0.672 18255
2952 1 7 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.469 -0.169 18255
2953 1 7 . 1 1 64 64 GLN H H 64 7.910 7.910 8.204 -0.294 18255
2954 1 7 . 1 1 65 65 ARG N N 65 120.000 120.000 119.926 0.074 18255
2955 1 7 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.117 -0.117 18255
2956 1 7 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.599 -0.299 18255
2957 1 7 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.089 -0.189 18255
2958 1 7 . 1 1 65 65 ARG H H 65 7.940 7.940 8.046 -0.106 18255
2959 1 7 . 1 1 66 66 ILE HA H 66 3.370 3.370 4.153 -0.783 18255
2960 1 7 . 1 1 66 66 ILE C C 66 176.700 176.700 177.818 -1.118 18255
2961 1 7 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.016 1.484 18255
2962 1 7 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.634 0.266 18255
2963 1 7 . 1 1 67 67 GLU N N 67 118.400 118.400 121.222 -2.822 18255
2964 1 7 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.122 -0.172 18255
2965 1 7 . 1 1 67 67 GLU C C 67 178.600 178.600 179.071 -0.471 18255
2966 1 7 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.642 0.658 18255
2967 1 7 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.108 0.192 18255
2968 1 7 . 1 1 67 67 GLU H H 67 7.600 7.600 8.473 -0.873 18255
2969 1 7 . 1 1 68 68 GLN N N 68 116.400 116.400 116.005 0.395 18255
2970 1 7 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.222 -0.102 18255
2971 1 7 . 1 1 68 68 GLN C C 68 177.400 177.400 177.192 0.208 18255
2972 1 7 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.476 1.124 18255
2973 1 7 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.258 0.343 18255
2974 1 7 . 1 1 68 68 GLN H H 68 7.620 7.620 7.926 -0.306 18255
2975 1 7 . 1 1 69 69 LEU N N 69 120.000 120.000 118.639 1.361 18255
2976 1 7 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.410 -0.320 18255
2977 1 7 . 1 1 69 69 LEU C C 69 176.600 176.600 178.155 -1.555 18255
2978 1 7 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.533 0.267 18255
2979 1 7 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.822 -0.922 18255
2980 1 7 . 1 1 69 69 LEU H H 69 7.900 7.900 7.616 0.284 18255
2981 1 7 . 1 1 70 70 TRP N N 70 119.200 119.200 117.559 1.641 18255
2982 1 7 . 1 1 70 70 TRP C C 70 177.100 177.100 179.132 -2.032 18255
2983 1 7 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.623 -1.623 18255
2984 1 7 . 1 1 70 70 TRP CB C 70 29.300 29.300 29.724 -0.424 18255
2985 1 7 . 1 1 70 70 TRP H H 70 8.120 8.120 8.274 -0.154 18255
2986 1 7 . 1 1 71 71 THR N N 71 114.500 114.500 114.709 -0.209 18255
2987 1 7 . 1 1 71 71 THR HA H 71 4.160 4.160 4.156 0.004 18255
2988 1 7 . 1 1 71 71 THR C C 71 174.700 174.700 175.130 -0.430 18255
2989 1 7 . 1 1 71 71 THR CA C 71 63.700 63.700 65.181 -1.481 18255
2990 1 7 . 1 1 71 71 THR CB C 71 69.500 69.500 68.521 0.979 18255
2991 1 7 . 1 1 71 71 THR H H 71 7.960 7.960 7.700 0.260 18255
2992 1 7 . 1 1 72 72 ASP N N 72 120.700 120.700 120.059 0.641 18255
2993 1 7 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.307 0.253 18255
2994 1 7 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.103 -1.103 18255
2995 1 7 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.488 0.312 18255
2996 1 7 . 1 1 72 72 ASP H H 72 8.140 8.140 7.946 0.194 18255
2997 1 7 . 1 1 74 74 VAL N N 74 121.700 121.700 125.653 -3.953 18255
2998 1 7 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.458 -0.118 18255
2999 1 7 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.553 1.547 18255
3000 1 7 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.608 -1.108 18255
3001 1 7 . 1 1 74 74 VAL H H 74 7.950 7.950 8.162 -0.212 18255
3002 1 7 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.614 -0.234 18255
3003 1 7 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.335 0.965 18255
3004 1 7 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.599 -0.399 18255
3005 1 7 . 1 1 76 76 ALA N N 76 124.200 124.200 121.156 3.044 18255
3006 1 7 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.072 0.068 18255
3007 1 7 . 1 1 76 76 ALA C C 76 178.400 178.400 179.846 -1.446 18255
3008 1 7 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.705 -0.905 18255
3009 1 7 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.172 0.529 18255
3010 1 7 . 1 1 76 76 ALA H H 76 8.600 8.600 8.469 0.131 18255
3011 1 7 . 1 1 77 77 SER N N 77 112.900 112.900 114.614 -1.714 18255
3012 1 7 . 1 1 77 77 SER HA H 77 4.340 4.340 4.269 0.071 18255
3013 1 7 . 1 1 77 77 SER C C 77 175.200 175.200 176.456 -1.256 18255
3014 1 7 . 1 1 77 77 SER CA C 77 59.200 59.200 60.971 -1.770 18255
3015 1 7 . 1 1 77 77 SER CB C 77 63.200 63.200 62.854 0.346 18255
3016 1 7 . 1 1 77 77 SER H H 77 8.310 8.310 8.163 0.147 18255
3017 1 7 . 1 1 78 78 VAL N N 78 121.700 121.700 121.413 0.287 18255
3018 1 7 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.730 0.290 18255
3019 1 7 . 1 1 78 78 VAL C C 78 176.600 176.600 177.262 -0.662 18255
3020 1 7 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.691 -2.291 18255
3021 1 7 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.630 0.670 18255
3022 1 7 . 1 1 78 78 VAL H H 78 7.810 7.810 8.183 -0.373 18255
3023 1 7 . 1 1 79 79 ARG N N 79 121.900 121.900 118.811 3.089 18255
3024 1 7 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.081 0.079 18255
3025 1 7 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.605 -2.305 18255
3026 1 7 . 1 1 79 79 ARG CB C 79 30.500 30.500 30.047 0.453 18255
3027 1 7 . 1 1 79 79 ARG H H 79 8.100 8.100 7.904 0.196 18255
3028 1 7 . 1 1 80 80 GLU N N 80 119.600 119.600 119.979 -0.379 18255
3029 1 7 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.336 0.664 18255
3030 1 7 . 1 1 80 80 GLU H H 80 8.260 8.260 7.871 0.389 18255
3031 1 7 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.420 0.130 18255
3032 1 7 . 1 1 81 81 HIS C C 81 175.600 175.600 176.188 -0.588 18255
3033 1 7 . 1 1 81 81 HIS CA C 81 56.200 56.200 59.033 -2.833 18255
3034 1 7 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.205 0.195 18255
3035 1 7 . 1 1 82 82 LEU N N 82 121.500 121.500 120.095 1.405 18255
3036 1 7 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.459 -0.199 18255
3037 1 7 . 1 1 82 82 LEU C C 82 177.200 177.200 177.296 -0.096 18255
3038 1 7 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.486 0.114 18255
3039 1 7 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.669 -0.569 18255
3040 1 7 . 1 1 82 82 LEU H H 82 8.120 8.120 7.276 0.844 18255
3041 1 7 . 1 1 83 83 ASN N N 83 118.300 118.300 119.340 -1.040 18255
3042 1 7 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.523 0.117 18255
3043 1 7 . 1 1 83 83 ASN CA C 83 53.500 53.500 54.253 -0.753 18255
3044 1 7 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.339 0.261 18255
3045 1 7 . 1 1 83 83 ASN H H 83 8.400 8.400 8.203 0.197 18255
3046 1 7 . 1 1 85 85 HIS C C 85 174.900 174.900 175.545 -0.645 18255
3047 1 7 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.715 1.585 18255
3048 1 7 . 1 1 85 85 HIS CB C 85 30.600 30.600 29.871 0.729 18255
3049 1 7 . 1 1 86 86 SER N N 86 116.700 116.700 119.762 -3.062 18255
3050 1 7 . 1 1 86 86 SER C C 86 174.100 174.100 174.854 -0.754 18255
3051 1 7 . 1 1 86 86 SER CA C 86 58.400 58.400 59.706 -1.306 18255
3052 1 7 . 1 1 86 86 SER CB C 86 64.300 64.300 62.648 1.652 18255
3053 1 7 . 1 1 86 86 SER H H 86 8.220 8.220 8.594 -0.374 18255
3054 1 7 . 1 1 87 87 GLY N N 87 110.400 110.400 111.288 -0.888 18255
3055 1 7 . 1 1 87 87 GLY CA C 87 44.500 44.500 43.947 0.553 18255
3056 1 7 . 1 1 87 87 GLY H H 87 8.310 8.310 7.918 0.392 18255
3057 1 7 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.438 -0.068 18255
3058 1 7 . 1 1 88 88 PRO C C 88 177.400 177.400 176.618 0.782 18255
3059 1 7 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.160 1.040 18255
3060 1 7 . 1 1 88 88 PRO CB C 88 32.000 32.000 31.998 0.001 18255
3061 1 7 . 1 1 89 89 GLY N N 89 109.300 109.300 113.846 -4.546 18255
3062 1 7 . 1 1 89 89 GLY C C 89 173.800 173.800 174.049 -0.249 18255
3063 1 7 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.557 0.643 18255
3064 1 7 . 1 1 89 89 GLY H H 89 8.500 8.500 8.437 0.063 18255
3065 1 7 . 1 1 90 90 ILE N N 90 119.600 119.600 114.582 5.018 18255
3066 1 7 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.918 -0.838 18255
3067 1 7 . 1 1 90 90 ILE C C 90 175.400 175.400 174.662 0.738 18255
3068 1 7 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.057 0.943 18255
3069 1 7 . 1 1 90 90 ILE CB C 90 38.900 38.900 39.211 -0.311 18255
3070 1 7 . 1 1 90 90 ILE H H 90 7.910 7.910 7.068 0.842 18255
3071 1 7 . 1 1 91 91 ASP N N 91 123.400 123.400 119.902 3.498 18255
3072 1 7 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.653 -0.083 18255
3073 1 7 . 1 1 91 91 ASP C C 91 175.700 175.700 175.518 0.182 18255
3074 1 7 . 1 1 91 91 ASP CA C 91 53.900 53.900 52.177 1.723 18255
3075 1 7 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.782 -2.682 18255
3076 1 7 . 1 1 91 91 ASP H H 91 8.350 8.350 8.297 0.053 18255
3077 1 7 . 1 1 92 92 TYR N N 92 120.800 120.800 120.674 0.126 18255
3078 1 7 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.533 -0.073 18255
3079 1 7 . 1 1 92 92 TYR C C 92 175.200 175.200 175.463 -0.263 18255
3080 1 7 . 1 1 92 92 TYR CA C 92 58.000 58.000 58.400 -0.400 18255
3081 1 7 . 1 1 92 92 TYR CB C 92 38.600 38.600 36.637 1.963 18255
3082 1 7 . 1 1 92 92 TYR H H 92 8.050 8.050 8.563 -0.513 18255
3083 1 7 . 1 1 93 93 ALA N N 93 124.700 124.700 125.899 -1.199 18255
3084 1 7 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.480 -0.180 18255
3085 1 7 . 1 1 93 93 ALA C C 93 177.100 177.100 176.530 0.570 18255
3086 1 7 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.760 1.640 18255
3087 1 7 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.603 -1.303 18255
3088 1 7 . 1 1 93 93 ALA H H 93 8.170 8.170 7.993 0.177 18255
3089 1 7 . 1 1 94 94 VAL N N 94 119.400 119.400 119.864 -0.464 18255
3090 1 7 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.936 0.114 18255
3091 1 7 . 1 1 94 94 VAL C C 94 175.100 175.100 176.174 -1.074 18255
3092 1 7 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.485 -0.085 18255
3093 1 7 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.309 -0.009 18255
3094 1 7 . 1 1 94 94 VAL H H 94 8.000 8.000 8.344 -0.344 18255
3095 1 8 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.147 -0.187 18255
3096 1 8 . 1 1 2 2 ALA CA C 2 51.700 51.700 53.890 -2.190 18255
3097 1 8 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.335 1.365 18255
3098 1 8 . 1 1 8 8 HIS C C 8 175.200 175.200 175.299 -0.099 18255
3099 1 8 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.844 -0.244 18255
3100 1 8 . 1 1 8 8 HIS CB C 8 30.800 30.800 31.070 -0.270 18255
3101 1 8 . 1 1 9 9 MET N N 9 121.800 121.800 119.141 2.659 18255
3102 1 8 . 1 1 9 9 MET C C 9 176.400 176.400 174.613 1.787 18255
3103 1 8 . 1 1 9 9 MET CA C 9 55.800 55.800 55.936 -0.136 18255
3104 1 8 . 1 1 9 9 MET CB C 9 32.800 32.800 32.800 0.000 18255
3105 1 8 . 1 1 9 9 MET H H 9 8.470 8.470 8.149 0.321 18255
3106 1 8 . 1 1 10 10 GLY N N 10 109.800 109.800 112.014 -2.214 18255
3107 1 8 . 1 1 10 10 GLY C C 10 174.100 174.100 174.028 0.072 18255
3108 1 8 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.354 -0.054 18255
3109 1 8 . 1 1 10 10 GLY H H 10 8.490 8.490 8.648 -0.158 18255
3110 1 8 . 1 1 11 11 THR N N 11 113.600 113.600 115.777 -2.177 18255
3111 1 8 . 1 1 11 11 THR HA H 11 3.710 3.710 4.466 -0.756 18255
3112 1 8 . 1 1 11 11 THR C C 11 174.600 174.600 175.054 -0.454 18255
3113 1 8 . 1 1 11 11 THR CA C 11 62.400 62.400 61.733 0.668 18255
3114 1 8 . 1 1 11 11 THR CB C 11 70.100 70.100 70.021 0.079 18255
3115 1 8 . 1 1 11 11 THR H H 11 8.100 8.100 8.035 0.065 18255
3116 1 8 . 1 1 12 12 LEU N N 12 123.900 123.900 124.691 -0.791 18255
3117 1 8 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.351 -0.051 18255
3118 1 8 . 1 1 12 12 LEU C C 12 177.400 177.400 177.187 0.213 18255
3119 1 8 . 1 1 12 12 LEU CA C 12 55.600 55.600 56.871 -1.271 18255
3120 1 8 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.090 0.010 18255
3121 1 8 . 1 1 12 12 LEU H H 12 8.350 8.350 8.627 -0.277 18255
3122 1 8 . 1 1 13 13 GLU N N 13 121.300 121.300 117.612 3.688 18255
3123 1 8 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.678 -0.488 18255
3124 1 8 . 1 1 13 13 GLU C C 13 176.200 176.200 175.360 0.840 18255
3125 1 8 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.263 1.637 18255
3126 1 8 . 1 1 13 13 GLU CB C 13 30.000 30.000 32.488 -2.488 18255
3127 1 8 . 1 1 13 13 GLU H H 13 8.420 8.420 8.183 0.237 18255
3128 1 8 . 1 1 14 14 ALA N N 14 124.100 124.100 120.752 3.348 18255
3129 1 8 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.668 -0.408 18255
3130 1 8 . 1 1 14 14 ALA C C 14 177.700 177.700 176.115 1.585 18255
3131 1 8 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.766 0.934 18255
3132 1 8 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.504 -1.404 18255
3133 1 8 . 1 1 14 14 ALA H H 14 8.260 8.260 8.151 0.109 18255
3134 1 8 . 1 1 15 15 GLN N N 15 119.100 119.100 120.341 -1.241 18255
3135 1 8 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.458 -0.098 18255
3136 1 8 . 1 1 15 15 GLN C C 15 176.200 176.200 175.513 0.687 18255
3137 1 8 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.241 0.659 18255
3138 1 8 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.739 1.561 18255
3139 1 8 . 1 1 15 15 GLN H H 15 8.340 8.340 8.493 -0.153 18255
3140 1 8 . 1 1 16 16 THR N N 16 114.600 114.600 116.156 -1.556 18255
3141 1 8 . 1 1 16 16 THR HA H 16 4.320 4.320 4.179 0.141 18255
3142 1 8 . 1 1 16 16 THR C C 16 174.300 174.300 174.511 -0.211 18255
3143 1 8 . 1 1 16 16 THR CA C 16 61.900 61.900 62.245 -0.345 18255
3144 1 8 . 1 1 16 16 THR CB C 16 69.700 69.700 68.532 1.168 18255
3145 1 8 . 1 1 16 16 THR H H 16 8.160 8.160 8.259 -0.099 18255
3146 1 8 . 1 1 17 17 GLN N N 17 122.200 122.200 125.468 -3.268 18255
3147 1 8 . 1 1 17 17 GLN C C 17 175.800 175.800 174.770 1.030 18255
3148 1 8 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.234 1.666 18255
3149 1 8 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.321 -1.721 18255
3150 1 8 . 1 1 17 17 GLN H H 17 8.410 8.410 8.238 0.172 18255
3151 1 8 . 1 1 18 18 GLY N N 18 110.100 110.100 106.401 3.699 18255
3152 1 8 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.335 0.265 18255
3153 1 8 . 1 1 18 18 GLY H H 18 8.340 8.340 8.287 0.053 18255
3154 1 8 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.395 0.035 18255
3155 1 8 . 1 1 19 19 PRO C C 19 177.500 177.500 177.335 0.165 18255
3156 1 8 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.952 0.548 18255
3157 1 8 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.659 0.441 18255
3158 1 8 . 1 1 20 20 GLY N N 20 109.600 109.600 112.967 -3.367 18255
3159 1 8 . 1 1 20 20 GLY C C 20 174.000 174.000 174.004 -0.004 18255
3160 1 8 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.605 0.595 18255
3161 1 8 . 1 1 20 20 GLY H H 20 8.620 8.620 8.597 0.023 18255
3162 1 8 . 1 1 21 21 SER N N 21 115.300 115.300 119.457 -4.157 18255
3163 1 8 . 1 1 21 21 SER HA H 21 4.460 4.460 4.374 0.086 18255
3164 1 8 . 1 1 21 21 SER C C 21 174.700 174.700 175.441 -0.741 18255
3165 1 8 . 1 1 21 21 SER CA C 21 58.400 58.400 57.812 0.588 18255
3166 1 8 . 1 1 21 21 SER CB C 21 64.000 64.000 63.175 0.825 18255
3167 1 8 . 1 1 21 21 SER H H 21 8.240 8.240 8.199 0.041 18255
3168 1 8 . 1 1 22 22 MET N N 22 122.000 122.000 125.504 -3.504 18255
3169 1 8 . 1 1 22 22 MET HA H 22 4.530 4.530 4.807 -0.277 18255
3170 1 8 . 1 1 22 22 MET C C 22 176.000 176.000 175.685 0.315 18255
3171 1 8 . 1 1 22 22 MET CA C 22 55.700 55.700 54.138 1.562 18255
3172 1 8 . 1 1 22 22 MET CB C 22 32.600 32.600 31.161 1.439 18255
3173 1 8 . 1 1 22 22 MET H H 22 8.570 8.570 8.168 0.402 18255
3174 1 8 . 1 1 23 23 ASP N N 23 120.600 120.600 121.312 -0.712 18255
3175 1 8 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.471 0.159 18255
3176 1 8 . 1 1 23 23 ASP C C 23 175.700 175.700 176.396 -0.696 18255
3177 1 8 . 1 1 23 23 ASP CA C 23 54.800 54.800 56.667 -1.867 18255
3178 1 8 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.037 -0.037 18255
3179 1 8 . 1 1 23 23 ASP H H 23 8.330 8.330 8.100 0.230 18255
3180 1 8 . 1 1 24 24 ASP N N 24 119.800 119.800 117.766 2.034 18255
3181 1 8 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.908 -0.248 18255
3182 1 8 . 1 1 24 24 ASP C C 24 175.800 175.800 175.735 0.065 18255
3183 1 8 . 1 1 24 24 ASP CA C 24 54.100 54.100 52.643 1.457 18255
3184 1 8 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.883 -1.583 18255
3185 1 8 . 1 1 24 24 ASP H H 24 8.250 8.250 7.786 0.464 18255
3186 1 8 . 1 1 25 25 GLU N N 25 120.600 120.600 123.143 -2.543 18255
3187 1 8 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.310 -0.090 18255
3188 1 8 . 1 1 25 25 GLU C C 25 175.200 175.200 176.304 -1.104 18255
3189 1 8 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.489 -0.089 18255
3190 1 8 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.520 -0.020 18255
3191 1 8 . 1 1 25 25 GLU H H 25 8.190 8.190 8.670 -0.480 18255
3192 1 8 . 1 1 26 26 LEU N N 26 121.500 121.500 119.767 1.733 18255
3193 1 8 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.151 0.389 18255
3194 1 8 . 1 1 26 26 LEU C C 26 175.200 175.200 176.316 -1.116 18255
3195 1 8 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.350 -1.350 18255
3196 1 8 . 1 1 26 26 LEU CB C 26 43.700 43.700 40.855 2.845 18255
3197 1 8 . 1 1 26 26 LEU H H 26 8.270 8.270 8.474 -0.204 18255
3198 1 8 . 1 1 27 27 TYR N N 27 119.400 119.400 119.039 0.361 18255
3199 1 8 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.253 -0.283 18255
3200 1 8 . 1 1 27 27 TYR C C 27 173.100 173.100 174.990 -1.890 18255
3201 1 8 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.938 -0.238 18255
3202 1 8 . 1 1 27 27 TYR CB C 27 43.900 43.900 43.110 0.790 18255
3203 1 8 . 1 1 27 27 TYR H H 27 9.250 9.250 8.893 0.357 18255
3204 1 8 . 1 1 28 28 PHE N N 28 114.700 114.700 119.521 -4.821 18255
3205 1 8 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.835 0.235 18255
3206 1 8 . 1 1 28 28 PHE C C 28 178.100 178.100 174.226 3.874 18255
3207 1 8 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.216 0.884 18255
3208 1 8 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.703 -1.203 18255
3209 1 8 . 1 1 28 28 PHE H H 28 9.510 9.510 9.336 0.174 18255
3210 1 8 . 1 1 29 29 VAL N N 29 121.100 121.100 123.160 -2.060 18255
3211 1 8 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.673 -0.193 18255
3212 1 8 . 1 1 29 29 VAL C C 29 175.200 175.200 174.879 0.321 18255
3213 1 8 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.418 1.582 18255
3214 1 8 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.089 -0.189 18255
3215 1 8 . 1 1 29 29 VAL H H 29 9.110 9.110 8.766 0.344 18255
3216 1 8 . 1 1 30 30 VAL N N 30 119.800 119.800 122.195 -2.395 18255
3217 1 8 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.521 0.029 18255
3218 1 8 . 1 1 30 30 VAL C C 30 173.800 173.800 174.065 -0.265 18255
3219 1 8 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.043 -1.043 18255
3220 1 8 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.431 -0.331 18255
3221 1 8 . 1 1 30 30 VAL H H 30 8.890 8.890 9.144 -0.254 18255
3222 1 8 . 1 1 31 31 ARG N N 31 119.700 119.700 116.655 3.045 18255
3223 1 8 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.768 0.422 18255
3224 1 8 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.204 -1.704 18255
3225 1 8 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.148 0.952 18255
3226 1 8 . 1 1 31 31 ARG H H 31 8.980 8.980 8.993 -0.013 18255
3227 1 8 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.788 -0.548 18255
3228 1 8 . 1 1 32 32 ASN C C 32 176.600 176.600 174.751 1.849 18255
3229 1 8 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.542 -2.842 18255
3230 1 8 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.453 -3.753 18255
3231 1 8 . 1 1 33 33 ASN N N 33 114.800 114.800 119.818 -5.018 18255
3232 1 8 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.294 -0.004 18255
3233 1 8 . 1 1 33 33 ASN C C 33 175.600 175.600 175.125 0.475 18255
3234 1 8 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.194 0.306 18255
3235 1 8 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.947 -0.147 18255
3236 1 8 . 1 1 33 33 ASN H H 33 7.760 7.760 8.913 -1.153 18255
3237 1 8 . 1 1 34 34 GLU N N 34 116.900 116.900 117.130 -0.230 18255
3238 1 8 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.331 -0.021 18255
3239 1 8 . 1 1 34 34 GLU C C 34 176.200 176.200 177.134 -0.934 18255
3240 1 8 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.434 -0.534 18255
3241 1 8 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.803 -0.303 18255
3242 1 8 . 1 1 34 34 GLU H H 34 7.340 7.340 8.020 -0.680 18255
3243 1 8 . 1 1 35 35 GLY N N 35 107.000 107.000 107.955 -0.955 18255
3244 1 8 . 1 1 35 35 GLY C C 35 173.400 173.400 173.793 -0.393 18255
3245 1 8 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.480 -0.080 18255
3246 1 8 . 1 1 35 35 GLY H H 35 7.720 7.720 8.454 -0.734 18255
3247 1 8 . 1 1 36 36 GLN N N 36 117.700 117.700 117.171 0.529 18255
3248 1 8 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.030 1.250 18255
3249 1 8 . 1 1 36 36 GLN CA C 36 54.500 54.500 53.948 0.552 18255
3250 1 8 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.180 -0.680 18255
3251 1 8 . 1 1 36 36 GLN H H 36 7.570 7.570 7.310 0.260 18255
3252 1 8 . 1 1 37 37 TYR C C 37 176.300 176.300 175.149 1.151 18255
3253 1 8 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.706 -0.206 18255
3254 1 8 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.026 2.774 18255
3255 1 8 . 1 1 38 38 SER N N 38 114.700 114.700 116.552 -1.852 18255
3256 1 8 . 1 1 38 38 SER HA H 38 5.770 5.770 4.908 0.862 18255
3257 1 8 . 1 1 38 38 SER C C 38 173.100 173.100 172.734 0.366 18255
3258 1 8 . 1 1 38 38 SER CA C 38 57.300 57.300 57.224 0.076 18255
3259 1 8 . 1 1 38 38 SER CB C 38 64.400 64.400 66.462 -2.062 18255
3260 1 8 . 1 1 38 38 SER H H 38 9.230 9.230 8.950 0.280 18255
3261 1 8 . 1 1 39 39 VAL N N 39 114.000 114.000 116.406 -2.406 18255
3262 1 8 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.314 0.387 18255
3263 1 8 . 1 1 39 39 VAL C C 39 175.200 175.200 174.518 0.682 18255
3264 1 8 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.428 -0.528 18255
3265 1 8 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.937 -1.137 18255
3266 1 8 . 1 1 39 39 VAL H H 39 8.430 8.430 8.555 -0.125 18255
3267 1 8 . 1 1 40 40 TRP N N 40 126.600 126.600 125.950 0.650 18255
3268 1 8 . 1 1 40 40 TRP C C 40 174.000 174.000 173.961 0.039 18255
3269 1 8 . 1 1 40 40 TRP CA C 40 56.500 56.500 55.984 0.516 18255
3270 1 8 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.980 1.720 18255
3271 1 8 . 1 1 40 40 TRP H H 40 9.590 9.590 9.423 0.167 18255
3272 1 8 . 1 1 41 41 MET N N 41 127.700 127.700 125.750 1.950 18255
3273 1 8 . 1 1 41 41 MET HA H 41 3.470 3.470 3.579 -0.109 18255
3274 1 8 . 1 1 41 41 MET C C 41 175.000 175.000 174.776 0.224 18255
3275 1 8 . 1 1 41 41 MET CA C 41 56.900 56.900 55.014 1.886 18255
3276 1 8 . 1 1 41 41 MET CB C 41 33.800 33.800 33.386 0.414 18255
3277 1 8 . 1 1 41 41 MET H H 41 7.860 7.860 7.803 0.057 18255
3278 1 8 . 1 1 42 42 ASP N N 42 123.400 123.400 125.899 -2.499 18255
3279 1 8 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.401 0.119 18255
3280 1 8 . 1 1 42 42 ASP C C 42 176.800 176.800 177.323 -0.523 18255
3281 1 8 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.066 -0.566 18255
3282 1 8 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.961 -0.461 18255
3283 1 8 . 1 1 42 42 ASP H H 42 8.290 8.290 8.311 -0.021 18255
3284 1 8 . 1 1 43 43 GLY N N 43 113.300 113.300 108.887 4.413 18255
3285 1 8 . 1 1 43 43 GLY C C 43 174.000 174.000 173.454 0.546 18255
3286 1 8 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.271 0.029 18255
3287 1 8 . 1 1 43 43 GLY H H 43 8.350 8.350 8.676 -0.326 18255
3288 1 8 . 1 1 44 44 ARG N N 44 119.600 119.600 118.555 1.045 18255
3289 1 8 . 1 1 44 44 ARG C C 44 176.600 176.600 175.002 1.598 18255
3290 1 8 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.492 0.308 18255
3291 1 8 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.939 -0.439 18255
3292 1 8 . 1 1 44 44 ARG H H 44 7.560 7.560 8.131 -0.571 18255
3293 1 8 . 1 1 45 45 SER N N 45 121.000 121.000 119.829 1.171 18255
3294 1 8 . 1 1 45 45 SER HA H 45 4.310 4.310 4.844 -0.534 18255
3295 1 8 . 1 1 45 45 SER C C 45 174.300 174.300 174.266 0.034 18255
3296 1 8 . 1 1 45 45 SER CA C 45 59.400 59.400 57.784 1.616 18255
3297 1 8 . 1 1 45 45 SER CB C 45 63.200 63.200 64.251 -1.051 18255
3298 1 8 . 1 1 45 45 SER H H 45 8.830 8.830 8.568 0.262 18255
3299 1 8 . 1 1 46 46 LEU N N 46 127.900 127.900 123.739 4.161 18255
3300 1 8 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.300 -0.450 18255
3301 1 8 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.356 0.644 18255
3302 1 8 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.799 0.401 18255
3303 1 8 . 1 1 46 46 LEU H H 46 8.610 8.610 8.290 0.320 18255
3304 1 8 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.504 -0.324 18255
3305 1 8 . 1 1 47 47 PRO C C 47 175.700 175.700 175.952 -0.252 18255
3306 1 8 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.066 -0.266 18255
3307 1 8 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.332 -1.232 18255
3308 1 8 . 1 1 48 48 ALA N N 48 123.600 123.600 123.046 0.554 18255
3309 1 8 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.186 -0.086 18255
3310 1 8 . 1 1 48 48 ALA C C 48 178.800 178.800 178.347 0.453 18255
3311 1 8 . 1 1 48 48 ALA CA C 48 53.500 53.500 54.090 -0.590 18255
3312 1 8 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.050 -0.850 18255
3313 1 8 . 1 1 48 48 ALA H H 48 8.260 8.260 8.205 0.055 18255
3314 1 8 . 1 1 49 49 GLY N N 49 110.200 110.200 111.032 -0.832 18255
3315 1 8 . 1 1 49 49 GLY C C 49 173.800 173.800 174.334 -0.534 18255
3316 1 8 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.534 0.566 18255
3317 1 8 . 1 1 49 49 GLY H H 49 8.720 8.720 8.223 0.497 18255
3318 1 8 . 1 1 50 50 TRP N N 50 119.900 119.900 122.394 -2.494 18255
3319 1 8 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.895 -0.225 18255
3320 1 8 . 1 1 50 50 TRP C C 50 174.900 174.900 175.921 -1.021 18255
3321 1 8 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.197 -0.996 18255
3322 1 8 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.350 0.050 18255
3323 1 8 . 1 1 50 50 TRP H H 50 7.640 7.640 7.944 -0.304 18255
3324 1 8 . 1 1 51 51 GLU N N 51 118.200 118.200 121.688 -3.488 18255
3325 1 8 . 1 1 51 51 GLU C C 51 175.400 175.400 175.522 -0.122 18255
3326 1 8 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.607 -0.307 18255
3327 1 8 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.824 0.776 18255
3328 1 8 . 1 1 51 51 GLU H H 51 8.650 8.650 9.146 -0.496 18255
3329 1 8 . 1 1 52 52 THR N N 52 112.200 112.200 113.385 -1.185 18255
3330 1 8 . 1 1 52 52 THR C C 52 174.800 174.800 174.265 0.535 18255
3331 1 8 . 1 1 52 52 THR CA C 52 62.000 62.000 60.396 1.604 18255
3332 1 8 . 1 1 52 52 THR CB C 52 70.000 70.000 71.384 -1.384 18255
3333 1 8 . 1 1 52 52 THR H H 52 8.450 8.450 8.285 0.165 18255
3334 1 8 . 1 1 53 53 VAL N N 53 122.300 122.300 112.783 9.517 18255
3335 1 8 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.284 -0.014 18255
3336 1 8 . 1 1 53 53 VAL C C 53 176.200 176.200 174.675 1.525 18255
3337 1 8 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.545 -0.245 18255
3338 1 8 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.754 -1.754 18255
3339 1 8 . 1 1 53 53 VAL H H 53 8.800 8.800 8.724 0.076 18255
3340 1 8 . 1 1 54 54 GLY N N 54 115.400 115.400 111.018 4.382 18255
3341 1 8 . 1 1 54 54 GLY C C 54 173.100 173.100 173.015 0.085 18255
3342 1 8 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.031 -0.131 18255
3343 1 8 . 1 1 54 54 GLY H H 54 8.830 8.830 8.363 0.467 18255
3344 1 8 . 1 1 55 55 GLU N N 55 119.000 119.000 122.768 -3.768 18255
3345 1 8 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.895 -0.175 18255
3346 1 8 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.694 -2.094 18255
3347 1 8 . 1 1 55 55 GLU H H 55 8.390 8.390 8.362 0.028 18255
3348 1 8 . 1 1 56 56 PRO HA H 56 4.420 4.420 3.943 0.477 18255
3349 1 8 . 1 1 56 56 PRO C C 56 176.200 176.200 175.857 0.343 18255
3350 1 8 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.774 0.126 18255
3351 1 8 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.198 0.302 18255
3352 1 8 . 1 1 57 57 ALA N N 57 124.300 124.300 128.158 -3.858 18255
3353 1 8 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.552 0.078 18255
3354 1 8 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.298 0.002 18255
3355 1 8 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.688 0.512 18255
3356 1 8 . 1 1 57 57 ALA H H 57 9.580 9.580 8.504 1.076 18255
3357 1 8 . 1 1 58 58 THR N N 58 108.700 108.700 115.416 -6.716 18255
3358 1 8 . 1 1 58 58 THR C C 58 175.700 175.700 176.570 -0.870 18255
3359 1 8 . 1 1 58 58 THR CA C 58 62.200 62.200 62.565 -0.365 18255
3360 1 8 . 1 1 58 58 THR CB C 58 70.600 70.600 69.826 0.774 18255
3361 1 8 . 1 1 58 58 THR H H 58 8.070 8.070 8.339 -0.269 18255
3362 1 8 . 1 1 59 59 LYS N N 59 123.400 123.400 126.365 -2.965 18255
3363 1 8 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.424 -0.254 18255
3364 1 8 . 1 1 59 59 LYS C C 59 178.100 178.100 178.301 -0.201 18255
3365 1 8 . 1 1 59 59 LYS CA C 59 61.300 61.300 60.079 1.221 18255
3366 1 8 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.761 -0.061 18255
3367 1 8 . 1 1 59 59 LYS H H 59 9.420 9.420 8.762 0.658 18255
3368 1 8 . 1 1 60 60 GLN N N 60 114.800 114.800 117.952 -3.152 18255
3369 1 8 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.927 -0.057 18255
3370 1 8 . 1 1 60 60 GLN C C 60 178.600 178.600 178.648 -0.048 18255
3371 1 8 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.016 0.184 18255
3372 1 8 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.318 -0.218 18255
3373 1 8 . 1 1 60 60 GLN H H 60 8.610 8.610 8.213 0.397 18255
3374 1 8 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.103 -0.073 18255
3375 1 8 . 1 1 61 61 GLN C C 61 179.700 179.700 178.396 1.304 18255
3376 1 8 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.263 0.637 18255
3377 1 8 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.349 0.351 18255
3378 1 8 . 1 1 61 61 GLN H H 61 7.690 7.690 7.952 -0.262 18255
3379 1 8 . 1 1 62 62 CYS N N 62 118.800 118.800 119.999 -1.199 18255
3380 1 8 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.098 -0.208 18255
3381 1 8 . 1 1 62 62 CYS C C 62 176.400 176.400 176.789 -0.389 18255
3382 1 8 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.003 0.797 18255
3383 1 8 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.694 -0.494 18255
3384 1 8 . 1 1 62 62 CYS H H 62 8.460 8.460 8.363 0.097 18255
3385 1 8 . 1 1 63 63 LEU N N 63 119.200 119.200 119.466 -0.266 18255
3386 1 8 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.095 -0.205 18255
3387 1 8 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.044 0.056 18255
3388 1 8 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.588 0.312 18255
3389 1 8 . 1 1 63 63 LEU H H 63 8.350 8.350 8.472 -0.122 18255
3390 1 8 . 1 1 64 64 GLN N N 64 119.000 119.000 120.133 -1.133 18255
3391 1 8 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.799 0.231 18255
3392 1 8 . 1 1 64 64 GLN C C 64 178.400 178.400 177.781 0.619 18255
3393 1 8 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.367 -0.767 18255
3394 1 8 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.454 -0.154 18255
3395 1 8 . 1 1 64 64 GLN H H 64 7.910 7.910 7.726 0.184 18255
3396 1 8 . 1 1 65 65 ARG N N 65 120.000 120.000 119.841 0.159 18255
3397 1 8 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.007 -0.007 18255
3398 1 8 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.480 -0.180 18255
3399 1 8 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.105 -0.205 18255
3400 1 8 . 1 1 65 65 ARG H H 65 7.940 7.940 7.963 -0.023 18255
3401 1 8 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.785 -0.415 18255
3402 1 8 . 1 1 66 66 ILE C C 66 176.700 176.700 177.802 -1.102 18255
3403 1 8 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.559 0.941 18255
3404 1 8 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.526 0.374 18255
3405 1 8 . 1 1 67 67 GLU N N 67 118.400 118.400 120.594 -2.194 18255
3406 1 8 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.132 -0.182 18255
3407 1 8 . 1 1 67 67 GLU C C 67 178.600 178.600 179.322 -0.722 18255
3408 1 8 . 1 1 67 67 GLU CA C 67 59.300 59.300 59.131 0.169 18255
3409 1 8 . 1 1 67 67 GLU CB C 67 29.300 29.300 28.827 0.473 18255
3410 1 8 . 1 1 67 67 GLU H H 67 7.600 7.600 8.414 -0.814 18255
3411 1 8 . 1 1 68 68 GLN N N 68 116.400 116.400 115.457 0.943 18255
3412 1 8 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.115 0.005 18255
3413 1 8 . 1 1 68 68 GLN C C 68 177.400 177.400 177.288 0.112 18255
3414 1 8 . 1 1 68 68 GLN CA C 68 57.600 57.600 57.031 0.569 18255
3415 1 8 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.739 -0.139 18255
3416 1 8 . 1 1 68 68 GLN H H 68 7.620 7.620 8.244 -0.624 18255
3417 1 8 . 1 1 69 69 LEU N N 69 120.000 120.000 117.259 2.741 18255
3418 1 8 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.390 -0.300 18255
3419 1 8 . 1 1 69 69 LEU C C 69 176.600 176.600 177.700 -1.100 18255
3420 1 8 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.232 0.568 18255
3421 1 8 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.370 -0.470 18255
3422 1 8 . 1 1 69 69 LEU H H 69 7.900 7.900 7.233 0.667 18255
3423 1 8 . 1 1 70 70 TRP N N 70 119.200 119.200 119.418 -0.218 18255
3424 1 8 . 1 1 70 70 TRP C C 70 177.100 177.100 177.434 -0.334 18255
3425 1 8 . 1 1 70 70 TRP CA C 70 58.000 58.000 58.948 -0.948 18255
3426 1 8 . 1 1 70 70 TRP CB C 70 29.300 29.300 32.224 -2.924 18255
3427 1 8 . 1 1 70 70 TRP H H 70 8.120 8.120 8.287 -0.167 18255
3428 1 8 . 1 1 71 71 THR N N 71 114.500 114.500 113.886 0.614 18255
3429 1 8 . 1 1 71 71 THR HA H 71 4.160 4.160 4.252 -0.092 18255
3430 1 8 . 1 1 71 71 THR C C 71 174.700 174.700 174.826 -0.126 18255
3431 1 8 . 1 1 71 71 THR CA C 71 63.700 63.700 64.758 -1.058 18255
3432 1 8 . 1 1 71 71 THR CB C 71 69.500 69.500 68.480 1.020 18255
3433 1 8 . 1 1 71 71 THR H H 71 7.960 7.960 7.990 -0.030 18255
3434 1 8 . 1 1 72 72 ASP N N 72 120.700 120.700 120.309 0.391 18255
3435 1 8 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.755 -0.195 18255
3436 1 8 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.431 -1.431 18255
3437 1 8 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.938 -0.138 18255
3438 1 8 . 1 1 72 72 ASP H H 72 8.140 8.140 8.159 -0.019 18255
3439 1 8 . 1 1 74 74 VAL N N 74 121.700 121.700 126.280 -4.580 18255
3440 1 8 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.606 -0.266 18255
3441 1 8 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.307 1.793 18255
3442 1 8 . 1 1 74 74 VAL CB C 74 32.500 32.500 35.097 -2.597 18255
3443 1 8 . 1 1 74 74 VAL H H 74 7.950 7.950 8.585 -0.635 18255
3444 1 8 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.841 -0.461 18255
3445 1 8 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.268 1.032 18255
3446 1 8 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.809 -0.609 18255
3447 1 8 . 1 1 76 76 ALA N N 76 124.200 124.200 120.520 3.680 18255
3448 1 8 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.063 0.077 18255
3449 1 8 . 1 1 76 76 ALA C C 76 178.400 178.400 179.768 -1.368 18255
3450 1 8 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.293 -0.493 18255
3451 1 8 . 1 1 76 76 ALA CB C 76 18.700 18.700 17.937 0.763 18255
3452 1 8 . 1 1 76 76 ALA H H 76 8.600 8.600 8.291 0.309 18255
3453 1 8 . 1 1 77 77 SER N N 77 112.900 112.900 113.552 -0.652 18255
3454 1 8 . 1 1 77 77 SER HA H 77 4.340 4.340 4.056 0.284 18255
3455 1 8 . 1 1 77 77 SER C C 77 175.200 175.200 176.159 -0.959 18255
3456 1 8 . 1 1 77 77 SER CA C 77 59.200 59.200 60.093 -0.893 18255
3457 1 8 . 1 1 77 77 SER CB C 77 63.200 63.200 62.736 0.464 18255
3458 1 8 . 1 1 77 77 SER H H 77 8.310 8.310 8.155 0.155 18255
3459 1 8 . 1 1 78 78 VAL N N 78 121.700 121.700 121.661 0.039 18255
3460 1 8 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.659 0.361 18255
3461 1 8 . 1 1 78 78 VAL C C 78 176.600 176.600 176.773 -0.173 18255
3462 1 8 . 1 1 78 78 VAL CA C 78 63.400 63.400 66.058 -2.658 18255
3463 1 8 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.803 0.497 18255
3464 1 8 . 1 1 78 78 VAL H H 78 7.810 7.810 7.549 0.261 18255
3465 1 8 . 1 1 79 79 ARG N N 79 121.900 121.900 116.801 5.099 18255
3466 1 8 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.177 -0.017 18255
3467 1 8 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.716 -1.416 18255
3468 1 8 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.547 0.953 18255
3469 1 8 . 1 1 79 79 ARG H H 79 8.100 8.100 7.575 0.525 18255
3470 1 8 . 1 1 80 80 GLU N N 80 119.600 119.600 117.241 2.359 18255
3471 1 8 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.333 0.667 18255
3472 1 8 . 1 1 80 80 GLU H H 80 8.260 8.260 7.575 0.685 18255
3473 1 8 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.585 -0.035 18255
3474 1 8 . 1 1 81 81 HIS C C 81 175.600 175.600 176.062 -0.462 18255
3475 1 8 . 1 1 81 81 HIS CA C 81 56.200 56.200 56.375 -0.175 18255
3476 1 8 . 1 1 81 81 HIS CB C 81 30.400 30.400 31.963 -1.563 18255
3477 1 8 . 1 1 82 82 LEU N N 82 121.500 121.500 119.196 2.304 18255
3478 1 8 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.403 -0.143 18255
3479 1 8 . 1 1 82 82 LEU C C 82 177.200 177.200 176.163 1.037 18255
3480 1 8 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.402 1.198 18255
3481 1 8 . 1 1 82 82 LEU CB C 82 42.100 42.100 43.069 -0.969 18255
3482 1 8 . 1 1 82 82 LEU H H 82 8.120 8.120 8.193 -0.073 18255
3483 1 8 . 1 1 83 83 ASN N N 83 118.300 118.300 116.480 1.820 18255
3484 1 8 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.820 -0.180 18255
3485 1 8 . 1 1 83 83 ASN CA C 83 53.500 53.500 54.378 -0.878 18255
3486 1 8 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.890 -1.290 18255
3487 1 8 . 1 1 83 83 ASN H H 83 8.400 8.400 8.380 0.020 18255
3488 1 8 . 1 1 85 85 HIS C C 85 174.900 174.900 175.745 -0.845 18255
3489 1 8 . 1 1 85 85 HIS CA C 85 56.300 56.300 57.842 -1.542 18255
3490 1 8 . 1 1 85 85 HIS CB C 85 30.600 30.600 29.614 0.986 18255
3491 1 8 . 1 1 86 86 SER N N 86 116.700 116.700 113.877 2.823 18255
3492 1 8 . 1 1 86 86 SER C C 86 174.100 174.100 175.089 -0.989 18255
3493 1 8 . 1 1 86 86 SER CA C 86 58.400 58.400 58.127 0.274 18255
3494 1 8 . 1 1 86 86 SER CB C 86 64.300 64.300 62.710 1.590 18255
3495 1 8 . 1 1 86 86 SER H H 86 8.220 8.220 7.846 0.374 18255
3496 1 8 . 1 1 87 87 GLY N N 87 110.400 110.400 110.969 -0.569 18255
3497 1 8 . 1 1 87 87 GLY CA C 87 44.500 44.500 43.424 1.076 18255
3498 1 8 . 1 1 87 87 GLY H H 87 8.310 8.310 7.507 0.803 18255
3499 1 8 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.416 -0.046 18255
3500 1 8 . 1 1 88 88 PRO C C 88 177.400 177.400 175.849 1.551 18255
3501 1 8 . 1 1 88 88 PRO CA C 88 63.200 63.200 63.311 -0.111 18255
3502 1 8 . 1 1 88 88 PRO CB C 88 32.000 32.000 30.444 1.556 18255
3503 1 8 . 1 1 89 89 GLY N N 89 109.300 109.300 107.563 1.737 18255
3504 1 8 . 1 1 89 89 GLY C C 89 173.800 173.800 173.946 -0.146 18255
3505 1 8 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.611 -0.411 18255
3506 1 8 . 1 1 89 89 GLY H H 89 8.500 8.500 8.057 0.443 18255
3507 1 8 . 1 1 90 90 ILE N N 90 119.600 119.600 120.389 -0.789 18255
3508 1 8 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.827 0.253 18255
3509 1 8 . 1 1 90 90 ILE C C 90 175.400 175.400 174.753 0.647 18255
3510 1 8 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.886 -0.886 18255
3511 1 8 . 1 1 90 90 ILE CB C 90 38.900 38.900 36.193 2.707 18255
3512 1 8 . 1 1 90 90 ILE H H 90 7.910 7.910 7.653 0.257 18255
3513 1 8 . 1 1 91 91 ASP N N 91 123.400 123.400 120.325 3.075 18255
3514 1 8 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.448 0.122 18255
3515 1 8 . 1 1 91 91 ASP C C 91 175.700 175.700 176.367 -0.667 18255
3516 1 8 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.048 0.852 18255
3517 1 8 . 1 1 91 91 ASP CB C 91 41.100 41.100 38.631 2.469 18255
3518 1 8 . 1 1 91 91 ASP H H 91 8.350 8.350 8.375 -0.025 18255
3519 1 8 . 1 1 92 92 TYR N N 92 120.800 120.800 117.770 3.030 18255
3520 1 8 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.564 -0.104 18255
3521 1 8 . 1 1 92 92 TYR C C 92 175.200 175.200 174.463 0.737 18255
3522 1 8 . 1 1 92 92 TYR CA C 92 58.000 58.000 55.230 2.770 18255
3523 1 8 . 1 1 92 92 TYR CB C 92 38.600 38.600 36.106 2.494 18255
3524 1 8 . 1 1 92 92 TYR H H 92 8.050 8.050 7.602 0.448 18255
3525 1 8 . 1 1 93 93 ALA N N 93 124.700 124.700 124.337 0.363 18255
3526 1 8 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.237 0.063 18255
3527 1 8 . 1 1 93 93 ALA C C 93 177.100 177.100 176.824 0.276 18255
3528 1 8 . 1 1 93 93 ALA CA C 93 52.400 52.400 52.275 0.125 18255
3529 1 8 . 1 1 93 93 ALA CB C 93 19.300 19.300 18.610 0.690 18255
3530 1 8 . 1 1 93 93 ALA H H 93 8.170 8.170 8.335 -0.165 18255
3531 1 8 . 1 1 94 94 VAL N N 94 119.400 119.400 124.601 -5.201 18255
3532 1 8 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.169 -0.119 18255
3533 1 8 . 1 1 94 94 VAL C C 94 175.100 175.100 175.534 -0.434 18255
3534 1 8 . 1 1 94 94 VAL CA C 94 62.400 62.400 60.751 1.649 18255
3535 1 8 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.353 -0.053 18255
3536 1 8 . 1 1 94 94 VAL H H 94 8.000 8.000 8.563 -0.563 18255
3537 1 9 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.328 -0.368 18255
3538 1 9 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.114 -0.414 18255
3539 1 9 . 1 1 2 2 ALA CB C 2 19.700 19.700 17.787 1.913 18255
3540 1 9 . 1 1 8 8 HIS C C 8 175.200 175.200 174.188 1.012 18255
3541 1 9 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.041 0.559 18255
3542 1 9 . 1 1 8 8 HIS CB C 8 30.800 30.800 28.075 2.725 18255
3543 1 9 . 1 1 9 9 MET N N 9 121.800 121.800 118.558 3.242 18255
3544 1 9 . 1 1 9 9 MET C C 9 176.400 176.400 176.280 0.120 18255
3545 1 9 . 1 1 9 9 MET CA C 9 55.800 55.800 53.872 1.928 18255
3546 1 9 . 1 1 9 9 MET CB C 9 32.800 32.800 35.529 -2.729 18255
3547 1 9 . 1 1 9 9 MET H H 9 8.470 8.470 7.753 0.717 18255
3548 1 9 . 1 1 10 10 GLY N N 10 109.800 109.800 107.973 1.827 18255
3549 1 9 . 1 1 10 10 GLY C C 10 174.100 174.100 175.148 -1.048 18255
3550 1 9 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.566 0.733 18255
3551 1 9 . 1 1 10 10 GLY H H 10 8.490 8.490 8.280 0.210 18255
3552 1 9 . 1 1 11 11 THR N N 11 113.600 113.600 114.098 -0.498 18255
3553 1 9 . 1 1 11 11 THR HA H 11 3.710 3.710 4.251 -0.541 18255
3554 1 9 . 1 1 11 11 THR C C 11 174.600 174.600 175.301 -0.701 18255
3555 1 9 . 1 1 11 11 THR CA C 11 62.400 62.400 64.537 -2.137 18255
3556 1 9 . 1 1 11 11 THR CB C 11 70.100 70.100 69.320 0.780 18255
3557 1 9 . 1 1 11 11 THR H H 11 8.100 8.100 8.567 -0.467 18255
3558 1 9 . 1 1 12 12 LEU N N 12 123.900 123.900 118.516 5.384 18255
3559 1 9 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.554 -0.254 18255
3560 1 9 . 1 1 12 12 LEU C C 12 177.400 177.400 175.848 1.552 18255
3561 1 9 . 1 1 12 12 LEU CA C 12 55.600 55.600 55.501 0.099 18255
3562 1 9 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.774 -0.674 18255
3563 1 9 . 1 1 12 12 LEU H H 12 8.350 8.350 7.568 0.782 18255
3564 1 9 . 1 1 13 13 GLU N N 13 121.300 121.300 119.785 1.515 18255
3565 1 9 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.369 -0.179 18255
3566 1 9 . 1 1 13 13 GLU C C 13 176.200 176.200 176.009 0.191 18255
3567 1 9 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.832 1.068 18255
3568 1 9 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.768 1.232 18255
3569 1 9 . 1 1 13 13 GLU H H 13 8.420 8.420 8.619 -0.199 18255
3570 1 9 . 1 1 14 14 ALA N N 14 124.100 124.100 123.509 0.591 18255
3571 1 9 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.184 0.076 18255
3572 1 9 . 1 1 14 14 ALA C C 14 177.700 177.700 176.658 1.042 18255
3573 1 9 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.989 -0.289 18255
3574 1 9 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.868 0.232 18255
3575 1 9 . 1 1 14 14 ALA H H 14 8.260 8.260 7.787 0.473 18255
3576 1 9 . 1 1 15 15 GLN N N 15 119.100 119.100 122.785 -3.685 18255
3577 1 9 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.560 -0.200 18255
3578 1 9 . 1 1 15 15 GLN C C 15 176.200 176.200 175.529 0.671 18255
3579 1 9 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.201 0.699 18255
3580 1 9 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.181 -0.881 18255
3581 1 9 . 1 1 15 15 GLN H H 15 8.340 8.340 8.209 0.131 18255
3582 1 9 . 1 1 16 16 THR N N 16 114.600 114.600 118.157 -3.557 18255
3583 1 9 . 1 1 16 16 THR HA H 16 4.320 4.320 4.164 0.156 18255
3584 1 9 . 1 1 16 16 THR C C 16 174.300 174.300 174.998 -0.698 18255
3585 1 9 . 1 1 16 16 THR CA C 16 61.900 61.900 64.814 -2.914 18255
3586 1 9 . 1 1 16 16 THR CB C 16 69.700 69.700 69.281 0.419 18255
3587 1 9 . 1 1 16 16 THR H H 16 8.160 8.160 8.539 -0.379 18255
3588 1 9 . 1 1 17 17 GLN N N 17 122.200 122.200 118.306 3.894 18255
3589 1 9 . 1 1 17 17 GLN C C 17 175.800 175.800 174.173 1.627 18255
3590 1 9 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.801 0.099 18255
3591 1 9 . 1 1 17 17 GLN CB C 17 29.600 29.600 30.738 -1.137 18255
3592 1 9 . 1 1 17 17 GLN H H 17 8.410 8.410 7.726 0.684 18255
3593 1 9 . 1 1 18 18 GLY N N 18 110.100 110.100 112.110 -2.010 18255
3594 1 9 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.044 0.556 18255
3595 1 9 . 1 1 18 18 GLY H H 18 8.340 8.340 8.444 -0.104 18255
3596 1 9 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.453 -0.023 18255
3597 1 9 . 1 1 19 19 PRO C C 19 177.500 177.500 177.317 0.183 18255
3598 1 9 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.836 0.664 18255
3599 1 9 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.225 -0.125 18255
3600 1 9 . 1 1 20 20 GLY N N 20 109.600 109.600 108.007 1.593 18255
3601 1 9 . 1 1 20 20 GLY C C 20 174.000 174.000 173.421 0.579 18255
3602 1 9 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.685 0.515 18255
3603 1 9 . 1 1 20 20 GLY H H 20 8.620 8.620 8.238 0.382 18255
3604 1 9 . 1 1 21 21 SER N N 21 115.300 115.300 116.514 -1.214 18255
3605 1 9 . 1 1 21 21 SER HA H 21 4.460 4.460 4.526 -0.066 18255
3606 1 9 . 1 1 21 21 SER C C 21 174.700 174.700 173.326 1.374 18255
3607 1 9 . 1 1 21 21 SER CA C 21 58.400 58.400 57.766 0.634 18255
3608 1 9 . 1 1 21 21 SER CB C 21 64.000 64.000 65.390 -1.390 18255
3609 1 9 . 1 1 21 21 SER H H 21 8.240 8.240 8.241 -0.001 18255
3610 1 9 . 1 1 22 22 MET N N 22 122.000 122.000 122.514 -0.514 18255
3611 1 9 . 1 1 22 22 MET HA H 22 4.530 4.530 4.620 -0.090 18255
3612 1 9 . 1 1 22 22 MET C C 22 176.000 176.000 175.302 0.698 18255
3613 1 9 . 1 1 22 22 MET CA C 22 55.700 55.700 55.394 0.306 18255
3614 1 9 . 1 1 22 22 MET CB C 22 32.600 32.600 33.116 -0.516 18255
3615 1 9 . 1 1 22 22 MET H H 22 8.570 8.570 9.028 -0.458 18255
3616 1 9 . 1 1 23 23 ASP N N 23 120.600 120.600 118.216 2.384 18255
3617 1 9 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.249 0.381 18255
3618 1 9 . 1 1 23 23 ASP C C 23 175.700 175.700 175.035 0.665 18255
3619 1 9 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.627 0.173 18255
3620 1 9 . 1 1 23 23 ASP CB C 23 41.000 41.000 39.887 1.113 18255
3621 1 9 . 1 1 23 23 ASP H H 23 8.330 8.330 8.601 -0.271 18255
3622 1 9 . 1 1 24 24 ASP N N 24 119.800 119.800 118.640 1.160 18255
3623 1 9 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.515 0.145 18255
3624 1 9 . 1 1 24 24 ASP C C 24 175.800 175.800 176.433 -0.633 18255
3625 1 9 . 1 1 24 24 ASP CA C 24 54.100 54.100 55.000 -0.900 18255
3626 1 9 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.540 -0.240 18255
3627 1 9 . 1 1 24 24 ASP H H 24 8.250 8.250 8.008 0.242 18255
3628 1 9 . 1 1 25 25 GLU N N 25 120.600 120.600 119.572 1.028 18255
3629 1 9 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.301 -0.081 18255
3630 1 9 . 1 1 25 25 GLU C C 25 175.200 175.200 176.040 -0.840 18255
3631 1 9 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.995 0.405 18255
3632 1 9 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.467 1.033 18255
3633 1 9 . 1 1 25 25 GLU H H 25 8.190 8.190 8.600 -0.410 18255
3634 1 9 . 1 1 26 26 LEU N N 26 121.500 121.500 125.451 -3.951 18255
3635 1 9 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.572 -0.032 18255
3636 1 9 . 1 1 26 26 LEU C C 26 175.200 175.200 176.366 -1.166 18255
3637 1 9 . 1 1 26 26 LEU CA C 26 54.000 54.000 53.852 0.148 18255
3638 1 9 . 1 1 26 26 LEU CB C 26 43.700 43.700 41.844 1.856 18255
3639 1 9 . 1 1 26 26 LEU H H 26 8.270 8.270 8.230 0.040 18255
3640 1 9 . 1 1 27 27 TYR N N 27 119.400 119.400 119.261 0.139 18255
3641 1 9 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.209 -0.239 18255
3642 1 9 . 1 1 27 27 TYR C C 27 173.100 173.100 175.837 -2.737 18255
3643 1 9 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.823 -0.123 18255
3644 1 9 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.697 1.203 18255
3645 1 9 . 1 1 27 27 TYR H H 27 9.250 9.250 8.973 0.277 18255
3646 1 9 . 1 1 28 28 PHE N N 28 114.700 114.700 120.826 -6.126 18255
3647 1 9 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.804 0.266 18255
3648 1 9 . 1 1 28 28 PHE C C 28 178.100 178.100 174.342 3.758 18255
3649 1 9 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.844 0.256 18255
3650 1 9 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.780 -1.280 18255
3651 1 9 . 1 1 28 28 PHE H H 28 9.510 9.510 9.418 0.092 18255
3652 1 9 . 1 1 29 29 VAL N N 29 121.100 121.100 123.437 -2.337 18255
3653 1 9 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.820 -0.340 18255
3654 1 9 . 1 1 29 29 VAL C C 29 175.200 175.200 175.078 0.122 18255
3655 1 9 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.275 1.725 18255
3656 1 9 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.767 0.133 18255
3657 1 9 . 1 1 29 29 VAL H H 29 9.110 9.110 8.832 0.278 18255
3658 1 9 . 1 1 30 30 VAL N N 30 119.800 119.800 123.759 -3.959 18255
3659 1 9 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.476 0.074 18255
3660 1 9 . 1 1 30 30 VAL C C 30 173.800 173.800 174.222 -0.422 18255
3661 1 9 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.056 -1.056 18255
3662 1 9 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.289 -0.189 18255
3663 1 9 . 1 1 30 30 VAL H H 30 8.890 8.890 9.170 -0.280 18255
3664 1 9 . 1 1 31 31 ARG N N 31 119.700 119.700 116.740 2.960 18255
3665 1 9 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.834 0.356 18255
3666 1 9 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.264 -1.764 18255
3667 1 9 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.116 0.984 18255
3668 1 9 . 1 1 31 31 ARG H H 31 8.980 8.980 9.078 -0.098 18255
3669 1 9 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.693 -0.453 18255
3670 1 9 . 1 1 32 32 ASN C C 32 176.600 176.600 174.686 1.914 18255
3671 1 9 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.706 -3.006 18255
3672 1 9 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.487 -3.787 18255
3673 1 9 . 1 1 33 33 ASN N N 33 114.800 114.800 119.787 -4.987 18255
3674 1 9 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.288 0.002 18255
3675 1 9 . 1 1 33 33 ASN C C 33 175.600 175.600 175.127 0.473 18255
3676 1 9 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.176 0.324 18255
3677 1 9 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.942 -0.142 18255
3678 1 9 . 1 1 33 33 ASN H H 33 7.760 7.760 8.900 -1.140 18255
3679 1 9 . 1 1 34 34 GLU N N 34 116.900 116.900 116.865 0.035 18255
3680 1 9 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.335 -0.025 18255
3681 1 9 . 1 1 34 34 GLU C C 34 176.200 176.200 177.180 -0.980 18255
3682 1 9 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.430 -0.530 18255
3683 1 9 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.866 -0.366 18255
3684 1 9 . 1 1 34 34 GLU H H 34 7.340 7.340 7.982 -0.642 18255
3685 1 9 . 1 1 35 35 GLY N N 35 107.000 107.000 108.045 -1.045 18255
3686 1 9 . 1 1 35 35 GLY C C 35 173.400 173.400 174.583 -1.183 18255
3687 1 9 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.757 -0.357 18255
3688 1 9 . 1 1 35 35 GLY H H 35 7.720 7.720 8.546 -0.826 18255
3689 1 9 . 1 1 36 36 GLN N N 36 117.700 117.700 120.443 -2.743 18255
3690 1 9 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.944 0.336 18255
3691 1 9 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.164 -0.664 18255
3692 1 9 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.596 -0.096 18255
3693 1 9 . 1 1 36 36 GLN H H 36 7.570 7.570 7.799 -0.229 18255
3694 1 9 . 1 1 37 37 TYR C C 37 176.300 176.300 175.954 0.346 18255
3695 1 9 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.501 -0.001 18255
3696 1 9 . 1 1 37 37 TYR CB C 37 42.800 42.800 41.033 1.766 18255
3697 1 9 . 1 1 38 38 SER N N 38 114.700 114.700 116.953 -2.253 18255
3698 1 9 . 1 1 38 38 SER HA H 38 5.770 5.770 4.974 0.796 18255
3699 1 9 . 1 1 38 38 SER C C 38 173.100 173.100 172.714 0.386 18255
3700 1 9 . 1 1 38 38 SER CA C 38 57.300 57.300 57.726 -0.426 18255
3701 1 9 . 1 1 38 38 SER CB C 38 64.400 64.400 66.170 -1.770 18255
3702 1 9 . 1 1 38 38 SER H H 38 9.230 9.230 8.985 0.245 18255
3703 1 9 . 1 1 39 39 VAL N N 39 114.000 114.000 116.839 -2.839 18255
3704 1 9 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.594 0.106 18255
3705 1 9 . 1 1 39 39 VAL C C 39 175.200 175.200 175.005 0.195 18255
3706 1 9 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.587 -0.688 18255
3707 1 9 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.323 -0.523 18255
3708 1 9 . 1 1 39 39 VAL H H 39 8.430 8.430 8.441 -0.011 18255
3709 1 9 . 1 1 40 40 TRP N N 40 126.600 126.600 127.634 -1.034 18255
3710 1 9 . 1 1 40 40 TRP C C 40 174.000 174.000 174.266 -0.266 18255
3711 1 9 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.322 0.178 18255
3712 1 9 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.111 2.589 18255
3713 1 9 . 1 1 40 40 TRP H H 40 9.590 9.590 9.114 0.476 18255
3714 1 9 . 1 1 41 41 MET N N 41 127.700 127.700 128.650 -0.950 18255
3715 1 9 . 1 1 41 41 MET HA H 41 3.470 3.470 3.730 -0.260 18255
3716 1 9 . 1 1 41 41 MET C C 41 175.000 175.000 175.298 -0.298 18255
3717 1 9 . 1 1 41 41 MET CA C 41 56.900 56.900 55.249 1.651 18255
3718 1 9 . 1 1 41 41 MET CB C 41 33.800 33.800 33.395 0.405 18255
3719 1 9 . 1 1 41 41 MET H H 41 7.860 7.860 8.156 -0.296 18255
3720 1 9 . 1 1 42 42 ASP N N 42 123.400 123.400 123.490 -0.090 18255
3721 1 9 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.050 0.470 18255
3722 1 9 . 1 1 42 42 ASP C C 42 176.800 176.800 176.844 -0.044 18255
3723 1 9 . 1 1 42 42 ASP CA C 42 55.500 55.500 54.104 1.396 18255
3724 1 9 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.675 -0.175 18255
3725 1 9 . 1 1 42 42 ASP H H 42 8.290 8.290 8.305 -0.015 18255
3726 1 9 . 1 1 43 43 GLY N N 43 113.300 113.300 105.494 7.806 18255
3727 1 9 . 1 1 43 43 GLY C C 43 174.000 174.000 174.652 -0.652 18255
3728 1 9 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.453 -0.153 18255
3729 1 9 . 1 1 43 43 GLY H H 43 8.350 8.350 8.589 -0.239 18255
3730 1 9 . 1 1 44 44 ARG N N 44 119.600 119.600 121.326 -1.726 18255
3731 1 9 . 1 1 44 44 ARG C C 44 176.600 176.600 175.357 1.243 18255
3732 1 9 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.945 -0.145 18255
3733 1 9 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.405 0.095 18255
3734 1 9 . 1 1 44 44 ARG H H 44 7.560 7.560 7.836 -0.276 18255
3735 1 9 . 1 1 45 45 SER N N 45 121.000 121.000 115.478 5.522 18255
3736 1 9 . 1 1 45 45 SER HA H 45 4.310 4.310 4.777 -0.467 18255
3737 1 9 . 1 1 45 45 SER C C 45 174.300 174.300 173.884 0.416 18255
3738 1 9 . 1 1 45 45 SER CA C 45 59.400 59.400 57.777 1.623 18255
3739 1 9 . 1 1 45 45 SER CB C 45 63.200 63.200 64.615 -1.415 18255
3740 1 9 . 1 1 45 45 SER H H 45 8.830 8.830 8.474 0.356 18255
3741 1 9 . 1 1 46 46 LEU N N 46 127.900 127.900 125.846 2.054 18255
3742 1 9 . 1 1 46 46 LEU HA H 46 3.850 3.850 3.896 -0.046 18255
3743 1 9 . 1 1 46 46 LEU CA C 46 53.000 53.000 53.522 -0.522 18255
3744 1 9 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.365 0.835 18255
3745 1 9 . 1 1 46 46 LEU H H 46 8.610 8.610 8.201 0.409 18255
3746 1 9 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.326 -0.146 18255
3747 1 9 . 1 1 47 47 PRO C C 47 175.700 175.700 176.345 -0.645 18255
3748 1 9 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.674 -0.874 18255
3749 1 9 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.339 -1.239 18255
3750 1 9 . 1 1 48 48 ALA N N 48 123.600 123.600 123.580 0.020 18255
3751 1 9 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.191 -0.091 18255
3752 1 9 . 1 1 48 48 ALA C C 48 178.800 178.800 178.603 0.197 18255
3753 1 9 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.811 -0.311 18255
3754 1 9 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.837 -0.637 18255
3755 1 9 . 1 1 48 48 ALA H H 48 8.260 8.260 8.247 0.013 18255
3756 1 9 . 1 1 49 49 GLY N N 49 110.200 110.200 112.151 -1.951 18255
3757 1 9 . 1 1 49 49 GLY C C 49 173.800 173.800 174.058 -0.258 18255
3758 1 9 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.598 0.502 18255
3759 1 9 . 1 1 49 49 GLY H H 49 8.720 8.720 8.346 0.374 18255
3760 1 9 . 1 1 50 50 TRP N N 50 119.900 119.900 121.778 -1.878 18255
3761 1 9 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.863 -0.193 18255
3762 1 9 . 1 1 50 50 TRP C C 50 174.900 174.900 176.410 -1.510 18255
3763 1 9 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.413 -1.213 18255
3764 1 9 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.343 0.057 18255
3765 1 9 . 1 1 50 50 TRP H H 50 7.640 7.640 7.937 -0.297 18255
3766 1 9 . 1 1 51 51 GLU N N 51 118.200 118.200 120.338 -2.138 18255
3767 1 9 . 1 1 51 51 GLU C C 51 175.400 175.400 175.276 0.124 18255
3768 1 9 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.702 -0.402 18255
3769 1 9 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.420 0.180 18255
3770 1 9 . 1 1 51 51 GLU H H 51 8.650 8.650 9.292 -0.642 18255
3771 1 9 . 1 1 52 52 THR N N 52 112.200 112.200 114.196 -1.996 18255
3772 1 9 . 1 1 52 52 THR C C 52 174.800 174.800 173.729 1.071 18255
3773 1 9 . 1 1 52 52 THR CA C 52 62.000 62.000 60.401 1.599 18255
3774 1 9 . 1 1 52 52 THR CB C 52 70.000 70.000 69.658 0.342 18255
3775 1 9 . 1 1 52 52 THR H H 52 8.450 8.450 8.287 0.163 18255
3776 1 9 . 1 1 53 53 VAL N N 53 122.300 122.300 118.444 3.856 18255
3777 1 9 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.368 -0.098 18255
3778 1 9 . 1 1 53 53 VAL C C 53 176.200 176.200 174.578 1.622 18255
3779 1 9 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.475 0.825 18255
3780 1 9 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.815 -1.815 18255
3781 1 9 . 1 1 53 53 VAL H H 53 8.800 8.800 8.587 0.213 18255
3782 1 9 . 1 1 54 54 GLY N N 54 115.400 115.400 109.675 5.725 18255
3783 1 9 . 1 1 54 54 GLY C C 54 173.100 173.100 173.005 0.095 18255
3784 1 9 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.347 -0.447 18255
3785 1 9 . 1 1 54 54 GLY H H 54 8.830 8.830 8.001 0.829 18255
3786 1 9 . 1 1 55 55 GLU N N 55 119.000 119.000 121.904 -2.904 18255
3787 1 9 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.877 -0.157 18255
3788 1 9 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.907 -2.307 18255
3789 1 9 . 1 1 55 55 GLU H H 55 8.390 8.390 8.674 -0.284 18255
3790 1 9 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.452 -0.032 18255
3791 1 9 . 1 1 56 56 PRO C C 56 176.200 176.200 175.592 0.608 18255
3792 1 9 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.221 0.679 18255
3793 1 9 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.318 0.182 18255
3794 1 9 . 1 1 57 57 ALA N N 57 124.300 124.300 126.984 -2.684 18255
3795 1 9 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.590 0.040 18255
3796 1 9 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.831 0.469 18255
3797 1 9 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.709 0.491 18255
3798 1 9 . 1 1 57 57 ALA H H 57 9.580 9.580 8.646 0.934 18255
3799 1 9 . 1 1 58 58 THR N N 58 108.700 108.700 113.307 -4.607 18255
3800 1 9 . 1 1 58 58 THR C C 58 175.700 175.700 176.626 -0.926 18255
3801 1 9 . 1 1 58 58 THR CA C 58 62.200 62.200 62.714 -0.514 18255
3802 1 9 . 1 1 58 58 THR CB C 58 70.600 70.600 70.051 0.549 18255
3803 1 9 . 1 1 58 58 THR H H 58 8.070 8.070 8.509 -0.439 18255
3804 1 9 . 1 1 59 59 LYS N N 59 123.400 123.400 127.595 -4.195 18255
3805 1 9 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.465 -0.295 18255
3806 1 9 . 1 1 59 59 LYS C C 59 178.100 178.100 178.548 -0.448 18255
3807 1 9 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.562 1.738 18255
3808 1 9 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.894 -0.194 18255
3809 1 9 . 1 1 59 59 LYS H H 59 9.420 9.420 8.927 0.493 18255
3810 1 9 . 1 1 60 60 GLN N N 60 114.800 114.800 117.323 -2.523 18255
3811 1 9 . 1 1 60 60 GLN HA H 60 3.870 3.870 4.001 -0.131 18255
3812 1 9 . 1 1 60 60 GLN C C 60 178.600 178.600 179.000 -0.400 18255
3813 1 9 . 1 1 60 60 GLN CA C 60 59.200 59.200 58.988 0.212 18255
3814 1 9 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.091 0.009 18255
3815 1 9 . 1 1 60 60 GLN H H 60 8.610 8.610 7.897 0.713 18255
3816 1 9 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.152 -0.122 18255
3817 1 9 . 1 1 61 61 GLN C C 61 179.700 179.700 178.518 1.182 18255
3818 1 9 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.270 0.630 18255
3819 1 9 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.484 0.216 18255
3820 1 9 . 1 1 61 61 GLN H H 61 7.690 7.690 7.882 -0.192 18255
3821 1 9 . 1 1 62 62 CYS N N 62 118.800 118.800 118.485 0.315 18255
3822 1 9 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.162 -0.272 18255
3823 1 9 . 1 1 62 62 CYS C C 62 176.400 176.400 177.102 -0.702 18255
3824 1 9 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.379 0.421 18255
3825 1 9 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.824 -0.624 18255
3826 1 9 . 1 1 62 62 CYS H H 62 8.460 8.460 8.355 0.105 18255
3827 1 9 . 1 1 63 63 LEU N N 63 119.200 119.200 119.552 -0.352 18255
3828 1 9 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.038 -0.148 18255
3829 1 9 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.188 -0.088 18255
3830 1 9 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.650 0.250 18255
3831 1 9 . 1 1 63 63 LEU H H 63 8.350 8.350 8.340 0.010 18255
3832 1 9 . 1 1 64 64 GLN N N 64 119.000 119.000 120.252 -1.252 18255
3833 1 9 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.088 -0.058 18255
3834 1 9 . 1 1 64 64 GLN C C 64 178.400 178.400 178.358 0.042 18255
3835 1 9 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.889 -0.289 18255
3836 1 9 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.524 -0.224 18255
3837 1 9 . 1 1 64 64 GLN H H 64 7.910 7.910 8.000 -0.090 18255
3838 1 9 . 1 1 65 65 ARG N N 65 120.000 120.000 119.836 0.164 18255
3839 1 9 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.126 -0.126 18255
3840 1 9 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.523 -0.223 18255
3841 1 9 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.361 -0.461 18255
3842 1 9 . 1 1 65 65 ARG H H 65 7.940 7.940 7.889 0.051 18255
3843 1 9 . 1 1 66 66 ILE HA H 66 3.370 3.370 4.027 -0.657 18255
3844 1 9 . 1 1 66 66 ILE C C 66 176.700 176.700 177.472 -0.772 18255
3845 1 9 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.643 0.857 18255
3846 1 9 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.770 0.130 18255
3847 1 9 . 1 1 67 67 GLU N N 67 118.400 118.400 121.517 -3.117 18255
3848 1 9 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.129 -0.179 18255
3849 1 9 . 1 1 67 67 GLU C C 67 178.600 178.600 179.058 -0.458 18255
3850 1 9 . 1 1 67 67 GLU CA C 67 59.300 59.300 59.164 0.136 18255
3851 1 9 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.398 -0.098 18255
3852 1 9 . 1 1 67 67 GLU H H 67 7.600 7.600 8.128 -0.528 18255
3853 1 9 . 1 1 68 68 GLN N N 68 116.400 116.400 115.223 1.177 18255
3854 1 9 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.205 -0.085 18255
3855 1 9 . 1 1 68 68 GLN C C 68 177.400 177.400 177.003 0.397 18255
3856 1 9 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.277 1.323 18255
3857 1 9 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.117 0.482 18255
3858 1 9 . 1 1 68 68 GLN H H 68 7.620 7.620 8.117 -0.497 18255
3859 1 9 . 1 1 69 69 LEU N N 69 120.000 120.000 117.881 2.119 18255
3860 1 9 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.361 -0.271 18255
3861 1 9 . 1 1 69 69 LEU C C 69 176.600 176.600 177.775 -1.175 18255
3862 1 9 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.164 0.635 18255
3863 1 9 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.438 -0.537 18255
3864 1 9 . 1 1 69 69 LEU H H 69 7.900 7.900 7.420 0.480 18255
3865 1 9 . 1 1 70 70 TRP N N 70 119.200 119.200 117.168 2.032 18255
3866 1 9 . 1 1 70 70 TRP C C 70 177.100 177.100 178.597 -1.497 18255
3867 1 9 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.123 -2.123 18255
3868 1 9 . 1 1 70 70 TRP CB C 70 29.300 29.300 29.335 -0.035 18255
3869 1 9 . 1 1 70 70 TRP H H 70 8.120 8.120 8.170 -0.050 18255
3870 1 9 . 1 1 71 71 THR N N 71 114.500 114.500 115.075 -0.575 18255
3871 1 9 . 1 1 71 71 THR HA H 71 4.160 4.160 4.134 0.026 18255
3872 1 9 . 1 1 71 71 THR C C 71 174.700 174.700 175.044 -0.344 18255
3873 1 9 . 1 1 71 71 THR CA C 71 63.700 63.700 65.199 -1.499 18255
3874 1 9 . 1 1 71 71 THR CB C 71 69.500 69.500 68.076 1.424 18255
3875 1 9 . 1 1 71 71 THR H H 71 7.960 7.960 7.951 0.009 18255
3876 1 9 . 1 1 72 72 ASP N N 72 120.700 120.700 121.814 -1.114 18255
3877 1 9 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.300 0.260 18255
3878 1 9 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.483 -1.483 18255
3879 1 9 . 1 1 72 72 ASP CB C 72 40.800 40.800 41.040 -0.240 18255
3880 1 9 . 1 1 72 72 ASP H H 72 8.140 8.140 7.911 0.229 18255
3881 1 9 . 1 1 74 74 VAL N N 74 121.700 121.700 124.800 -3.100 18255
3882 1 9 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.433 -0.093 18255
3883 1 9 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.598 1.502 18255
3884 1 9 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.173 -0.673 18255
3885 1 9 . 1 1 74 74 VAL H H 74 7.950 7.950 8.111 -0.161 18255
3886 1 9 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.580 -0.200 18255
3887 1 9 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.422 0.878 18255
3888 1 9 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.397 -0.197 18255
3889 1 9 . 1 1 76 76 ALA N N 76 124.200 124.200 121.410 2.790 18255
3890 1 9 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.088 0.052 18255
3891 1 9 . 1 1 76 76 ALA C C 76 178.400 178.400 179.821 -1.421 18255
3892 1 9 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.629 -0.829 18255
3893 1 9 . 1 1 76 76 ALA CB C 76 18.700 18.700 17.999 0.701 18255
3894 1 9 . 1 1 76 76 ALA H H 76 8.600 8.600 8.474 0.126 18255
3895 1 9 . 1 1 77 77 SER N N 77 112.900 112.900 115.352 -2.452 18255
3896 1 9 . 1 1 77 77 SER HA H 77 4.340 4.340 4.406 -0.066 18255
3897 1 9 . 1 1 77 77 SER C C 77 175.200 175.200 176.761 -1.561 18255
3898 1 9 . 1 1 77 77 SER CA C 77 59.200 59.200 60.867 -1.667 18255
3899 1 9 . 1 1 77 77 SER CB C 77 63.200 63.200 62.501 0.699 18255
3900 1 9 . 1 1 77 77 SER H H 77 8.310 8.310 8.247 0.063 18255
3901 1 9 . 1 1 78 78 VAL N N 78 121.700 121.700 122.875 -1.175 18255
3902 1 9 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.748 0.272 18255
3903 1 9 . 1 1 78 78 VAL C C 78 176.600 176.600 177.030 -0.430 18255
3904 1 9 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.290 -1.890 18255
3905 1 9 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.442 0.859 18255
3906 1 9 . 1 1 78 78 VAL H H 78 7.810 7.810 8.237 -0.427 18255
3907 1 9 . 1 1 79 79 ARG N N 79 121.900 121.900 118.782 3.118 18255
3908 1 9 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.056 0.104 18255
3909 1 9 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.660 -2.360 18255
3910 1 9 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.967 0.533 18255
3911 1 9 . 1 1 79 79 ARG H H 79 8.100 8.100 8.137 -0.037 18255
3912 1 9 . 1 1 80 80 GLU N N 80 119.600 119.600 117.584 2.016 18255
3913 1 9 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.352 0.648 18255
3914 1 9 . 1 1 80 80 GLU H H 80 8.260 8.260 8.090 0.170 18255
3915 1 9 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.584 -0.034 18255
3916 1 9 . 1 1 81 81 HIS C C 81 175.600 175.600 177.244 -1.644 18255
3917 1 9 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.824 -1.624 18255
3918 1 9 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.566 -0.166 18255
3919 1 9 . 1 1 82 82 LEU N N 82 121.500 121.500 120.860 0.640 18255
3920 1 9 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.397 -0.137 18255
3921 1 9 . 1 1 82 82 LEU C C 82 177.200 177.200 176.897 0.303 18255
3922 1 9 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.478 0.122 18255
3923 1 9 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.018 0.082 18255
3924 1 9 . 1 1 82 82 LEU H H 82 8.120 8.120 7.637 0.483 18255
3925 1 9 . 1 1 83 83 ASN N N 83 118.300 118.300 119.829 -1.529 18255
3926 1 9 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.502 0.138 18255
3927 1 9 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.406 0.094 18255
3928 1 9 . 1 1 83 83 ASN CB C 83 38.600 38.600 36.643 1.957 18255
3929 1 9 . 1 1 83 83 ASN H H 83 8.400 8.400 8.169 0.231 18255
3930 1 9 . 1 1 85 85 HIS C C 85 174.900 174.900 174.893 0.007 18255
3931 1 9 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.896 1.404 18255
3932 1 9 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.124 0.476 18255
3933 1 9 . 1 1 86 86 SER N N 86 116.700 116.700 117.154 -0.454 18255
3934 1 9 . 1 1 86 86 SER C C 86 174.100 174.100 173.860 0.240 18255
3935 1 9 . 1 1 86 86 SER CA C 86 58.400 58.400 59.004 -0.604 18255
3936 1 9 . 1 1 86 86 SER CB C 86 64.300 64.300 62.770 1.530 18255
3937 1 9 . 1 1 86 86 SER H H 86 8.220 8.220 9.183 -0.963 18255
3938 1 9 . 1 1 87 87 GLY N N 87 110.400 110.400 107.256 3.144 18255
3939 1 9 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.951 -0.451 18255
3940 1 9 . 1 1 87 87 GLY H H 87 8.310 8.310 7.325 0.985 18255
3941 1 9 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.525 -0.155 18255
3942 1 9 . 1 1 88 88 PRO C C 88 177.400 177.400 176.623 0.777 18255
3943 1 9 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.076 1.124 18255
3944 1 9 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.055 -0.055 18255
3945 1 9 . 1 1 89 89 GLY N N 89 109.300 109.300 110.205 -0.905 18255
3946 1 9 . 1 1 89 89 GLY C C 89 173.800 173.800 173.832 -0.032 18255
3947 1 9 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.121 0.079 18255
3948 1 9 . 1 1 89 89 GLY H H 89 8.500 8.500 7.962 0.538 18255
3949 1 9 . 1 1 90 90 ILE N N 90 119.600 119.600 120.490 -0.890 18255
3950 1 9 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.795 0.285 18255
3951 1 9 . 1 1 90 90 ILE C C 90 175.400 175.400 176.280 -0.880 18255
3952 1 9 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.822 -0.821 18255
3953 1 9 . 1 1 90 90 ILE CB C 90 38.900 38.900 36.429 2.471 18255
3954 1 9 . 1 1 90 90 ILE H H 90 7.910 7.910 8.017 -0.107 18255
3955 1 9 . 1 1 91 91 ASP N N 91 123.400 123.400 124.189 -0.789 18255
3956 1 9 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.273 0.297 18255
3957 1 9 . 1 1 91 91 ASP C C 91 175.700 175.700 174.454 1.246 18255
3958 1 9 . 1 1 91 91 ASP CA C 91 53.900 53.900 55.889 -1.989 18255
3959 1 9 . 1 1 91 91 ASP CB C 91 41.100 41.100 40.248 0.852 18255
3960 1 9 . 1 1 91 91 ASP H H 91 8.350 8.350 8.204 0.146 18255
3961 1 9 . 1 1 92 92 TYR N N 92 120.800 120.800 120.689 0.111 18255
3962 1 9 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.622 -0.162 18255
3963 1 9 . 1 1 92 92 TYR C C 92 175.200 175.200 174.005 1.195 18255
3964 1 9 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.405 0.595 18255
3965 1 9 . 1 1 92 92 TYR CB C 92 38.600 38.600 37.963 0.637 18255
3966 1 9 . 1 1 92 92 TYR H H 92 8.050 8.050 7.762 0.288 18255
3967 1 9 . 1 1 93 93 ALA N N 93 124.700 124.700 126.512 -1.812 18255
3968 1 9 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.298 0.002 18255
3969 1 9 . 1 1 93 93 ALA C C 93 177.100 177.100 174.706 2.394 18255
3970 1 9 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.227 1.173 18255
3971 1 9 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.161 -0.861 18255
3972 1 9 . 1 1 93 93 ALA H H 93 8.170 8.170 7.328 0.842 18255
3973 1 9 . 1 1 94 94 VAL N N 94 119.400 119.400 119.994 -0.594 18255
3974 1 9 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.027 0.023 18255
3975 1 9 . 1 1 94 94 VAL C C 94 175.100 175.100 176.315 -1.215 18255
3976 1 9 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.651 -0.251 18255
3977 1 9 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.078 0.223 18255
3978 1 9 . 1 1 94 94 VAL H H 94 8.000 8.000 8.373 -0.373 18255
3979 1 10 . 1 1 2 2 ALA HA H 2 3.960 3.960 3.936 0.024 18255
3980 1 10 . 1 1 2 2 ALA CA C 2 51.700 51.700 53.239 -1.540 18255
3981 1 10 . 1 1 2 2 ALA CB C 2 19.700 19.700 17.096 2.604 18255
3982 1 10 . 1 1 8 8 HIS C C 8 175.200 175.200 174.592 0.608 18255
3983 1 10 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.348 1.252 18255
3984 1 10 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.415 0.385 18255
3985 1 10 . 1 1 9 9 MET N N 9 121.800 121.800 125.905 -4.105 18255
3986 1 10 . 1 1 9 9 MET C C 9 176.400 176.400 175.806 0.594 18255
3987 1 10 . 1 1 9 9 MET CA C 9 55.800 55.800 56.581 -0.781 18255
3988 1 10 . 1 1 9 9 MET CB C 9 32.800 32.800 33.601 -0.801 18255
3989 1 10 . 1 1 9 9 MET H H 9 8.470 8.470 8.869 -0.399 18255
3990 1 10 . 1 1 10 10 GLY N N 10 109.800 109.800 106.167 3.633 18255
3991 1 10 . 1 1 10 10 GLY C C 10 174.100 174.100 174.049 0.051 18255
3992 1 10 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.797 0.503 18255
3993 1 10 . 1 1 10 10 GLY H H 10 8.490 8.490 7.948 0.542 18255
3994 1 10 . 1 1 11 11 THR N N 11 113.600 113.600 113.330 0.270 18255
3995 1 10 . 1 1 11 11 THR HA H 11 3.710 3.710 4.219 -0.509 18255
3996 1 10 . 1 1 11 11 THR C C 11 174.600 174.600 176.049 -1.449 18255
3997 1 10 . 1 1 11 11 THR CA C 11 62.400 62.400 63.234 -0.834 18255
3998 1 10 . 1 1 11 11 THR CB C 11 70.100 70.100 68.995 1.105 18255
3999 1 10 . 1 1 11 11 THR H H 11 8.100 8.100 8.325 -0.225 18255
4000 1 10 . 1 1 12 12 LEU N N 12 123.900 123.900 117.786 6.114 18255
4001 1 10 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.873 -0.573 18255
4002 1 10 . 1 1 12 12 LEU C C 12 177.400 177.400 175.840 1.560 18255
4003 1 10 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.459 1.141 18255
4004 1 10 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.853 -0.753 18255
4005 1 10 . 1 1 12 12 LEU H H 12 8.350 8.350 7.467 0.883 18255
4006 1 10 . 1 1 13 13 GLU N N 13 121.300 121.300 116.149 5.151 18255
4007 1 10 . 1 1 13 13 GLU HA H 13 4.190 4.190 3.967 0.223 18255
4008 1 10 . 1 1 13 13 GLU C C 13 176.200 176.200 176.026 0.174 18255
4009 1 10 . 1 1 13 13 GLU CA C 13 56.900 56.900 57.526 -0.626 18255
4010 1 10 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.152 1.848 18255
4011 1 10 . 1 1 13 13 GLU H H 13 8.420 8.420 8.929 -0.509 18255
4012 1 10 . 1 1 14 14 ALA N N 14 124.100 124.100 121.091 3.009 18255
4013 1 10 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.637 -0.377 18255
4014 1 10 . 1 1 14 14 ALA C C 14 177.700 177.700 176.783 0.917 18255
4015 1 10 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.492 1.208 18255
4016 1 10 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.387 0.713 18255
4017 1 10 . 1 1 14 14 ALA H H 14 8.260 8.260 8.201 0.059 18255
4018 1 10 . 1 1 15 15 GLN N N 15 119.100 119.100 118.735 0.365 18255
4019 1 10 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.511 -0.151 18255
4020 1 10 . 1 1 15 15 GLN C C 15 176.200 176.200 175.578 0.622 18255
4021 1 10 . 1 1 15 15 GLN CA C 15 55.900 55.900 54.764 1.136 18255
4022 1 10 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.992 -1.692 18255
4023 1 10 . 1 1 15 15 GLN H H 15 8.340 8.340 7.556 0.784 18255
4024 1 10 . 1 1 16 16 THR N N 16 114.600 114.600 121.820 -7.220 18255
4025 1 10 . 1 1 16 16 THR HA H 16 4.320 4.320 4.282 0.038 18255
4026 1 10 . 1 1 16 16 THR C C 16 174.300 174.300 174.090 0.210 18255
4027 1 10 . 1 1 16 16 THR CA C 16 61.900 61.900 62.620 -0.720 18255
4028 1 10 . 1 1 16 16 THR CB C 16 69.700 69.700 68.340 1.360 18255
4029 1 10 . 1 1 16 16 THR H H 16 8.160 8.160 8.632 -0.472 18255
4030 1 10 . 1 1 17 17 GLN N N 17 122.200 122.200 125.390 -3.190 18255
4031 1 10 . 1 1 17 17 GLN C C 17 175.800 175.800 176.504 -0.704 18255
4032 1 10 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.259 0.641 18255
4033 1 10 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.702 -0.102 18255
4034 1 10 . 1 1 17 17 GLN H H 17 8.410 8.410 7.748 0.662 18255
4035 1 10 . 1 1 18 18 GLY N N 18 110.100 110.100 113.002 -2.902 18255
4036 1 10 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.275 1.325 18255
4037 1 10 . 1 1 18 18 GLY H H 18 8.340 8.340 8.538 -0.198 18255
4038 1 10 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.602 -0.172 18255
4039 1 10 . 1 1 19 19 PRO C C 19 177.500 177.500 177.834 -0.334 18255
4040 1 10 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.472 1.028 18255
4041 1 10 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.002 0.098 18255
4042 1 10 . 1 1 20 20 GLY N N 20 109.600 109.600 109.485 0.115 18255
4043 1 10 . 1 1 20 20 GLY C C 20 174.000 174.000 175.005 -1.005 18255
4044 1 10 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.953 -0.752 18255
4045 1 10 . 1 1 20 20 GLY H H 20 8.620 8.620 8.478 0.142 18255
4046 1 10 . 1 1 21 21 SER N N 21 115.300 115.300 114.906 0.394 18255
4047 1 10 . 1 1 21 21 SER HA H 21 4.460 4.460 4.674 -0.214 18255
4048 1 10 . 1 1 21 21 SER C C 21 174.700 174.700 173.091 1.609 18255
4049 1 10 . 1 1 21 21 SER CA C 21 58.400 58.400 57.358 1.042 18255
4050 1 10 . 1 1 21 21 SER CB C 21 64.000 64.000 63.648 0.352 18255
4051 1 10 . 1 1 21 21 SER H H 21 8.240 8.240 8.056 0.184 18255
4052 1 10 . 1 1 22 22 MET N N 22 122.000 122.000 123.793 -1.793 18255
4053 1 10 . 1 1 22 22 MET HA H 22 4.530 4.530 4.385 0.145 18255
4054 1 10 . 1 1 22 22 MET C C 22 176.000 176.000 175.490 0.510 18255
4055 1 10 . 1 1 22 22 MET CA C 22 55.700 55.700 54.555 1.145 18255
4056 1 10 . 1 1 22 22 MET CB C 22 32.600 32.600 31.309 1.291 18255
4057 1 10 . 1 1 22 22 MET H H 22 8.570 8.570 7.616 0.954 18255
4058 1 10 . 1 1 23 23 ASP N N 23 120.600 120.600 124.960 -4.360 18255
4059 1 10 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.818 -0.188 18255
4060 1 10 . 1 1 23 23 ASP C C 23 175.700 175.700 176.023 -0.323 18255
4061 1 10 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.243 1.557 18255
4062 1 10 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.944 -0.944 18255
4063 1 10 . 1 1 23 23 ASP H H 23 8.330 8.330 7.835 0.495 18255
4064 1 10 . 1 1 24 24 ASP N N 24 119.800 119.800 119.294 0.506 18255
4065 1 10 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.446 0.214 18255
4066 1 10 . 1 1 24 24 ASP C C 24 175.800 175.800 176.757 -0.957 18255
4067 1 10 . 1 1 24 24 ASP CA C 24 54.100 54.100 56.519 -2.419 18255
4068 1 10 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.105 0.195 18255
4069 1 10 . 1 1 24 24 ASP H H 24 8.250 8.250 8.513 -0.263 18255
4070 1 10 . 1 1 25 25 GLU N N 25 120.600 120.600 120.547 0.053 18255
4071 1 10 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.427 -0.207 18255
4072 1 10 . 1 1 25 25 GLU C C 25 175.200 175.200 175.012 0.188 18255
4073 1 10 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.774 0.626 18255
4074 1 10 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.243 1.257 18255
4075 1 10 . 1 1 25 25 GLU H H 25 8.190 8.190 8.302 -0.112 18255
4076 1 10 . 1 1 26 26 LEU N N 26 121.500 121.500 126.218 -4.718 18255
4077 1 10 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.544 -0.004 18255
4078 1 10 . 1 1 26 26 LEU C C 26 175.200 175.200 176.179 -0.979 18255
4079 1 10 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.636 -0.636 18255
4080 1 10 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.943 0.757 18255
4081 1 10 . 1 1 26 26 LEU H H 26 8.270 8.270 8.069 0.201 18255
4082 1 10 . 1 1 27 27 TYR N N 27 119.400 119.400 119.444 -0.044 18255
4083 1 10 . 1 1 27 27 TYR HA H 27 4.970 4.970 4.984 -0.014 18255
4084 1 10 . 1 1 27 27 TYR C C 27 173.100 173.100 174.697 -1.597 18255
4085 1 10 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.862 -0.162 18255
4086 1 10 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.782 1.118 18255
4087 1 10 . 1 1 27 27 TYR H H 27 9.250 9.250 9.134 0.116 18255
4088 1 10 . 1 1 28 28 PHE N N 28 114.700 114.700 118.776 -4.076 18255
4089 1 10 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.827 0.243 18255
4090 1 10 . 1 1 28 28 PHE C C 28 178.100 178.100 174.379 3.721 18255
4091 1 10 . 1 1 28 28 PHE CA C 28 57.100 57.100 57.139 -0.039 18255
4092 1 10 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.231 -0.731 18255
4093 1 10 . 1 1 28 28 PHE H H 28 9.510 9.510 9.371 0.139 18255
4094 1 10 . 1 1 29 29 VAL N N 29 121.100 121.100 121.593 -0.493 18255
4095 1 10 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.863 -0.383 18255
4096 1 10 . 1 1 29 29 VAL C C 29 175.200 175.200 175.151 0.049 18255
4097 1 10 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.913 2.087 18255
4098 1 10 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.999 -0.099 18255
4099 1 10 . 1 1 29 29 VAL H H 29 9.110 9.110 8.846 0.264 18255
4100 1 10 . 1 1 30 30 VAL N N 30 119.800 119.800 120.591 -0.791 18255
4101 1 10 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.614 -0.064 18255
4102 1 10 . 1 1 30 30 VAL C C 30 173.800 173.800 174.488 -0.688 18255
4103 1 10 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.226 -1.226 18255
4104 1 10 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.259 -0.159 18255
4105 1 10 . 1 1 30 30 VAL H H 30 8.890 8.890 9.217 -0.327 18255
4106 1 10 . 1 1 31 31 ARG N N 31 119.700 119.700 117.047 2.653 18255
4107 1 10 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.972 0.218 18255
4108 1 10 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.381 -1.881 18255
4109 1 10 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.192 0.908 18255
4110 1 10 . 1 1 31 31 ARG H H 31 8.980 8.980 9.143 -0.163 18255
4111 1 10 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.623 -0.383 18255
4112 1 10 . 1 1 32 32 ASN C C 32 176.600 176.600 174.282 2.318 18255
4113 1 10 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.744 -3.044 18255
4114 1 10 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.582 -3.882 18255
4115 1 10 . 1 1 33 33 ASN N N 33 114.800 114.800 119.000 -4.200 18255
4116 1 10 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.326 -0.036 18255
4117 1 10 . 1 1 33 33 ASN C C 33 175.600 175.600 175.184 0.416 18255
4118 1 10 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.161 0.339 18255
4119 1 10 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.074 -0.274 18255
4120 1 10 . 1 1 33 33 ASN H H 33 7.760 7.760 8.751 -0.991 18255
4121 1 10 . 1 1 34 34 GLU N N 34 116.900 116.900 116.905 -0.005 18255
4122 1 10 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.348 -0.038 18255
4123 1 10 . 1 1 34 34 GLU C C 34 176.200 176.200 177.411 -1.211 18255
4124 1 10 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.356 -0.456 18255
4125 1 10 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.791 -0.291 18255
4126 1 10 . 1 1 34 34 GLU H H 34 7.340 7.340 8.129 -0.789 18255
4127 1 10 . 1 1 35 35 GLY N N 35 107.000 107.000 109.154 -2.154 18255
4128 1 10 . 1 1 35 35 GLY C C 35 173.400 173.400 173.552 -0.152 18255
4129 1 10 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.401 -0.001 18255
4130 1 10 . 1 1 35 35 GLY H H 35 7.720 7.720 8.332 -0.612 18255
4131 1 10 . 1 1 36 36 GLN N N 36 117.700 117.700 117.344 0.356 18255
4132 1 10 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.678 0.602 18255
4133 1 10 . 1 1 36 36 GLN CA C 36 54.500 54.500 53.814 0.686 18255
4134 1 10 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.818 -1.318 18255
4135 1 10 . 1 1 36 36 GLN H H 36 7.570 7.570 7.257 0.313 18255
4136 1 10 . 1 1 37 37 TYR C C 37 176.300 176.300 175.387 0.913 18255
4137 1 10 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.737 -0.237 18255
4138 1 10 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.575 2.225 18255
4139 1 10 . 1 1 38 38 SER N N 38 114.700 114.700 115.854 -1.154 18255
4140 1 10 . 1 1 38 38 SER HA H 38 5.770 5.770 4.907 0.863 18255
4141 1 10 . 1 1 38 38 SER C C 38 173.100 173.100 172.654 0.446 18255
4142 1 10 . 1 1 38 38 SER CA C 38 57.300 57.300 57.399 -0.099 18255
4143 1 10 . 1 1 38 38 SER CB C 38 64.400 64.400 66.411 -2.011 18255
4144 1 10 . 1 1 38 38 SER H H 38 9.230 9.230 9.190 0.040 18255
4145 1 10 . 1 1 39 39 VAL N N 39 114.000 114.000 114.098 -0.098 18255
4146 1 10 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.390 0.310 18255
4147 1 10 . 1 1 39 39 VAL C C 39 175.200 175.200 174.571 0.629 18255
4148 1 10 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.128 -0.228 18255
4149 1 10 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.650 -0.850 18255
4150 1 10 . 1 1 39 39 VAL H H 39 8.430 8.430 8.557 -0.127 18255
4151 1 10 . 1 1 40 40 TRP N N 40 126.600 126.600 127.038 -0.438 18255
4152 1 10 . 1 1 40 40 TRP C C 40 174.000 174.000 173.700 0.300 18255
4153 1 10 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.810 -0.310 18255
4154 1 10 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.523 2.177 18255
4155 1 10 . 1 1 40 40 TRP H H 40 9.590 9.590 9.230 0.360 18255
4156 1 10 . 1 1 41 41 MET N N 41 127.700 127.700 126.429 1.271 18255
4157 1 10 . 1 1 41 41 MET HA H 41 3.470 3.470 3.261 0.209 18255
4158 1 10 . 1 1 41 41 MET C C 41 175.000 175.000 174.148 0.852 18255
4159 1 10 . 1 1 41 41 MET CA C 41 56.900 56.900 54.844 2.056 18255
4160 1 10 . 1 1 41 41 MET CB C 41 33.800 33.800 33.396 0.404 18255
4161 1 10 . 1 1 41 41 MET H H 41 7.860 7.860 8.001 -0.141 18255
4162 1 10 . 1 1 42 42 ASP N N 42 123.400 123.400 126.379 -2.979 18255
4163 1 10 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.016 0.504 18255
4164 1 10 . 1 1 42 42 ASP C C 42 176.800 176.800 176.786 0.014 18255
4165 1 10 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.640 -0.140 18255
4166 1 10 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.611 -0.111 18255
4167 1 10 . 1 1 42 42 ASP H H 42 8.290 8.290 7.648 0.642 18255
4168 1 10 . 1 1 43 43 GLY N N 43 113.300 113.300 110.788 2.512 18255
4169 1 10 . 1 1 43 43 GLY C C 43 174.000 174.000 174.289 -0.289 18255
4170 1 10 . 1 1 43 43 GLY CA C 43 45.300 45.300 44.833 0.467 18255
4171 1 10 . 1 1 43 43 GLY H H 43 8.350 8.350 8.492 -0.142 18255
4172 1 10 . 1 1 44 44 ARG N N 44 119.600 119.600 120.396 -0.796 18255
4173 1 10 . 1 1 44 44 ARG C C 44 176.600 176.600 175.289 1.311 18255
4174 1 10 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.751 0.049 18255
4175 1 10 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.860 -0.360 18255
4176 1 10 . 1 1 44 44 ARG H H 44 7.560 7.560 7.534 0.026 18255
4177 1 10 . 1 1 45 45 SER N N 45 121.000 121.000 115.858 5.142 18255
4178 1 10 . 1 1 45 45 SER HA H 45 4.310 4.310 4.945 -0.635 18255
4179 1 10 . 1 1 45 45 SER C C 45 174.300 174.300 173.696 0.604 18255
4180 1 10 . 1 1 45 45 SER CA C 45 59.400 59.400 57.758 1.642 18255
4181 1 10 . 1 1 45 45 SER CB C 45 63.200 63.200 64.961 -1.761 18255
4182 1 10 . 1 1 45 45 SER H H 45 8.830 8.830 8.528 0.302 18255
4183 1 10 . 1 1 46 46 LEU N N 46 127.900 127.900 126.256 1.644 18255
4184 1 10 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.142 -0.292 18255
4185 1 10 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.728 0.272 18255
4186 1 10 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.578 0.622 18255
4187 1 10 . 1 1 46 46 LEU H H 46 8.610 8.610 8.231 0.379 18255
4188 1 10 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.282 -0.102 18255
4189 1 10 . 1 1 47 47 PRO C C 47 175.700 175.700 176.186 -0.486 18255
4190 1 10 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.881 -1.081 18255
4191 1 10 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.201 -1.101 18255
4192 1 10 . 1 1 48 48 ALA N N 48 123.600 123.600 125.789 -2.189 18255
4193 1 10 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.193 -0.093 18255
4194 1 10 . 1 1 48 48 ALA C C 48 178.800 178.800 178.461 0.339 18255
4195 1 10 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.907 -0.407 18255
4196 1 10 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.190 -0.990 18255
4197 1 10 . 1 1 48 48 ALA H H 48 8.260 8.260 8.209 0.051 18255
4198 1 10 . 1 1 49 49 GLY N N 49 110.200 110.200 111.415 -1.215 18255
4199 1 10 . 1 1 49 49 GLY C C 49 173.800 173.800 174.205 -0.405 18255
4200 1 10 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.447 0.653 18255
4201 1 10 . 1 1 49 49 GLY H H 49 8.720 8.720 8.348 0.372 18255
4202 1 10 . 1 1 50 50 TRP N N 50 119.900 119.900 122.180 -2.280 18255
4203 1 10 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.639 0.031 18255
4204 1 10 . 1 1 50 50 TRP C C 50 174.900 174.900 176.613 -1.713 18255
4205 1 10 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.912 -1.712 18255
4206 1 10 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.051 0.349 18255
4207 1 10 . 1 1 50 50 TRP H H 50 7.640 7.640 7.942 -0.302 18255
4208 1 10 . 1 1 51 51 GLU N N 51 118.200 118.200 121.082 -2.882 18255
4209 1 10 . 1 1 51 51 GLU C C 51 175.400 175.400 175.364 0.036 18255
4210 1 10 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.705 -0.405 18255
4211 1 10 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.323 0.277 18255
4212 1 10 . 1 1 51 51 GLU H H 51 8.650 8.650 9.194 -0.544 18255
4213 1 10 . 1 1 52 52 THR N N 52 112.200 112.200 113.087 -0.887 18255
4214 1 10 . 1 1 52 52 THR C C 52 174.800 174.800 174.385 0.415 18255
4215 1 10 . 1 1 52 52 THR CA C 52 62.000 62.000 60.343 1.657 18255
4216 1 10 . 1 1 52 52 THR CB C 52 70.000 70.000 70.707 -0.707 18255
4217 1 10 . 1 1 52 52 THR H H 52 8.450 8.450 8.268 0.182 18255
4218 1 10 . 1 1 53 53 VAL N N 53 122.300 122.300 115.175 7.125 18255
4219 1 10 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.279 -0.009 18255
4220 1 10 . 1 1 53 53 VAL C C 53 176.200 176.200 174.691 1.509 18255
4221 1 10 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.826 0.474 18255
4222 1 10 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.307 -1.307 18255
4223 1 10 . 1 1 53 53 VAL H H 53 8.800 8.800 8.739 0.061 18255
4224 1 10 . 1 1 54 54 GLY N N 54 115.400 115.400 110.878 4.522 18255
4225 1 10 . 1 1 54 54 GLY C C 54 173.100 173.100 173.509 -0.409 18255
4226 1 10 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.020 -0.120 18255
4227 1 10 . 1 1 54 54 GLY H H 54 8.830 8.830 8.191 0.639 18255
4228 1 10 . 1 1 55 55 GLU N N 55 119.000 119.000 121.552 -2.552 18255
4229 1 10 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.908 -0.188 18255
4230 1 10 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.602 -2.002 18255
4231 1 10 . 1 1 55 55 GLU H H 55 8.390 8.390 8.671 -0.281 18255
4232 1 10 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.084 0.336 18255
4233 1 10 . 1 1 56 56 PRO C C 56 176.200 176.200 175.704 0.496 18255
4234 1 10 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.314 0.586 18255
4235 1 10 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.370 0.130 18255
4236 1 10 . 1 1 57 57 ALA N N 57 124.300 124.300 127.081 -2.781 18255
4237 1 10 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.653 -0.023 18255
4238 1 10 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.103 1.197 18255
4239 1 10 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.650 -0.450 18255
4240 1 10 . 1 1 57 57 ALA H H 57 9.580 9.580 8.646 0.934 18255
4241 1 10 . 1 1 58 58 THR N N 58 108.700 108.700 113.831 -5.131 18255
4242 1 10 . 1 1 58 58 THR C C 58 175.700 175.700 176.599 -0.899 18255
4243 1 10 . 1 1 58 58 THR CA C 58 62.200 62.200 62.120 0.080 18255
4244 1 10 . 1 1 58 58 THR CB C 58 70.600 70.600 70.108 0.492 18255
4245 1 10 . 1 1 58 58 THR H H 58 8.070 8.070 8.366 -0.296 18255
4246 1 10 . 1 1 59 59 LYS N N 59 123.400 123.400 127.303 -3.903 18255
4247 1 10 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.454 -0.284 18255
4248 1 10 . 1 1 59 59 LYS C C 59 178.100 178.100 178.479 -0.379 18255
4249 1 10 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.469 1.831 18255
4250 1 10 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.898 -0.198 18255
4251 1 10 . 1 1 59 59 LYS H H 59 9.420 9.420 8.615 0.805 18255
4252 1 10 . 1 1 60 60 GLN N N 60 114.800 114.800 117.222 -2.422 18255
4253 1 10 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.912 -0.042 18255
4254 1 10 . 1 1 60 60 GLN C C 60 178.600 178.600 178.795 -0.195 18255
4255 1 10 . 1 1 60 60 GLN CA C 60 59.200 59.200 58.973 0.227 18255
4256 1 10 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.594 -0.494 18255
4257 1 10 . 1 1 60 60 GLN H H 60 8.610 8.610 7.882 0.728 18255
4258 1 10 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.156 -0.126 18255
4259 1 10 . 1 1 61 61 GLN C C 61 179.700 179.700 178.701 0.999 18255
4260 1 10 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.685 0.215 18255
4261 1 10 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.730 -0.030 18255
4262 1 10 . 1 1 61 61 GLN H H 61 7.690 7.690 7.930 -0.240 18255
4263 1 10 . 1 1 62 62 CYS N N 62 118.800 118.800 118.574 0.226 18255
4264 1 10 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.136 -0.246 18255
4265 1 10 . 1 1 62 62 CYS C C 62 176.400 176.400 176.756 -0.356 18255
4266 1 10 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.694 0.106 18255
4267 1 10 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.491 -0.291 18255
4268 1 10 . 1 1 62 62 CYS H H 62 8.460 8.460 8.369 0.091 18255
4269 1 10 . 1 1 63 63 LEU N N 63 119.200 119.200 119.946 -0.746 18255
4270 1 10 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.052 -0.162 18255
4271 1 10 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.225 -0.125 18255
4272 1 10 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.780 0.120 18255
4273 1 10 . 1 1 63 63 LEU H H 63 8.350 8.350 8.237 0.113 18255
4274 1 10 . 1 1 64 64 GLN N N 64 119.000 119.000 119.463 -0.463 18255
4275 1 10 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.230 -0.200 18255
4276 1 10 . 1 1 64 64 GLN C C 64 178.400 178.400 178.400 0.000 18255
4277 1 10 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.033 -0.433 18255
4278 1 10 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.629 -0.329 18255
4279 1 10 . 1 1 64 64 GLN H H 64 7.910 7.910 8.286 -0.376 18255
4280 1 10 . 1 1 65 65 ARG N N 65 120.000 120.000 119.367 0.633 18255
4281 1 10 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.363 -0.363 18255
4282 1 10 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.015 0.285 18255
4283 1 10 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.326 -0.426 18255
4284 1 10 . 1 1 65 65 ARG H H 65 7.940 7.940 7.844 0.096 18255
4285 1 10 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.858 -0.488 18255
4286 1 10 . 1 1 66 66 ILE C C 66 176.700 176.700 177.475 -0.775 18255
4287 1 10 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.152 1.348 18255
4288 1 10 . 1 1 66 66 ILE CB C 66 37.900 37.900 38.277 -0.377 18255
4289 1 10 . 1 1 67 67 GLU N N 67 118.400 118.400 121.296 -2.896 18255
4290 1 10 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.006 -0.056 18255
4291 1 10 . 1 1 67 67 GLU C C 67 178.600 178.600 178.796 -0.196 18255
4292 1 10 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.940 0.360 18255
4293 1 10 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.140 0.160 18255
4294 1 10 . 1 1 67 67 GLU H H 67 7.600 7.600 8.043 -0.443 18255
4295 1 10 . 1 1 68 68 GLN N N 68 116.400 116.400 117.276 -0.876 18255
4296 1 10 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.174 -0.054 18255
4297 1 10 . 1 1 68 68 GLN C C 68 177.400 177.400 177.020 0.380 18255
4298 1 10 . 1 1 68 68 GLN CA C 68 57.600 57.600 57.318 0.282 18255
4299 1 10 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.698 -0.098 18255
4300 1 10 . 1 1 68 68 GLN H H 68 7.620 7.620 7.800 -0.180 18255
4301 1 10 . 1 1 69 69 LEU N N 69 120.000 120.000 119.153 0.847 18255
4302 1 10 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.404 -0.314 18255
4303 1 10 . 1 1 69 69 LEU C C 69 176.600 176.600 177.633 -1.033 18255
4304 1 10 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.271 0.529 18255
4305 1 10 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.645 -0.745 18255
4306 1 10 . 1 1 69 69 LEU H H 69 7.900 7.900 7.564 0.336 18255
4307 1 10 . 1 1 70 70 TRP N N 70 119.200 119.200 120.002 -0.802 18255
4308 1 10 . 1 1 70 70 TRP C C 70 177.100 177.100 177.718 -0.618 18255
4309 1 10 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.830 -1.830 18255
4310 1 10 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.345 -2.045 18255
4311 1 10 . 1 1 70 70 TRP H H 70 8.120 8.120 8.121 -0.001 18255
4312 1 10 . 1 1 71 71 THR N N 71 114.500 114.500 113.907 0.593 18255
4313 1 10 . 1 1 71 71 THR HA H 71 4.160 4.160 4.372 -0.212 18255
4314 1 10 . 1 1 71 71 THR C C 71 174.700 174.700 175.460 -0.760 18255
4315 1 10 . 1 1 71 71 THR CA C 71 63.700 63.700 64.658 -0.958 18255
4316 1 10 . 1 1 71 71 THR CB C 71 69.500 69.500 68.571 0.929 18255
4317 1 10 . 1 1 71 71 THR H H 71 7.960 7.960 7.714 0.246 18255
4318 1 10 . 1 1 72 72 ASP N N 72 120.700 120.700 121.286 -0.586 18255
4319 1 10 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.329 0.231 18255
4320 1 10 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.334 -1.333 18255
4321 1 10 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.263 0.537 18255
4322 1 10 . 1 1 72 72 ASP H H 72 8.140 8.140 8.162 -0.022 18255
4323 1 10 . 1 1 74 74 VAL N N 74 121.700 121.700 121.637 0.063 18255
4324 1 10 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.407 -0.067 18255
4325 1 10 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.232 0.868 18255
4326 1 10 . 1 1 74 74 VAL CB C 74 32.500 32.500 31.133 1.367 18255
4327 1 10 . 1 1 74 74 VAL H H 74 7.950 7.950 7.935 0.015 18255
4328 1 10 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.546 -0.166 18255
4329 1 10 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.577 0.723 18255
4330 1 10 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.165 0.035 18255
4331 1 10 . 1 1 76 76 ALA N N 76 124.200 124.200 121.280 2.920 18255
4332 1 10 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.079 0.061 18255
4333 1 10 . 1 1 76 76 ALA C C 76 178.400 178.400 179.723 -1.323 18255
4334 1 10 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.746 -0.946 18255
4335 1 10 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.098 0.602 18255
4336 1 10 . 1 1 76 76 ALA H H 76 8.600 8.600 8.458 0.142 18255
4337 1 10 . 1 1 77 77 SER N N 77 112.900 112.900 114.493 -1.593 18255
4338 1 10 . 1 1 77 77 SER HA H 77 4.340 4.340 4.196 0.144 18255
4339 1 10 . 1 1 77 77 SER C C 77 175.200 175.200 176.711 -1.511 18255
4340 1 10 . 1 1 77 77 SER CA C 77 59.200 59.200 61.210 -2.010 18255
4341 1 10 . 1 1 77 77 SER CB C 77 63.200 63.200 62.798 0.402 18255
4342 1 10 . 1 1 77 77 SER H H 77 8.310 8.310 8.445 -0.135 18255
4343 1 10 . 1 1 78 78 VAL N N 78 121.700 121.700 123.358 -1.658 18255
4344 1 10 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.816 0.204 18255
4345 1 10 . 1 1 78 78 VAL C C 78 176.600 176.600 176.945 -0.345 18255
4346 1 10 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.370 -1.970 18255
4347 1 10 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.804 0.496 18255
4348 1 10 . 1 1 78 78 VAL H H 78 7.810 7.810 8.079 -0.269 18255
4349 1 10 . 1 1 79 79 ARG N N 79 121.900 121.900 118.553 3.347 18255
4350 1 10 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.053 0.107 18255
4351 1 10 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.736 -1.436 18255
4352 1 10 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.519 0.981 18255
4353 1 10 . 1 1 79 79 ARG H H 79 8.100 8.100 8.286 -0.186 18255
4354 1 10 . 1 1 80 80 GLU N N 80 119.600 119.600 118.855 0.745 18255
4355 1 10 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.146 0.854 18255
4356 1 10 . 1 1 80 80 GLU H H 80 8.260 8.260 8.030 0.230 18255
4357 1 10 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.446 0.104 18255
4358 1 10 . 1 1 81 81 HIS C C 81 175.600 175.600 176.834 -1.234 18255
4359 1 10 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.667 -2.467 18255
4360 1 10 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.376 0.024 18255
4361 1 10 . 1 1 82 82 LEU N N 82 121.500 121.500 118.571 2.929 18255
4362 1 10 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.304 -0.044 18255
4363 1 10 . 1 1 82 82 LEU C C 82 177.200 177.200 177.316 -0.116 18255
4364 1 10 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.161 0.439 18255
4365 1 10 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.126 0.974 18255
4366 1 10 . 1 1 82 82 LEU H H 82 8.120 8.120 7.805 0.315 18255
4367 1 10 . 1 1 83 83 ASN N N 83 118.300 118.300 116.047 2.253 18255
4368 1 10 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.720 -0.080 18255
4369 1 10 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.725 0.775 18255
4370 1 10 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.341 -0.741 18255
4371 1 10 . 1 1 83 83 ASN H H 83 8.400 8.400 7.442 0.958 18255
4372 1 10 . 1 1 85 85 HIS C C 85 174.900 174.900 175.054 -0.154 18255
4373 1 10 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.766 0.534 18255
4374 1 10 . 1 1 85 85 HIS CB C 85 30.600 30.600 28.176 2.424 18255
4375 1 10 . 1 1 86 86 SER N N 86 116.700 116.700 115.079 1.621 18255
4376 1 10 . 1 1 86 86 SER C C 86 174.100 174.100 174.369 -0.269 18255
4377 1 10 . 1 1 86 86 SER CA C 86 58.400 58.400 58.813 -0.413 18255
4378 1 10 . 1 1 86 86 SER CB C 86 64.300 64.300 62.857 1.443 18255
4379 1 10 . 1 1 86 86 SER H H 86 8.220 8.220 8.359 -0.139 18255
4380 1 10 . 1 1 87 87 GLY N N 87 110.400 110.400 109.185 1.215 18255
4381 1 10 . 1 1 87 87 GLY CA C 87 44.500 44.500 43.778 0.722 18255
4382 1 10 . 1 1 87 87 GLY H H 87 8.310 8.310 8.258 0.052 18255
4383 1 10 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.660 -0.290 18255
4384 1 10 . 1 1 88 88 PRO C C 88 177.400 177.400 177.931 -0.531 18255
4385 1 10 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.376 0.824 18255
4386 1 10 . 1 1 88 88 PRO CB C 88 32.000 32.000 33.280 -1.280 18255
4387 1 10 . 1 1 89 89 GLY N N 89 109.300 109.300 108.494 0.806 18255
4388 1 10 . 1 1 89 89 GLY C C 89 173.800 173.800 175.597 -1.797 18255
4389 1 10 . 1 1 89 89 GLY CA C 89 45.200 45.200 46.173 -0.973 18255
4390 1 10 . 1 1 89 89 GLY H H 89 8.500 8.500 8.514 -0.014 18255
4391 1 10 . 1 1 90 90 ILE N N 90 119.600 119.600 124.544 -4.944 18255
4392 1 10 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.881 0.199 18255
4393 1 10 . 1 1 90 90 ILE C C 90 175.400 175.400 174.698 0.702 18255
4394 1 10 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.136 0.863 18255
4395 1 10 . 1 1 90 90 ILE CB C 90 38.900 38.900 34.910 3.990 18255
4396 1 10 . 1 1 90 90 ILE H H 90 7.910 7.910 7.901 0.009 18255
4397 1 10 . 1 1 91 91 ASP N N 91 123.400 123.400 123.312 0.088 18255
4398 1 10 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.614 -0.044 18255
4399 1 10 . 1 1 91 91 ASP C C 91 175.700 175.700 174.001 1.699 18255
4400 1 10 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.221 0.680 18255
4401 1 10 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.370 -2.270 18255
4402 1 10 . 1 1 91 91 ASP H H 91 8.350 8.350 7.524 0.826 18255
4403 1 10 . 1 1 92 92 TYR N N 92 120.800 120.800 123.224 -2.424 18255
4404 1 10 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.829 -0.369 18255
4405 1 10 . 1 1 92 92 TYR C C 92 175.200 175.200 174.867 0.333 18255
4406 1 10 . 1 1 92 92 TYR CA C 92 58.000 58.000 56.928 1.072 18255
4407 1 10 . 1 1 92 92 TYR CB C 92 38.600 38.600 41.817 -3.217 18255
4408 1 10 . 1 1 92 92 TYR H H 92 8.050 8.050 8.286 -0.236 18255
4409 1 10 . 1 1 93 93 ALA N N 93 124.700 124.700 124.198 0.502 18255
4410 1 10 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.641 -0.341 18255
4411 1 10 . 1 1 93 93 ALA C C 93 177.100 177.100 177.279 -0.179 18255
4412 1 10 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.575 1.825 18255
4413 1 10 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.145 -0.845 18255
4414 1 10 . 1 1 93 93 ALA H H 93 8.170 8.170 9.167 -0.997 18255
4415 1 10 . 1 1 94 94 VAL N N 94 119.400 119.400 120.847 -1.447 18255
4416 1 10 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.119 -0.069 18255
4417 1 10 . 1 1 94 94 VAL C C 94 175.100 175.100 174.731 0.369 18255
4418 1 10 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.982 0.418 18255
4419 1 10 . 1 1 94 94 VAL CB C 94 32.300 32.300 29.453 2.847 18255
4420 1 10 . 1 1 94 94 VAL H H 94 8.000 8.000 8.532 -0.532 18255
4421 1 11 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.579 -0.619 18255
4422 1 11 . 1 1 2 2 ALA CA C 2 51.700 51.700 51.749 -0.049 18255
4423 1 11 . 1 1 2 2 ALA CB C 2 19.700 19.700 20.022 -0.322 18255
4424 1 11 . 1 1 8 8 HIS C C 8 175.200 175.200 174.454 0.746 18255
4425 1 11 . 1 1 8 8 HIS CA C 8 56.600 56.600 57.128 -0.528 18255
4426 1 11 . 1 1 8 8 HIS CB C 8 30.800 30.800 29.323 1.477 18255
4427 1 11 . 1 1 9 9 MET N N 9 121.800 121.800 126.050 -4.250 18255
4428 1 11 . 1 1 9 9 MET C C 9 176.400 176.400 174.265 2.135 18255
4429 1 11 . 1 1 9 9 MET CA C 9 55.800 55.800 55.169 0.631 18255
4430 1 11 . 1 1 9 9 MET CB C 9 32.800 32.800 35.195 -2.395 18255
4431 1 11 . 1 1 9 9 MET H H 9 8.470 8.470 7.905 0.565 18255
4432 1 11 . 1 1 10 10 GLY N N 10 109.800 109.800 113.137 -3.337 18255
4433 1 11 . 1 1 10 10 GLY C C 10 174.100 174.100 174.684 -0.584 18255
4434 1 11 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.267 0.032 18255
4435 1 11 . 1 1 10 10 GLY H H 10 8.490 8.490 8.628 -0.138 18255
4436 1 11 . 1 1 11 11 THR N N 11 113.600 113.600 118.058 -4.458 18255
4437 1 11 . 1 1 11 11 THR HA H 11 3.710 3.710 4.184 -0.474 18255
4438 1 11 . 1 1 11 11 THR C C 11 174.600 174.600 175.566 -0.966 18255
4439 1 11 . 1 1 11 11 THR CA C 11 62.400 62.400 64.619 -2.219 18255
4440 1 11 . 1 1 11 11 THR CB C 11 70.100 70.100 69.513 0.587 18255
4441 1 11 . 1 1 11 11 THR H H 11 8.100 8.100 8.273 -0.173 18255
4442 1 11 . 1 1 12 12 LEU N N 12 123.900 123.900 118.156 5.744 18255
4443 1 11 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.510 -0.210 18255
4444 1 11 . 1 1 12 12 LEU C C 12 177.400 177.400 176.736 0.664 18255
4445 1 11 . 1 1 12 12 LEU CA C 12 55.600 55.600 55.750 -0.150 18255
4446 1 11 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.180 -1.080 18255
4447 1 11 . 1 1 12 12 LEU H H 12 8.350 8.350 7.886 0.464 18255
4448 1 11 . 1 1 13 13 GLU N N 13 121.300 121.300 118.759 2.541 18255
4449 1 11 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.564 -0.374 18255
4450 1 11 . 1 1 13 13 GLU C C 13 176.200 176.200 175.053 1.147 18255
4451 1 11 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.594 1.306 18255
4452 1 11 . 1 1 13 13 GLU CB C 13 30.000 30.000 31.529 -1.529 18255
4453 1 11 . 1 1 13 13 GLU H H 13 8.420 8.420 8.327 0.093 18255
4454 1 11 . 1 1 14 14 ALA N N 14 124.100 124.100 124.016 0.084 18255
4455 1 11 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.411 -0.151 18255
4456 1 11 . 1 1 14 14 ALA C C 14 177.700 177.700 176.136 1.564 18255
4457 1 11 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.416 0.284 18255
4458 1 11 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.893 -0.793 18255
4459 1 11 . 1 1 14 14 ALA H H 14 8.260 8.260 8.135 0.125 18255
4460 1 11 . 1 1 15 15 GLN N N 15 119.100 119.100 120.031 -0.931 18255
4461 1 11 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.106 0.254 18255
4462 1 11 . 1 1 15 15 GLN C C 15 176.200 176.200 175.581 0.619 18255
4463 1 11 . 1 1 15 15 GLN CA C 15 55.900 55.900 56.359 -0.459 18255
4464 1 11 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.772 1.528 18255
4465 1 11 . 1 1 15 15 GLN H H 15 8.340 8.340 8.580 -0.240 18255
4466 1 11 . 1 1 16 16 THR N N 16 114.600 114.600 111.297 3.303 18255
4467 1 11 . 1 1 16 16 THR HA H 16 4.320 4.320 4.259 0.061 18255
4468 1 11 . 1 1 16 16 THR C C 16 174.300 174.300 174.276 0.024 18255
4469 1 11 . 1 1 16 16 THR CA C 16 61.900 61.900 61.754 0.146 18255
4470 1 11 . 1 1 16 16 THR CB C 16 69.700 69.700 67.513 2.187 18255
4471 1 11 . 1 1 16 16 THR H H 16 8.160 8.160 8.087 0.073 18255
4472 1 11 . 1 1 17 17 GLN N N 17 122.200 122.200 125.390 -3.190 18255
4473 1 11 . 1 1 17 17 GLN C C 17 175.800 175.800 176.235 -0.435 18255
4474 1 11 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.796 0.104 18255
4475 1 11 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.994 0.606 18255
4476 1 11 . 1 1 17 17 GLN H H 17 8.410 8.410 7.918 0.492 18255
4477 1 11 . 1 1 18 18 GLY N N 18 110.100 110.100 115.312 -5.212 18255
4478 1 11 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.098 0.502 18255
4479 1 11 . 1 1 18 18 GLY H H 18 8.340 8.340 8.294 0.046 18255
4480 1 11 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.429 0.001 18255
4481 1 11 . 1 1 19 19 PRO C C 19 177.500 177.500 176.792 0.708 18255
4482 1 11 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.483 1.017 18255
4483 1 11 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.363 -0.263 18255
4484 1 11 . 1 1 20 20 GLY N N 20 109.600 109.600 110.294 -0.694 18255
4485 1 11 . 1 1 20 20 GLY C C 20 174.000 174.000 172.676 1.324 18255
4486 1 11 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.954 0.246 18255
4487 1 11 . 1 1 20 20 GLY H H 20 8.620 8.620 8.622 -0.002 18255
4488 1 11 . 1 1 21 21 SER N N 21 115.300 115.300 117.548 -2.248 18255
4489 1 11 . 1 1 21 21 SER HA H 21 4.460 4.460 4.761 -0.301 18255
4490 1 11 . 1 1 21 21 SER C C 21 174.700 174.700 173.376 1.324 18255
4491 1 11 . 1 1 21 21 SER CA C 21 58.400 58.400 57.977 0.423 18255
4492 1 11 . 1 1 21 21 SER CB C 21 64.000 64.000 64.760 -0.760 18255
4493 1 11 . 1 1 21 21 SER H H 21 8.240 8.240 8.462 -0.222 18255
4494 1 11 . 1 1 22 22 MET N N 22 122.000 122.000 126.148 -4.148 18255
4495 1 11 . 1 1 22 22 MET HA H 22 4.530 4.530 4.671 -0.141 18255
4496 1 11 . 1 1 22 22 MET C C 22 176.000 176.000 175.544 0.456 18255
4497 1 11 . 1 1 22 22 MET CA C 22 55.700 55.700 55.053 0.647 18255
4498 1 11 . 1 1 22 22 MET CB C 22 32.600 32.600 31.293 1.307 18255
4499 1 11 . 1 1 22 22 MET H H 22 8.570 8.570 8.469 0.101 18255
4500 1 11 . 1 1 23 23 ASP N N 23 120.600 120.600 119.248 1.352 18255
4501 1 11 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.260 0.370 18255
4502 1 11 . 1 1 23 23 ASP C C 23 175.700 175.700 174.974 0.726 18255
4503 1 11 . 1 1 23 23 ASP CA C 23 54.800 54.800 55.504 -0.704 18255
4504 1 11 . 1 1 23 23 ASP CB C 23 41.000 41.000 39.858 1.142 18255
4505 1 11 . 1 1 23 23 ASP H H 23 8.330 8.330 8.171 0.159 18255
4506 1 11 . 1 1 24 24 ASP N N 24 119.800 119.800 118.622 1.178 18255
4507 1 11 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.573 0.087 18255
4508 1 11 . 1 1 24 24 ASP C C 24 175.800 175.800 176.006 -0.206 18255
4509 1 11 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.105 -0.005 18255
4510 1 11 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.125 -0.825 18255
4511 1 11 . 1 1 24 24 ASP H H 24 8.250 8.250 8.122 0.128 18255
4512 1 11 . 1 1 25 25 GLU N N 25 120.600 120.600 119.833 0.767 18255
4513 1 11 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.314 -0.094 18255
4514 1 11 . 1 1 25 25 GLU C C 25 175.200 175.200 175.921 -0.721 18255
4515 1 11 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.301 0.099 18255
4516 1 11 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.002 1.498 18255
4517 1 11 . 1 1 25 25 GLU H H 25 8.190 8.190 8.617 -0.427 18255
4518 1 11 . 1 1 26 26 LEU N N 26 121.500 121.500 125.856 -4.356 18255
4519 1 11 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.322 0.218 18255
4520 1 11 . 1 1 26 26 LEU C C 26 175.200 175.200 175.846 -0.646 18255
4521 1 11 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.550 -0.550 18255
4522 1 11 . 1 1 26 26 LEU CB C 26 43.700 43.700 43.048 0.652 18255
4523 1 11 . 1 1 26 26 LEU H H 26 8.270 8.270 8.611 -0.341 18255
4524 1 11 . 1 1 27 27 TYR N N 27 119.400 119.400 119.209 0.191 18255
4525 1 11 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.184 -0.214 18255
4526 1 11 . 1 1 27 27 TYR C C 27 173.100 173.100 175.005 -1.905 18255
4527 1 11 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.719 -0.019 18255
4528 1 11 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.230 1.670 18255
4529 1 11 . 1 1 27 27 TYR H H 27 9.250 9.250 8.861 0.389 18255
4530 1 11 . 1 1 28 28 PHE N N 28 114.700 114.700 119.365 -4.665 18255
4531 1 11 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.854 0.216 18255
4532 1 11 . 1 1 28 28 PHE C C 28 178.100 178.100 174.496 3.604 18255
4533 1 11 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.367 0.733 18255
4534 1 11 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.158 -1.658 18255
4535 1 11 . 1 1 28 28 PHE H H 28 9.510 9.510 9.258 0.252 18255
4536 1 11 . 1 1 29 29 VAL N N 29 121.100 121.100 121.875 -0.775 18255
4537 1 11 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.723 -0.243 18255
4538 1 11 . 1 1 29 29 VAL C C 29 175.200 175.200 175.027 0.173 18255
4539 1 11 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.429 1.571 18255
4540 1 11 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.390 -0.490 18255
4541 1 11 . 1 1 29 29 VAL H H 29 9.110 9.110 8.916 0.194 18255
4542 1 11 . 1 1 30 30 VAL N N 30 119.800 119.800 120.549 -0.749 18255
4543 1 11 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.403 0.147 18255
4544 1 11 . 1 1 30 30 VAL C C 30 173.800 173.800 173.977 -0.177 18255
4545 1 11 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.522 -1.522 18255
4546 1 11 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.547 -0.447 18255
4547 1 11 . 1 1 30 30 VAL H H 30 8.890 8.890 9.126 -0.236 18255
4548 1 11 . 1 1 31 31 ARG N N 31 119.700 119.700 117.294 2.406 18255
4549 1 11 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.968 0.222 18255
4550 1 11 . 1 1 31 31 ARG CA C 31 53.500 53.500 54.761 -1.261 18255
4551 1 11 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.682 0.418 18255
4552 1 11 . 1 1 31 31 ARG H H 31 8.980 8.980 9.049 -0.069 18255
4553 1 11 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.965 -0.725 18255
4554 1 11 . 1 1 32 32 ASN C C 32 176.600 176.600 174.585 2.015 18255
4555 1 11 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.834 -3.134 18255
4556 1 11 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.459 -3.759 18255
4557 1 11 . 1 1 33 33 ASN N N 33 114.800 114.800 117.373 -2.573 18255
4558 1 11 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.326 -0.036 18255
4559 1 11 . 1 1 33 33 ASN C C 33 175.600 175.600 174.997 0.603 18255
4560 1 11 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.436 0.064 18255
4561 1 11 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.468 0.332 18255
4562 1 11 . 1 1 33 33 ASN H H 33 7.760 7.760 8.911 -1.151 18255
4563 1 11 . 1 1 34 34 GLU N N 34 116.900 116.900 118.868 -1.968 18255
4564 1 11 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.239 0.071 18255
4565 1 11 . 1 1 34 34 GLU C C 34 176.200 176.200 177.390 -1.190 18255
4566 1 11 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.312 -0.412 18255
4567 1 11 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.014 -0.513 18255
4568 1 11 . 1 1 34 34 GLU H H 34 7.340 7.340 7.783 -0.443 18255
4569 1 11 . 1 1 35 35 GLY N N 35 107.000 107.000 107.943 -0.943 18255
4570 1 11 . 1 1 35 35 GLY C C 35 173.400 173.400 174.352 -0.952 18255
4571 1 11 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.298 0.102 18255
4572 1 11 . 1 1 35 35 GLY H H 35 7.720 7.720 8.537 -0.817 18255
4573 1 11 . 1 1 36 36 GLN N N 36 117.700 117.700 118.214 -0.514 18255
4574 1 11 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.446 0.834 18255
4575 1 11 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.410 0.090 18255
4576 1 11 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.636 -1.136 18255
4577 1 11 . 1 1 36 36 GLN H H 36 7.570 7.570 7.399 0.171 18255
4578 1 11 . 1 1 37 37 TYR C C 37 176.300 176.300 175.259 1.041 18255
4579 1 11 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.705 -0.205 18255
4580 1 11 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.663 2.137 18255
4581 1 11 . 1 1 38 38 SER N N 38 114.700 114.700 115.592 -0.892 18255
4582 1 11 . 1 1 38 38 SER HA H 38 5.770 5.770 4.913 0.857 18255
4583 1 11 . 1 1 38 38 SER C C 38 173.100 173.100 172.927 0.173 18255
4584 1 11 . 1 1 38 38 SER CA C 38 57.300 57.300 57.340 -0.040 18255
4585 1 11 . 1 1 38 38 SER CB C 38 64.400 64.400 66.296 -1.896 18255
4586 1 11 . 1 1 38 38 SER H H 38 9.230 9.230 8.995 0.235 18255
4587 1 11 . 1 1 39 39 VAL N N 39 114.000 114.000 116.407 -2.407 18255
4588 1 11 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.356 0.344 18255
4589 1 11 . 1 1 39 39 VAL C C 39 175.200 175.200 174.898 0.302 18255
4590 1 11 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.842 -0.942 18255
4591 1 11 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.363 -0.563 18255
4592 1 11 . 1 1 39 39 VAL H H 39 8.430 8.430 8.427 0.003 18255
4593 1 11 . 1 1 40 40 TRP N N 40 126.600 126.600 126.863 -0.263 18255
4594 1 11 . 1 1 40 40 TRP C C 40 174.000 174.000 174.018 -0.018 18255
4595 1 11 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.283 0.217 18255
4596 1 11 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.464 2.236 18255
4597 1 11 . 1 1 40 40 TRP H H 40 9.590 9.590 9.297 0.293 18255
4598 1 11 . 1 1 41 41 MET N N 41 127.700 127.700 126.780 0.920 18255
4599 1 11 . 1 1 41 41 MET HA H 41 3.470 3.470 3.409 0.061 18255
4600 1 11 . 1 1 41 41 MET C C 41 175.000 175.000 174.099 0.901 18255
4601 1 11 . 1 1 41 41 MET CA C 41 56.900 56.900 54.556 2.345 18255
4602 1 11 . 1 1 41 41 MET CB C 41 33.800 33.800 33.907 -0.107 18255
4603 1 11 . 1 1 41 41 MET H H 41 7.860 7.860 8.059 -0.199 18255
4604 1 11 . 1 1 42 42 ASP N N 42 123.400 123.400 125.730 -2.330 18255
4605 1 11 . 1 1 42 42 ASP HA H 42 4.520 4.520 3.849 0.671 18255
4606 1 11 . 1 1 42 42 ASP C C 42 176.800 176.800 177.179 -0.379 18255
4607 1 11 . 1 1 42 42 ASP CA C 42 55.500 55.500 54.947 0.554 18255
4608 1 11 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.577 -0.077 18255
4609 1 11 . 1 1 42 42 ASP H H 42 8.290 8.290 7.624 0.666 18255
4610 1 11 . 1 1 43 43 GLY N N 43 113.300 113.300 107.497 5.803 18255
4611 1 11 . 1 1 43 43 GLY C C 43 174.000 174.000 173.423 0.577 18255
4612 1 11 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.107 0.193 18255
4613 1 11 . 1 1 43 43 GLY H H 43 8.350 8.350 8.581 -0.231 18255
4614 1 11 . 1 1 44 44 ARG N N 44 119.600 119.600 118.693 0.907 18255
4615 1 11 . 1 1 44 44 ARG C C 44 176.600 176.600 174.601 1.999 18255
4616 1 11 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.444 0.356 18255
4617 1 11 . 1 1 44 44 ARG CB C 44 31.500 31.500 32.546 -1.046 18255
4618 1 11 . 1 1 44 44 ARG H H 44 7.560 7.560 7.595 -0.035 18255
4619 1 11 . 1 1 45 45 SER N N 45 121.000 121.000 115.838 5.162 18255
4620 1 11 . 1 1 45 45 SER HA H 45 4.310 4.310 5.034 -0.724 18255
4621 1 11 . 1 1 45 45 SER C C 45 174.300 174.300 173.985 0.315 18255
4622 1 11 . 1 1 45 45 SER CA C 45 59.400 59.400 57.643 1.757 18255
4623 1 11 . 1 1 45 45 SER CB C 45 63.200 63.200 64.987 -1.787 18255
4624 1 11 . 1 1 45 45 SER H H 45 8.830 8.830 8.535 0.295 18255
4625 1 11 . 1 1 46 46 LEU N N 46 127.900 127.900 126.628 1.272 18255
4626 1 11 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.000 -0.150 18255
4627 1 11 . 1 1 46 46 LEU CA C 46 53.000 53.000 53.243 -0.243 18255
4628 1 11 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.422 0.778 18255
4629 1 11 . 1 1 46 46 LEU H H 46 8.610 8.610 8.268 0.342 18255
4630 1 11 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.419 -0.239 18255
4631 1 11 . 1 1 47 47 PRO C C 47 175.700 175.700 176.298 -0.598 18255
4632 1 11 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.231 -0.431 18255
4633 1 11 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.314 -1.214 18255
4634 1 11 . 1 1 48 48 ALA N N 48 123.600 123.600 124.220 -0.620 18255
4635 1 11 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.155 -0.055 18255
4636 1 11 . 1 1 48 48 ALA C C 48 178.800 178.800 178.387 0.413 18255
4637 1 11 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.954 -0.454 18255
4638 1 11 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.891 -0.691 18255
4639 1 11 . 1 1 48 48 ALA H H 48 8.260 8.260 8.249 0.011 18255
4640 1 11 . 1 1 49 49 GLY N N 49 110.200 110.200 111.476 -1.276 18255
4641 1 11 . 1 1 49 49 GLY C C 49 173.800 173.800 173.879 -0.079 18255
4642 1 11 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.566 0.534 18255
4643 1 11 . 1 1 49 49 GLY H H 49 8.720 8.720 8.515 0.205 18255
4644 1 11 . 1 1 50 50 TRP N N 50 119.900 119.900 121.980 -2.080 18255
4645 1 11 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.929 -0.259 18255
4646 1 11 . 1 1 50 50 TRP C C 50 174.900 174.900 175.598 -0.698 18255
4647 1 11 . 1 1 50 50 TRP CA C 50 56.200 56.200 56.835 -0.635 18255
4648 1 11 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.732 -0.332 18255
4649 1 11 . 1 1 50 50 TRP H H 50 7.640 7.640 7.986 -0.346 18255
4650 1 11 . 1 1 51 51 GLU N N 51 118.200 118.200 120.244 -2.044 18255
4651 1 11 . 1 1 51 51 GLU C C 51 175.400 175.400 175.447 -0.047 18255
4652 1 11 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.383 -0.083 18255
4653 1 11 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.434 1.167 18255
4654 1 11 . 1 1 51 51 GLU H H 51 8.650 8.650 8.986 -0.336 18255
4655 1 11 . 1 1 52 52 THR N N 52 112.200 112.200 112.920 -0.720 18255
4656 1 11 . 1 1 52 52 THR C C 52 174.800 174.800 174.433 0.367 18255
4657 1 11 . 1 1 52 52 THR CA C 52 62.000 62.000 60.201 1.799 18255
4658 1 11 . 1 1 52 52 THR CB C 52 70.000 70.000 70.505 -0.506 18255
4659 1 11 . 1 1 52 52 THR H H 52 8.450 8.450 8.449 0.001 18255
4660 1 11 . 1 1 53 53 VAL N N 53 122.300 122.300 114.062 8.238 18255
4661 1 11 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.463 -0.193 18255
4662 1 11 . 1 1 53 53 VAL C C 53 176.200 176.200 173.899 2.301 18255
4663 1 11 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.626 0.674 18255
4664 1 11 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.626 -1.626 18255
4665 1 11 . 1 1 53 53 VAL H H 53 8.800 8.800 8.751 0.049 18255
4666 1 11 . 1 1 54 54 GLY N N 54 115.400 115.400 108.152 7.248 18255
4667 1 11 . 1 1 54 54 GLY C C 54 173.100 173.100 173.001 0.099 18255
4668 1 11 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.177 -0.277 18255
4669 1 11 . 1 1 54 54 GLY H H 54 8.830 8.830 8.220 0.610 18255
4670 1 11 . 1 1 55 55 GLU N N 55 119.000 119.000 121.675 -2.675 18255
4671 1 11 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.747 -0.027 18255
4672 1 11 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.109 -1.509 18255
4673 1 11 . 1 1 55 55 GLU H H 55 8.390 8.390 8.582 -0.192 18255
4674 1 11 . 1 1 56 56 PRO HA H 56 4.420 4.420 3.985 0.435 18255
4675 1 11 . 1 1 56 56 PRO C C 56 176.200 176.200 175.666 0.534 18255
4676 1 11 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.323 0.577 18255
4677 1 11 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.116 0.383 18255
4678 1 11 . 1 1 57 57 ALA N N 57 124.300 124.300 127.550 -3.250 18255
4679 1 11 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.432 0.198 18255
4680 1 11 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.093 0.207 18255
4681 1 11 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.458 -0.258 18255
4682 1 11 . 1 1 57 57 ALA H H 57 9.580 9.580 8.634 0.946 18255
4683 1 11 . 1 1 58 58 THR N N 58 108.700 108.700 114.327 -5.627 18255
4684 1 11 . 1 1 58 58 THR C C 58 175.700 175.700 176.430 -0.730 18255
4685 1 11 . 1 1 58 58 THR CA C 58 62.200 62.200 62.013 0.187 18255
4686 1 11 . 1 1 58 58 THR CB C 58 70.600 70.600 70.422 0.178 18255
4687 1 11 . 1 1 58 58 THR H H 58 8.070 8.070 8.100 -0.030 18255
4688 1 11 . 1 1 59 59 LYS N N 59 123.400 123.400 124.029 -0.629 18255
4689 1 11 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.338 -0.168 18255
4690 1 11 . 1 1 59 59 LYS C C 59 178.100 178.100 178.386 -0.286 18255
4691 1 11 . 1 1 59 59 LYS CA C 59 61.300 61.300 60.069 1.231 18255
4692 1 11 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.777 -0.077 18255
4693 1 11 . 1 1 59 59 LYS H H 59 9.420 9.420 8.772 0.648 18255
4694 1 11 . 1 1 60 60 GLN N N 60 114.800 114.800 117.137 -2.337 18255
4695 1 11 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.938 -0.068 18255
4696 1 11 . 1 1 60 60 GLN C C 60 178.600 178.600 178.417 0.183 18255
4697 1 11 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.063 0.137 18255
4698 1 11 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.101 -0.001 18255
4699 1 11 . 1 1 60 60 GLN H H 60 8.610 8.610 8.542 0.068 18255
4700 1 11 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.077 -0.047 18255
4701 1 11 . 1 1 61 61 GLN C C 61 179.700 179.700 178.239 1.461 18255
4702 1 11 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.456 0.444 18255
4703 1 11 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.334 0.366 18255
4704 1 11 . 1 1 61 61 GLN H H 61 7.690 7.690 7.763 -0.073 18255
4705 1 11 . 1 1 62 62 CYS N N 62 118.800 118.800 119.703 -0.903 18255
4706 1 11 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.095 -0.205 18255
4707 1 11 . 1 1 62 62 CYS C C 62 176.400 176.400 176.966 -0.566 18255
4708 1 11 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.201 0.600 18255
4709 1 11 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.683 -0.483 18255
4710 1 11 . 1 1 62 62 CYS H H 62 8.460 8.460 8.102 0.358 18255
4711 1 11 . 1 1 63 63 LEU N N 63 119.200 119.200 118.819 0.381 18255
4712 1 11 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.093 -0.203 18255
4713 1 11 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.221 -0.121 18255
4714 1 11 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.408 0.492 18255
4715 1 11 . 1 1 63 63 LEU H H 63 8.350 8.350 8.136 0.214 18255
4716 1 11 . 1 1 64 64 GLN N N 64 119.000 119.000 120.304 -1.304 18255
4717 1 11 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.198 -0.168 18255
4718 1 11 . 1 1 64 64 GLN C C 64 178.400 178.400 178.326 0.074 18255
4719 1 11 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.783 -0.183 18255
4720 1 11 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.567 -0.267 18255
4721 1 11 . 1 1 64 64 GLN H H 64 7.910 7.910 7.790 0.120 18255
4722 1 11 . 1 1 65 65 ARG N N 65 120.000 120.000 120.106 -0.106 18255
4723 1 11 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.099 -0.099 18255
4724 1 11 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.481 -0.181 18255
4725 1 11 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.277 -0.377 18255
4726 1 11 . 1 1 65 65 ARG H H 65 7.940 7.940 7.902 0.038 18255
4727 1 11 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.925 -0.555 18255
4728 1 11 . 1 1 66 66 ILE C C 66 176.700 176.700 177.908 -1.208 18255
4729 1 11 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.376 1.125 18255
4730 1 11 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.752 0.148 18255
4731 1 11 . 1 1 67 67 GLU N N 67 118.400 118.400 121.843 -3.443 18255
4732 1 11 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.129 -0.179 18255
4733 1 11 . 1 1 67 67 GLU C C 67 178.600 178.600 179.133 -0.533 18255
4734 1 11 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.963 0.337 18255
4735 1 11 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.373 -0.073 18255
4736 1 11 . 1 1 67 67 GLU H H 67 7.600 7.600 8.165 -0.565 18255
4737 1 11 . 1 1 68 68 GLN N N 68 116.400 116.400 115.647 0.753 18255
4738 1 11 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.206 -0.086 18255
4739 1 11 . 1 1 68 68 GLN C C 68 177.400 177.400 177.261 0.139 18255
4740 1 11 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.990 0.609 18255
4741 1 11 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.770 -0.170 18255
4742 1 11 . 1 1 68 68 GLN H H 68 7.620 7.620 7.993 -0.373 18255
4743 1 11 . 1 1 69 69 LEU N N 69 120.000 120.000 118.383 1.617 18255
4744 1 11 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.493 -0.403 18255
4745 1 11 . 1 1 69 69 LEU C C 69 176.600 176.600 177.688 -1.088 18255
4746 1 11 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.212 0.588 18255
4747 1 11 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.752 -0.852 18255
4748 1 11 . 1 1 69 69 LEU H H 69 7.900 7.900 7.292 0.608 18255
4749 1 11 . 1 1 70 70 TRP N N 70 119.200 119.200 119.237 -0.037 18255
4750 1 11 . 1 1 70 70 TRP C C 70 177.100 177.100 177.989 -0.889 18255
4751 1 11 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.712 -1.712 18255
4752 1 11 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.469 -2.169 18255
4753 1 11 . 1 1 70 70 TRP H H 70 8.120 8.120 8.327 -0.207 18255
4754 1 11 . 1 1 71 71 THR N N 71 114.500 114.500 114.872 -0.372 18255
4755 1 11 . 1 1 71 71 THR HA H 71 4.160 4.160 4.316 -0.156 18255
4756 1 11 . 1 1 71 71 THR C C 71 174.700 174.700 175.207 -0.507 18255
4757 1 11 . 1 1 71 71 THR CA C 71 63.700 63.700 65.055 -1.355 18255
4758 1 11 . 1 1 71 71 THR CB C 71 69.500 69.500 68.305 1.195 18255
4759 1 11 . 1 1 71 71 THR H H 71 7.960 7.960 7.896 0.064 18255
4760 1 11 . 1 1 72 72 ASP N N 72 120.700 120.700 120.022 0.678 18255
4761 1 11 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.345 0.215 18255
4762 1 11 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.132 -1.132 18255
4763 1 11 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.281 0.519 18255
4764 1 11 . 1 1 72 72 ASP H H 72 8.140 8.140 8.087 0.053 18255
4765 1 11 . 1 1 74 74 VAL N N 74 121.700 121.700 125.977 -4.277 18255
4766 1 11 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.398 -0.058 18255
4767 1 11 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.760 1.340 18255
4768 1 11 . 1 1 74 74 VAL CB C 74 32.500 32.500 32.986 -0.486 18255
4769 1 11 . 1 1 74 74 VAL H H 74 7.950 7.950 8.018 -0.068 18255
4770 1 11 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.506 -0.126 18255
4771 1 11 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.495 0.805 18255
4772 1 11 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.274 -0.074 18255
4773 1 11 . 1 1 76 76 ALA N N 76 124.200 124.200 121.352 2.848 18255
4774 1 11 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.001 0.139 18255
4775 1 11 . 1 1 76 76 ALA C C 76 178.400 178.400 179.835 -1.435 18255
4776 1 11 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.854 -1.054 18255
4777 1 11 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.147 0.553 18255
4778 1 11 . 1 1 76 76 ALA H H 76 8.600 8.600 8.408 0.192 18255
4779 1 11 . 1 1 77 77 SER N N 77 112.900 112.900 113.741 -0.841 18255
4780 1 11 . 1 1 77 77 SER HA H 77 4.340 4.340 4.083 0.257 18255
4781 1 11 . 1 1 77 77 SER C C 77 175.200 175.200 176.252 -1.052 18255
4782 1 11 . 1 1 77 77 SER CA C 77 59.200 59.200 61.002 -1.802 18255
4783 1 11 . 1 1 77 77 SER CB C 77 63.200 63.200 62.765 0.435 18255
4784 1 11 . 1 1 77 77 SER H H 77 8.310 8.310 8.113 0.197 18255
4785 1 11 . 1 1 78 78 VAL N N 78 121.700 121.700 121.560 0.140 18255
4786 1 11 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.570 0.450 18255
4787 1 11 . 1 1 78 78 VAL C C 78 176.600 176.600 177.108 -0.508 18255
4788 1 11 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.926 -2.526 18255
4789 1 11 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.884 0.415 18255
4790 1 11 . 1 1 78 78 VAL H H 78 7.810 7.810 8.060 -0.250 18255
4791 1 11 . 1 1 79 79 ARG N N 79 121.900 121.900 118.471 3.429 18255
4792 1 11 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.043 0.117 18255
4793 1 11 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.970 -2.670 18255
4794 1 11 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.995 0.504 18255
4795 1 11 . 1 1 79 79 ARG H H 79 8.100 8.100 7.805 0.295 18255
4796 1 11 . 1 1 80 80 GLU N N 80 119.600 119.600 119.460 0.140 18255
4797 1 11 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.617 0.383 18255
4798 1 11 . 1 1 80 80 GLU H H 80 8.260 8.260 7.964 0.296 18255
4799 1 11 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.590 -0.040 18255
4800 1 11 . 1 1 81 81 HIS C C 81 175.600 175.600 176.588 -0.988 18255
4801 1 11 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.710 -1.510 18255
4802 1 11 . 1 1 81 81 HIS CB C 81 30.400 30.400 31.337 -0.937 18255
4803 1 11 . 1 1 82 82 LEU N N 82 121.500 121.500 120.405 1.095 18255
4804 1 11 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.363 -0.103 18255
4805 1 11 . 1 1 82 82 LEU C C 82 177.200 177.200 176.628 0.572 18255
4806 1 11 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.460 0.140 18255
4807 1 11 . 1 1 82 82 LEU CB C 82 42.100 42.100 43.170 -1.070 18255
4808 1 11 . 1 1 82 82 LEU H H 82 8.120 8.120 7.966 0.154 18255
4809 1 11 . 1 1 83 83 ASN N N 83 118.300 118.300 118.372 -0.072 18255
4810 1 11 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.592 0.048 18255
4811 1 11 . 1 1 83 83 ASN CA C 83 53.500 53.500 54.240 -0.740 18255
4812 1 11 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.522 0.078 18255
4813 1 11 . 1 1 83 83 ASN H H 83 8.400 8.400 8.035 0.365 18255
4814 1 11 . 1 1 85 85 HIS C C 85 174.900 174.900 173.800 1.100 18255
4815 1 11 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.137 1.163 18255
4816 1 11 . 1 1 85 85 HIS CB C 85 30.600 30.600 32.875 -2.275 18255
4817 1 11 . 1 1 86 86 SER N N 86 116.700 116.700 119.323 -2.623 18255
4818 1 11 . 1 1 86 86 SER C C 86 174.100 174.100 174.134 -0.034 18255
4819 1 11 . 1 1 86 86 SER CA C 86 58.400 58.400 58.365 0.035 18255
4820 1 11 . 1 1 86 86 SER CB C 86 64.300 64.300 62.632 1.668 18255
4821 1 11 . 1 1 86 86 SER H H 86 8.220 8.220 8.458 -0.238 18255
4822 1 11 . 1 1 87 87 GLY N N 87 110.400 110.400 113.213 -2.813 18255
4823 1 11 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.156 0.344 18255
4824 1 11 . 1 1 87 87 GLY H H 87 8.310 8.310 7.809 0.501 18255
4825 1 11 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.742 -0.372 18255
4826 1 11 . 1 1 88 88 PRO C C 88 177.400 177.400 176.668 0.732 18255
4827 1 11 . 1 1 88 88 PRO CA C 88 63.200 63.200 61.755 1.445 18255
4828 1 11 . 1 1 88 88 PRO CB C 88 32.000 32.000 33.068 -1.068 18255
4829 1 11 . 1 1 89 89 GLY N N 89 109.300 109.300 108.309 0.991 18255
4830 1 11 . 1 1 89 89 GLY C C 89 173.800 173.800 174.789 -0.989 18255
4831 1 11 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.144 0.056 18255
4832 1 11 . 1 1 89 89 GLY H H 89 8.500 8.500 8.136 0.364 18255
4833 1 11 . 1 1 90 90 ILE N N 90 119.600 119.600 127.529 -7.929 18255
4834 1 11 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.144 -0.064 18255
4835 1 11 . 1 1 90 90 ILE C C 90 175.400 175.400 175.552 -0.152 18255
4836 1 11 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.131 0.869 18255
4837 1 11 . 1 1 90 90 ILE CB C 90 38.900 38.900 35.218 3.683 18255
4838 1 11 . 1 1 90 90 ILE H H 90 7.910 7.910 8.295 -0.385 18255
4839 1 11 . 1 1 91 91 ASP N N 91 123.400 123.400 126.453 -3.053 18255
4840 1 11 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.935 -0.365 18255
4841 1 11 . 1 1 91 91 ASP C C 91 175.700 175.700 174.392 1.308 18255
4842 1 11 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.288 0.612 18255
4843 1 11 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.328 -2.228 18255
4844 1 11 . 1 1 91 91 ASP H H 91 8.350 8.350 8.038 0.312 18255
4845 1 11 . 1 1 92 92 TYR N N 92 120.800 120.800 114.685 6.115 18255
4846 1 11 . 1 1 92 92 TYR HA H 92 4.460 4.460 5.065 -0.605 18255
4847 1 11 . 1 1 92 92 TYR C C 92 175.200 175.200 173.891 1.309 18255
4848 1 11 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.588 0.412 18255
4849 1 11 . 1 1 92 92 TYR CB C 92 38.600 38.600 39.882 -1.282 18255
4850 1 11 . 1 1 92 92 TYR H H 92 8.050 8.050 8.180 -0.130 18255
4851 1 11 . 1 1 93 93 ALA N N 93 124.700 124.700 124.489 0.211 18255
4852 1 11 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.398 -0.098 18255
4853 1 11 . 1 1 93 93 ALA C C 93 177.100 177.100 175.779 1.321 18255
4854 1 11 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.449 0.951 18255
4855 1 11 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.401 -0.101 18255
4856 1 11 . 1 1 93 93 ALA H H 93 8.170 8.170 8.092 0.078 18255
4857 1 11 . 1 1 94 94 VAL N N 94 119.400 119.400 120.941 -1.541 18255
4858 1 11 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.911 0.139 18255
4859 1 11 . 1 1 94 94 VAL C C 94 175.100 175.100 176.118 -1.018 18255
4860 1 11 . 1 1 94 94 VAL CA C 94 62.400 62.400 63.060 -0.660 18255
4861 1 11 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.446 -0.146 18255
4862 1 11 . 1 1 94 94 VAL H H 94 8.000 8.000 8.426 -0.426 18255
4863 1 12 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.221 -0.261 18255
4864 1 12 . 1 1 2 2 ALA CA C 2 51.700 51.700 54.315 -2.615 18255
4865 1 12 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.882 0.818 18255
4866 1 12 . 1 1 8 8 HIS C C 8 175.200 175.200 173.983 1.217 18255
4867 1 12 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.552 0.048 18255
4868 1 12 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.354 0.446 18255
4869 1 12 . 1 1 9 9 MET N N 9 121.800 121.800 124.916 -3.116 18255
4870 1 12 . 1 1 9 9 MET C C 9 176.400 176.400 174.232 2.168 18255
4871 1 12 . 1 1 9 9 MET CA C 9 55.800 55.800 55.143 0.657 18255
4872 1 12 . 1 1 9 9 MET CB C 9 32.800 32.800 34.967 -2.167 18255
4873 1 12 . 1 1 9 9 MET H H 9 8.470 8.470 8.409 0.061 18255
4874 1 12 . 1 1 10 10 GLY N N 10 109.800 109.800 111.570 -1.770 18255
4875 1 12 . 1 1 10 10 GLY C C 10 174.100 174.100 174.664 -0.564 18255
4876 1 12 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.842 0.458 18255
4877 1 12 . 1 1 10 10 GLY H H 10 8.490 8.490 8.294 0.196 18255
4878 1 12 . 1 1 11 11 THR N N 11 113.600 113.600 114.710 -1.110 18255
4879 1 12 . 1 1 11 11 THR HA H 11 3.710 3.710 4.250 -0.540 18255
4880 1 12 . 1 1 11 11 THR C C 11 174.600 174.600 175.573 -0.973 18255
4881 1 12 . 1 1 11 11 THR CA C 11 62.400 62.400 64.165 -1.765 18255
4882 1 12 . 1 1 11 11 THR CB C 11 70.100 70.100 69.259 0.841 18255
4883 1 12 . 1 1 11 11 THR H H 11 8.100 8.100 8.400 -0.300 18255
4884 1 12 . 1 1 12 12 LEU N N 12 123.900 123.900 117.347 6.553 18255
4885 1 12 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.615 -0.315 18255
4886 1 12 . 1 1 12 12 LEU C C 12 177.400 177.400 176.318 1.082 18255
4887 1 12 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.903 0.697 18255
4888 1 12 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.951 -0.851 18255
4889 1 12 . 1 1 12 12 LEU H H 12 8.350 8.350 7.702 0.648 18255
4890 1 12 . 1 1 13 13 GLU N N 13 121.300 121.300 120.887 0.413 18255
4891 1 12 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.314 -0.124 18255
4892 1 12 . 1 1 13 13 GLU C C 13 176.200 176.200 175.706 0.494 18255
4893 1 12 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.340 0.560 18255
4894 1 12 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.011 1.989 18255
4895 1 12 . 1 1 13 13 GLU H H 13 8.420 8.420 8.572 -0.152 18255
4896 1 12 . 1 1 14 14 ALA N N 14 124.100 124.100 127.182 -3.082 18255
4897 1 12 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.610 -0.350 18255
4898 1 12 . 1 1 14 14 ALA C C 14 177.700 177.700 176.230 1.470 18255
4899 1 12 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.748 0.952 18255
4900 1 12 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.035 -0.935 18255
4901 1 12 . 1 1 14 14 ALA H H 14 8.260 8.260 7.854 0.406 18255
4902 1 12 . 1 1 15 15 GLN N N 15 119.100 119.100 116.789 2.311 18255
4903 1 12 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.238 0.122 18255
4904 1 12 . 1 1 15 15 GLN C C 15 176.200 176.200 175.663 0.537 18255
4905 1 12 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.597 0.303 18255
4906 1 12 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.344 -0.044 18255
4907 1 12 . 1 1 15 15 GLN H H 15 8.340 8.340 7.624 0.716 18255
4908 1 12 . 1 1 16 16 THR N N 16 114.600 114.600 113.170 1.430 18255
4909 1 12 . 1 1 16 16 THR HA H 16 4.320 4.320 4.420 -0.100 18255
4910 1 12 . 1 1 16 16 THR C C 16 174.300 174.300 173.949 0.351 18255
4911 1 12 . 1 1 16 16 THR CA C 16 61.900 61.900 62.835 -0.935 18255
4912 1 12 . 1 1 16 16 THR CB C 16 69.700 69.700 69.187 0.513 18255
4913 1 12 . 1 1 16 16 THR H H 16 8.160 8.160 8.308 -0.148 18255
4914 1 12 . 1 1 17 17 GLN N N 17 122.200 122.200 119.124 3.076 18255
4915 1 12 . 1 1 17 17 GLN C C 17 175.800 175.800 174.176 1.624 18255
4916 1 12 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.393 1.507 18255
4917 1 12 . 1 1 17 17 GLN CB C 17 29.600 29.600 30.676 -1.076 18255
4918 1 12 . 1 1 17 17 GLN H H 17 8.410 8.410 7.764 0.646 18255
4919 1 12 . 1 1 18 18 GLY N N 18 110.100 110.100 105.998 4.102 18255
4920 1 12 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.362 1.238 18255
4921 1 12 . 1 1 18 18 GLY H H 18 8.340 8.340 8.448 -0.108 18255
4922 1 12 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.364 0.066 18255
4923 1 12 . 1 1 19 19 PRO C C 19 177.500 177.500 176.551 0.949 18255
4924 1 12 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.759 0.741 18255
4925 1 12 . 1 1 19 19 PRO CB C 19 32.100 32.100 30.618 1.482 18255
4926 1 12 . 1 1 20 20 GLY N N 20 109.600 109.600 111.768 -2.168 18255
4927 1 12 . 1 1 20 20 GLY C C 20 174.000 174.000 173.626 0.374 18255
4928 1 12 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.671 0.529 18255
4929 1 12 . 1 1 20 20 GLY H H 20 8.620 8.620 8.399 0.221 18255
4930 1 12 . 1 1 21 21 SER N N 21 115.300 115.300 117.253 -1.953 18255
4931 1 12 . 1 1 21 21 SER HA H 21 4.460 4.460 4.751 -0.291 18255
4932 1 12 . 1 1 21 21 SER C C 21 174.700 174.700 174.448 0.252 18255
4933 1 12 . 1 1 21 21 SER CA C 21 58.400 58.400 57.519 0.881 18255
4934 1 12 . 1 1 21 21 SER CB C 21 64.000 64.000 64.298 -0.298 18255
4935 1 12 . 1 1 21 21 SER H H 21 8.240 8.240 7.960 0.280 18255
4936 1 12 . 1 1 22 22 MET N N 22 122.000 122.000 122.057 -0.057 18255
4937 1 12 . 1 1 22 22 MET HA H 22 4.530 4.530 4.824 -0.294 18255
4938 1 12 . 1 1 22 22 MET C C 22 176.000 176.000 175.528 0.472 18255
4939 1 12 . 1 1 22 22 MET CA C 22 55.700 55.700 54.884 0.816 18255
4940 1 12 . 1 1 22 22 MET CB C 22 32.600 32.600 32.572 0.028 18255
4941 1 12 . 1 1 22 22 MET H H 22 8.570 8.570 8.589 -0.019 18255
4942 1 12 . 1 1 23 23 ASP N N 23 120.600 120.600 122.375 -1.775 18255
4943 1 12 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.804 -0.174 18255
4944 1 12 . 1 1 23 23 ASP C C 23 175.700 175.700 175.510 0.190 18255
4945 1 12 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.640 1.160 18255
4946 1 12 . 1 1 23 23 ASP CB C 23 41.000 41.000 44.115 -3.115 18255
4947 1 12 . 1 1 23 23 ASP H H 23 8.330 8.330 7.595 0.735 18255
4948 1 12 . 1 1 24 24 ASP N N 24 119.800 119.800 122.146 -2.346 18255
4949 1 12 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.535 0.125 18255
4950 1 12 . 1 1 24 24 ASP C C 24 175.800 175.800 176.360 -0.560 18255
4951 1 12 . 1 1 24 24 ASP CA C 24 54.100 54.100 55.174 -1.074 18255
4952 1 12 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.392 -0.092 18255
4953 1 12 . 1 1 24 24 ASP H H 24 8.250 8.250 8.602 -0.352 18255
4954 1 12 . 1 1 25 25 GLU N N 25 120.600 120.600 121.672 -1.072 18255
4955 1 12 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.338 -0.118 18255
4956 1 12 . 1 1 25 25 GLU C C 25 175.200 175.200 175.633 -0.433 18255
4957 1 12 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.271 1.129 18255
4958 1 12 . 1 1 25 25 GLU CB C 25 30.500 30.500 27.683 2.817 18255
4959 1 12 . 1 1 25 25 GLU H H 25 8.190 8.190 8.027 0.163 18255
4960 1 12 . 1 1 26 26 LEU N N 26 121.500 121.500 124.736 -3.236 18255
4961 1 12 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.232 0.308 18255
4962 1 12 . 1 1 26 26 LEU C C 26 175.200 175.200 176.101 -0.901 18255
4963 1 12 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.100 -1.100 18255
4964 1 12 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.812 0.888 18255
4965 1 12 . 1 1 26 26 LEU H H 26 8.270 8.270 8.077 0.193 18255
4966 1 12 . 1 1 27 27 TYR N N 27 119.400 119.400 117.275 2.125 18255
4967 1 12 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.019 -0.049 18255
4968 1 12 . 1 1 27 27 TYR C C 27 173.100 173.100 174.951 -1.851 18255
4969 1 12 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.222 -0.522 18255
4970 1 12 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.532 1.368 18255
4971 1 12 . 1 1 27 27 TYR H H 27 9.250 9.250 8.660 0.590 18255
4972 1 12 . 1 1 28 28 PHE N N 28 114.700 114.700 120.244 -5.544 18255
4973 1 12 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.841 0.229 18255
4974 1 12 . 1 1 28 28 PHE C C 28 178.100 178.100 174.198 3.902 18255
4975 1 12 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.585 0.515 18255
4976 1 12 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.608 -1.108 18255
4977 1 12 . 1 1 28 28 PHE H H 28 9.510 9.510 9.355 0.155 18255
4978 1 12 . 1 1 29 29 VAL N N 29 121.100 121.100 121.443 -0.343 18255
4979 1 12 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.692 -0.212 18255
4980 1 12 . 1 1 29 29 VAL C C 29 175.200 175.200 174.936 0.264 18255
4981 1 12 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.014 1.986 18255
4982 1 12 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.670 -0.770 18255
4983 1 12 . 1 1 29 29 VAL H H 29 9.110 9.110 8.824 0.286 18255
4984 1 12 . 1 1 30 30 VAL N N 30 119.800 119.800 119.701 0.099 18255
4985 1 12 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.498 0.052 18255
4986 1 12 . 1 1 30 30 VAL C C 30 173.800 173.800 174.114 -0.314 18255
4987 1 12 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.880 -0.880 18255
4988 1 12 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.088 0.012 18255
4989 1 12 . 1 1 30 30 VAL H H 30 8.890 8.890 9.079 -0.189 18255
4990 1 12 . 1 1 31 31 ARG N N 31 119.700 119.700 116.910 2.790 18255
4991 1 12 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.717 0.473 18255
4992 1 12 . 1 1 31 31 ARG CA C 31 53.500 53.500 54.973 -1.473 18255
4993 1 12 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.111 0.989 18255
4994 1 12 . 1 1 31 31 ARG H H 31 8.980 8.980 8.967 0.013 18255
4995 1 12 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.975 -0.735 18255
4996 1 12 . 1 1 32 32 ASN C C 32 176.600 176.600 174.974 1.626 18255
4997 1 12 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.995 -3.295 18255
4998 1 12 . 1 1 32 32 ASN CB C 32 36.700 36.700 41.124 -4.424 18255
4999 1 12 . 1 1 33 33 ASN N N 33 114.800 114.800 116.936 -2.136 18255
5000 1 12 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.294 -0.004 18255
5001 1 12 . 1 1 33 33 ASN C C 33 175.600 175.600 175.292 0.308 18255
5002 1 12 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.136 0.364 18255
5003 1 12 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.041 0.759 18255
5004 1 12 . 1 1 33 33 ASN H H 33 7.760 7.760 8.856 -1.096 18255
5005 1 12 . 1 1 34 34 GLU N N 34 116.900 116.900 118.373 -1.473 18255
5006 1 12 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.325 -0.015 18255
5007 1 12 . 1 1 34 34 GLU C C 34 176.200 176.200 177.524 -1.324 18255
5008 1 12 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.245 -0.345 18255
5009 1 12 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.730 -0.230 18255
5010 1 12 . 1 1 34 34 GLU H H 34 7.340 7.340 7.881 -0.541 18255
5011 1 12 . 1 1 35 35 GLY N N 35 107.000 107.000 107.981 -0.981 18255
5012 1 12 . 1 1 35 35 GLY C C 35 173.400 173.400 173.704 -0.304 18255
5013 1 12 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.392 0.008 18255
5014 1 12 . 1 1 35 35 GLY H H 35 7.720 7.720 8.516 -0.796 18255
5015 1 12 . 1 1 36 36 GLN N N 36 117.700 117.700 118.315 -0.615 18255
5016 1 12 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.215 0.065 18255
5017 1 12 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.102 0.398 18255
5018 1 12 . 1 1 36 36 GLN CB C 36 29.500 29.500 31.195 -1.695 18255
5019 1 12 . 1 1 36 36 GLN H H 36 7.570 7.570 7.526 0.044 18255
5020 1 12 . 1 1 37 37 TYR C C 37 176.300 176.300 175.868 0.432 18255
5021 1 12 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.480 0.020 18255
5022 1 12 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.962 1.838 18255
5023 1 12 . 1 1 38 38 SER N N 38 114.700 114.700 115.039 -0.339 18255
5024 1 12 . 1 1 38 38 SER HA H 38 5.770 5.770 4.886 0.884 18255
5025 1 12 . 1 1 38 38 SER C C 38 173.100 173.100 172.801 0.299 18255
5026 1 12 . 1 1 38 38 SER CA C 38 57.300 57.300 57.596 -0.296 18255
5027 1 12 . 1 1 38 38 SER CB C 38 64.400 64.400 66.512 -2.112 18255
5028 1 12 . 1 1 38 38 SER H H 38 9.230 9.230 8.871 0.359 18255
5029 1 12 . 1 1 39 39 VAL N N 39 114.000 114.000 116.027 -2.027 18255
5030 1 12 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.288 0.412 18255
5031 1 12 . 1 1 39 39 VAL C C 39 175.200 175.200 174.604 0.596 18255
5032 1 12 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.499 -0.599 18255
5033 1 12 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.897 -1.097 18255
5034 1 12 . 1 1 39 39 VAL H H 39 8.430 8.430 8.572 -0.142 18255
5035 1 12 . 1 1 40 40 TRP N N 40 126.600 126.600 124.983 1.617 18255
5036 1 12 . 1 1 40 40 TRP C C 40 174.000 174.000 173.817 0.183 18255
5037 1 12 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.266 0.235 18255
5038 1 12 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.866 1.834 18255
5039 1 12 . 1 1 40 40 TRP H H 40 9.590 9.590 9.378 0.212 18255
5040 1 12 . 1 1 41 41 MET N N 41 127.700 127.700 124.622 3.078 18255
5041 1 12 . 1 1 41 41 MET HA H 41 3.470 3.470 3.429 0.041 18255
5042 1 12 . 1 1 41 41 MET C C 41 175.000 175.000 174.139 0.861 18255
5043 1 12 . 1 1 41 41 MET CA C 41 56.900 56.900 54.783 2.117 18255
5044 1 12 . 1 1 41 41 MET CB C 41 33.800 33.800 33.455 0.345 18255
5045 1 12 . 1 1 41 41 MET H H 41 7.860 7.860 7.754 0.106 18255
5046 1 12 . 1 1 42 42 ASP N N 42 123.400 123.400 126.521 -3.121 18255
5047 1 12 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.479 0.041 18255
5048 1 12 . 1 1 42 42 ASP C C 42 176.800 176.800 177.158 -0.358 18255
5049 1 12 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.809 -0.308 18255
5050 1 12 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.737 -0.237 18255
5051 1 12 . 1 1 42 42 ASP H H 42 8.290 8.290 7.955 0.335 18255
5052 1 12 . 1 1 43 43 GLY N N 43 113.300 113.300 113.281 0.019 18255
5053 1 12 . 1 1 43 43 GLY C C 43 174.000 174.000 174.318 -0.318 18255
5054 1 12 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.000 0.300 18255
5055 1 12 . 1 1 43 43 GLY H H 43 8.350 8.350 8.499 -0.149 18255
5056 1 12 . 1 1 44 44 ARG N N 44 119.600 119.600 122.627 -3.027 18255
5057 1 12 . 1 1 44 44 ARG C C 44 176.600 176.600 175.985 0.615 18255
5058 1 12 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.135 -0.335 18255
5059 1 12 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.495 0.005 18255
5060 1 12 . 1 1 44 44 ARG H H 44 7.560 7.560 7.656 -0.096 18255
5061 1 12 . 1 1 45 45 SER N N 45 121.000 121.000 118.949 2.051 18255
5062 1 12 . 1 1 45 45 SER HA H 45 4.310 4.310 4.629 -0.319 18255
5063 1 12 . 1 1 45 45 SER C C 45 174.300 174.300 174.366 -0.066 18255
5064 1 12 . 1 1 45 45 SER CA C 45 59.400 59.400 58.059 1.341 18255
5065 1 12 . 1 1 45 45 SER CB C 45 63.200 63.200 63.481 -0.281 18255
5066 1 12 . 1 1 45 45 SER H H 45 8.830 8.830 8.677 0.153 18255
5067 1 12 . 1 1 46 46 LEU N N 46 127.900 127.900 126.798 1.102 18255
5068 1 12 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.113 -0.263 18255
5069 1 12 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.931 0.069 18255
5070 1 12 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.597 0.603 18255
5071 1 12 . 1 1 46 46 LEU H H 46 8.610 8.610 8.475 0.135 18255
5072 1 12 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.382 -0.202 18255
5073 1 12 . 1 1 47 47 PRO C C 47 175.700 175.700 175.931 -0.231 18255
5074 1 12 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.051 -0.251 18255
5075 1 12 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.143 -1.043 18255
5076 1 12 . 1 1 48 48 ALA N N 48 123.600 123.600 124.241 -0.641 18255
5077 1 12 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.149 -0.049 18255
5078 1 12 . 1 1 48 48 ALA C C 48 178.800 178.800 178.418 0.382 18255
5079 1 12 . 1 1 48 48 ALA CA C 48 53.500 53.500 54.067 -0.567 18255
5080 1 12 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.009 -0.809 18255
5081 1 12 . 1 1 48 48 ALA H H 48 8.260 8.260 8.223 0.037 18255
5082 1 12 . 1 1 49 49 GLY N N 49 110.200 110.200 111.080 -0.880 18255
5083 1 12 . 1 1 49 49 GLY C C 49 173.800 173.800 174.441 -0.641 18255
5084 1 12 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.536 0.564 18255
5085 1 12 . 1 1 49 49 GLY H H 49 8.720 8.720 8.336 0.384 18255
5086 1 12 . 1 1 50 50 TRP N N 50 119.900 119.900 122.114 -2.214 18255
5087 1 12 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.675 -0.005 18255
5088 1 12 . 1 1 50 50 TRP C C 50 174.900 174.900 175.963 -1.063 18255
5089 1 12 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.529 -1.329 18255
5090 1 12 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.340 0.060 18255
5091 1 12 . 1 1 50 50 TRP H H 50 7.640 7.640 8.044 -0.404 18255
5092 1 12 . 1 1 51 51 GLU N N 51 118.200 118.200 118.706 -0.506 18255
5093 1 12 . 1 1 51 51 GLU C C 51 175.400 175.400 175.164 0.236 18255
5094 1 12 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.788 -0.488 18255
5095 1 12 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.595 1.005 18255
5096 1 12 . 1 1 51 51 GLU H H 51 8.650 8.650 8.942 -0.292 18255
5097 1 12 . 1 1 52 52 THR N N 52 112.200 112.200 113.371 -1.171 18255
5098 1 12 . 1 1 52 52 THR C C 52 174.800 174.800 174.304 0.496 18255
5099 1 12 . 1 1 52 52 THR CA C 52 62.000 62.000 60.052 1.948 18255
5100 1 12 . 1 1 52 52 THR CB C 52 70.000 70.000 70.315 -0.315 18255
5101 1 12 . 1 1 52 52 THR H H 52 8.450 8.450 8.464 -0.014 18255
5102 1 12 . 1 1 53 53 VAL N N 53 122.300 122.300 114.457 7.843 18255
5103 1 12 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.550 -0.280 18255
5104 1 12 . 1 1 53 53 VAL C C 53 176.200 176.200 174.369 1.831 18255
5105 1 12 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.799 0.501 18255
5106 1 12 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.914 -1.914 18255
5107 1 12 . 1 1 53 53 VAL H H 53 8.800 8.800 8.448 0.352 18255
5108 1 12 . 1 1 54 54 GLY N N 54 115.400 115.400 109.564 5.836 18255
5109 1 12 . 1 1 54 54 GLY C C 54 173.100 173.100 173.328 -0.228 18255
5110 1 12 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.044 -0.144 18255
5111 1 12 . 1 1 54 54 GLY H H 54 8.830 8.830 8.309 0.521 18255
5112 1 12 . 1 1 55 55 GLU N N 55 119.000 119.000 121.806 -2.806 18255
5113 1 12 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.698 0.022 18255
5114 1 12 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.431 -0.831 18255
5115 1 12 . 1 1 55 55 GLU H H 55 8.390 8.390 8.619 -0.229 18255
5116 1 12 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.312 0.108 18255
5117 1 12 . 1 1 56 56 PRO C C 56 176.200 176.200 175.761 0.439 18255
5118 1 12 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.380 0.520 18255
5119 1 12 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.133 0.367 18255
5120 1 12 . 1 1 57 57 ALA N N 57 124.300 124.300 126.693 -2.393 18255
5121 1 12 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.546 0.084 18255
5122 1 12 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.659 0.641 18255
5123 1 12 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.290 0.910 18255
5124 1 12 . 1 1 57 57 ALA H H 57 9.580 9.580 8.654 0.926 18255
5125 1 12 . 1 1 58 58 THR N N 58 108.700 108.700 113.867 -5.167 18255
5126 1 12 . 1 1 58 58 THR C C 58 175.700 175.700 176.446 -0.746 18255
5127 1 12 . 1 1 58 58 THR CA C 58 62.200 62.200 62.770 -0.570 18255
5128 1 12 . 1 1 58 58 THR CB C 58 70.600 70.600 69.711 0.889 18255
5129 1 12 . 1 1 58 58 THR H H 58 8.070 8.070 8.338 -0.268 18255
5130 1 12 . 1 1 59 59 LYS N N 59 123.400 123.400 126.878 -3.478 18255
5131 1 12 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.384 -0.214 18255
5132 1 12 . 1 1 59 59 LYS C C 59 178.100 178.100 178.114 -0.014 18255
5133 1 12 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.623 1.677 18255
5134 1 12 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.620 0.080 18255
5135 1 12 . 1 1 59 59 LYS H H 59 9.420 9.420 8.809 0.611 18255
5136 1 12 . 1 1 60 60 GLN N N 60 114.800 114.800 117.555 -2.755 18255
5137 1 12 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.924 -0.054 18255
5138 1 12 . 1 1 60 60 GLN C C 60 178.600 178.600 178.462 0.138 18255
5139 1 12 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.008 0.192 18255
5140 1 12 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.336 -0.236 18255
5141 1 12 . 1 1 60 60 GLN H H 60 8.610 8.610 8.046 0.564 18255
5142 1 12 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.115 -0.085 18255
5143 1 12 . 1 1 61 61 GLN C C 61 179.700 179.700 178.357 1.343 18255
5144 1 12 . 1 1 61 61 GLN CA C 61 58.900 58.900 57.908 0.992 18255
5145 1 12 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.254 0.446 18255
5146 1 12 . 1 1 61 61 GLN H H 61 7.690 7.690 8.018 -0.328 18255
5147 1 12 . 1 1 62 62 CYS N N 62 118.800 118.800 120.216 -1.416 18255
5148 1 12 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.112 -0.222 18255
5149 1 12 . 1 1 62 62 CYS C C 62 176.400 176.400 176.707 -0.307 18255
5150 1 12 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.058 0.742 18255
5151 1 12 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.712 -0.511 18255
5152 1 12 . 1 1 62 62 CYS H H 62 8.460 8.460 8.185 0.275 18255
5153 1 12 . 1 1 63 63 LEU N N 63 119.200 119.200 118.825 0.375 18255
5154 1 12 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.072 -0.182 18255
5155 1 12 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.998 0.102 18255
5156 1 12 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.471 0.429 18255
5157 1 12 . 1 1 63 63 LEU H H 63 8.350 8.350 8.149 0.201 18255
5158 1 12 . 1 1 64 64 GLN N N 64 119.000 119.000 119.818 -0.818 18255
5159 1 12 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.874 0.156 18255
5160 1 12 . 1 1 64 64 GLN C C 64 178.400 178.400 178.081 0.319 18255
5161 1 12 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.214 -0.614 18255
5162 1 12 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.463 -0.163 18255
5163 1 12 . 1 1 64 64 GLN H H 64 7.910 7.910 7.703 0.207 18255
5164 1 12 . 1 1 65 65 ARG N N 65 120.000 120.000 119.655 0.345 18255
5165 1 12 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.124 -0.124 18255
5166 1 12 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.205 0.095 18255
5167 1 12 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.148 -0.248 18255
5168 1 12 . 1 1 65 65 ARG H H 65 7.940 7.940 7.967 -0.027 18255
5169 1 12 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.810 -0.440 18255
5170 1 12 . 1 1 66 66 ILE C C 66 176.700 176.700 177.689 -0.989 18255
5171 1 12 . 1 1 66 66 ILE CA C 66 65.500 65.500 63.891 1.609 18255
5172 1 12 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.830 0.070 18255
5173 1 12 . 1 1 67 67 GLU N N 67 118.400 118.400 121.374 -2.974 18255
5174 1 12 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.057 -0.107 18255
5175 1 12 . 1 1 67 67 GLU C C 67 178.600 178.600 178.979 -0.379 18255
5176 1 12 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.712 0.588 18255
5177 1 12 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.152 0.148 18255
5178 1 12 . 1 1 67 67 GLU H H 67 7.600 7.600 8.038 -0.438 18255
5179 1 12 . 1 1 68 68 GLN N N 68 116.400 116.400 115.536 0.864 18255
5180 1 12 . 1 1 68 68 GLN HA H 68 4.120 4.120 3.871 0.249 18255
5181 1 12 . 1 1 68 68 GLN C C 68 177.400 177.400 177.596 -0.196 18255
5182 1 12 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.620 0.980 18255
5183 1 12 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.147 0.453 18255
5184 1 12 . 1 1 68 68 GLN H H 68 7.620 7.620 8.012 -0.392 18255
5185 1 12 . 1 1 69 69 LEU N N 69 120.000 120.000 118.655 1.345 18255
5186 1 12 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.348 -0.258 18255
5187 1 12 . 1 1 69 69 LEU C C 69 176.600 176.600 177.705 -1.105 18255
5188 1 12 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.708 0.092 18255
5189 1 12 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.596 -0.696 18255
5190 1 12 . 1 1 69 69 LEU H H 69 7.900 7.900 7.207 0.693 18255
5191 1 12 . 1 1 70 70 TRP N N 70 119.200 119.200 121.015 -1.815 18255
5192 1 12 . 1 1 70 70 TRP C C 70 177.100 177.100 178.808 -1.708 18255
5193 1 12 . 1 1 70 70 TRP CA C 70 58.000 58.000 61.826 -3.826 18255
5194 1 12 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.276 -0.976 18255
5195 1 12 . 1 1 70 70 TRP H H 70 8.120 8.120 8.165 -0.045 18255
5196 1 12 . 1 1 71 71 THR N N 71 114.500 114.500 114.114 0.386 18255
5197 1 12 . 1 1 71 71 THR HA H 71 4.160 4.160 4.190 -0.030 18255
5198 1 12 . 1 1 71 71 THR C C 71 174.700 174.700 175.252 -0.552 18255
5199 1 12 . 1 1 71 71 THR CA C 71 63.700 63.700 65.368 -1.668 18255
5200 1 12 . 1 1 71 71 THR CB C 71 69.500 69.500 68.443 1.057 18255
5201 1 12 . 1 1 71 71 THR H H 71 7.960 7.960 7.639 0.321 18255
5202 1 12 . 1 1 72 72 ASP N N 72 120.700 120.700 120.379 0.321 18255
5203 1 12 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.177 0.383 18255
5204 1 12 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.840 -0.840 18255
5205 1 12 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.178 0.621 18255
5206 1 12 . 1 1 72 72 ASP H H 72 8.140 8.140 7.910 0.230 18255
5207 1 12 . 1 1 74 74 VAL N N 74 121.700 121.700 127.988 -6.288 18255
5208 1 12 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.475 -0.135 18255
5209 1 12 . 1 1 74 74 VAL CA C 74 60.100 60.100 60.330 -0.230 18255
5210 1 12 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.420 -0.920 18255
5211 1 12 . 1 1 74 74 VAL H H 74 7.950 7.950 8.296 -0.346 18255
5212 1 12 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.576 -0.196 18255
5213 1 12 . 1 1 75 75 PRO CA C 75 63.300 63.300 63.015 0.285 18255
5214 1 12 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.008 0.192 18255
5215 1 12 . 1 1 76 76 ALA N N 76 124.200 124.200 121.002 3.198 18255
5216 1 12 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.032 0.108 18255
5217 1 12 . 1 1 76 76 ALA C C 76 178.400 178.400 179.566 -1.166 18255
5218 1 12 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.877 -1.077 18255
5219 1 12 . 1 1 76 76 ALA CB C 76 18.700 18.700 17.796 0.904 18255
5220 1 12 . 1 1 76 76 ALA H H 76 8.600 8.600 8.433 0.167 18255
5221 1 12 . 1 1 77 77 SER N N 77 112.900 112.900 114.198 -1.298 18255
5222 1 12 . 1 1 77 77 SER HA H 77 4.340 4.340 4.161 0.179 18255
5223 1 12 . 1 1 77 77 SER C C 77 175.200 175.200 176.329 -1.129 18255
5224 1 12 . 1 1 77 77 SER CA C 77 59.200 59.200 60.835 -1.635 18255
5225 1 12 . 1 1 77 77 SER CB C 77 63.200 63.200 62.432 0.768 18255
5226 1 12 . 1 1 77 77 SER H H 77 8.310 8.310 8.171 0.139 18255
5227 1 12 . 1 1 78 78 VAL N N 78 121.700 121.700 122.889 -1.189 18255
5228 1 12 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.841 0.179 18255
5229 1 12 . 1 1 78 78 VAL C C 78 176.600 176.600 176.761 -0.161 18255
5230 1 12 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.342 -1.942 18255
5231 1 12 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.602 0.698 18255
5232 1 12 . 1 1 78 78 VAL H H 78 7.810 7.810 8.103 -0.293 18255
5233 1 12 . 1 1 79 79 ARG N N 79 121.900 121.900 118.097 3.803 18255
5234 1 12 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.092 0.068 18255
5235 1 12 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.328 -1.028 18255
5236 1 12 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.569 0.931 18255
5237 1 12 . 1 1 79 79 ARG H H 79 8.100 8.100 7.816 0.284 18255
5238 1 12 . 1 1 80 80 GLU N N 80 119.600 119.600 120.120 -0.520 18255
5239 1 12 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.609 0.391 18255
5240 1 12 . 1 1 80 80 GLU H H 80 8.260 8.260 8.007 0.253 18255
5241 1 12 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.538 0.012 18255
5242 1 12 . 1 1 81 81 HIS C C 81 175.600 175.600 177.649 -2.049 18255
5243 1 12 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.930 -1.730 18255
5244 1 12 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.079 0.321 18255
5245 1 12 . 1 1 82 82 LEU N N 82 121.500 121.500 117.635 3.865 18255
5246 1 12 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.154 0.106 18255
5247 1 12 . 1 1 82 82 LEU C C 82 177.200 177.200 176.917 0.283 18255
5248 1 12 . 1 1 82 82 LEU CA C 82 55.600 55.600 56.263 -0.663 18255
5249 1 12 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.242 -0.143 18255
5250 1 12 . 1 1 82 82 LEU H H 82 8.120 8.120 8.293 -0.173 18255
5251 1 12 . 1 1 83 83 ASN N N 83 118.300 118.300 117.683 0.617 18255
5252 1 12 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.519 0.121 18255
5253 1 12 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.992 0.508 18255
5254 1 12 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.052 0.548 18255
5255 1 12 . 1 1 83 83 ASN H H 83 8.400 8.400 7.694 0.706 18255
5256 1 12 . 1 1 85 85 HIS C C 85 174.900 174.900 174.516 0.384 18255
5257 1 12 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.088 1.212 18255
5258 1 12 . 1 1 85 85 HIS CB C 85 30.600 30.600 29.290 1.310 18255
5259 1 12 . 1 1 86 86 SER N N 86 116.700 116.700 115.099 1.601 18255
5260 1 12 . 1 1 86 86 SER C C 86 174.100 174.100 174.027 0.073 18255
5261 1 12 . 1 1 86 86 SER CA C 86 58.400 58.400 59.382 -0.982 18255
5262 1 12 . 1 1 86 86 SER CB C 86 64.300 64.300 63.151 1.149 18255
5263 1 12 . 1 1 86 86 SER H H 86 8.220 8.220 8.669 -0.449 18255
5264 1 12 . 1 1 87 87 GLY N N 87 110.400 110.400 108.256 2.144 18255
5265 1 12 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.918 -0.418 18255
5266 1 12 . 1 1 87 87 GLY H H 87 8.310 8.310 7.929 0.381 18255
5267 1 12 . 1 1 88 88 PRO HA H 88 4.370 4.370 5.116 -0.746 18255
5268 1 12 . 1 1 88 88 PRO C C 88 177.400 177.400 176.693 0.707 18255
5269 1 12 . 1 1 88 88 PRO CA C 88 63.200 63.200 61.450 1.750 18255
5270 1 12 . 1 1 88 88 PRO CB C 88 32.000 32.000 33.623 -1.623 18255
5271 1 12 . 1 1 89 89 GLY N N 89 109.300 109.300 107.316 1.984 18255
5272 1 12 . 1 1 89 89 GLY C C 89 173.800 173.800 173.534 0.266 18255
5273 1 12 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.030 1.170 18255
5274 1 12 . 1 1 89 89 GLY H H 89 8.500 8.500 8.076 0.424 18255
5275 1 12 . 1 1 90 90 ILE N N 90 119.600 119.600 116.301 3.299 18255
5276 1 12 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.009 0.071 18255
5277 1 12 . 1 1 90 90 ILE C C 90 175.400 175.400 174.480 0.920 18255
5278 1 12 . 1 1 90 90 ILE CA C 90 61.000 61.000 59.462 1.538 18255
5279 1 12 . 1 1 90 90 ILE CB C 90 38.900 38.900 38.444 0.456 18255
5280 1 12 . 1 1 90 90 ILE H H 90 7.910 7.910 8.168 -0.258 18255
5281 1 12 . 1 1 91 91 ASP N N 91 123.400 123.400 127.743 -4.343 18255
5282 1 12 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.393 0.177 18255
5283 1 12 . 1 1 91 91 ASP C C 91 175.700 175.700 175.436 0.264 18255
5284 1 12 . 1 1 91 91 ASP CA C 91 53.900 53.900 55.131 -1.231 18255
5285 1 12 . 1 1 91 91 ASP CB C 91 41.100 41.100 41.232 -0.132 18255
5286 1 12 . 1 1 91 91 ASP H H 91 8.350 8.350 8.306 0.044 18255
5287 1 12 . 1 1 92 92 TYR N N 92 120.800 120.800 122.870 -2.070 18255
5288 1 12 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.640 -0.180 18255
5289 1 12 . 1 1 92 92 TYR C C 92 175.200 175.200 175.509 -0.309 18255
5290 1 12 . 1 1 92 92 TYR CA C 92 58.000 58.000 56.903 1.097 18255
5291 1 12 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.741 -0.141 18255
5292 1 12 . 1 1 92 92 TYR H H 92 8.050 8.050 8.516 -0.466 18255
5293 1 12 . 1 1 93 93 ALA N N 93 124.700 124.700 122.762 1.938 18255
5294 1 12 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.257 0.043 18255
5295 1 12 . 1 1 93 93 ALA C C 93 177.100 177.100 176.890 0.210 18255
5296 1 12 . 1 1 93 93 ALA CA C 93 52.400 52.400 53.124 -0.724 18255
5297 1 12 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.131 0.169 18255
5298 1 12 . 1 1 93 93 ALA H H 93 8.170 8.170 7.840 0.330 18255
5299 1 12 . 1 1 94 94 VAL N N 94 119.400 119.400 118.306 1.094 18255
5300 1 12 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.280 -0.230 18255
5301 1 12 . 1 1 94 94 VAL C C 94 175.100 175.100 175.255 -0.155 18255
5302 1 12 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.331 1.069 18255
5303 1 12 . 1 1 94 94 VAL CB C 94 32.300 32.300 33.007 -0.707 18255
5304 1 12 . 1 1 94 94 VAL H H 94 8.000 8.000 8.001 -0.001 18255
5305 1 13 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.011 -0.051 18255
5306 1 13 . 1 1 2 2 ALA CA C 2 51.700 51.700 53.742 -2.042 18255
5307 1 13 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.830 0.870 18255
5308 1 13 . 1 1 8 8 HIS C C 8 175.200 175.200 173.307 1.893 18255
5309 1 13 . 1 1 8 8 HIS CA C 8 56.600 56.600 56.336 0.264 18255
5310 1 13 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.292 0.508 18255
5311 1 13 . 1 1 9 9 MET N N 9 121.800 121.800 120.502 1.298 18255
5312 1 13 . 1 1 9 9 MET C C 9 176.400 176.400 177.856 -1.456 18255
5313 1 13 . 1 1 9 9 MET CA C 9 55.800 55.800 54.620 1.180 18255
5314 1 13 . 1 1 9 9 MET CB C 9 32.800 32.800 32.923 -0.123 18255
5315 1 13 . 1 1 9 9 MET H H 9 8.470 8.470 7.878 0.592 18255
5316 1 13 . 1 1 10 10 GLY N N 10 109.800 109.800 112.352 -2.552 18255
5317 1 13 . 1 1 10 10 GLY C C 10 174.100 174.100 174.322 -0.222 18255
5318 1 13 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.500 -0.200 18255
5319 1 13 . 1 1 10 10 GLY H H 10 8.490 8.490 8.543 -0.053 18255
5320 1 13 . 1 1 11 11 THR N N 11 113.600 113.600 116.919 -3.319 18255
5321 1 13 . 1 1 11 11 THR HA H 11 3.710 3.710 3.955 -0.245 18255
5322 1 13 . 1 1 11 11 THR C C 11 174.600 174.600 174.592 0.008 18255
5323 1 13 . 1 1 11 11 THR CA C 11 62.400 62.400 62.371 0.029 18255
5324 1 13 . 1 1 11 11 THR CB C 11 70.100 70.100 68.068 2.032 18255
5325 1 13 . 1 1 11 11 THR H H 11 8.100 8.100 8.274 -0.174 18255
5326 1 13 . 1 1 12 12 LEU N N 12 123.900 123.900 124.077 -0.177 18255
5327 1 13 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.221 0.079 18255
5328 1 13 . 1 1 12 12 LEU C C 12 177.400 177.400 177.518 -0.118 18255
5329 1 13 . 1 1 12 12 LEU CA C 12 55.600 55.600 57.354 -1.754 18255
5330 1 13 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.972 0.128 18255
5331 1 13 . 1 1 12 12 LEU H H 12 8.350 8.350 8.399 -0.049 18255
5332 1 13 . 1 1 13 13 GLU N N 13 121.300 121.300 116.707 4.593 18255
5333 1 13 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.743 -0.553 18255
5334 1 13 . 1 1 13 13 GLU C C 13 176.200 176.200 174.927 1.273 18255
5335 1 13 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.203 1.697 18255
5336 1 13 . 1 1 13 13 GLU CB C 13 30.000 30.000 31.367 -1.367 18255
5337 1 13 . 1 1 13 13 GLU H H 13 8.420 8.420 7.971 0.449 18255
5338 1 13 . 1 1 14 14 ALA N N 14 124.100 124.100 124.346 -0.246 18255
5339 1 13 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.639 -0.379 18255
5340 1 13 . 1 1 14 14 ALA C C 14 177.700 177.700 175.935 1.765 18255
5341 1 13 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.215 0.485 18255
5342 1 13 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.091 -0.991 18255
5343 1 13 . 1 1 14 14 ALA H H 14 8.260 8.260 8.581 -0.321 18255
5344 1 13 . 1 1 15 15 GLN N N 15 119.100 119.100 123.031 -3.931 18255
5345 1 13 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.401 -0.041 18255
5346 1 13 . 1 1 15 15 GLN C C 15 176.200 176.200 177.280 -1.080 18255
5347 1 13 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.346 0.554 18255
5348 1 13 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.486 -0.186 18255
5349 1 13 . 1 1 15 15 GLN H H 15 8.340 8.340 8.223 0.117 18255
5350 1 13 . 1 1 16 16 THR N N 16 114.600 114.600 111.675 2.925 18255
5351 1 13 . 1 1 16 16 THR HA H 16 4.320 4.320 3.901 0.419 18255
5352 1 13 . 1 1 16 16 THR C C 16 174.300 174.300 175.117 -0.817 18255
5353 1 13 . 1 1 16 16 THR CA C 16 61.900 61.900 65.108 -3.208 18255
5354 1 13 . 1 1 16 16 THR CB C 16 69.700 69.700 67.287 2.413 18255
5355 1 13 . 1 1 16 16 THR H H 16 8.160 8.160 8.727 -0.567 18255
5356 1 13 . 1 1 17 17 GLN N N 17 122.200 122.200 120.623 1.577 18255
5357 1 13 . 1 1 17 17 GLN C C 17 175.800 175.800 176.520 -0.720 18255
5358 1 13 . 1 1 17 17 GLN CA C 17 55.900 55.900 57.510 -1.610 18255
5359 1 13 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.788 0.812 18255
5360 1 13 . 1 1 17 17 GLN H H 17 8.410 8.410 7.863 0.547 18255
5361 1 13 . 1 1 18 18 GLY N N 18 110.100 110.100 107.589 2.511 18255
5362 1 13 . 1 1 18 18 GLY CA C 18 44.600 44.600 42.282 2.318 18255
5363 1 13 . 1 1 18 18 GLY H H 18 8.340 8.340 8.030 0.310 18255
5364 1 13 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.465 -0.035 18255
5365 1 13 . 1 1 19 19 PRO C C 19 177.500 177.500 176.801 0.699 18255
5366 1 13 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.709 0.791 18255
5367 1 13 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.729 0.371 18255
5368 1 13 . 1 1 20 20 GLY N N 20 109.600 109.600 108.891 0.709 18255
5369 1 13 . 1 1 20 20 GLY C C 20 174.000 174.000 173.173 0.827 18255
5370 1 13 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.414 0.786 18255
5371 1 13 . 1 1 20 20 GLY H H 20 8.620 8.620 7.860 0.760 18255
5372 1 13 . 1 1 21 21 SER N N 21 115.300 115.300 116.248 -0.948 18255
5373 1 13 . 1 1 21 21 SER HA H 21 4.460 4.460 4.505 -0.045 18255
5374 1 13 . 1 1 21 21 SER C C 21 174.700 174.700 174.041 0.659 18255
5375 1 13 . 1 1 21 21 SER CA C 21 58.400 58.400 58.449 -0.049 18255
5376 1 13 . 1 1 21 21 SER CB C 21 64.000 64.000 63.596 0.404 18255
5377 1 13 . 1 1 21 21 SER H H 21 8.240 8.240 8.456 -0.216 18255
5378 1 13 . 1 1 22 22 MET N N 22 122.000 122.000 120.205 1.795 18255
5379 1 13 . 1 1 22 22 MET HA H 22 4.530 4.530 4.744 -0.214 18255
5380 1 13 . 1 1 22 22 MET C C 22 176.000 176.000 175.029 0.971 18255
5381 1 13 . 1 1 22 22 MET CA C 22 55.700 55.700 56.203 -0.503 18255
5382 1 13 . 1 1 22 22 MET CB C 22 32.600 32.600 30.981 1.619 18255
5383 1 13 . 1 1 22 22 MET H H 22 8.570 8.570 8.376 0.194 18255
5384 1 13 . 1 1 23 23 ASP N N 23 120.600 120.600 122.173 -1.573 18255
5385 1 13 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.764 -0.134 18255
5386 1 13 . 1 1 23 23 ASP C C 23 175.700 175.700 175.572 0.128 18255
5387 1 13 . 1 1 23 23 ASP CA C 23 54.800 54.800 55.151 -0.351 18255
5388 1 13 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.840 -0.840 18255
5389 1 13 . 1 1 23 23 ASP H H 23 8.330 8.330 8.454 -0.124 18255
5390 1 13 . 1 1 24 24 ASP N N 24 119.800 119.800 118.959 0.841 18255
5391 1 13 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.722 -0.062 18255
5392 1 13 . 1 1 24 24 ASP C C 24 175.800 175.800 175.229 0.571 18255
5393 1 13 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.313 0.787 18255
5394 1 13 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.473 -1.173 18255
5395 1 13 . 1 1 24 24 ASP H H 24 8.250 8.250 7.808 0.442 18255
5396 1 13 . 1 1 25 25 GLU N N 25 120.600 120.600 119.430 1.170 18255
5397 1 13 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.467 -0.247 18255
5398 1 13 . 1 1 25 25 GLU C C 25 175.200 175.200 176.655 -1.455 18255
5399 1 13 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.424 -0.024 18255
5400 1 13 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.361 0.139 18255
5401 1 13 . 1 1 25 25 GLU H H 25 8.190 8.190 8.693 -0.503 18255
5402 1 13 . 1 1 26 26 LEU N N 26 121.500 121.500 120.106 1.394 18255
5403 1 13 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.353 0.187 18255
5404 1 13 . 1 1 26 26 LEU C C 26 175.200 175.200 176.344 -1.144 18255
5405 1 13 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.129 -1.129 18255
5406 1 13 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.315 1.385 18255
5407 1 13 . 1 1 26 26 LEU H H 26 8.270 8.270 8.455 -0.185 18255
5408 1 13 . 1 1 27 27 TYR N N 27 119.400 119.400 118.679 0.721 18255
5409 1 13 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.208 -0.238 18255
5410 1 13 . 1 1 27 27 TYR C C 27 173.100 173.100 175.127 -2.027 18255
5411 1 13 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.617 0.083 18255
5412 1 13 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.679 1.221 18255
5413 1 13 . 1 1 27 27 TYR H H 27 9.250 9.250 8.881 0.369 18255
5414 1 13 . 1 1 28 28 PHE N N 28 114.700 114.700 117.739 -3.039 18255
5415 1 13 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.918 0.152 18255
5416 1 13 . 1 1 28 28 PHE C C 28 178.100 178.100 174.710 3.390 18255
5417 1 13 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.255 0.845 18255
5418 1 13 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.262 -1.762 18255
5419 1 13 . 1 1 28 28 PHE H H 28 9.510 9.510 9.304 0.206 18255
5420 1 13 . 1 1 29 29 VAL N N 29 121.100 121.100 121.045 0.055 18255
5421 1 13 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.846 -0.366 18255
5422 1 13 . 1 1 29 29 VAL C C 29 175.200 175.200 175.000 0.200 18255
5423 1 13 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.099 1.901 18255
5424 1 13 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.510 -0.609 18255
5425 1 13 . 1 1 29 29 VAL H H 29 9.110 9.110 8.816 0.294 18255
5426 1 13 . 1 1 30 30 VAL N N 30 119.800 119.800 121.127 -1.327 18255
5427 1 13 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.504 0.046 18255
5428 1 13 . 1 1 30 30 VAL C C 30 173.800 173.800 173.993 -0.193 18255
5429 1 13 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.457 -1.457 18255
5430 1 13 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.604 -0.504 18255
5431 1 13 . 1 1 30 30 VAL H H 30 8.890 8.890 9.146 -0.256 18255
5432 1 13 . 1 1 31 31 ARG N N 31 119.700 119.700 116.919 2.781 18255
5433 1 13 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.706 0.484 18255
5434 1 13 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.193 -1.693 18255
5435 1 13 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.228 0.872 18255
5436 1 13 . 1 1 31 31 ARG H H 31 8.980 8.980 9.031 -0.051 18255
5437 1 13 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.611 -0.371 18255
5438 1 13 . 1 1 32 32 ASN C C 32 176.600 176.600 174.540 2.060 18255
5439 1 13 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.828 -3.128 18255
5440 1 13 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.360 -3.660 18255
5441 1 13 . 1 1 33 33 ASN N N 33 114.800 114.800 119.346 -4.546 18255
5442 1 13 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.308 -0.018 18255
5443 1 13 . 1 1 33 33 ASN C C 33 175.600 175.600 175.092 0.508 18255
5444 1 13 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.202 0.298 18255
5445 1 13 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.889 -0.089 18255
5446 1 13 . 1 1 33 33 ASN H H 33 7.760 7.760 8.885 -1.125 18255
5447 1 13 . 1 1 34 34 GLU N N 34 116.900 116.900 116.467 0.433 18255
5448 1 13 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.374 -0.064 18255
5449 1 13 . 1 1 34 34 GLU C C 34 176.200 176.200 177.303 -1.103 18255
5450 1 13 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.298 -0.398 18255
5451 1 13 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.019 -0.519 18255
5452 1 13 . 1 1 34 34 GLU H H 34 7.340 7.340 8.064 -0.724 18255
5453 1 13 . 1 1 35 35 GLY N N 35 107.000 107.000 109.076 -2.076 18255
5454 1 13 . 1 1 35 35 GLY C C 35 173.400 173.400 174.149 -0.749 18255
5455 1 13 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.451 -0.051 18255
5456 1 13 . 1 1 35 35 GLY H H 35 7.720 7.720 8.229 -0.509 18255
5457 1 13 . 1 1 36 36 GLN N N 36 117.700 117.700 119.813 -2.113 18255
5458 1 13 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.094 0.186 18255
5459 1 13 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.132 -0.632 18255
5460 1 13 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.220 -0.720 18255
5461 1 13 . 1 1 36 36 GLN H H 36 7.570 7.570 7.733 -0.163 18255
5462 1 13 . 1 1 37 37 TYR C C 37 176.300 176.300 175.729 0.571 18255
5463 1 13 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.583 -0.083 18255
5464 1 13 . 1 1 37 37 TYR CB C 37 42.800 42.800 41.124 1.676 18255
5465 1 13 . 1 1 38 38 SER N N 38 114.700 114.700 117.141 -2.441 18255
5466 1 13 . 1 1 38 38 SER HA H 38 5.770 5.770 5.032 0.738 18255
5467 1 13 . 1 1 38 38 SER C C 38 173.100 173.100 172.842 0.258 18255
5468 1 13 . 1 1 38 38 SER CA C 38 57.300 57.300 57.790 -0.490 18255
5469 1 13 . 1 1 38 38 SER CB C 38 64.400 64.400 66.039 -1.639 18255
5470 1 13 . 1 1 38 38 SER H H 38 9.230 9.230 9.138 0.092 18255
5471 1 13 . 1 1 39 39 VAL N N 39 114.000 114.000 116.566 -2.566 18255
5472 1 13 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.316 0.384 18255
5473 1 13 . 1 1 39 39 VAL C C 39 175.200 175.200 174.596 0.604 18255
5474 1 13 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.554 -0.654 18255
5475 1 13 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.798 -0.998 18255
5476 1 13 . 1 1 39 39 VAL H H 39 8.430 8.430 8.618 -0.188 18255
5477 1 13 . 1 1 40 40 TRP N N 40 126.600 126.600 125.549 1.051 18255
5478 1 13 . 1 1 40 40 TRP C C 40 174.000 174.000 173.826 0.174 18255
5479 1 13 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.237 0.263 18255
5480 1 13 . 1 1 40 40 TRP CB C 40 35.700 35.700 34.028 1.672 18255
5481 1 13 . 1 1 40 40 TRP H H 40 9.590 9.590 9.398 0.192 18255
5482 1 13 . 1 1 41 41 MET N N 41 127.700 127.700 124.414 3.286 18255
5483 1 13 . 1 1 41 41 MET HA H 41 3.470 3.470 3.697 -0.227 18255
5484 1 13 . 1 1 41 41 MET C C 41 175.000 175.000 174.522 0.478 18255
5485 1 13 . 1 1 41 41 MET CA C 41 56.900 56.900 54.577 2.323 18255
5486 1 13 . 1 1 41 41 MET CB C 41 33.800 33.800 33.850 -0.050 18255
5487 1 13 . 1 1 41 41 MET H H 41 7.860 7.860 7.727 0.133 18255
5488 1 13 . 1 1 42 42 ASP N N 42 123.400 123.400 127.132 -3.732 18255
5489 1 13 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.468 0.052 18255
5490 1 13 . 1 1 42 42 ASP C C 42 176.800 176.800 177.151 -0.351 18255
5491 1 13 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.148 -0.648 18255
5492 1 13 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.753 -0.253 18255
5493 1 13 . 1 1 42 42 ASP H H 42 8.290 8.290 8.125 0.165 18255
5494 1 13 . 1 1 43 43 GLY N N 43 113.300 113.300 112.570 0.730 18255
5495 1 13 . 1 1 43 43 GLY C C 43 174.000 174.000 174.541 -0.541 18255
5496 1 13 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.193 0.107 18255
5497 1 13 . 1 1 43 43 GLY H H 43 8.350 8.350 8.445 -0.095 18255
5498 1 13 . 1 1 44 44 ARG N N 44 119.600 119.600 123.588 -3.988 18255
5499 1 13 . 1 1 44 44 ARG C C 44 176.600 176.600 176.108 0.492 18255
5500 1 13 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.356 -0.556 18255
5501 1 13 . 1 1 44 44 ARG CB C 44 31.500 31.500 30.532 0.968 18255
5502 1 13 . 1 1 44 44 ARG H H 44 7.560 7.560 7.650 -0.090 18255
5503 1 13 . 1 1 45 45 SER N N 45 121.000 121.000 121.305 -0.305 18255
5504 1 13 . 1 1 45 45 SER HA H 45 4.310 4.310 4.467 -0.157 18255
5505 1 13 . 1 1 45 45 SER C C 45 174.300 174.300 174.424 -0.124 18255
5506 1 13 . 1 1 45 45 SER CA C 45 59.400 59.400 58.731 0.669 18255
5507 1 13 . 1 1 45 45 SER CB C 45 63.200 63.200 63.588 -0.388 18255
5508 1 13 . 1 1 45 45 SER H H 45 8.830 8.830 8.747 0.083 18255
5509 1 13 . 1 1 46 46 LEU N N 46 127.900 127.900 127.306 0.594 18255
5510 1 13 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.262 -0.412 18255
5511 1 13 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.543 0.457 18255
5512 1 13 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.664 0.536 18255
5513 1 13 . 1 1 46 46 LEU H H 46 8.610 8.610 8.269 0.341 18255
5514 1 13 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.458 -0.278 18255
5515 1 13 . 1 1 47 47 PRO C C 47 175.700 175.700 176.028 -0.328 18255
5516 1 13 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.166 -0.366 18255
5517 1 13 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.311 -1.211 18255
5518 1 13 . 1 1 48 48 ALA N N 48 123.600 123.600 124.156 -0.556 18255
5519 1 13 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.170 -0.070 18255
5520 1 13 . 1 1 48 48 ALA C C 48 178.800 178.800 178.347 0.453 18255
5521 1 13 . 1 1 48 48 ALA CA C 48 53.500 53.500 54.074 -0.574 18255
5522 1 13 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.887 -0.687 18255
5523 1 13 . 1 1 48 48 ALA H H 48 8.260 8.260 8.215 0.045 18255
5524 1 13 . 1 1 49 49 GLY N N 49 110.200 110.200 111.662 -1.462 18255
5525 1 13 . 1 1 49 49 GLY C C 49 173.800 173.800 174.454 -0.654 18255
5526 1 13 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.496 0.604 18255
5527 1 13 . 1 1 49 49 GLY H H 49 8.720 8.720 8.263 0.457 18255
5528 1 13 . 1 1 50 50 TRP N N 50 119.900 119.900 122.550 -2.650 18255
5529 1 13 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.807 -0.137 18255
5530 1 13 . 1 1 50 50 TRP C C 50 174.900 174.900 176.025 -1.125 18255
5531 1 13 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.720 -1.520 18255
5532 1 13 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.196 0.204 18255
5533 1 13 . 1 1 50 50 TRP H H 50 7.640 7.640 7.997 -0.357 18255
5534 1 13 . 1 1 51 51 GLU N N 51 118.200 118.200 120.963 -2.763 18255
5535 1 13 . 1 1 51 51 GLU C C 51 175.400 175.400 175.526 -0.126 18255
5536 1 13 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.642 -0.342 18255
5537 1 13 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.808 0.792 18255
5538 1 13 . 1 1 51 51 GLU H H 51 8.650 8.650 9.096 -0.446 18255
5539 1 13 . 1 1 52 52 THR N N 52 112.200 112.200 113.008 -0.808 18255
5540 1 13 . 1 1 52 52 THR C C 52 174.800 174.800 174.245 0.555 18255
5541 1 13 . 1 1 52 52 THR CA C 52 62.000 62.000 59.843 2.157 18255
5542 1 13 . 1 1 52 52 THR CB C 52 70.000 70.000 71.019 -1.019 18255
5543 1 13 . 1 1 52 52 THR H H 52 8.450 8.450 8.518 -0.068 18255
5544 1 13 . 1 1 53 53 VAL N N 53 122.300 122.300 114.916 7.384 18255
5545 1 13 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.416 -0.146 18255
5546 1 13 . 1 1 53 53 VAL C C 53 176.200 176.200 174.034 2.166 18255
5547 1 13 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.122 0.178 18255
5548 1 13 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.577 -1.577 18255
5549 1 13 . 1 1 53 53 VAL H H 53 8.800 8.800 8.517 0.283 18255
5550 1 13 . 1 1 54 54 GLY N N 54 115.400 115.400 111.313 4.087 18255
5551 1 13 . 1 1 54 54 GLY C C 54 173.100 173.100 173.154 -0.054 18255
5552 1 13 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.778 0.122 18255
5553 1 13 . 1 1 54 54 GLY H H 54 8.830 8.830 8.199 0.631 18255
5554 1 13 . 1 1 55 55 GLU N N 55 119.000 119.000 119.749 -0.749 18255
5555 1 13 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.847 -0.127 18255
5556 1 13 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.564 -0.964 18255
5557 1 13 . 1 1 55 55 GLU H H 55 8.390 8.390 8.652 -0.262 18255
5558 1 13 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.097 0.323 18255
5559 1 13 . 1 1 56 56 PRO C C 56 176.200 176.200 175.639 0.561 18255
5560 1 13 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.369 0.531 18255
5561 1 13 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.885 0.615 18255
5562 1 13 . 1 1 57 57 ALA N N 57 124.300 124.300 128.241 -3.941 18255
5563 1 13 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.636 -0.006 18255
5564 1 13 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.101 1.199 18255
5565 1 13 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.223 -0.022 18255
5566 1 13 . 1 1 57 57 ALA H H 57 9.580 9.580 8.434 1.146 18255
5567 1 13 . 1 1 58 58 THR N N 58 108.700 108.700 114.470 -5.770 18255
5568 1 13 . 1 1 58 58 THR C C 58 175.700 175.700 176.170 -0.470 18255
5569 1 13 . 1 1 58 58 THR CA C 58 62.200 62.200 61.490 0.710 18255
5570 1 13 . 1 1 58 58 THR CB C 58 70.600 70.600 69.629 0.971 18255
5571 1 13 . 1 1 58 58 THR H H 58 8.070 8.070 8.272 -0.202 18255
5572 1 13 . 1 1 59 59 LYS N N 59 123.400 123.400 122.865 0.535 18255
5573 1 13 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.476 -0.306 18255
5574 1 13 . 1 1 59 59 LYS C C 59 178.100 178.100 178.557 -0.457 18255
5575 1 13 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.718 1.582 18255
5576 1 13 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.903 -0.203 18255
5577 1 13 . 1 1 59 59 LYS H H 59 9.420 9.420 8.696 0.724 18255
5578 1 13 . 1 1 60 60 GLN N N 60 114.800 114.800 117.375 -2.575 18255
5579 1 13 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.964 -0.094 18255
5580 1 13 . 1 1 60 60 GLN C C 60 178.600 178.600 178.551 0.049 18255
5581 1 13 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.003 0.197 18255
5582 1 13 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.380 -0.279 18255
5583 1 13 . 1 1 60 60 GLN H H 60 8.610 8.610 8.213 0.397 18255
5584 1 13 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.082 -0.052 18255
5585 1 13 . 1 1 61 61 GLN C C 61 179.700 179.700 178.380 1.320 18255
5586 1 13 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.584 0.316 18255
5587 1 13 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.767 -0.067 18255
5588 1 13 . 1 1 61 61 GLN H H 61 7.690 7.690 7.748 -0.058 18255
5589 1 13 . 1 1 62 62 CYS N N 62 118.800 118.800 118.263 0.537 18255
5590 1 13 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.176 -0.286 18255
5591 1 13 . 1 1 62 62 CYS C C 62 176.400 176.400 177.234 -0.834 18255
5592 1 13 . 1 1 62 62 CYS CA C 62 64.800 64.800 62.459 2.341 18255
5593 1 13 . 1 1 62 62 CYS CB C 62 27.200 27.200 28.069 -0.869 18255
5594 1 13 . 1 1 62 62 CYS H H 62 8.460 8.460 8.249 0.211 18255
5595 1 13 . 1 1 63 63 LEU N N 63 119.200 119.200 119.585 -0.385 18255
5596 1 13 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.214 -0.324 18255
5597 1 13 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.814 0.286 18255
5598 1 13 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.481 0.419 18255
5599 1 13 . 1 1 63 63 LEU H H 63 8.350 8.350 8.209 0.141 18255
5600 1 13 . 1 1 64 64 GLN N N 64 119.000 119.000 119.664 -0.664 18255
5601 1 13 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.958 0.072 18255
5602 1 13 . 1 1 64 64 GLN C C 64 178.400 178.400 178.219 0.181 18255
5603 1 13 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.081 -0.481 18255
5604 1 13 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.516 -0.216 18255
5605 1 13 . 1 1 64 64 GLN H H 64 7.910 7.910 7.901 0.009 18255
5606 1 13 . 1 1 65 65 ARG N N 65 120.000 120.000 120.282 -0.282 18255
5607 1 13 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.138 -0.138 18255
5608 1 13 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.309 -0.009 18255
5609 1 13 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.255 -0.355 18255
5610 1 13 . 1 1 65 65 ARG H H 65 7.940 7.940 8.019 -0.079 18255
5611 1 13 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.989 -0.619 18255
5612 1 13 . 1 1 66 66 ILE C C 66 176.700 176.700 177.538 -0.838 18255
5613 1 13 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.509 0.991 18255
5614 1 13 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.769 0.131 18255
5615 1 13 . 1 1 67 67 GLU N N 67 118.400 118.400 121.783 -3.383 18255
5616 1 13 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.148 -0.198 18255
5617 1 13 . 1 1 67 67 GLU C C 67 178.600 178.600 179.100 -0.500 18255
5618 1 13 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.910 0.390 18255
5619 1 13 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.185 0.115 18255
5620 1 13 . 1 1 67 67 GLU H H 67 7.600 7.600 8.184 -0.584 18255
5621 1 13 . 1 1 68 68 GLN N N 68 116.400 116.400 115.247 1.153 18255
5622 1 13 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.191 -0.071 18255
5623 1 13 . 1 1 68 68 GLN C C 68 177.400 177.400 177.003 0.397 18255
5624 1 13 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.336 1.264 18255
5625 1 13 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.536 0.064 18255
5626 1 13 . 1 1 68 68 GLN H H 68 7.620 7.620 8.330 -0.710 18255
5627 1 13 . 1 1 69 69 LEU N N 69 120.000 120.000 117.171 2.829 18255
5628 1 13 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.523 -0.433 18255
5629 1 13 . 1 1 69 69 LEU C C 69 176.600 176.600 178.052 -1.452 18255
5630 1 13 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.103 0.697 18255
5631 1 13 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.696 -0.796 18255
5632 1 13 . 1 1 69 69 LEU H H 69 7.900 7.900 7.444 0.456 18255
5633 1 13 . 1 1 70 70 TRP N N 70 119.200 119.200 117.953 1.247 18255
5634 1 13 . 1 1 70 70 TRP C C 70 177.100 177.100 179.421 -2.321 18255
5635 1 13 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.585 -2.585 18255
5636 1 13 . 1 1 70 70 TRP CB C 70 29.300 29.300 29.848 -0.548 18255
5637 1 13 . 1 1 70 70 TRP H H 70 8.120 8.120 8.596 -0.476 18255
5638 1 13 . 1 1 71 71 THR N N 71 114.500 114.500 114.433 0.067 18255
5639 1 13 . 1 1 71 71 THR HA H 71 4.160 4.160 4.241 -0.081 18255
5640 1 13 . 1 1 71 71 THR C C 71 174.700 174.700 175.203 -0.503 18255
5641 1 13 . 1 1 71 71 THR CA C 71 63.700 63.700 65.032 -1.332 18255
5642 1 13 . 1 1 71 71 THR CB C 71 69.500 69.500 68.616 0.884 18255
5643 1 13 . 1 1 71 71 THR H H 71 7.960 7.960 7.626 0.334 18255
5644 1 13 . 1 1 72 72 ASP N N 72 120.700 120.700 120.810 -0.110 18255
5645 1 13 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.273 0.287 18255
5646 1 13 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.971 -0.971 18255
5647 1 13 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.477 0.323 18255
5648 1 13 . 1 1 72 72 ASP H H 72 8.140 8.140 8.073 0.067 18255
5649 1 13 . 1 1 74 74 VAL N N 74 121.700 121.700 127.927 -6.227 18255
5650 1 13 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.376 -0.036 18255
5651 1 13 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.755 1.345 18255
5652 1 13 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.291 -0.791 18255
5653 1 13 . 1 1 74 74 VAL H H 74 7.950 7.950 7.983 -0.033 18255
5654 1 13 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.640 -0.260 18255
5655 1 13 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.269 1.032 18255
5656 1 13 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.446 -0.246 18255
5657 1 13 . 1 1 76 76 ALA N N 76 124.200 124.200 121.383 2.817 18255
5658 1 13 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.084 0.056 18255
5659 1 13 . 1 1 76 76 ALA C C 76 178.400 178.400 179.515 -1.115 18255
5660 1 13 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.682 -0.882 18255
5661 1 13 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.068 0.632 18255
5662 1 13 . 1 1 76 76 ALA H H 76 8.600 8.600 8.415 0.185 18255
5663 1 13 . 1 1 77 77 SER N N 77 112.900 112.900 113.275 -0.375 18255
5664 1 13 . 1 1 77 77 SER HA H 77 4.340 4.340 4.223 0.117 18255
5665 1 13 . 1 1 77 77 SER C C 77 175.200 175.200 176.321 -1.121 18255
5666 1 13 . 1 1 77 77 SER CA C 77 59.200 59.200 60.014 -0.814 18255
5667 1 13 . 1 1 77 77 SER CB C 77 63.200 63.200 62.697 0.503 18255
5668 1 13 . 1 1 77 77 SER H H 77 8.310 8.310 8.195 0.115 18255
5669 1 13 . 1 1 78 78 VAL N N 78 121.700 121.700 123.253 -1.553 18255
5670 1 13 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.775 0.245 18255
5671 1 13 . 1 1 78 78 VAL C C 78 176.600 176.600 176.800 -0.200 18255
5672 1 13 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.505 -2.105 18255
5673 1 13 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.927 0.373 18255
5674 1 13 . 1 1 78 78 VAL H H 78 7.810 7.810 8.019 -0.209 18255
5675 1 13 . 1 1 79 79 ARG N N 79 121.900 121.900 117.114 4.786 18255
5676 1 13 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.163 -0.003 18255
5677 1 13 . 1 1 79 79 ARG CA C 79 57.300 57.300 57.905 -0.605 18255
5678 1 13 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.688 0.812 18255
5679 1 13 . 1 1 79 79 ARG H H 79 8.100 8.100 7.776 0.324 18255
5680 1 13 . 1 1 80 80 GLU N N 80 119.600 119.600 119.798 -0.198 18255
5681 1 13 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.390 0.610 18255
5682 1 13 . 1 1 80 80 GLU H H 80 8.260 8.260 7.844 0.416 18255
5683 1 13 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.697 -0.146 18255
5684 1 13 . 1 1 81 81 HIS C C 81 175.600 175.600 176.526 -0.926 18255
5685 1 13 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.102 -1.902 18255
5686 1 13 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.036 0.364 18255
5687 1 13 . 1 1 82 82 LEU N N 82 121.500 121.500 119.502 1.998 18255
5688 1 13 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.315 -0.055 18255
5689 1 13 . 1 1 82 82 LEU C C 82 177.200 177.200 176.957 0.243 18255
5690 1 13 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.650 -0.050 18255
5691 1 13 . 1 1 82 82 LEU CB C 82 42.100 42.100 43.566 -1.466 18255
5692 1 13 . 1 1 82 82 LEU H H 82 8.120 8.120 7.357 0.763 18255
5693 1 13 . 1 1 83 83 ASN N N 83 118.300 118.300 117.649 0.651 18255
5694 1 13 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.674 -0.034 18255
5695 1 13 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.154 0.346 18255
5696 1 13 . 1 1 83 83 ASN CB C 83 38.600 38.600 37.500 1.100 18255
5697 1 13 . 1 1 83 83 ASN H H 83 8.400 8.400 7.860 0.540 18255
5698 1 13 . 1 1 85 85 HIS C C 85 174.900 174.900 174.890 0.010 18255
5699 1 13 . 1 1 85 85 HIS CA C 85 56.300 56.300 57.395 -1.095 18255
5700 1 13 . 1 1 85 85 HIS CB C 85 30.600 30.600 28.462 2.138 18255
5701 1 13 . 1 1 86 86 SER N N 86 116.700 116.700 114.961 1.739 18255
5702 1 13 . 1 1 86 86 SER C C 86 174.100 174.100 175.673 -1.573 18255
5703 1 13 . 1 1 86 86 SER CA C 86 58.400 58.400 59.321 -0.921 18255
5704 1 13 . 1 1 86 86 SER CB C 86 64.300 64.300 65.355 -1.055 18255
5705 1 13 . 1 1 86 86 SER H H 86 8.220 8.220 8.326 -0.106 18255
5706 1 13 . 1 1 87 87 GLY N N 87 110.400 110.400 110.068 0.332 18255
5707 1 13 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.833 -0.333 18255
5708 1 13 . 1 1 87 87 GLY H H 87 8.310 8.310 8.043 0.267 18255
5709 1 13 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.585 -0.215 18255
5710 1 13 . 1 1 88 88 PRO C C 88 177.400 177.400 176.908 0.492 18255
5711 1 13 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.282 0.918 18255
5712 1 13 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.444 -0.445 18255
5713 1 13 . 1 1 89 89 GLY N N 89 109.300 109.300 108.589 0.711 18255
5714 1 13 . 1 1 89 89 GLY C C 89 173.800 173.800 174.557 -0.757 18255
5715 1 13 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.869 0.331 18255
5716 1 13 . 1 1 89 89 GLY H H 89 8.500 8.500 8.395 0.105 18255
5717 1 13 . 1 1 90 90 ILE N N 90 119.600 119.600 121.815 -2.215 18255
5718 1 13 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.423 -0.343 18255
5719 1 13 . 1 1 90 90 ILE C C 90 175.400 175.400 175.131 0.269 18255
5720 1 13 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.797 0.203 18255
5721 1 13 . 1 1 90 90 ILE CB C 90 38.900 38.900 39.363 -0.463 18255
5722 1 13 . 1 1 90 90 ILE H H 90 7.910 7.910 8.618 -0.708 18255
5723 1 13 . 1 1 91 91 ASP N N 91 123.400 123.400 123.909 -0.509 18255
5724 1 13 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.326 0.244 18255
5725 1 13 . 1 1 91 91 ASP C C 91 175.700 175.700 174.249 1.451 18255
5726 1 13 . 1 1 91 91 ASP CA C 91 53.900 53.900 55.281 -1.381 18255
5727 1 13 . 1 1 91 91 ASP CB C 91 41.100 41.100 41.986 -0.886 18255
5728 1 13 . 1 1 91 91 ASP H H 91 8.350 8.350 8.680 -0.330 18255
5729 1 13 . 1 1 92 92 TYR N N 92 120.800 120.800 119.558 1.242 18255
5730 1 13 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.726 -0.266 18255
5731 1 13 . 1 1 92 92 TYR C C 92 175.200 175.200 173.901 1.299 18255
5732 1 13 . 1 1 92 92 TYR CA C 92 58.000 58.000 55.912 2.088 18255
5733 1 13 . 1 1 92 92 TYR CB C 92 38.600 38.600 40.781 -2.181 18255
5734 1 13 . 1 1 92 92 TYR H H 92 8.050 8.050 7.609 0.441 18255
5735 1 13 . 1 1 93 93 ALA N N 93 124.700 124.700 122.686 2.014 18255
5736 1 13 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.525 -0.225 18255
5737 1 13 . 1 1 93 93 ALA C C 93 177.100 177.100 175.533 1.567 18255
5738 1 13 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.324 1.076 18255
5739 1 13 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.798 -0.498 18255
5740 1 13 . 1 1 93 93 ALA H H 93 8.170 8.170 7.992 0.178 18255
5741 1 13 . 1 1 94 94 VAL N N 94 119.400 119.400 121.434 -2.034 18255
5742 1 13 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.820 0.230 18255
5743 1 13 . 1 1 94 94 VAL C C 94 175.100 175.100 176.082 -0.982 18255
5744 1 13 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.658 -0.258 18255
5745 1 13 . 1 1 94 94 VAL CB C 94 32.300 32.300 32.465 -0.165 18255
5746 1 13 . 1 1 94 94 VAL H H 94 8.000 8.000 8.398 -0.398 18255
5747 1 14 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.309 -0.349 18255
5748 1 14 . 1 1 2 2 ALA CA C 2 51.700 51.700 51.770 -0.070 18255
5749 1 14 . 1 1 2 2 ALA CB C 2 19.700 19.700 20.233 -0.533 18255
5750 1 14 . 1 1 8 8 HIS C C 8 175.200 175.200 174.671 0.529 18255
5751 1 14 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.574 1.026 18255
5752 1 14 . 1 1 8 8 HIS CB C 8 30.800 30.800 31.350 -0.550 18255
5753 1 14 . 1 1 9 9 MET N N 9 121.800 121.800 123.831 -2.031 18255
5754 1 14 . 1 1 9 9 MET C C 9 176.400 176.400 175.894 0.506 18255
5755 1 14 . 1 1 9 9 MET CA C 9 55.800 55.800 54.709 1.091 18255
5756 1 14 . 1 1 9 9 MET CB C 9 32.800 32.800 32.543 0.257 18255
5757 1 14 . 1 1 9 9 MET H H 9 8.470 8.470 8.657 -0.187 18255
5758 1 14 . 1 1 10 10 GLY N N 10 109.800 109.800 112.519 -2.719 18255
5759 1 14 . 1 1 10 10 GLY C C 10 174.100 174.100 174.151 -0.051 18255
5760 1 14 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.554 0.746 18255
5761 1 14 . 1 1 10 10 GLY H H 10 8.490 8.490 8.456 0.034 18255
5762 1 14 . 1 1 11 11 THR N N 11 113.600 113.600 114.761 -1.161 18255
5763 1 14 . 1 1 11 11 THR HA H 11 3.710 3.710 4.498 -0.788 18255
5764 1 14 . 1 1 11 11 THR C C 11 174.600 174.600 173.979 0.621 18255
5765 1 14 . 1 1 11 11 THR CA C 11 62.400 62.400 62.264 0.136 18255
5766 1 14 . 1 1 11 11 THR CB C 11 70.100 70.100 69.844 0.256 18255
5767 1 14 . 1 1 11 11 THR H H 11 8.100 8.100 8.270 -0.170 18255
5768 1 14 . 1 1 12 12 LEU N N 12 123.900 123.900 123.364 0.536 18255
5769 1 14 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.629 -0.329 18255
5770 1 14 . 1 1 12 12 LEU C C 12 177.400 177.400 176.663 0.737 18255
5771 1 14 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.029 1.571 18255
5772 1 14 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.810 -0.710 18255
5773 1 14 . 1 1 12 12 LEU H H 12 8.350 8.350 8.002 0.348 18255
5774 1 14 . 1 1 13 13 GLU N N 13 121.300 121.300 124.928 -3.628 18255
5775 1 14 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.519 -0.329 18255
5776 1 14 . 1 1 13 13 GLU C C 13 176.200 176.200 176.137 0.063 18255
5777 1 14 . 1 1 13 13 GLU CA C 13 56.900 56.900 54.618 2.282 18255
5778 1 14 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.679 -0.679 18255
5779 1 14 . 1 1 13 13 GLU H H 13 8.420 8.420 8.597 -0.177 18255
5780 1 14 . 1 1 14 14 ALA N N 14 124.100 124.100 123.160 0.940 18255
5781 1 14 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.497 -0.237 18255
5782 1 14 . 1 1 14 14 ALA C C 14 177.700 177.700 177.096 0.604 18255
5783 1 14 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.381 1.319 18255
5784 1 14 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.072 0.028 18255
5785 1 14 . 1 1 14 14 ALA H H 14 8.260 8.260 8.271 -0.011 18255
5786 1 14 . 1 1 15 15 GLN N N 15 119.100 119.100 123.888 -4.788 18255
5787 1 14 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.121 0.239 18255
5788 1 14 . 1 1 15 15 GLN C C 15 176.200 176.200 176.177 0.023 18255
5789 1 14 . 1 1 15 15 GLN CA C 15 55.900 55.900 56.554 -0.654 18255
5790 1 14 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.833 1.467 18255
5791 1 14 . 1 1 15 15 GLN H H 15 8.340 8.340 8.760 -0.420 18255
5792 1 14 . 1 1 16 16 THR N N 16 114.600 114.600 118.978 -4.378 18255
5793 1 14 . 1 1 16 16 THR HA H 16 4.320 4.320 4.110 0.210 18255
5794 1 14 . 1 1 16 16 THR C C 16 174.300 174.300 175.285 -0.985 18255
5795 1 14 . 1 1 16 16 THR CA C 16 61.900 61.900 63.902 -2.002 18255
5796 1 14 . 1 1 16 16 THR CB C 16 69.700 69.700 69.542 0.158 18255
5797 1 14 . 1 1 16 16 THR H H 16 8.160 8.160 8.516 -0.356 18255
5798 1 14 . 1 1 17 17 GLN N N 17 122.200 122.200 116.347 5.853 18255
5799 1 14 . 1 1 17 17 GLN C C 17 175.800 175.800 174.374 1.426 18255
5800 1 14 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.767 1.133 18255
5801 1 14 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.099 -1.499 18255
5802 1 14 . 1 1 17 17 GLN H H 17 8.410 8.410 7.577 0.833 18255
5803 1 14 . 1 1 18 18 GLY N N 18 110.100 110.100 106.311 3.789 18255
5804 1 14 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.372 -0.772 18255
5805 1 14 . 1 1 18 18 GLY H H 18 8.340 8.340 8.247 0.093 18255
5806 1 14 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.620 -0.190 18255
5807 1 14 . 1 1 19 19 PRO C C 19 177.500 177.500 177.060 0.440 18255
5808 1 14 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.161 1.339 18255
5809 1 14 . 1 1 19 19 PRO CB C 19 32.100 32.100 33.015 -0.915 18255
5810 1 14 . 1 1 20 20 GLY N N 20 109.600 109.600 105.624 3.976 18255
5811 1 14 . 1 1 20 20 GLY C C 20 174.000 174.000 173.337 0.663 18255
5812 1 14 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.954 0.246 18255
5813 1 14 . 1 1 20 20 GLY H H 20 8.620 8.620 8.065 0.555 18255
5814 1 14 . 1 1 21 21 SER N N 21 115.300 115.300 118.162 -2.862 18255
5815 1 14 . 1 1 21 21 SER HA H 21 4.460 4.460 4.563 -0.103 18255
5816 1 14 . 1 1 21 21 SER C C 21 174.700 174.700 175.091 -0.391 18255
5817 1 14 . 1 1 21 21 SER CA C 21 58.400 58.400 59.499 -1.099 18255
5818 1 14 . 1 1 21 21 SER CB C 21 64.000 64.000 63.135 0.865 18255
5819 1 14 . 1 1 21 21 SER H H 21 8.240 8.240 8.581 -0.341 18255
5820 1 14 . 1 1 22 22 MET N N 22 122.000 122.000 121.482 0.518 18255
5821 1 14 . 1 1 22 22 MET HA H 22 4.530 4.530 4.105 0.425 18255
5822 1 14 . 1 1 22 22 MET C C 22 176.000 176.000 175.325 0.675 18255
5823 1 14 . 1 1 22 22 MET CA C 22 55.700 55.700 56.364 -0.664 18255
5824 1 14 . 1 1 22 22 MET CB C 22 32.600 32.600 31.970 0.630 18255
5825 1 14 . 1 1 22 22 MET H H 22 8.570 8.570 8.811 -0.241 18255
5826 1 14 . 1 1 23 23 ASP N N 23 120.600 120.600 119.730 0.870 18255
5827 1 14 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.821 -0.191 18255
5828 1 14 . 1 1 23 23 ASP C C 23 175.700 175.700 175.128 0.572 18255
5829 1 14 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.208 1.592 18255
5830 1 14 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.179 -1.179 18255
5831 1 14 . 1 1 23 23 ASP H H 23 8.330 8.330 7.570 0.760 18255
5832 1 14 . 1 1 24 24 ASP N N 24 119.800 119.800 119.538 0.262 18255
5833 1 14 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.695 -0.035 18255
5834 1 14 . 1 1 24 24 ASP C C 24 175.800 175.800 175.925 -0.125 18255
5835 1 14 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.792 0.308 18255
5836 1 14 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.459 -1.159 18255
5837 1 14 . 1 1 24 24 ASP H H 24 8.250 8.250 8.383 -0.133 18255
5838 1 14 . 1 1 25 25 GLU N N 25 120.600 120.600 118.831 1.769 18255
5839 1 14 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.391 -0.171 18255
5840 1 14 . 1 1 25 25 GLU C C 25 175.200 175.200 176.908 -1.708 18255
5841 1 14 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.878 0.522 18255
5842 1 14 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.587 -0.087 18255
5843 1 14 . 1 1 25 25 GLU H H 25 8.190 8.190 8.407 -0.217 18255
5844 1 14 . 1 1 26 26 LEU N N 26 121.500 121.500 120.709 0.791 18255
5845 1 14 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.436 0.104 18255
5846 1 14 . 1 1 26 26 LEU C C 26 175.200 175.200 176.365 -1.165 18255
5847 1 14 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.033 -1.033 18255
5848 1 14 . 1 1 26 26 LEU CB C 26 43.700 43.700 40.883 2.817 18255
5849 1 14 . 1 1 26 26 LEU H H 26 8.270 8.270 8.551 -0.281 18255
5850 1 14 . 1 1 27 27 TYR N N 27 119.400 119.400 121.156 -1.756 18255
5851 1 14 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.230 -0.260 18255
5852 1 14 . 1 1 27 27 TYR C C 27 173.100 173.100 174.677 -1.577 18255
5853 1 14 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.877 -0.177 18255
5854 1 14 . 1 1 27 27 TYR CB C 27 43.900 43.900 43.450 0.450 18255
5855 1 14 . 1 1 27 27 TYR H H 27 9.250 9.250 9.056 0.194 18255
5856 1 14 . 1 1 28 28 PHE N N 28 114.700 114.700 118.298 -3.598 18255
5857 1 14 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.852 0.218 18255
5858 1 14 . 1 1 28 28 PHE C C 28 178.100 178.100 174.017 4.083 18255
5859 1 14 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.695 0.405 18255
5860 1 14 . 1 1 28 28 PHE CB C 28 42.500 42.500 44.632 -2.132 18255
5861 1 14 . 1 1 28 28 PHE H H 28 9.510 9.510 9.382 0.128 18255
5862 1 14 . 1 1 29 29 VAL N N 29 121.100 121.100 122.754 -1.654 18255
5863 1 14 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.693 -0.213 18255
5864 1 14 . 1 1 29 29 VAL C C 29 175.200 175.200 175.080 0.120 18255
5865 1 14 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.184 1.816 18255
5866 1 14 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.872 0.028 18255
5867 1 14 . 1 1 29 29 VAL H H 29 9.110 9.110 8.802 0.308 18255
5868 1 14 . 1 1 30 30 VAL N N 30 119.800 119.800 122.060 -2.260 18255
5869 1 14 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.483 0.067 18255
5870 1 14 . 1 1 30 30 VAL C C 30 173.800 173.800 174.331 -0.531 18255
5871 1 14 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.922 -0.922 18255
5872 1 14 . 1 1 30 30 VAL CB C 30 36.100 36.100 35.826 0.274 18255
5873 1 14 . 1 1 30 30 VAL H H 30 8.890 8.890 9.053 -0.163 18255
5874 1 14 . 1 1 31 31 ARG N N 31 119.700 119.700 117.878 1.822 18255
5875 1 14 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.691 0.499 18255
5876 1 14 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.179 -1.679 18255
5877 1 14 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.005 1.095 18255
5878 1 14 . 1 1 31 31 ARG H H 31 8.980 8.980 9.109 -0.129 18255
5879 1 14 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.672 -0.432 18255
5880 1 14 . 1 1 32 32 ASN C C 32 176.600 176.600 174.600 2.000 18255
5881 1 14 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.387 -2.687 18255
5882 1 14 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.766 -4.066 18255
5883 1 14 . 1 1 33 33 ASN N N 33 114.800 114.800 119.310 -4.510 18255
5884 1 14 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.265 0.025 18255
5885 1 14 . 1 1 33 33 ASN C C 33 175.600 175.600 175.068 0.532 18255
5886 1 14 . 1 1 33 33 ASN CA C 33 55.500 55.500 54.889 0.611 18255
5887 1 14 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.920 -0.120 18255
5888 1 14 . 1 1 33 33 ASN H H 33 7.760 7.760 8.832 -1.072 18255
5889 1 14 . 1 1 34 34 GLU N N 34 116.900 116.900 116.268 0.632 18255
5890 1 14 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.331 -0.021 18255
5891 1 14 . 1 1 34 34 GLU C C 34 176.200 176.200 177.290 -1.090 18255
5892 1 14 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.253 -0.353 18255
5893 1 14 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.901 -0.401 18255
5894 1 14 . 1 1 34 34 GLU H H 34 7.340 7.340 8.024 -0.684 18255
5895 1 14 . 1 1 35 35 GLY N N 35 107.000 107.000 108.682 -1.682 18255
5896 1 14 . 1 1 35 35 GLY C C 35 173.400 173.400 173.425 -0.025 18255
5897 1 14 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.075 0.325 18255
5898 1 14 . 1 1 35 35 GLY H H 35 7.720 7.720 7.988 -0.268 18255
5899 1 14 . 1 1 36 36 GLN N N 36 117.700 117.700 119.540 -1.840 18255
5900 1 14 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.786 0.494 18255
5901 1 14 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.802 -0.302 18255
5902 1 14 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.737 -0.237 18255
5903 1 14 . 1 1 36 36 GLN H H 36 7.570 7.570 7.581 -0.011 18255
5904 1 14 . 1 1 37 37 TYR C C 37 176.300 176.300 175.726 0.574 18255
5905 1 14 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.420 0.080 18255
5906 1 14 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.593 2.207 18255
5907 1 14 . 1 1 38 38 SER N N 38 114.700 114.700 117.257 -2.557 18255
5908 1 14 . 1 1 38 38 SER HA H 38 5.770 5.770 4.985 0.785 18255
5909 1 14 . 1 1 38 38 SER C C 38 173.100 173.100 172.802 0.298 18255
5910 1 14 . 1 1 38 38 SER CA C 38 57.300 57.300 57.622 -0.322 18255
5911 1 14 . 1 1 38 38 SER CB C 38 64.400 64.400 65.974 -1.574 18255
5912 1 14 . 1 1 38 38 SER H H 38 9.230 9.230 8.834 0.396 18255
5913 1 14 . 1 1 39 39 VAL N N 39 114.000 114.000 116.299 -2.299 18255
5914 1 14 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.402 0.298 18255
5915 1 14 . 1 1 39 39 VAL C C 39 175.200 175.200 174.678 0.522 18255
5916 1 14 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.081 -0.181 18255
5917 1 14 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.737 -0.937 18255
5918 1 14 . 1 1 39 39 VAL H H 39 8.430 8.430 8.568 -0.138 18255
5919 1 14 . 1 1 40 40 TRP N N 40 126.600 126.600 126.822 -0.222 18255
5920 1 14 . 1 1 40 40 TRP C C 40 174.000 174.000 173.399 0.601 18255
5921 1 14 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.639 -0.139 18255
5922 1 14 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.077 2.623 18255
5923 1 14 . 1 1 40 40 TRP H H 40 9.590 9.590 9.109 0.481 18255
5924 1 14 . 1 1 41 41 MET N N 41 127.700 127.700 125.885 1.815 18255
5925 1 14 . 1 1 41 41 MET HA H 41 3.470 3.470 3.255 0.215 18255
5926 1 14 . 1 1 41 41 MET C C 41 175.000 175.000 173.653 1.347 18255
5927 1 14 . 1 1 41 41 MET CA C 41 56.900 56.900 54.583 2.317 18255
5928 1 14 . 1 1 41 41 MET CB C 41 33.800 33.800 33.074 0.726 18255
5929 1 14 . 1 1 41 41 MET H H 41 7.860 7.860 7.714 0.146 18255
5930 1 14 . 1 1 42 42 ASP N N 42 123.400 123.400 126.710 -3.310 18255
5931 1 14 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.168 0.352 18255
5932 1 14 . 1 1 42 42 ASP C C 42 176.800 176.800 176.497 0.303 18255
5933 1 14 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.295 0.205 18255
5934 1 14 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.944 -0.444 18255
5935 1 14 . 1 1 42 42 ASP H H 42 8.290 8.290 7.968 0.322 18255
5936 1 14 . 1 1 43 43 GLY N N 43 113.300 113.300 110.097 3.203 18255
5937 1 14 . 1 1 43 43 GLY C C 43 174.000 174.000 173.686 0.314 18255
5938 1 14 . 1 1 43 43 GLY CA C 43 45.300 45.300 44.682 0.618 18255
5939 1 14 . 1 1 43 43 GLY H H 43 8.350 8.350 8.384 -0.034 18255
5940 1 14 . 1 1 44 44 ARG N N 44 119.600 119.600 121.107 -1.507 18255
5941 1 14 . 1 1 44 44 ARG C C 44 176.600 176.600 175.600 1.000 18255
5942 1 14 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.643 0.157 18255
5943 1 14 . 1 1 44 44 ARG CB C 44 31.500 31.500 32.036 -0.536 18255
5944 1 14 . 1 1 44 44 ARG H H 44 7.560 7.560 7.621 -0.061 18255
5945 1 14 . 1 1 45 45 SER N N 45 121.000 121.000 117.885 3.115 18255
5946 1 14 . 1 1 45 45 SER HA H 45 4.310 4.310 4.719 -0.409 18255
5947 1 14 . 1 1 45 45 SER C C 45 174.300 174.300 174.437 -0.137 18255
5948 1 14 . 1 1 45 45 SER CA C 45 59.400 59.400 57.975 1.425 18255
5949 1 14 . 1 1 45 45 SER CB C 45 63.200 63.200 63.577 -0.377 18255
5950 1 14 . 1 1 45 45 SER H H 45 8.830 8.830 8.580 0.250 18255
5951 1 14 . 1 1 46 46 LEU N N 46 127.900 127.900 127.896 0.004 18255
5952 1 14 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.139 -0.289 18255
5953 1 14 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.856 0.144 18255
5954 1 14 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.551 0.649 18255
5955 1 14 . 1 1 46 46 LEU H H 46 8.610 8.610 8.472 0.138 18255
5956 1 14 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.422 -0.242 18255
5957 1 14 . 1 1 47 47 PRO C C 47 175.700 175.700 176.238 -0.538 18255
5958 1 14 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.579 -0.779 18255
5959 1 14 . 1 1 47 47 PRO CB C 47 31.100 31.100 31.933 -0.833 18255
5960 1 14 . 1 1 48 48 ALA N N 48 123.600 123.600 125.763 -2.163 18255
5961 1 14 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.102 -0.002 18255
5962 1 14 . 1 1 48 48 ALA C C 48 178.800 178.800 178.267 0.533 18255
5963 1 14 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.953 -0.453 18255
5964 1 14 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.937 -0.737 18255
5965 1 14 . 1 1 48 48 ALA H H 48 8.260 8.260 8.420 -0.160 18255
5966 1 14 . 1 1 49 49 GLY N N 49 110.200 110.200 111.359 -1.159 18255
5967 1 14 . 1 1 49 49 GLY C C 49 173.800 173.800 174.249 -0.449 18255
5968 1 14 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.471 0.629 18255
5969 1 14 . 1 1 49 49 GLY H H 49 8.720 8.720 8.293 0.427 18255
5970 1 14 . 1 1 50 50 TRP N N 50 119.900 119.900 122.616 -2.716 18255
5971 1 14 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.551 0.119 18255
5972 1 14 . 1 1 50 50 TRP C C 50 174.900 174.900 175.960 -1.060 18255
5973 1 14 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.987 -1.787 18255
5974 1 14 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.907 0.493 18255
5975 1 14 . 1 1 50 50 TRP H H 50 7.640 7.640 7.987 -0.347 18255
5976 1 14 . 1 1 51 51 GLU N N 51 118.200 118.200 122.422 -4.222 18255
5977 1 14 . 1 1 51 51 GLU C C 51 175.400 175.400 175.643 -0.243 18255
5978 1 14 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.483 -0.182 18255
5979 1 14 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.641 0.959 18255
5980 1 14 . 1 1 51 51 GLU H H 51 8.650 8.650 9.098 -0.448 18255
5981 1 14 . 1 1 52 52 THR N N 52 112.200 112.200 112.941 -0.741 18255
5982 1 14 . 1 1 52 52 THR C C 52 174.800 174.800 174.239 0.561 18255
5983 1 14 . 1 1 52 52 THR CA C 52 62.000 62.000 60.721 1.279 18255
5984 1 14 . 1 1 52 52 THR CB C 52 70.000 70.000 70.484 -0.484 18255
5985 1 14 . 1 1 52 52 THR H H 52 8.450 8.450 8.272 0.178 18255
5986 1 14 . 1 1 53 53 VAL N N 53 122.300 122.300 115.459 6.841 18255
5987 1 14 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.200 0.070 18255
5988 1 14 . 1 1 53 53 VAL C C 53 176.200 176.200 174.404 1.796 18255
5989 1 14 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.954 0.346 18255
5990 1 14 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.249 -1.249 18255
5991 1 14 . 1 1 53 53 VAL H H 53 8.800 8.800 8.707 0.093 18255
5992 1 14 . 1 1 54 54 GLY N N 54 115.400 115.400 108.572 6.828 18255
5993 1 14 . 1 1 54 54 GLY C C 54 173.100 173.100 172.691 0.409 18255
5994 1 14 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.771 0.129 18255
5995 1 14 . 1 1 54 54 GLY H H 54 8.830 8.830 8.711 0.119 18255
5996 1 14 . 1 1 55 55 GLU N N 55 119.000 119.000 119.984 -0.984 18255
5997 1 14 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.848 -0.128 18255
5998 1 14 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.077 -0.477 18255
5999 1 14 . 1 1 55 55 GLU H H 55 8.390 8.390 8.503 -0.113 18255
6000 1 14 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.243 0.177 18255
6001 1 14 . 1 1 56 56 PRO C C 56 176.200 176.200 175.415 0.785 18255
6002 1 14 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.168 0.732 18255
6003 1 14 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.770 0.730 18255
6004 1 14 . 1 1 57 57 ALA N N 57 124.300 124.300 126.194 -1.894 18255
6005 1 14 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.643 -0.013 18255
6006 1 14 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.279 0.021 18255
6007 1 14 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.292 -0.092 18255
6008 1 14 . 1 1 57 57 ALA H H 57 9.580 9.580 8.536 1.044 18255
6009 1 14 . 1 1 58 58 THR N N 58 108.700 108.700 111.314 -2.614 18255
6010 1 14 . 1 1 58 58 THR C C 58 175.700 175.700 176.530 -0.830 18255
6011 1 14 . 1 1 58 58 THR CA C 58 62.200 62.200 61.725 0.475 18255
6012 1 14 . 1 1 58 58 THR CB C 58 70.600 70.600 69.754 0.846 18255
6013 1 14 . 1 1 58 58 THR H H 58 8.070 8.070 8.247 -0.177 18255
6014 1 14 . 1 1 59 59 LYS N N 59 123.400 123.400 123.731 -0.331 18255
6015 1 14 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.298 -0.128 18255
6016 1 14 . 1 1 59 59 LYS C C 59 178.100 178.100 178.346 -0.246 18255
6017 1 14 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.579 1.721 18255
6018 1 14 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.399 0.301 18255
6019 1 14 . 1 1 59 59 LYS H H 59 9.420 9.420 8.428 0.992 18255
6020 1 14 . 1 1 60 60 GLN N N 60 114.800 114.800 117.945 -3.145 18255
6021 1 14 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.868 0.002 18255
6022 1 14 . 1 1 60 60 GLN C C 60 178.600 178.600 178.003 0.597 18255
6023 1 14 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.232 -0.032 18255
6024 1 14 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.344 -0.244 18255
6025 1 14 . 1 1 60 60 GLN H H 60 8.610 8.610 8.546 0.064 18255
6026 1 14 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.101 -0.071 18255
6027 1 14 . 1 1 61 61 GLN C C 61 179.700 179.700 178.689 1.011 18255
6028 1 14 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.354 0.546 18255
6029 1 14 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.444 0.256 18255
6030 1 14 . 1 1 61 61 GLN H H 61 7.690 7.690 7.652 0.038 18255
6031 1 14 . 1 1 62 62 CYS N N 62 118.800 118.800 118.049 0.751 18255
6032 1 14 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.243 -0.353 18255
6033 1 14 . 1 1 62 62 CYS C C 62 176.400 176.400 177.367 -0.967 18255
6034 1 14 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.092 1.708 18255
6035 1 14 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.072 0.128 18255
6036 1 14 . 1 1 62 62 CYS H H 62 8.460 8.460 8.605 -0.145 18255
6037 1 14 . 1 1 63 63 LEU N N 63 119.200 119.200 119.904 -0.704 18255
6038 1 14 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.072 -0.182 18255
6039 1 14 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.147 -0.047 18255
6040 1 14 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.751 0.149 18255
6041 1 14 . 1 1 63 63 LEU H H 63 8.350 8.350 8.220 0.130 18255
6042 1 14 . 1 1 64 64 GLN N N 64 119.000 119.000 119.485 -0.485 18255
6043 1 14 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.103 -0.073 18255
6044 1 14 . 1 1 64 64 GLN C C 64 178.400 178.400 178.480 -0.080 18255
6045 1 14 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.060 -0.460 18255
6046 1 14 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.480 -0.180 18255
6047 1 14 . 1 1 64 64 GLN H H 64 7.910 7.910 8.162 -0.252 18255
6048 1 14 . 1 1 65 65 ARG N N 65 120.000 120.000 119.329 0.671 18255
6049 1 14 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.080 -0.080 18255
6050 1 14 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.827 -0.527 18255
6051 1 14 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.209 -0.309 18255
6052 1 14 . 1 1 65 65 ARG H H 65 7.940 7.940 7.930 0.010 18255
6053 1 14 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.968 -0.598 18255
6054 1 14 . 1 1 66 66 ILE C C 66 176.700 176.700 177.433 -0.733 18255
6055 1 14 . 1 1 66 66 ILE CA C 66 65.500 65.500 63.834 1.666 18255
6056 1 14 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.636 0.264 18255
6057 1 14 . 1 1 67 67 GLU N N 67 118.400 118.400 120.129 -1.729 18255
6058 1 14 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.064 -0.114 18255
6059 1 14 . 1 1 67 67 GLU C C 67 178.600 178.600 178.576 0.024 18255
6060 1 14 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.965 0.335 18255
6061 1 14 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.063 0.237 18255
6062 1 14 . 1 1 67 67 GLU H H 67 7.600 7.600 8.528 -0.928 18255
6063 1 14 . 1 1 68 68 GLN N N 68 116.400 116.400 116.729 -0.329 18255
6064 1 14 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.292 -0.172 18255
6065 1 14 . 1 1 68 68 GLN C C 68 177.400 177.400 176.708 0.692 18255
6066 1 14 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.864 0.736 18255
6067 1 14 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.814 -0.214 18255
6068 1 14 . 1 1 68 68 GLN H H 68 7.620 7.620 7.712 -0.092 18255
6069 1 14 . 1 1 69 69 LEU N N 69 120.000 120.000 119.552 0.448 18255
6070 1 14 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.556 -0.466 18255
6071 1 14 . 1 1 69 69 LEU C C 69 176.600 176.600 179.065 -2.465 18255
6072 1 14 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.922 -0.122 18255
6073 1 14 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.673 -0.773 18255
6074 1 14 . 1 1 69 69 LEU H H 69 7.900 7.900 7.833 0.067 18255
6075 1 14 . 1 1 70 70 TRP N N 70 119.200 119.200 121.824 -2.624 18255
6076 1 14 . 1 1 70 70 TRP C C 70 177.100 177.100 177.708 -0.608 18255
6077 1 14 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.786 -2.786 18255
6078 1 14 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.511 -1.211 18255
6079 1 14 . 1 1 70 70 TRP H H 70 8.120 8.120 8.846 -0.726 18255
6080 1 14 . 1 1 71 71 THR N N 71 114.500 114.500 112.704 1.796 18255
6081 1 14 . 1 1 71 71 THR HA H 71 4.160 4.160 4.052 0.108 18255
6082 1 14 . 1 1 71 71 THR C C 71 174.700 174.700 176.740 -2.040 18255
6083 1 14 . 1 1 71 71 THR CA C 71 63.700 63.700 65.190 -1.490 18255
6084 1 14 . 1 1 71 71 THR CB C 71 69.500 69.500 68.912 0.588 18255
6085 1 14 . 1 1 71 71 THR H H 71 7.960 7.960 7.751 0.209 18255
6086 1 14 . 1 1 72 72 ASP N N 72 120.700 120.700 123.815 -3.115 18255
6087 1 14 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.428 0.133 18255
6088 1 14 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.761 -1.761 18255
6089 1 14 . 1 1 72 72 ASP CB C 72 40.800 40.800 39.738 1.062 18255
6090 1 14 . 1 1 72 72 ASP H H 72 8.140 8.140 8.888 -0.748 18255
6091 1 14 . 1 1 74 74 VAL N N 74 121.700 121.700 125.071 -3.371 18255
6092 1 14 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.166 0.174 18255
6093 1 14 . 1 1 74 74 VAL CA C 74 60.100 60.100 60.098 0.002 18255
6094 1 14 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.385 -0.885 18255
6095 1 14 . 1 1 74 74 VAL H H 74 7.950 7.950 7.884 0.066 18255
6096 1 14 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.539 -0.159 18255
6097 1 14 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.581 0.719 18255
6098 1 14 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.330 -0.130 18255
6099 1 14 . 1 1 76 76 ALA N N 76 124.200 124.200 121.498 2.702 18255
6100 1 14 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.094 0.046 18255
6101 1 14 . 1 1 76 76 ALA C C 76 178.400 178.400 179.434 -1.034 18255
6102 1 14 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.700 -0.900 18255
6103 1 14 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.028 0.672 18255
6104 1 14 . 1 1 76 76 ALA H H 76 8.600 8.600 8.453 0.147 18255
6105 1 14 . 1 1 77 77 SER N N 77 112.900 112.900 113.588 -0.688 18255
6106 1 14 . 1 1 77 77 SER HA H 77 4.340 4.340 4.176 0.164 18255
6107 1 14 . 1 1 77 77 SER C C 77 175.200 175.200 176.469 -1.269 18255
6108 1 14 . 1 1 77 77 SER CA C 77 59.200 59.200 60.473 -1.273 18255
6109 1 14 . 1 1 77 77 SER CB C 77 63.200 63.200 62.433 0.767 18255
6110 1 14 . 1 1 77 77 SER H H 77 8.310 8.310 8.226 0.084 18255
6111 1 14 . 1 1 78 78 VAL N N 78 121.700 121.700 122.478 -0.778 18255
6112 1 14 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.698 0.322 18255
6113 1 14 . 1 1 78 78 VAL C C 78 176.600 176.600 177.558 -0.958 18255
6114 1 14 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.513 -2.113 18255
6115 1 14 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.849 0.452 18255
6116 1 14 . 1 1 78 78 VAL H H 78 7.810 7.810 7.881 -0.071 18255
6117 1 14 . 1 1 79 79 ARG N N 79 121.900 121.900 118.505 3.395 18255
6118 1 14 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.093 0.067 18255
6119 1 14 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.931 -1.631 18255
6120 1 14 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.838 0.662 18255
6121 1 14 . 1 1 79 79 ARG H H 79 8.100 8.100 8.002 0.098 18255
6122 1 14 . 1 1 80 80 GLU N N 80 119.600 119.600 119.921 -0.321 18255
6123 1 14 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.611 0.389 18255
6124 1 14 . 1 1 80 80 GLU H H 80 8.260 8.260 7.826 0.434 18255
6125 1 14 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.873 -0.323 18255
6126 1 14 . 1 1 81 81 HIS C C 81 175.600 175.600 176.676 -1.076 18255
6127 1 14 . 1 1 81 81 HIS CA C 81 56.200 56.200 56.319 -0.119 18255
6128 1 14 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.573 -0.173 18255
6129 1 14 . 1 1 82 82 LEU N N 82 121.500 121.500 120.578 0.922 18255
6130 1 14 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.054 0.206 18255
6131 1 14 . 1 1 82 82 LEU C C 82 177.200 177.200 177.890 -0.690 18255
6132 1 14 . 1 1 82 82 LEU CA C 82 55.600 55.600 56.814 -1.214 18255
6133 1 14 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.317 0.783 18255
6134 1 14 . 1 1 82 82 LEU H H 82 8.120 8.120 7.549 0.571 18255
6135 1 14 . 1 1 83 83 ASN N N 83 118.300 118.300 118.163 0.137 18255
6136 1 14 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.547 0.093 18255
6137 1 14 . 1 1 83 83 ASN CA C 83 53.500 53.500 55.473 -1.973 18255
6138 1 14 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.412 0.188 18255
6139 1 14 . 1 1 83 83 ASN H H 83 8.400 8.400 8.116 0.284 18255
6140 1 14 . 1 1 85 85 HIS C C 85 174.900 174.900 174.624 0.276 18255
6141 1 14 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.325 0.975 18255
6142 1 14 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.060 0.540 18255
6143 1 14 . 1 1 86 86 SER N N 86 116.700 116.700 115.778 0.922 18255
6144 1 14 . 1 1 86 86 SER C C 86 174.100 174.100 174.941 -0.841 18255
6145 1 14 . 1 1 86 86 SER CA C 86 58.400 58.400 58.319 0.081 18255
6146 1 14 . 1 1 86 86 SER CB C 86 64.300 64.300 63.134 1.166 18255
6147 1 14 . 1 1 86 86 SER H H 86 8.220 8.220 8.165 0.055 18255
6148 1 14 . 1 1 87 87 GLY N N 87 110.400 110.400 111.340 -0.940 18255
6149 1 14 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.920 -0.420 18255
6150 1 14 . 1 1 87 87 GLY H H 87 8.310 8.310 8.016 0.294 18255
6151 1 14 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.618 -0.248 18255
6152 1 14 . 1 1 88 88 PRO C C 88 177.400 177.400 176.322 1.078 18255
6153 1 14 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.098 1.102 18255
6154 1 14 . 1 1 88 88 PRO CB C 88 32.000 32.000 30.331 1.669 18255
6155 1 14 . 1 1 89 89 GLY N N 89 109.300 109.300 107.856 1.444 18255
6156 1 14 . 1 1 89 89 GLY C C 89 173.800 173.800 174.547 -0.747 18255
6157 1 14 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.548 0.652 18255
6158 1 14 . 1 1 89 89 GLY H H 89 8.500 8.500 8.108 0.392 18255
6159 1 14 . 1 1 90 90 ILE N N 90 119.600 119.600 117.284 2.316 18255
6160 1 14 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.303 -0.223 18255
6161 1 14 . 1 1 90 90 ILE C C 90 175.400 175.400 174.611 0.789 18255
6162 1 14 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.125 -0.125 18255
6163 1 14 . 1 1 90 90 ILE CB C 90 38.900 38.900 36.096 2.804 18255
6164 1 14 . 1 1 90 90 ILE H H 90 7.910 7.910 7.749 0.161 18255
6165 1 14 . 1 1 91 91 ASP N N 91 123.400 123.400 126.167 -2.767 18255
6166 1 14 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.614 -0.044 18255
6167 1 14 . 1 1 91 91 ASP C C 91 175.700 175.700 174.615 1.085 18255
6168 1 14 . 1 1 91 91 ASP CA C 91 53.900 53.900 52.964 0.936 18255
6169 1 14 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.402 -2.302 18255
6170 1 14 . 1 1 91 91 ASP H H 91 8.350 8.350 7.732 0.618 18255
6171 1 14 . 1 1 92 92 TYR N N 92 120.800 120.800 117.896 2.904 18255
6172 1 14 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.551 -0.091 18255
6173 1 14 . 1 1 92 92 TYR C C 92 175.200 175.200 174.748 0.452 18255
6174 1 14 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.092 0.908 18255
6175 1 14 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.815 -0.215 18255
6176 1 14 . 1 1 92 92 TYR H H 92 8.050 8.050 7.695 0.355 18255
6177 1 14 . 1 1 93 93 ALA N N 93 124.700 124.700 121.893 2.807 18255
6178 1 14 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.626 -0.326 18255
6179 1 14 . 1 1 93 93 ALA C C 93 177.100 177.100 175.844 1.256 18255
6180 1 14 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.069 2.331 18255
6181 1 14 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.587 -1.287 18255
6182 1 14 . 1 1 93 93 ALA H H 93 8.170 8.170 9.042 -0.872 18255
6183 1 14 . 1 1 94 94 VAL N N 94 119.400 119.400 120.549 -1.149 18255
6184 1 14 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.091 -0.041 18255
6185 1 14 . 1 1 94 94 VAL C C 94 175.100 175.100 174.852 0.248 18255
6186 1 14 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.881 0.519 18255
6187 1 14 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.672 0.627 18255
6188 1 14 . 1 1 94 94 VAL H H 94 8.000 8.000 8.416 -0.416 18255
6189 1 15 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.035 -0.075 18255
6190 1 15 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.883 -1.183 18255
6191 1 15 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.087 1.613 18255
6192 1 15 . 1 1 8 8 HIS C C 8 175.200 175.200 173.858 1.342 18255
6193 1 15 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.461 1.139 18255
6194 1 15 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.684 0.116 18255
6195 1 15 . 1 1 9 9 MET N N 9 121.800 121.800 119.593 2.207 18255
6196 1 15 . 1 1 9 9 MET C C 9 176.400 176.400 175.502 0.898 18255
6197 1 15 . 1 1 9 9 MET CA C 9 55.800 55.800 54.559 1.241 18255
6198 1 15 . 1 1 9 9 MET CB C 9 32.800 32.800 34.833 -2.033 18255
6199 1 15 . 1 1 9 9 MET H H 9 8.470 8.470 8.510 -0.040 18255
6200 1 15 . 1 1 10 10 GLY N N 10 109.800 109.800 110.423 -0.623 18255
6201 1 15 . 1 1 10 10 GLY C C 10 174.100 174.100 175.002 -0.902 18255
6202 1 15 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.106 0.194 18255
6203 1 15 . 1 1 10 10 GLY H H 10 8.490 8.490 8.656 -0.166 18255
6204 1 15 . 1 1 11 11 THR N N 11 113.600 113.600 116.241 -2.641 18255
6205 1 15 . 1 1 11 11 THR HA H 11 3.710 3.710 4.085 -0.375 18255
6206 1 15 . 1 1 11 11 THR C C 11 174.600 174.600 174.862 -0.262 18255
6207 1 15 . 1 1 11 11 THR CA C 11 62.400 62.400 62.622 -0.222 18255
6208 1 15 . 1 1 11 11 THR CB C 11 70.100 70.100 69.011 1.089 18255
6209 1 15 . 1 1 11 11 THR H H 11 8.100 8.100 8.171 -0.071 18255
6210 1 15 . 1 1 12 12 LEU N N 12 123.900 123.900 124.357 -0.457 18255
6211 1 15 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.233 0.067 18255
6212 1 15 . 1 1 12 12 LEU C C 12 177.400 177.400 177.322 0.078 18255
6213 1 15 . 1 1 12 12 LEU CA C 12 55.600 55.600 56.787 -1.187 18255
6214 1 15 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.114 -0.014 18255
6215 1 15 . 1 1 12 12 LEU H H 12 8.350 8.350 8.417 -0.067 18255
6216 1 15 . 1 1 13 13 GLU N N 13 121.300 121.300 118.534 2.766 18255
6217 1 15 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.423 -0.233 18255
6218 1 15 . 1 1 13 13 GLU C C 13 176.200 176.200 175.184 1.016 18255
6219 1 15 . 1 1 13 13 GLU CA C 13 56.900 56.900 54.646 2.254 18255
6220 1 15 . 1 1 13 13 GLU CB C 13 30.000 30.000 27.163 2.837 18255
6221 1 15 . 1 1 13 13 GLU H H 13 8.420 8.420 7.975 0.445 18255
6222 1 15 . 1 1 14 14 ALA N N 14 124.100 124.100 126.998 -2.898 18255
6223 1 15 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.147 0.113 18255
6224 1 15 . 1 1 14 14 ALA C C 14 177.700 177.700 177.632 0.068 18255
6225 1 15 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.788 -0.088 18255
6226 1 15 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.767 0.333 18255
6227 1 15 . 1 1 14 14 ALA H H 14 8.260 8.260 8.031 0.229 18255
6228 1 15 . 1 1 15 15 GLN N N 15 119.100 119.100 120.873 -1.773 18255
6229 1 15 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.080 0.280 18255
6230 1 15 . 1 1 15 15 GLN C C 15 176.200 176.200 174.886 1.314 18255
6231 1 15 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.929 -0.029 18255
6232 1 15 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.013 1.287 18255
6233 1 15 . 1 1 15 15 GLN H H 15 8.340 8.340 8.600 -0.260 18255
6234 1 15 . 1 1 16 16 THR N N 16 114.600 114.600 117.031 -2.431 18255
6235 1 15 . 1 1 16 16 THR HA H 16 4.320 4.320 4.496 -0.176 18255
6236 1 15 . 1 1 16 16 THR C C 16 174.300 174.300 174.938 -0.638 18255
6237 1 15 . 1 1 16 16 THR CA C 16 61.900 61.900 62.161 -0.261 18255
6238 1 15 . 1 1 16 16 THR CB C 16 69.700 69.700 68.466 1.234 18255
6239 1 15 . 1 1 16 16 THR H H 16 8.160 8.160 8.298 -0.138 18255
6240 1 15 . 1 1 17 17 GLN N N 17 122.200 122.200 125.693 -3.493 18255
6241 1 15 . 1 1 17 17 GLN C C 17 175.800 175.800 175.908 -0.108 18255
6242 1 15 . 1 1 17 17 GLN CA C 17 55.900 55.900 54.824 1.076 18255
6243 1 15 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.720 -0.120 18255
6244 1 15 . 1 1 17 17 GLN H H 17 8.410 8.410 8.004 0.406 18255
6245 1 15 . 1 1 18 18 GLY N N 18 110.100 110.100 110.704 -0.604 18255
6246 1 15 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.928 0.672 18255
6247 1 15 . 1 1 18 18 GLY H H 18 8.340 8.340 7.925 0.415 18255
6248 1 15 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.314 0.116 18255
6249 1 15 . 1 1 19 19 PRO C C 19 177.500 177.500 176.007 1.493 18255
6250 1 15 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.991 -0.491 18255
6251 1 15 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.767 0.333 18255
6252 1 15 . 1 1 20 20 GLY N N 20 109.600 109.600 111.039 -1.439 18255
6253 1 15 . 1 1 20 20 GLY C C 20 174.000 174.000 172.444 1.556 18255
6254 1 15 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.876 0.324 18255
6255 1 15 . 1 1 20 20 GLY H H 20 8.620 8.620 7.792 0.828 18255
6256 1 15 . 1 1 21 21 SER N N 21 115.300 115.300 115.729 -0.429 18255
6257 1 15 . 1 1 21 21 SER HA H 21 4.460 4.460 4.616 -0.156 18255
6258 1 15 . 1 1 21 21 SER C C 21 174.700 174.700 173.625 1.075 18255
6259 1 15 . 1 1 21 21 SER CA C 21 58.400 58.400 57.835 0.565 18255
6260 1 15 . 1 1 21 21 SER CB C 21 64.000 64.000 66.102 -2.102 18255
6261 1 15 . 1 1 21 21 SER H H 21 8.240 8.240 8.224 0.016 18255
6262 1 15 . 1 1 22 22 MET N N 22 122.000 122.000 122.396 -0.396 18255
6263 1 15 . 1 1 22 22 MET HA H 22 4.530 4.530 4.467 0.063 18255
6264 1 15 . 1 1 22 22 MET C C 22 176.000 176.000 175.364 0.636 18255
6265 1 15 . 1 1 22 22 MET CA C 22 55.700 55.700 55.809 -0.110 18255
6266 1 15 . 1 1 22 22 MET CB C 22 32.600 32.600 32.389 0.211 18255
6267 1 15 . 1 1 22 22 MET H H 22 8.570 8.570 8.680 -0.110 18255
6268 1 15 . 1 1 23 23 ASP N N 23 120.600 120.600 125.472 -4.872 18255
6269 1 15 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.703 -0.073 18255
6270 1 15 . 1 1 23 23 ASP C C 23 175.700 175.700 175.089 0.611 18255
6271 1 15 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.324 0.476 18255
6272 1 15 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.436 -1.436 18255
6273 1 15 . 1 1 23 23 ASP H H 23 8.330 8.330 8.152 0.177 18255
6274 1 15 . 1 1 24 24 ASP N N 24 119.800 119.800 122.901 -3.101 18255
6275 1 15 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.193 0.467 18255
6276 1 15 . 1 1 24 24 ASP C C 24 175.800 175.800 175.557 0.243 18255
6277 1 15 . 1 1 24 24 ASP CA C 24 54.100 54.100 56.240 -2.140 18255
6278 1 15 . 1 1 24 24 ASP CB C 24 41.300 41.300 40.903 0.397 18255
6279 1 15 . 1 1 24 24 ASP H H 24 8.250 8.250 8.479 -0.229 18255
6280 1 15 . 1 1 25 25 GLU N N 25 120.600 120.600 120.994 -0.394 18255
6281 1 15 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.364 -0.144 18255
6282 1 15 . 1 1 25 25 GLU C C 25 175.200 175.200 175.439 -0.239 18255
6283 1 15 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.011 0.389 18255
6284 1 15 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.204 0.296 18255
6285 1 15 . 1 1 25 25 GLU H H 25 8.190 8.190 8.293 -0.103 18255
6286 1 15 . 1 1 26 26 LEU N N 26 121.500 121.500 123.118 -1.618 18255
6287 1 15 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.597 -0.057 18255
6288 1 15 . 1 1 26 26 LEU C C 26 175.200 175.200 175.494 -0.294 18255
6289 1 15 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.475 -0.475 18255
6290 1 15 . 1 1 26 26 LEU CB C 26 43.700 43.700 44.616 -0.916 18255
6291 1 15 . 1 1 26 26 LEU H H 26 8.270 8.270 8.349 -0.079 18255
6292 1 15 . 1 1 27 27 TYR N N 27 119.400 119.400 119.691 -0.291 18255
6293 1 15 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.168 -0.198 18255
6294 1 15 . 1 1 27 27 TYR C C 27 173.100 173.100 174.844 -1.744 18255
6295 1 15 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.490 0.210 18255
6296 1 15 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.308 1.592 18255
6297 1 15 . 1 1 27 27 TYR H H 27 9.250 9.250 9.069 0.181 18255
6298 1 15 . 1 1 28 28 PHE N N 28 114.700 114.700 118.940 -4.240 18255
6299 1 15 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.803 0.267 18255
6300 1 15 . 1 1 28 28 PHE C C 28 178.100 178.100 174.807 3.293 18255
6301 1 15 . 1 1 28 28 PHE CA C 28 57.100 57.100 57.149 -0.049 18255
6302 1 15 . 1 1 28 28 PHE CB C 28 42.500 42.500 42.643 -0.143 18255
6303 1 15 . 1 1 28 28 PHE H H 28 9.510 9.510 9.393 0.117 18255
6304 1 15 . 1 1 29 29 VAL N N 29 121.100 121.100 121.898 -0.798 18255
6305 1 15 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.841 -0.361 18255
6306 1 15 . 1 1 29 29 VAL C C 29 175.200 175.200 175.249 -0.049 18255
6307 1 15 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.768 2.232 18255
6308 1 15 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.377 0.523 18255
6309 1 15 . 1 1 29 29 VAL H H 29 9.110 9.110 8.719 0.391 18255
6310 1 15 . 1 1 30 30 VAL N N 30 119.800 119.800 122.440 -2.640 18255
6311 1 15 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.618 -0.068 18255
6312 1 15 . 1 1 30 30 VAL C C 30 173.800 173.800 174.499 -0.699 18255
6313 1 15 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.102 -1.102 18255
6314 1 15 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.005 0.094 18255
6315 1 15 . 1 1 30 30 VAL H H 30 8.890 8.890 9.208 -0.318 18255
6316 1 15 . 1 1 31 31 ARG N N 31 119.700 119.700 117.265 2.435 18255
6317 1 15 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.590 0.600 18255
6318 1 15 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.437 -1.937 18255
6319 1 15 . 1 1 31 31 ARG CB C 31 34.100 34.100 32.742 1.358 18255
6320 1 15 . 1 1 31 31 ARG H H 31 8.980 8.980 9.093 -0.113 18255
6321 1 15 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.911 -0.671 18255
6322 1 15 . 1 1 32 32 ASN C C 32 176.600 176.600 174.837 1.763 18255
6323 1 15 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.070 -2.370 18255
6324 1 15 . 1 1 32 32 ASN CB C 32 36.700 36.700 41.227 -4.527 18255
6325 1 15 . 1 1 33 33 ASN N N 33 114.800 114.800 118.178 -3.378 18255
6326 1 15 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.302 -0.012 18255
6327 1 15 . 1 1 33 33 ASN C C 33 175.600 175.600 175.026 0.574 18255
6328 1 15 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.289 0.211 18255
6329 1 15 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.703 0.097 18255
6330 1 15 . 1 1 33 33 ASN H H 33 7.760 7.760 8.768 -1.008 18255
6331 1 15 . 1 1 34 34 GLU N N 34 116.900 116.900 117.255 -0.355 18255
6332 1 15 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.427 -0.117 18255
6333 1 15 . 1 1 34 34 GLU C C 34 176.200 176.200 177.373 -1.173 18255
6334 1 15 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.536 -0.636 18255
6335 1 15 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.131 -0.631 18255
6336 1 15 . 1 1 34 34 GLU H H 34 7.340 7.340 7.895 -0.555 18255
6337 1 15 . 1 1 35 35 GLY N N 35 107.000 107.000 107.474 -0.474 18255
6338 1 15 . 1 1 35 35 GLY C C 35 173.400 173.400 174.200 -0.800 18255
6339 1 15 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.344 0.056 18255
6340 1 15 . 1 1 35 35 GLY H H 35 7.720 7.720 8.589 -0.869 18255
6341 1 15 . 1 1 36 36 GLN N N 36 117.700 117.700 118.700 -1.000 18255
6342 1 15 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.152 0.128 18255
6343 1 15 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.912 -0.412 18255
6344 1 15 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.333 -0.833 18255
6345 1 15 . 1 1 36 36 GLN H H 36 7.570 7.570 7.710 -0.140 18255
6346 1 15 . 1 1 37 37 TYR C C 37 176.300 176.300 174.758 1.542 18255
6347 1 15 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.202 0.298 18255
6348 1 15 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.556 2.244 18255
6349 1 15 . 1 1 38 38 SER N N 38 114.700 114.700 115.978 -1.278 18255
6350 1 15 . 1 1 38 38 SER HA H 38 5.770 5.770 5.083 0.687 18255
6351 1 15 . 1 1 38 38 SER C C 38 173.100 173.100 172.725 0.375 18255
6352 1 15 . 1 1 38 38 SER CA C 38 57.300 57.300 56.433 0.867 18255
6353 1 15 . 1 1 38 38 SER CB C 38 64.400 64.400 65.712 -1.312 18255
6354 1 15 . 1 1 38 38 SER H H 38 9.230 9.230 9.112 0.118 18255
6355 1 15 . 1 1 39 39 VAL N N 39 114.000 114.000 116.188 -2.188 18255
6356 1 15 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.401 0.299 18255
6357 1 15 . 1 1 39 39 VAL C C 39 175.200 175.200 174.273 0.927 18255
6358 1 15 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.430 -0.530 18255
6359 1 15 . 1 1 39 39 VAL CB C 39 34.800 34.800 34.929 -0.129 18255
6360 1 15 . 1 1 39 39 VAL H H 39 8.430 8.430 8.515 -0.085 18255
6361 1 15 . 1 1 40 40 TRP N N 40 126.600 126.600 126.095 0.505 18255
6362 1 15 . 1 1 40 40 TRP C C 40 174.000 174.000 173.938 0.062 18255
6363 1 15 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.271 0.229 18255
6364 1 15 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.909 1.791 18255
6365 1 15 . 1 1 40 40 TRP H H 40 9.590 9.590 9.300 0.290 18255
6366 1 15 . 1 1 41 41 MET N N 41 127.700 127.700 124.818 2.882 18255
6367 1 15 . 1 1 41 41 MET HA H 41 3.470 3.470 3.620 -0.150 18255
6368 1 15 . 1 1 41 41 MET C C 41 175.000 175.000 174.753 0.247 18255
6369 1 15 . 1 1 41 41 MET CA C 41 56.900 56.900 55.550 1.350 18255
6370 1 15 . 1 1 41 41 MET CB C 41 33.800 33.800 33.340 0.460 18255
6371 1 15 . 1 1 41 41 MET H H 41 7.860 7.860 7.797 0.063 18255
6372 1 15 . 1 1 42 42 ASP N N 42 123.400 123.400 125.839 -2.439 18255
6373 1 15 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.727 -0.207 18255
6374 1 15 . 1 1 42 42 ASP C C 42 176.800 176.800 177.059 -0.259 18255
6375 1 15 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.597 -0.097 18255
6376 1 15 . 1 1 42 42 ASP CB C 42 41.500 41.500 42.079 -0.579 18255
6377 1 15 . 1 1 42 42 ASP H H 42 8.290 8.290 8.301 -0.011 18255
6378 1 15 . 1 1 43 43 GLY N N 43 113.300 113.300 111.318 1.982 18255
6379 1 15 . 1 1 43 43 GLY C C 43 174.000 174.000 173.925 0.075 18255
6380 1 15 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.104 0.196 18255
6381 1 15 . 1 1 43 43 GLY H H 43 8.350 8.350 8.599 -0.249 18255
6382 1 15 . 1 1 44 44 ARG N N 44 119.600 119.600 121.909 -2.309 18255
6383 1 15 . 1 1 44 44 ARG C C 44 176.600 176.600 175.412 1.188 18255
6384 1 15 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.872 -0.072 18255
6385 1 15 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.632 -0.132 18255
6386 1 15 . 1 1 44 44 ARG H H 44 7.560 7.560 7.787 -0.227 18255
6387 1 15 . 1 1 45 45 SER N N 45 121.000 121.000 122.305 -1.305 18255
6388 1 15 . 1 1 45 45 SER HA H 45 4.310 4.310 4.354 -0.044 18255
6389 1 15 . 1 1 45 45 SER C C 45 174.300 174.300 174.470 -0.170 18255
6390 1 15 . 1 1 45 45 SER CA C 45 59.400 59.400 59.343 0.057 18255
6391 1 15 . 1 1 45 45 SER CB C 45 63.200 63.200 63.527 -0.327 18255
6392 1 15 . 1 1 45 45 SER H H 45 8.830 8.830 8.813 0.017 18255
6393 1 15 . 1 1 46 46 LEU N N 46 127.900 127.900 127.361 0.539 18255
6394 1 15 . 1 1 46 46 LEU HA H 46 3.850 3.850 3.979 -0.129 18255
6395 1 15 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.167 0.833 18255
6396 1 15 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.031 0.170 18255
6397 1 15 . 1 1 46 46 LEU H H 46 8.610 8.610 7.981 0.629 18255
6398 1 15 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.273 -0.093 18255
6399 1 15 . 1 1 47 47 PRO C C 47 175.700 175.700 176.102 -0.402 18255
6400 1 15 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.775 -0.975 18255
6401 1 15 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.139 -1.039 18255
6402 1 15 . 1 1 48 48 ALA N N 48 123.600 123.600 125.880 -2.280 18255
6403 1 15 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.172 -0.072 18255
6404 1 15 . 1 1 48 48 ALA C C 48 178.800 178.800 178.413 0.387 18255
6405 1 15 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.975 -0.475 18255
6406 1 15 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.028 -0.828 18255
6407 1 15 . 1 1 48 48 ALA H H 48 8.260 8.260 8.217 0.043 18255
6408 1 15 . 1 1 49 49 GLY N N 49 110.200 110.200 111.678 -1.478 18255
6409 1 15 . 1 1 49 49 GLY C C 49 173.800 173.800 174.320 -0.520 18255
6410 1 15 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.487 0.613 18255
6411 1 15 . 1 1 49 49 GLY H H 49 8.720 8.720 8.367 0.353 18255
6412 1 15 . 1 1 50 50 TRP N N 50 119.900 119.900 121.878 -1.978 18255
6413 1 15 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.609 0.061 18255
6414 1 15 . 1 1 50 50 TRP C C 50 174.900 174.900 176.009 -1.109 18255
6415 1 15 . 1 1 50 50 TRP CA C 50 56.200 56.200 58.030 -1.830 18255
6416 1 15 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.241 0.160 18255
6417 1 15 . 1 1 50 50 TRP H H 50 7.640 7.640 8.004 -0.364 18255
6418 1 15 . 1 1 51 51 GLU N N 51 118.200 118.200 119.685 -1.485 18255
6419 1 15 . 1 1 51 51 GLU C C 51 175.400 175.400 175.262 0.138 18255
6420 1 15 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.691 -0.391 18255
6421 1 15 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.850 0.750 18255
6422 1 15 . 1 1 51 51 GLU H H 51 8.650 8.650 9.194 -0.544 18255
6423 1 15 . 1 1 52 52 THR N N 52 112.200 112.200 113.257 -1.057 18255
6424 1 15 . 1 1 52 52 THR C C 52 174.800 174.800 173.841 0.959 18255
6425 1 15 . 1 1 52 52 THR CA C 52 62.000 62.000 59.953 2.047 18255
6426 1 15 . 1 1 52 52 THR CB C 52 70.000 70.000 70.423 -0.423 18255
6427 1 15 . 1 1 52 52 THR H H 52 8.450 8.450 8.444 0.006 18255
6428 1 15 . 1 1 53 53 VAL N N 53 122.300 122.300 121.174 1.126 18255
6429 1 15 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.363 -0.093 18255
6430 1 15 . 1 1 53 53 VAL C C 53 176.200 176.200 174.545 1.655 18255
6431 1 15 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.167 0.133 18255
6432 1 15 . 1 1 53 53 VAL CB C 53 33.000 33.000 36.238 -3.238 18255
6433 1 15 . 1 1 53 53 VAL H H 53 8.800 8.800 8.783 0.017 18255
6434 1 15 . 1 1 54 54 GLY N N 54 115.400 115.400 111.777 3.623 18255
6435 1 15 . 1 1 54 54 GLY C C 54 173.100 173.100 173.382 -0.282 18255
6436 1 15 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.865 0.035 18255
6437 1 15 . 1 1 54 54 GLY H H 54 8.830 8.830 8.371 0.459 18255
6438 1 15 . 1 1 55 55 GLU N N 55 119.000 119.000 118.714 0.286 18255
6439 1 15 . 1 1 55 55 GLU HA H 55 4.720 4.720 5.015 -0.295 18255
6440 1 15 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.339 -0.739 18255
6441 1 15 . 1 1 55 55 GLU H H 55 8.390 8.390 8.411 -0.021 18255
6442 1 15 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.201 0.219 18255
6443 1 15 . 1 1 56 56 PRO C C 56 176.200 176.200 175.711 0.489 18255
6444 1 15 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.389 0.511 18255
6445 1 15 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.948 0.551 18255
6446 1 15 . 1 1 57 57 ALA N N 57 124.300 124.300 126.204 -1.904 18255
6447 1 15 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.573 0.057 18255
6448 1 15 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.565 0.735 18255
6449 1 15 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.525 -0.325 18255
6450 1 15 . 1 1 57 57 ALA H H 57 9.580 9.580 8.573 1.007 18255
6451 1 15 . 1 1 58 58 THR N N 58 108.700 108.700 115.097 -6.397 18255
6452 1 15 . 1 1 58 58 THR C C 58 175.700 175.700 176.145 -0.445 18255
6453 1 15 . 1 1 58 58 THR CA C 58 62.200 62.200 62.316 -0.116 18255
6454 1 15 . 1 1 58 58 THR CB C 58 70.600 70.600 69.907 0.693 18255
6455 1 15 . 1 1 58 58 THR H H 58 8.070 8.070 8.445 -0.375 18255
6456 1 15 . 1 1 59 59 LYS N N 59 123.400 123.400 126.019 -2.619 18255
6457 1 15 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.117 0.053 18255
6458 1 15 . 1 1 59 59 LYS C C 59 178.100 178.100 178.231 -0.131 18255
6459 1 15 . 1 1 59 59 LYS CA C 59 61.300 61.300 60.256 1.044 18255
6460 1 15 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.850 -0.150 18255
6461 1 15 . 1 1 59 59 LYS H H 59 9.420 9.420 8.532 0.888 18255
6462 1 15 . 1 1 60 60 GLN N N 60 114.800 114.800 117.756 -2.956 18255
6463 1 15 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.909 -0.039 18255
6464 1 15 . 1 1 60 60 GLN C C 60 178.600 178.600 178.470 0.130 18255
6465 1 15 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.022 0.178 18255
6466 1 15 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.234 -0.134 18255
6467 1 15 . 1 1 60 60 GLN H H 60 8.610 8.610 8.326 0.284 18255
6468 1 15 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.043 -0.013 18255
6469 1 15 . 1 1 61 61 GLN C C 61 179.700 179.700 178.372 1.328 18255
6470 1 15 . 1 1 61 61 GLN CA C 61 58.900 58.900 57.990 0.910 18255
6471 1 15 . 1 1 61 61 GLN CB C 61 28.700 28.700 27.986 0.714 18255
6472 1 15 . 1 1 61 61 GLN H H 61 7.690 7.690 7.824 -0.134 18255
6473 1 15 . 1 1 62 62 CYS N N 62 118.800 118.800 119.905 -1.105 18255
6474 1 15 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.046 -0.156 18255
6475 1 15 . 1 1 62 62 CYS C C 62 176.400 176.400 176.976 -0.576 18255
6476 1 15 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.271 1.529 18255
6477 1 15 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.703 -0.503 18255
6478 1 15 . 1 1 62 62 CYS H H 62 8.460 8.460 8.367 0.093 18255
6479 1 15 . 1 1 63 63 LEU N N 63 119.200 119.200 118.988 0.212 18255
6480 1 15 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.003 -0.113 18255
6481 1 15 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.865 0.235 18255
6482 1 15 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.846 0.054 18255
6483 1 15 . 1 1 63 63 LEU H H 63 8.350 8.350 8.098 0.252 18255
6484 1 15 . 1 1 64 64 GLN N N 64 119.000 119.000 120.272 -1.272 18255
6485 1 15 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.146 -0.116 18255
6486 1 15 . 1 1 64 64 GLN C C 64 178.400 178.400 178.275 0.125 18255
6487 1 15 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.709 -0.109 18255
6488 1 15 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.468 -0.168 18255
6489 1 15 . 1 1 64 64 GLN H H 64 7.910 7.910 8.283 -0.373 18255
6490 1 15 . 1 1 65 65 ARG N N 65 120.000 120.000 119.219 0.781 18255
6491 1 15 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.077 -0.077 18255
6492 1 15 . 1 1 65 65 ARG CA C 65 59.300 59.300 58.737 0.563 18255
6493 1 15 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.111 -0.211 18255
6494 1 15 . 1 1 65 65 ARG H H 65 7.940 7.940 7.854 0.086 18255
6495 1 15 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.869 -0.499 18255
6496 1 15 . 1 1 66 66 ILE C C 66 176.700 176.700 177.325 -0.625 18255
6497 1 15 . 1 1 66 66 ILE CA C 66 65.500 65.500 63.644 1.856 18255
6498 1 15 . 1 1 66 66 ILE CB C 66 37.900 37.900 38.250 -0.350 18255
6499 1 15 . 1 1 67 67 GLU N N 67 118.400 118.400 121.745 -3.345 18255
6500 1 15 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.003 -0.053 18255
6501 1 15 . 1 1 67 67 GLU C C 67 178.600 178.600 178.668 -0.068 18255
6502 1 15 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.681 0.619 18255
6503 1 15 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.103 0.197 18255
6504 1 15 . 1 1 67 67 GLU H H 67 7.600 7.600 8.236 -0.636 18255
6505 1 15 . 1 1 68 68 GLN N N 68 116.400 116.400 117.124 -0.724 18255
6506 1 15 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.380 -0.260 18255
6507 1 15 . 1 1 68 68 GLN C C 68 177.400 177.400 177.275 0.125 18255
6508 1 15 . 1 1 68 68 GLN CA C 68 57.600 57.600 57.164 0.436 18255
6509 1 15 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.731 -0.131 18255
6510 1 15 . 1 1 68 68 GLN H H 68 7.620 7.620 7.570 0.050 18255
6511 1 15 . 1 1 69 69 LEU N N 69 120.000 120.000 118.660 1.340 18255
6512 1 15 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.457 -0.367 18255
6513 1 15 . 1 1 69 69 LEU C C 69 176.600 176.600 178.239 -1.639 18255
6514 1 15 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.524 0.276 18255
6515 1 15 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.711 -0.811 18255
6516 1 15 . 1 1 69 69 LEU H H 69 7.900 7.900 7.633 0.267 18255
6517 1 15 . 1 1 70 70 TRP N N 70 119.200 119.200 118.045 1.155 18255
6518 1 15 . 1 1 70 70 TRP C C 70 177.100 177.100 178.801 -1.701 18255
6519 1 15 . 1 1 70 70 TRP CA C 70 58.000 58.000 58.780 -0.780 18255
6520 1 15 . 1 1 70 70 TRP CB C 70 29.300 29.300 29.876 -0.576 18255
6521 1 15 . 1 1 70 70 TRP H H 70 8.120 8.120 7.797 0.323 18255
6522 1 15 . 1 1 71 71 THR N N 71 114.500 114.500 110.816 3.684 18255
6523 1 15 . 1 1 71 71 THR HA H 71 4.160 4.160 4.192 -0.032 18255
6524 1 15 . 1 1 71 71 THR C C 71 174.700 174.700 175.462 -0.762 18255
6525 1 15 . 1 1 71 71 THR CA C 71 63.700 63.700 63.456 0.244 18255
6526 1 15 . 1 1 71 71 THR CB C 71 69.500 69.500 68.363 1.137 18255
6527 1 15 . 1 1 71 71 THR H H 71 7.960 7.960 8.133 -0.173 18255
6528 1 15 . 1 1 72 72 ASP N N 72 120.700 120.700 122.650 -1.950 18255
6529 1 15 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.368 0.192 18255
6530 1 15 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.613 -1.613 18255
6531 1 15 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.924 -0.124 18255
6532 1 15 . 1 1 72 72 ASP H H 72 8.140 8.140 8.083 0.057 18255
6533 1 15 . 1 1 74 74 VAL N N 74 121.700 121.700 124.992 -3.292 18255
6534 1 15 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.383 -0.043 18255
6535 1 15 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.252 0.848 18255
6536 1 15 . 1 1 74 74 VAL CB C 74 32.500 32.500 32.798 -0.298 18255
6537 1 15 . 1 1 74 74 VAL H H 74 7.950 7.950 8.287 -0.337 18255
6538 1 15 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.543 -0.163 18255
6539 1 15 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.535 0.765 18255
6540 1 15 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.351 -0.151 18255
6541 1 15 . 1 1 76 76 ALA N N 76 124.200 124.200 120.800 3.400 18255
6542 1 15 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.035 0.105 18255
6543 1 15 . 1 1 76 76 ALA C C 76 178.400 178.400 179.382 -0.982 18255
6544 1 15 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.559 -0.759 18255
6545 1 15 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.316 0.384 18255
6546 1 15 . 1 1 76 76 ALA H H 76 8.600 8.600 8.473 0.127 18255
6547 1 15 . 1 1 77 77 SER N N 77 112.900 112.900 114.166 -1.266 18255
6548 1 15 . 1 1 77 77 SER HA H 77 4.340 4.340 4.045 0.295 18255
6549 1 15 . 1 1 77 77 SER C C 77 175.200 175.200 176.169 -0.969 18255
6550 1 15 . 1 1 77 77 SER CA C 77 59.200 59.200 61.419 -2.219 18255
6551 1 15 . 1 1 77 77 SER CB C 77 63.200 63.200 62.570 0.630 18255
6552 1 15 . 1 1 77 77 SER H H 77 8.310 8.310 7.950 0.360 18255
6553 1 15 . 1 1 78 78 VAL N N 78 121.700 121.700 121.150 0.550 18255
6554 1 15 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.889 0.131 18255
6555 1 15 . 1 1 78 78 VAL C C 78 176.600 176.600 176.870 -0.270 18255
6556 1 15 . 1 1 78 78 VAL CA C 78 63.400 63.400 64.966 -1.566 18255
6557 1 15 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.576 0.724 18255
6558 1 15 . 1 1 78 78 VAL H H 78 7.810 7.810 7.841 -0.031 18255
6559 1 15 . 1 1 79 79 ARG N N 79 121.900 121.900 118.173 3.727 18255
6560 1 15 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.260 -0.100 18255
6561 1 15 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.157 -0.857 18255
6562 1 15 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.941 0.559 18255
6563 1 15 . 1 1 79 79 ARG H H 79 8.100 8.100 7.890 0.210 18255
6564 1 15 . 1 1 80 80 GLU N N 80 119.600 119.600 119.540 0.060 18255
6565 1 15 . 1 1 80 80 GLU CB C 80 30.000 30.000 28.653 1.347 18255
6566 1 15 . 1 1 80 80 GLU H H 80 8.260 8.260 8.122 0.138 18255
6567 1 15 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.713 -0.163 18255
6568 1 15 . 1 1 81 81 HIS C C 81 175.600 175.600 176.343 -0.743 18255
6569 1 15 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.591 -2.391 18255
6570 1 15 . 1 1 81 81 HIS CB C 81 30.400 30.400 29.942 0.458 18255
6571 1 15 . 1 1 82 82 LEU N N 82 121.500 121.500 117.042 4.458 18255
6572 1 15 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.471 -0.211 18255
6573 1 15 . 1 1 82 82 LEU C C 82 177.200 177.200 176.048 1.152 18255
6574 1 15 . 1 1 82 82 LEU CA C 82 55.600 55.600 53.877 1.723 18255
6575 1 15 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.250 -0.150 18255
6576 1 15 . 1 1 82 82 LEU H H 82 8.120 8.120 7.710 0.410 18255
6577 1 15 . 1 1 83 83 ASN N N 83 118.300 118.300 119.733 -1.433 18255
6578 1 15 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.884 -0.244 18255
6579 1 15 . 1 1 83 83 ASN CA C 83 53.500 53.500 51.789 1.711 18255
6580 1 15 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.190 0.410 18255
6581 1 15 . 1 1 83 83 ASN H H 83 8.400 8.400 7.631 0.769 18255
6582 1 15 . 1 1 85 85 HIS C C 85 174.900 174.900 173.927 0.973 18255
6583 1 15 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.927 1.373 18255
6584 1 15 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.675 -0.075 18255
6585 1 15 . 1 1 86 86 SER N N 86 116.700 116.700 120.374 -3.674 18255
6586 1 15 . 1 1 86 86 SER C C 86 174.100 174.100 174.759 -0.659 18255
6587 1 15 . 1 1 86 86 SER CA C 86 58.400 58.400 58.782 -0.382 18255
6588 1 15 . 1 1 86 86 SER CB C 86 64.300 64.300 62.582 1.718 18255
6589 1 15 . 1 1 86 86 SER H H 86 8.220 8.220 8.720 -0.500 18255
6590 1 15 . 1 1 87 87 GLY N N 87 110.400 110.400 113.592 -3.192 18255
6591 1 15 . 1 1 87 87 GLY CA C 87 44.500 44.500 42.798 1.702 18255
6592 1 15 . 1 1 87 87 GLY H H 87 8.310 8.310 7.590 0.720 18255
6593 1 15 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.167 0.203 18255
6594 1 15 . 1 1 88 88 PRO C C 88 177.400 177.400 176.879 0.521 18255
6595 1 15 . 1 1 88 88 PRO CA C 88 63.200 63.200 64.324 -1.124 18255
6596 1 15 . 1 1 88 88 PRO CB C 88 32.000 32.000 31.358 0.642 18255
6597 1 15 . 1 1 89 89 GLY N N 89 109.300 109.300 110.935 -1.635 18255
6598 1 15 . 1 1 89 89 GLY C C 89 173.800 173.800 174.017 -0.217 18255
6599 1 15 . 1 1 89 89 GLY CA C 89 45.200 45.200 45.039 0.161 18255
6600 1 15 . 1 1 89 89 GLY H H 89 8.500 8.500 8.259 0.241 18255
6601 1 15 . 1 1 90 90 ILE N N 90 119.600 119.600 121.670 -2.070 18255
6602 1 15 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.652 0.428 18255
6603 1 15 . 1 1 90 90 ILE C C 90 175.400 175.400 173.605 1.795 18255
6604 1 15 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.535 -0.535 18255
6605 1 15 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.247 1.653 18255
6606 1 15 . 1 1 90 90 ILE H H 90 7.910 7.910 7.894 0.016 18255
6607 1 15 . 1 1 91 91 ASP N N 91 123.400 123.400 122.863 0.537 18255
6608 1 15 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.812 -0.242 18255
6609 1 15 . 1 1 91 91 ASP C C 91 175.700 175.700 174.189 1.511 18255
6610 1 15 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.054 0.846 18255
6611 1 15 . 1 1 91 91 ASP CB C 91 41.100 41.100 42.358 -1.258 18255
6612 1 15 . 1 1 91 91 ASP H H 91 8.350 8.350 7.753 0.597 18255
6613 1 15 . 1 1 92 92 TYR N N 92 120.800 120.800 122.571 -1.771 18255
6614 1 15 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.773 -0.313 18255
6615 1 15 . 1 1 92 92 TYR C C 92 175.200 175.200 175.360 -0.160 18255
6616 1 15 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.123 0.877 18255
6617 1 15 . 1 1 92 92 TYR CB C 92 38.600 38.600 41.616 -3.016 18255
6618 1 15 . 1 1 92 92 TYR H H 92 8.050 8.050 8.253 -0.203 18255
6619 1 15 . 1 1 93 93 ALA N N 93 124.700 124.700 121.933 2.767 18255
6620 1 15 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.236 0.064 18255
6621 1 15 . 1 1 93 93 ALA C C 93 177.100 177.100 176.672 0.428 18255
6622 1 15 . 1 1 93 93 ALA CA C 93 52.400 52.400 52.284 0.116 18255
6623 1 15 . 1 1 93 93 ALA CB C 93 19.300 19.300 19.359 -0.059 18255
6624 1 15 . 1 1 93 93 ALA H H 93 8.170 8.170 8.374 -0.204 18255
6625 1 15 . 1 1 94 94 VAL N N 94 119.400 119.400 119.090 0.310 18255
6626 1 15 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.235 -0.185 18255
6627 1 15 . 1 1 94 94 VAL C C 94 175.100 175.100 175.428 -0.328 18255
6628 1 15 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.554 0.846 18255
6629 1 15 . 1 1 94 94 VAL CB C 94 32.300 32.300 33.972 -1.672 18255
6630 1 15 . 1 1 94 94 VAL H H 94 8.000 8.000 8.402 -0.402 18255
6631 1 16 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.478 -0.518 18255
6632 1 16 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.079 -0.379 18255
6633 1 16 . 1 1 2 2 ALA CB C 2 19.700 19.700 17.613 2.087 18255
6634 1 16 . 1 1 8 8 HIS C C 8 175.200 175.200 172.818 2.382 18255
6635 1 16 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.916 0.684 18255
6636 1 16 . 1 1 8 8 HIS CB C 8 30.800 30.800 32.260 -1.460 18255
6637 1 16 . 1 1 9 9 MET N N 9 121.800 121.800 119.163 2.637 18255
6638 1 16 . 1 1 9 9 MET C C 9 176.400 176.400 175.010 1.390 18255
6639 1 16 . 1 1 9 9 MET CA C 9 55.800 55.800 55.704 0.096 18255
6640 1 16 . 1 1 9 9 MET CB C 9 32.800 32.800 34.866 -2.066 18255
6641 1 16 . 1 1 9 9 MET H H 9 8.470 8.470 7.622 0.848 18255
6642 1 16 . 1 1 10 10 GLY N N 10 109.800 109.800 106.754 3.046 18255
6643 1 16 . 1 1 10 10 GLY C C 10 174.100 174.100 174.248 -0.148 18255
6644 1 16 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.205 0.095 18255
6645 1 16 . 1 1 10 10 GLY H H 10 8.490 8.490 7.825 0.665 18255
6646 1 16 . 1 1 11 11 THR N N 11 113.600 113.600 113.610 -0.010 18255
6647 1 16 . 1 1 11 11 THR HA H 11 3.710 3.710 4.500 -0.790 18255
6648 1 16 . 1 1 11 11 THR C C 11 174.600 174.600 175.489 -0.889 18255
6649 1 16 . 1 1 11 11 THR CA C 11 62.400 62.400 62.925 -0.525 18255
6650 1 16 . 1 1 11 11 THR CB C 11 70.100 70.100 69.975 0.125 18255
6651 1 16 . 1 1 11 11 THR H H 11 8.100 8.100 8.121 -0.021 18255
6652 1 16 . 1 1 12 12 LEU N N 12 123.900 123.900 121.725 2.175 18255
6653 1 16 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.508 -0.208 18255
6654 1 16 . 1 1 12 12 LEU C C 12 177.400 177.400 175.833 1.567 18255
6655 1 16 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.314 1.286 18255
6656 1 16 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.851 -0.751 18255
6657 1 16 . 1 1 12 12 LEU H H 12 8.350 8.350 8.002 0.348 18255
6658 1 16 . 1 1 13 13 GLU N N 13 121.300 121.300 117.992 3.308 18255
6659 1 16 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.485 -0.295 18255
6660 1 16 . 1 1 13 13 GLU C C 13 176.200 176.200 175.083 1.117 18255
6661 1 16 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.742 1.157 18255
6662 1 16 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.869 -0.869 18255
6663 1 16 . 1 1 13 13 GLU H H 13 8.420 8.420 7.899 0.521 18255
6664 1 16 . 1 1 14 14 ALA N N 14 124.100 124.100 121.808 2.292 18255
6665 1 16 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.601 -0.341 18255
6666 1 16 . 1 1 14 14 ALA C C 14 177.700 177.700 176.747 0.953 18255
6667 1 16 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.098 -0.398 18255
6668 1 16 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.682 -0.582 18255
6669 1 16 . 1 1 14 14 ALA H H 14 8.260 8.260 8.401 -0.141 18255
6670 1 16 . 1 1 15 15 GLN N N 15 119.100 119.100 119.856 -0.756 18255
6671 1 16 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.956 -0.596 18255
6672 1 16 . 1 1 15 15 GLN C C 15 176.200 176.200 174.561 1.639 18255
6673 1 16 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.055 0.845 18255
6674 1 16 . 1 1 15 15 GLN CB C 15 29.300 29.300 31.727 -2.426 18255
6675 1 16 . 1 1 15 15 GLN H H 15 8.340 8.340 8.066 0.274 18255
6676 1 16 . 1 1 16 16 THR N N 16 114.600 114.600 116.945 -2.345 18255
6677 1 16 . 1 1 16 16 THR HA H 16 4.320 4.320 4.260 0.060 18255
6678 1 16 . 1 1 16 16 THR C C 16 174.300 174.300 174.506 -0.206 18255
6679 1 16 . 1 1 16 16 THR CA C 16 61.900 61.900 61.980 -0.080 18255
6680 1 16 . 1 1 16 16 THR CB C 16 69.700 69.700 68.504 1.196 18255
6681 1 16 . 1 1 16 16 THR H H 16 8.160 8.160 8.967 -0.807 18255
6682 1 16 . 1 1 17 17 GLN N N 17 122.200 122.200 125.124 -2.924 18255
6683 1 16 . 1 1 17 17 GLN C C 17 175.800 175.800 175.584 0.216 18255
6684 1 16 . 1 1 17 17 GLN CA C 17 55.900 55.900 56.736 -0.836 18255
6685 1 16 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.210 0.390 18255
6686 1 16 . 1 1 17 17 GLN H H 17 8.410 8.410 7.995 0.415 18255
6687 1 16 . 1 1 18 18 GLY N N 18 110.100 110.100 112.527 -2.427 18255
6688 1 16 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.475 0.125 18255
6689 1 16 . 1 1 18 18 GLY H H 18 8.340 8.340 8.068 0.272 18255
6690 1 16 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.422 0.008 18255
6691 1 16 . 1 1 19 19 PRO C C 19 177.500 177.500 176.838 0.662 18255
6692 1 16 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.936 0.564 18255
6693 1 16 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.432 0.668 18255
6694 1 16 . 1 1 20 20 GLY N N 20 109.600 109.600 113.138 -3.538 18255
6695 1 16 . 1 1 20 20 GLY C C 20 174.000 174.000 174.754 -0.754 18255
6696 1 16 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.191 0.009 18255
6697 1 16 . 1 1 20 20 GLY H H 20 8.620 8.620 8.290 0.330 18255
6698 1 16 . 1 1 21 21 SER N N 21 115.300 115.300 123.882 -8.582 18255
6699 1 16 . 1 1 21 21 SER HA H 21 4.460 4.460 4.538 -0.078 18255
6700 1 16 . 1 1 21 21 SER C C 21 174.700 174.700 173.881 0.819 18255
6701 1 16 . 1 1 21 21 SER CA C 21 58.400 58.400 56.943 1.457 18255
6702 1 16 . 1 1 21 21 SER CB C 21 64.000 64.000 62.447 1.553 18255
6703 1 16 . 1 1 21 21 SER H H 21 8.240 8.240 8.370 -0.130 18255
6704 1 16 . 1 1 22 22 MET N N 22 122.000 122.000 122.740 -0.740 18255
6705 1 16 . 1 1 22 22 MET HA H 22 4.530 4.530 4.434 0.096 18255
6706 1 16 . 1 1 22 22 MET C C 22 176.000 176.000 175.735 0.265 18255
6707 1 16 . 1 1 22 22 MET CA C 22 55.700 55.700 55.218 0.482 18255
6708 1 16 . 1 1 22 22 MET CB C 22 32.600 32.600 30.209 2.391 18255
6709 1 16 . 1 1 22 22 MET H H 22 8.570 8.570 7.731 0.839 18255
6710 1 16 . 1 1 23 23 ASP N N 23 120.600 120.600 122.309 -1.709 18255
6711 1 16 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.744 -0.114 18255
6712 1 16 . 1 1 23 23 ASP C C 23 175.700 175.700 176.559 -0.859 18255
6713 1 16 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.740 0.060 18255
6714 1 16 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.479 -1.479 18255
6715 1 16 . 1 1 23 23 ASP H H 23 8.330 8.330 8.312 0.018 18255
6716 1 16 . 1 1 24 24 ASP N N 24 119.800 119.800 120.950 -1.150 18255
6717 1 16 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.733 -0.073 18255
6718 1 16 . 1 1 24 24 ASP C C 24 175.800 175.800 175.978 -0.178 18255
6719 1 16 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.341 0.759 18255
6720 1 16 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.196 -0.896 18255
6721 1 16 . 1 1 24 24 ASP H H 24 8.250 8.250 8.115 0.135 18255
6722 1 16 . 1 1 25 25 GLU N N 25 120.600 120.600 119.049 1.551 18255
6723 1 16 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.324 -0.104 18255
6724 1 16 . 1 1 25 25 GLU C C 25 175.200 175.200 176.676 -1.476 18255
6725 1 16 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.651 -0.251 18255
6726 1 16 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.046 0.455 18255
6727 1 16 . 1 1 25 25 GLU H H 25 8.190 8.190 8.569 -0.379 18255
6728 1 16 . 1 1 26 26 LEU N N 26 121.500 121.500 122.827 -1.327 18255
6729 1 16 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.233 0.307 18255
6730 1 16 . 1 1 26 26 LEU C C 26 175.200 175.200 176.712 -1.512 18255
6731 1 16 . 1 1 26 26 LEU CA C 26 54.000 54.000 56.009 -2.009 18255
6732 1 16 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.204 1.496 18255
6733 1 16 . 1 1 26 26 LEU H H 26 8.270 8.270 8.361 -0.091 18255
6734 1 16 . 1 1 27 27 TYR N N 27 119.400 119.400 118.674 0.726 18255
6735 1 16 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.221 -0.251 18255
6736 1 16 . 1 1 27 27 TYR C C 27 173.100 173.100 175.280 -2.180 18255
6737 1 16 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.901 -0.201 18255
6738 1 16 . 1 1 27 27 TYR CB C 27 43.900 43.900 41.916 1.984 18255
6739 1 16 . 1 1 27 27 TYR H H 27 9.250 9.250 8.773 0.477 18255
6740 1 16 . 1 1 28 28 PHE N N 28 114.700 114.700 119.409 -4.709 18255
6741 1 16 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.852 0.218 18255
6742 1 16 . 1 1 28 28 PHE C C 28 178.100 178.100 174.863 3.237 18255
6743 1 16 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.074 1.026 18255
6744 1 16 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.739 -1.239 18255
6745 1 16 . 1 1 28 28 PHE H H 28 9.510 9.510 9.390 0.120 18255
6746 1 16 . 1 1 29 29 VAL N N 29 121.100 121.100 123.925 -2.825 18255
6747 1 16 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.682 -0.202 18255
6748 1 16 . 1 1 29 29 VAL C C 29 175.200 175.200 175.434 -0.234 18255
6749 1 16 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.445 1.555 18255
6750 1 16 . 1 1 29 29 VAL CB C 29 31.900 31.900 30.769 1.131 18255
6751 1 16 . 1 1 29 29 VAL H H 29 9.110 9.110 8.893 0.217 18255
6752 1 16 . 1 1 30 30 VAL N N 30 119.800 119.800 123.677 -3.877 18255
6753 1 16 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.572 -0.022 18255
6754 1 16 . 1 1 30 30 VAL C C 30 173.800 173.800 174.223 -0.423 18255
6755 1 16 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.223 -1.223 18255
6756 1 16 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.470 -0.370 18255
6757 1 16 . 1 1 30 30 VAL H H 30 8.890 8.890 9.135 -0.245 18255
6758 1 16 . 1 1 31 31 ARG N N 31 119.700 119.700 117.975 1.725 18255
6759 1 16 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.837 0.353 18255
6760 1 16 . 1 1 31 31 ARG CA C 31 53.500 53.500 54.899 -1.399 18255
6761 1 16 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.492 0.608 18255
6762 1 16 . 1 1 31 31 ARG H H 31 8.980 8.980 9.049 -0.069 18255
6763 1 16 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.748 -0.508 18255
6764 1 16 . 1 1 32 32 ASN C C 32 176.600 176.600 174.832 1.768 18255
6765 1 16 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.724 -3.024 18255
6766 1 16 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.560 -3.860 18255
6767 1 16 . 1 1 33 33 ASN N N 33 114.800 114.800 120.041 -5.241 18255
6768 1 16 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.257 0.033 18255
6769 1 16 . 1 1 33 33 ASN C C 33 175.600 175.600 175.194 0.406 18255
6770 1 16 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.190 0.311 18255
6771 1 16 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.210 -0.410 18255
6772 1 16 . 1 1 33 33 ASN H H 33 7.760 7.760 8.880 -1.120 18255
6773 1 16 . 1 1 34 34 GLU N N 34 116.900 116.900 117.243 -0.343 18255
6774 1 16 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.297 0.013 18255
6775 1 16 . 1 1 34 34 GLU C C 34 176.200 176.200 177.175 -0.975 18255
6776 1 16 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.394 -0.493 18255
6777 1 16 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.809 -0.309 18255
6778 1 16 . 1 1 34 34 GLU H H 34 7.340 7.340 7.979 -0.639 18255
6779 1 16 . 1 1 35 35 GLY N N 35 107.000 107.000 108.093 -1.093 18255
6780 1 16 . 1 1 35 35 GLY C C 35 173.400 173.400 174.377 -0.977 18255
6781 1 16 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.370 0.030 18255
6782 1 16 . 1 1 35 35 GLY H H 35 7.720 7.720 8.532 -0.812 18255
6783 1 16 . 1 1 36 36 GLN N N 36 117.700 117.700 118.724 -1.024 18255
6784 1 16 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.502 0.778 18255
6785 1 16 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.196 -0.696 18255
6786 1 16 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.589 -0.089 18255
6787 1 16 . 1 1 36 36 GLN H H 36 7.570 7.570 7.423 0.147 18255
6788 1 16 . 1 1 37 37 TYR C C 37 176.300 176.300 175.049 1.251 18255
6789 1 16 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.742 -0.242 18255
6790 1 16 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.239 2.561 18255
6791 1 16 . 1 1 38 38 SER N N 38 114.700 114.700 117.022 -2.322 18255
6792 1 16 . 1 1 38 38 SER HA H 38 5.770 5.770 5.002 0.768 18255
6793 1 16 . 1 1 38 38 SER C C 38 173.100 173.100 172.840 0.260 18255
6794 1 16 . 1 1 38 38 SER CA C 38 57.300 57.300 57.084 0.216 18255
6795 1 16 . 1 1 38 38 SER CB C 38 64.400 64.400 66.563 -2.163 18255
6796 1 16 . 1 1 38 38 SER H H 38 9.230 9.230 8.935 0.295 18255
6797 1 16 . 1 1 39 39 VAL N N 39 114.000 114.000 115.121 -1.121 18255
6798 1 16 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.499 0.201 18255
6799 1 16 . 1 1 39 39 VAL C C 39 175.200 175.200 174.763 0.437 18255
6800 1 16 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.523 -0.623 18255
6801 1 16 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.747 -0.947 18255
6802 1 16 . 1 1 39 39 VAL H H 39 8.430 8.430 8.412 0.018 18255
6803 1 16 . 1 1 40 40 TRP N N 40 126.600 126.600 126.640 -0.040 18255
6804 1 16 . 1 1 40 40 TRP C C 40 174.000 174.000 174.215 -0.215 18255
6805 1 16 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.425 0.075 18255
6806 1 16 . 1 1 40 40 TRP CB C 40 35.700 35.700 34.111 1.589 18255
6807 1 16 . 1 1 40 40 TRP H H 40 9.590 9.590 9.209 0.381 18255
6808 1 16 . 1 1 41 41 MET N N 41 127.700 127.700 124.579 3.121 18255
6809 1 16 . 1 1 41 41 MET HA H 41 3.470 3.470 3.849 -0.379 18255
6810 1 16 . 1 1 41 41 MET C C 41 175.000 175.000 175.852 -0.852 18255
6811 1 16 . 1 1 41 41 MET CA C 41 56.900 56.900 56.344 0.556 18255
6812 1 16 . 1 1 41 41 MET CB C 41 33.800 33.800 32.688 1.111 18255
6813 1 16 . 1 1 41 41 MET H H 41 7.860 7.860 8.062 -0.202 18255
6814 1 16 . 1 1 42 42 ASP N N 42 123.400 123.400 125.069 -1.669 18255
6815 1 16 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.723 -0.203 18255
6816 1 16 . 1 1 42 42 ASP C C 42 176.800 176.800 177.055 -0.255 18255
6817 1 16 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.482 0.018 18255
6818 1 16 . 1 1 42 42 ASP CB C 42 41.500 41.500 42.076 -0.576 18255
6819 1 16 . 1 1 42 42 ASP H H 42 8.290 8.290 8.357 -0.067 18255
6820 1 16 . 1 1 43 43 GLY N N 43 113.300 113.300 111.582 1.718 18255
6821 1 16 . 1 1 43 43 GLY C C 43 174.000 174.000 174.318 -0.318 18255
6822 1 16 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.102 0.198 18255
6823 1 16 . 1 1 43 43 GLY H H 43 8.350 8.350 8.535 -0.185 18255
6824 1 16 . 1 1 44 44 ARG N N 44 119.600 119.600 123.276 -3.676 18255
6825 1 16 . 1 1 44 44 ARG C C 44 176.600 176.600 175.885 0.715 18255
6826 1 16 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.861 -0.061 18255
6827 1 16 . 1 1 44 44 ARG CB C 44 31.500 31.500 30.408 1.092 18255
6828 1 16 . 1 1 44 44 ARG H H 44 7.560 7.560 7.714 -0.154 18255
6829 1 16 . 1 1 45 45 SER N N 45 121.000 121.000 122.167 -1.167 18255
6830 1 16 . 1 1 45 45 SER HA H 45 4.310 4.310 4.320 -0.010 18255
6831 1 16 . 1 1 45 45 SER C C 45 174.300 174.300 174.498 -0.198 18255
6832 1 16 . 1 1 45 45 SER CA C 45 59.400 59.400 58.988 0.412 18255
6833 1 16 . 1 1 45 45 SER CB C 45 63.200 63.200 63.521 -0.321 18255
6834 1 16 . 1 1 45 45 SER H H 45 8.830 8.830 8.686 0.144 18255
6835 1 16 . 1 1 46 46 LEU N N 46 127.900 127.900 127.698 0.202 18255
6836 1 16 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.076 -0.226 18255
6837 1 16 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.504 0.496 18255
6838 1 16 . 1 1 46 46 LEU CB C 46 42.200 42.200 41.733 0.467 18255
6839 1 16 . 1 1 46 46 LEU H H 46 8.610 8.610 8.136 0.474 18255
6840 1 16 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.536 -0.356 18255
6841 1 16 . 1 1 47 47 PRO C C 47 175.700 175.700 176.123 -0.423 18255
6842 1 16 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.242 -0.442 18255
6843 1 16 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.289 -1.189 18255
6844 1 16 . 1 1 48 48 ALA N N 48 123.600 123.600 123.708 -0.108 18255
6845 1 16 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.146 -0.046 18255
6846 1 16 . 1 1 48 48 ALA C C 48 178.800 178.800 178.310 0.490 18255
6847 1 16 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.975 -0.475 18255
6848 1 16 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.038 -0.838 18255
6849 1 16 . 1 1 48 48 ALA H H 48 8.260 8.260 8.399 -0.139 18255
6850 1 16 . 1 1 49 49 GLY N N 49 110.200 110.200 111.175 -0.975 18255
6851 1 16 . 1 1 49 49 GLY C C 49 173.800 173.800 174.242 -0.442 18255
6852 1 16 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.496 0.604 18255
6853 1 16 . 1 1 49 49 GLY H H 49 8.720 8.720 8.203 0.517 18255
6854 1 16 . 1 1 50 50 TRP N N 50 119.900 119.900 121.936 -2.036 18255
6855 1 16 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.913 -0.243 18255
6856 1 16 . 1 1 50 50 TRP C C 50 174.900 174.900 176.453 -1.553 18255
6857 1 16 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.154 -0.954 18255
6858 1 16 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.327 0.073 18255
6859 1 16 . 1 1 50 50 TRP H H 50 7.640 7.640 7.975 -0.335 18255
6860 1 16 . 1 1 51 51 GLU N N 51 118.200 118.200 121.764 -3.564 18255
6861 1 16 . 1 1 51 51 GLU C C 51 175.400 175.400 175.533 -0.133 18255
6862 1 16 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.705 -0.405 18255
6863 1 16 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.243 0.357 18255
6864 1 16 . 1 1 51 51 GLU H H 51 8.650 8.650 9.188 -0.539 18255
6865 1 16 . 1 1 52 52 THR N N 52 112.200 112.200 113.241 -1.041 18255
6866 1 16 . 1 1 52 52 THR C C 52 174.800 174.800 173.578 1.222 18255
6867 1 16 . 1 1 52 52 THR CA C 52 62.000 62.000 60.161 1.839 18255
6868 1 16 . 1 1 52 52 THR CB C 52 70.000 70.000 69.885 0.115 18255
6869 1 16 . 1 1 52 52 THR H H 52 8.450 8.450 8.320 0.130 18255
6870 1 16 . 1 1 53 53 VAL N N 53 122.300 122.300 121.486 0.814 18255
6871 1 16 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.316 -0.046 18255
6872 1 16 . 1 1 53 53 VAL C C 53 176.200 176.200 174.458 1.742 18255
6873 1 16 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.342 -0.042 18255
6874 1 16 . 1 1 53 53 VAL CB C 53 33.000 33.000 36.228 -3.228 18255
6875 1 16 . 1 1 53 53 VAL H H 53 8.800 8.800 8.385 0.415 18255
6876 1 16 . 1 1 54 54 GLY N N 54 115.400 115.400 111.756 3.644 18255
6877 1 16 . 1 1 54 54 GLY C C 54 173.100 173.100 173.256 -0.156 18255
6878 1 16 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.962 -0.062 18255
6879 1 16 . 1 1 54 54 GLY H H 54 8.830 8.830 8.391 0.439 18255
6880 1 16 . 1 1 55 55 GLU N N 55 119.000 119.000 122.105 -3.105 18255
6881 1 16 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.696 0.024 18255
6882 1 16 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.437 -1.837 18255
6883 1 16 . 1 1 55 55 GLU H H 55 8.390 8.390 8.470 -0.080 18255
6884 1 16 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.307 0.113 18255
6885 1 16 . 1 1 56 56 PRO C C 56 176.200 176.200 175.674 0.526 18255
6886 1 16 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.277 0.623 18255
6887 1 16 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.011 0.489 18255
6888 1 16 . 1 1 57 57 ALA N N 57 124.300 124.300 128.058 -3.758 18255
6889 1 16 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.572 0.058 18255
6890 1 16 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.734 0.565 18255
6891 1 16 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.049 0.151 18255
6892 1 16 . 1 1 57 57 ALA H H 57 9.580 9.580 8.430 1.150 18255
6893 1 16 . 1 1 58 58 THR N N 58 108.700 108.700 114.143 -5.443 18255
6894 1 16 . 1 1 58 58 THR C C 58 175.700 175.700 176.157 -0.457 18255
6895 1 16 . 1 1 58 58 THR CA C 58 62.200 62.200 62.249 -0.049 18255
6896 1 16 . 1 1 58 58 THR CB C 58 70.600 70.600 69.772 0.828 18255
6897 1 16 . 1 1 58 58 THR H H 58 8.070 8.070 8.228 -0.158 18255
6898 1 16 . 1 1 59 59 LYS N N 59 123.400 123.400 123.900 -0.500 18255
6899 1 16 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.361 -0.191 18255
6900 1 16 . 1 1 59 59 LYS C C 59 178.100 178.100 178.602 -0.502 18255
6901 1 16 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.961 1.339 18255
6902 1 16 . 1 1 59 59 LYS CB C 59 31.700 31.700 32.077 -0.376 18255
6903 1 16 . 1 1 59 59 LYS H H 59 9.420 9.420 8.474 0.946 18255
6904 1 16 . 1 1 60 60 GLN N N 60 114.800 114.800 117.956 -3.156 18255
6905 1 16 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.806 0.064 18255
6906 1 16 . 1 1 60 60 GLN C C 60 178.600 178.600 178.047 0.553 18255
6907 1 16 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.219 -0.019 18255
6908 1 16 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.387 -0.287 18255
6909 1 16 . 1 1 60 60 GLN H H 60 8.610 8.610 8.067 0.543 18255
6910 1 16 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.109 -0.079 18255
6911 1 16 . 1 1 61 61 GLN C C 61 179.700 179.700 178.536 1.164 18255
6912 1 16 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.489 0.411 18255
6913 1 16 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.523 0.177 18255
6914 1 16 . 1 1 61 61 GLN H H 61 7.690 7.690 7.751 -0.061 18255
6915 1 16 . 1 1 62 62 CYS N N 62 118.800 118.800 117.740 1.060 18255
6916 1 16 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.158 -0.268 18255
6917 1 16 . 1 1 62 62 CYS C C 62 176.400 176.400 177.222 -0.822 18255
6918 1 16 . 1 1 62 62 CYS CA C 62 64.800 64.800 62.388 2.412 18255
6919 1 16 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.743 -0.543 18255
6920 1 16 . 1 1 62 62 CYS H H 62 8.460 8.460 8.284 0.176 18255
6921 1 16 . 1 1 63 63 LEU N N 63 119.200 119.200 121.097 -1.897 18255
6922 1 16 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.062 -0.172 18255
6923 1 16 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.954 0.146 18255
6924 1 16 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.621 0.279 18255
6925 1 16 . 1 1 63 63 LEU H H 63 8.350 8.350 8.299 0.051 18255
6926 1 16 . 1 1 64 64 GLN N N 64 119.000 119.000 119.866 -0.866 18255
6927 1 16 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.205 -0.175 18255
6928 1 16 . 1 1 64 64 GLN C C 64 178.400 178.400 178.488 -0.088 18255
6929 1 16 . 1 1 64 64 GLN CA C 64 58.600 58.600 58.695 -0.095 18255
6930 1 16 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.583 -0.283 18255
6931 1 16 . 1 1 64 64 GLN H H 64 7.910 7.910 7.991 -0.081 18255
6932 1 16 . 1 1 65 65 ARG N N 65 120.000 120.000 119.841 0.159 18255
6933 1 16 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.157 -0.158 18255
6934 1 16 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.050 0.250 18255
6935 1 16 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.375 -0.475 18255
6936 1 16 . 1 1 65 65 ARG H H 65 7.940 7.940 7.889 0.051 18255
6937 1 16 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.771 -0.401 18255
6938 1 16 . 1 1 66 66 ILE C C 66 176.700 176.700 177.397 -0.697 18255
6939 1 16 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.744 0.756 18255
6940 1 16 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.590 0.310 18255
6941 1 16 . 1 1 67 67 GLU N N 67 118.400 118.400 119.867 -1.467 18255
6942 1 16 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.092 -0.142 18255
6943 1 16 . 1 1 67 67 GLU C C 67 178.600 178.600 178.340 0.260 18255
6944 1 16 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.862 0.438 18255
6945 1 16 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.056 0.244 18255
6946 1 16 . 1 1 67 67 GLU H H 67 7.600 7.600 8.449 -0.849 18255
6947 1 16 . 1 1 68 68 GLN N N 68 116.400 116.400 117.016 -0.616 18255
6948 1 16 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.503 -0.383 18255
6949 1 16 . 1 1 68 68 GLN C C 68 177.400 177.400 177.189 0.211 18255
6950 1 16 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.712 0.888 18255
6951 1 16 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.976 -0.376 18255
6952 1 16 . 1 1 68 68 GLN H H 68 7.620 7.620 7.631 -0.011 18255
6953 1 16 . 1 1 69 69 LEU N N 69 120.000 120.000 120.627 -0.627 18255
6954 1 16 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.798 -0.708 18255
6955 1 16 . 1 1 69 69 LEU C C 69 176.600 176.600 178.869 -2.269 18255
6956 1 16 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.724 0.076 18255
6957 1 16 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.832 -0.932 18255
6958 1 16 . 1 1 69 69 LEU H H 69 7.900 7.900 7.846 0.054 18255
6959 1 16 . 1 1 70 70 TRP N N 70 119.200 119.200 121.447 -2.247 18255
6960 1 16 . 1 1 70 70 TRP C C 70 177.100 177.100 178.788 -1.688 18255
6961 1 16 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.452 -2.452 18255
6962 1 16 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.946 -1.646 18255
6963 1 16 . 1 1 70 70 TRP H H 70 8.120 8.120 8.382 -0.262 18255
6964 1 16 . 1 1 71 71 THR N N 71 114.500 114.500 114.453 0.047 18255
6965 1 16 . 1 1 71 71 THR HA H 71 4.160 4.160 3.729 0.431 18255
6966 1 16 . 1 1 71 71 THR C C 71 174.700 174.700 174.828 -0.128 18255
6967 1 16 . 1 1 71 71 THR CA C 71 63.700 63.700 64.826 -1.125 18255
6968 1 16 . 1 1 71 71 THR CB C 71 69.500 69.500 68.528 0.972 18255
6969 1 16 . 1 1 71 71 THR H H 71 7.960 7.960 7.663 0.297 18255
6970 1 16 . 1 1 72 72 ASP N N 72 120.700 120.700 120.448 0.252 18255
6971 1 16 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.403 0.157 18255
6972 1 16 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.469 -1.469 18255
6973 1 16 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.894 -0.094 18255
6974 1 16 . 1 1 72 72 ASP H H 72 8.140 8.140 8.277 -0.137 18255
6975 1 16 . 1 1 74 74 VAL N N 74 121.700 121.700 127.331 -5.631 18255
6976 1 16 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.385 -0.045 18255
6977 1 16 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.127 0.973 18255
6978 1 16 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.377 -0.877 18255
6979 1 16 . 1 1 74 74 VAL H H 74 7.950 7.950 8.588 -0.638 18255
6980 1 16 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.590 -0.210 18255
6981 1 16 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.417 0.883 18255
6982 1 16 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.214 -0.014 18255
6983 1 16 . 1 1 76 76 ALA N N 76 124.200 124.200 121.642 2.558 18255
6984 1 16 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.111 0.029 18255
6985 1 16 . 1 1 76 76 ALA C C 76 178.400 178.400 180.019 -1.619 18255
6986 1 16 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.855 -1.055 18255
6987 1 16 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.097 0.603 18255
6988 1 16 . 1 1 76 76 ALA H H 76 8.600 8.600 8.499 0.101 18255
6989 1 16 . 1 1 77 77 SER N N 77 112.900 112.900 115.635 -2.735 18255
6990 1 16 . 1 1 77 77 SER HA H 77 4.340 4.340 4.186 0.154 18255
6991 1 16 . 1 1 77 77 SER C C 77 175.200 175.200 176.824 -1.624 18255
6992 1 16 . 1 1 77 77 SER CA C 77 59.200 59.200 60.925 -1.726 18255
6993 1 16 . 1 1 77 77 SER CB C 77 63.200 63.200 62.548 0.652 18255
6994 1 16 . 1 1 77 77 SER H H 77 8.310 8.310 8.313 -0.003 18255
6995 1 16 . 1 1 78 78 VAL N N 78 121.700 121.700 123.054 -1.354 18255
6996 1 16 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.712 0.308 18255
6997 1 16 . 1 1 78 78 VAL C C 78 176.600 176.600 176.745 -0.145 18255
6998 1 16 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.157 -1.757 18255
6999 1 16 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.488 0.812 18255
7000 1 16 . 1 1 78 78 VAL H H 78 7.810 7.810 8.214 -0.404 18255
7001 1 16 . 1 1 79 79 ARG N N 79 121.900 121.900 117.259 4.641 18255
7002 1 16 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.006 0.154 18255
7003 1 16 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.093 -1.793 18255
7004 1 16 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.902 0.598 18255
7005 1 16 . 1 1 79 79 ARG H H 79 8.100 8.100 7.993 0.107 18255
7006 1 16 . 1 1 80 80 GLU N N 80 119.600 119.600 116.421 3.179 18255
7007 1 16 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.936 0.064 18255
7008 1 16 . 1 1 80 80 GLU H H 80 8.260 8.260 7.592 0.668 18255
7009 1 16 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.614 -0.064 18255
7010 1 16 . 1 1 81 81 HIS C C 81 175.600 175.600 175.466 0.134 18255
7011 1 16 . 1 1 81 81 HIS CA C 81 56.200 56.200 56.487 -0.287 18255
7012 1 16 . 1 1 81 81 HIS CB C 81 30.400 30.400 31.737 -1.337 18255
7013 1 16 . 1 1 82 82 LEU N N 82 121.500 121.500 123.826 -2.326 18255
7014 1 16 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.410 -0.150 18255
7015 1 16 . 1 1 82 82 LEU C C 82 177.200 177.200 175.693 1.507 18255
7016 1 16 . 1 1 82 82 LEU CA C 82 55.600 55.600 53.953 1.647 18255
7017 1 16 . 1 1 82 82 LEU CB C 82 42.100 42.100 39.667 2.433 18255
7018 1 16 . 1 1 82 82 LEU H H 82 8.120 8.120 7.988 0.132 18255
7019 1 16 . 1 1 83 83 ASN N N 83 118.300 118.300 123.288 -4.988 18255
7020 1 16 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.742 -0.102 18255
7021 1 16 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.055 1.445 18255
7022 1 16 . 1 1 83 83 ASN CB C 83 38.600 38.600 40.494 -1.894 18255
7023 1 16 . 1 1 83 83 ASN H H 83 8.400 8.400 8.176 0.224 18255
7024 1 16 . 1 1 85 85 HIS C C 85 174.900 174.900 174.677 0.223 18255
7025 1 16 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.276 2.024 18255
7026 1 16 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.433 0.167 18255
7027 1 16 . 1 1 86 86 SER N N 86 116.700 116.700 120.996 -4.296 18255
7028 1 16 . 1 1 86 86 SER C C 86 174.100 174.100 174.071 0.029 18255
7029 1 16 . 1 1 86 86 SER CA C 86 58.400 58.400 58.061 0.339 18255
7030 1 16 . 1 1 86 86 SER CB C 86 64.300 64.300 61.829 2.471 18255
7031 1 16 . 1 1 86 86 SER H H 86 8.220 8.220 8.978 -0.758 18255
7032 1 16 . 1 1 87 87 GLY N N 87 110.400 110.400 113.449 -3.049 18255
7033 1 16 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.753 -0.253 18255
7034 1 16 . 1 1 87 87 GLY H H 87 8.310 8.310 7.587 0.723 18255
7035 1 16 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.491 -0.121 18255
7036 1 16 . 1 1 88 88 PRO C C 88 177.400 177.400 176.517 0.883 18255
7037 1 16 . 1 1 88 88 PRO CA C 88 63.200 63.200 63.044 0.156 18255
7038 1 16 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.190 -0.190 18255
7039 1 16 . 1 1 89 89 GLY N N 89 109.300 109.300 109.279 0.021 18255
7040 1 16 . 1 1 89 89 GLY C C 89 173.800 173.800 173.072 0.728 18255
7041 1 16 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.480 0.720 18255
7042 1 16 . 1 1 89 89 GLY H H 89 8.500 8.500 8.218 0.282 18255
7043 1 16 . 1 1 90 90 ILE N N 90 119.600 119.600 119.854 -0.254 18255
7044 1 16 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.016 0.064 18255
7045 1 16 . 1 1 90 90 ILE C C 90 175.400 175.400 173.470 1.930 18255
7046 1 16 . 1 1 90 90 ILE CA C 90 61.000 61.000 61.140 -0.140 18255
7047 1 16 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.364 1.536 18255
7048 1 16 . 1 1 90 90 ILE H H 90 7.910 7.910 8.151 -0.241 18255
7049 1 16 . 1 1 91 91 ASP N N 91 123.400 123.400 124.649 -1.249 18255
7050 1 16 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.890 -0.320 18255
7051 1 16 . 1 1 91 91 ASP C C 91 175.700 175.700 174.413 1.287 18255
7052 1 16 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.181 0.719 18255
7053 1 16 . 1 1 91 91 ASP CB C 91 41.100 41.100 44.236 -3.136 18255
7054 1 16 . 1 1 91 91 ASP H H 91 8.350 8.350 7.522 0.828 18255
7055 1 16 . 1 1 92 92 TYR N N 92 120.800 120.800 120.605 0.195 18255
7056 1 16 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.570 -0.110 18255
7057 1 16 . 1 1 92 92 TYR C C 92 175.200 175.200 174.541 0.659 18255
7058 1 16 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.191 0.809 18255
7059 1 16 . 1 1 92 92 TYR CB C 92 38.600 38.600 40.512 -1.912 18255
7060 1 16 . 1 1 92 92 TYR H H 92 8.050 8.050 8.005 0.045 18255
7061 1 16 . 1 1 93 93 ALA N N 93 124.700 124.700 121.977 2.723 18255
7062 1 16 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.741 -0.441 18255
7063 1 16 . 1 1 93 93 ALA C C 93 177.100 177.100 175.777 1.323 18255
7064 1 16 . 1 1 93 93 ALA CA C 93 52.400 52.400 50.749 1.651 18255
7065 1 16 . 1 1 93 93 ALA CB C 93 19.300 19.300 21.055 -1.755 18255
7066 1 16 . 1 1 93 93 ALA H H 93 8.170 8.170 9.045 -0.875 18255
7067 1 16 . 1 1 94 94 VAL N N 94 119.400 119.400 120.525 -1.125 18255
7068 1 16 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.260 -0.210 18255
7069 1 16 . 1 1 94 94 VAL C C 94 175.100 175.100 174.250 0.850 18255
7070 1 16 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.283 1.117 18255
7071 1 16 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.908 0.392 18255
7072 1 16 . 1 1 94 94 VAL H H 94 8.000 8.000 8.527 -0.527 18255
7073 1 17 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.216 -0.256 18255
7074 1 17 . 1 1 2 2 ALA CA C 2 51.700 51.700 51.815 -0.115 18255
7075 1 17 . 1 1 2 2 ALA CB C 2 19.700 19.700 20.014 -0.314 18255
7076 1 17 . 1 1 8 8 HIS C C 8 175.200 175.200 174.655 0.545 18255
7077 1 17 . 1 1 8 8 HIS CA C 8 56.600 56.600 54.667 1.933 18255
7078 1 17 . 1 1 8 8 HIS CB C 8 30.800 30.800 33.189 -2.389 18255
7079 1 17 . 1 1 9 9 MET N N 9 121.800 121.800 118.820 2.980 18255
7080 1 17 . 1 1 9 9 MET C C 9 176.400 176.400 177.333 -0.933 18255
7081 1 17 . 1 1 9 9 MET CA C 9 55.800 55.800 56.252 -0.452 18255
7082 1 17 . 1 1 9 9 MET CB C 9 32.800 32.800 33.955 -1.155 18255
7083 1 17 . 1 1 9 9 MET H H 9 8.470 8.470 9.232 -0.762 18255
7084 1 17 . 1 1 10 10 GLY N N 10 109.800 109.800 111.063 -1.263 18255
7085 1 17 . 1 1 10 10 GLY C C 10 174.100 174.100 173.882 0.218 18255
7086 1 17 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.038 0.262 18255
7087 1 17 . 1 1 10 10 GLY H H 10 8.490 8.490 8.108 0.382 18255
7088 1 17 . 1 1 11 11 THR N N 11 113.600 113.600 117.018 -3.418 18255
7089 1 17 . 1 1 11 11 THR HA H 11 3.710 3.710 4.547 -0.837 18255
7090 1 17 . 1 1 11 11 THR C C 11 174.600 174.600 173.131 1.469 18255
7091 1 17 . 1 1 11 11 THR CA C 11 62.400 62.400 61.462 0.938 18255
7092 1 17 . 1 1 11 11 THR CB C 11 70.100 70.100 71.102 -1.002 18255
7093 1 17 . 1 1 11 11 THR H H 11 8.100 8.100 7.865 0.235 18255
7094 1 17 . 1 1 12 12 LEU N N 12 123.900 123.900 120.027 3.873 18255
7095 1 17 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.592 -0.292 18255
7096 1 17 . 1 1 12 12 LEU C C 12 177.400 177.400 175.313 2.087 18255
7097 1 17 . 1 1 12 12 LEU CA C 12 55.600 55.600 56.523 -0.923 18255
7098 1 17 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.587 -1.487 18255
7099 1 17 . 1 1 12 12 LEU H H 12 8.350 8.350 8.220 0.130 18255
7100 1 17 . 1 1 13 13 GLU N N 13 121.300 121.300 121.462 -0.162 18255
7101 1 17 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.485 -0.295 18255
7102 1 17 . 1 1 13 13 GLU C C 13 176.200 176.200 175.254 0.946 18255
7103 1 17 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.120 0.781 18255
7104 1 17 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.410 1.590 18255
7105 1 17 . 1 1 13 13 GLU H H 13 8.420 8.420 8.521 -0.101 18255
7106 1 17 . 1 1 14 14 ALA N N 14 124.100 124.100 127.845 -3.745 18255
7107 1 17 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.580 -0.320 18255
7108 1 17 . 1 1 14 14 ALA C C 14 177.700 177.700 177.531 0.169 18255
7109 1 17 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.360 0.340 18255
7110 1 17 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.634 -1.534 18255
7111 1 17 . 1 1 14 14 ALA H H 14 8.260 8.260 7.987 0.273 18255
7112 1 17 . 1 1 15 15 GLN N N 15 119.100 119.100 125.271 -6.171 18255
7113 1 17 . 1 1 15 15 GLN HA H 15 4.360 4.360 3.997 0.363 18255
7114 1 17 . 1 1 15 15 GLN C C 15 176.200 176.200 176.252 -0.052 18255
7115 1 17 . 1 1 15 15 GLN CA C 15 55.900 55.900 57.377 -1.477 18255
7116 1 17 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.979 0.321 18255
7117 1 17 . 1 1 15 15 GLN H H 15 8.340 8.340 8.841 -0.501 18255
7118 1 17 . 1 1 16 16 THR N N 16 114.600 114.600 111.299 3.301 18255
7119 1 17 . 1 1 16 16 THR HA H 16 4.320 4.320 4.025 0.295 18255
7120 1 17 . 1 1 16 16 THR C C 16 174.300 174.300 174.527 -0.227 18255
7121 1 17 . 1 1 16 16 THR CA C 16 61.900 61.900 62.404 -0.504 18255
7122 1 17 . 1 1 16 16 THR CB C 16 69.700 69.700 68.472 1.228 18255
7123 1 17 . 1 1 16 16 THR H H 16 8.160 8.160 7.955 0.205 18255
7124 1 17 . 1 1 17 17 GLN N N 17 122.200 122.200 119.766 2.434 18255
7125 1 17 . 1 1 17 17 GLN C C 17 175.800 175.800 176.875 -1.075 18255
7126 1 17 . 1 1 17 17 GLN CA C 17 55.900 55.900 57.596 -1.696 18255
7127 1 17 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.981 0.619 18255
7128 1 17 . 1 1 17 17 GLN H H 17 8.410 8.410 8.223 0.187 18255
7129 1 17 . 1 1 18 18 GLY N N 18 110.100 110.100 107.914 2.186 18255
7130 1 17 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.570 0.030 18255
7131 1 17 . 1 1 18 18 GLY H H 18 8.340 8.340 7.820 0.520 18255
7132 1 17 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.473 -0.043 18255
7133 1 17 . 1 1 19 19 PRO C C 19 177.500 177.500 176.901 0.599 18255
7134 1 17 . 1 1 19 19 PRO CA C 19 63.500 63.500 63.070 0.430 18255
7135 1 17 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.893 0.207 18255
7136 1 17 . 1 1 20 20 GLY N N 20 109.600 109.600 110.714 -1.114 18255
7137 1 17 . 1 1 20 20 GLY C C 20 174.000 174.000 174.232 -0.232 18255
7138 1 17 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.805 0.395 18255
7139 1 17 . 1 1 20 20 GLY H H 20 8.620 8.620 8.149 0.471 18255
7140 1 17 . 1 1 21 21 SER N N 21 115.300 115.300 118.489 -3.189 18255
7141 1 17 . 1 1 21 21 SER HA H 21 4.460 4.460 4.303 0.157 18255
7142 1 17 . 1 1 21 21 SER C C 21 174.700 174.700 174.428 0.272 18255
7143 1 17 . 1 1 21 21 SER CA C 21 58.400 58.400 57.965 0.435 18255
7144 1 17 . 1 1 21 21 SER CB C 21 64.000 64.000 63.790 0.210 18255
7145 1 17 . 1 1 21 21 SER H H 21 8.240 8.240 8.288 -0.048 18255
7146 1 17 . 1 1 22 22 MET N N 22 122.000 122.000 126.550 -4.550 18255
7147 1 17 . 1 1 22 22 MET HA H 22 4.530 4.530 4.352 0.178 18255
7148 1 17 . 1 1 22 22 MET C C 22 176.000 176.000 174.970 1.030 18255
7149 1 17 . 1 1 22 22 MET CA C 22 55.700 55.700 54.797 0.903 18255
7150 1 17 . 1 1 22 22 MET CB C 22 32.600 32.600 32.831 -0.231 18255
7151 1 17 . 1 1 22 22 MET H H 22 8.570 8.570 8.569 0.001 18255
7152 1 17 . 1 1 23 23 ASP N N 23 120.600 120.600 128.490 -7.890 18255
7153 1 17 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.752 -0.122 18255
7154 1 17 . 1 1 23 23 ASP C C 23 175.700 175.700 174.975 0.725 18255
7155 1 17 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.077 0.723 18255
7156 1 17 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.867 -0.867 18255
7157 1 17 . 1 1 23 23 ASP H H 23 8.330 8.330 8.460 -0.130 18255
7158 1 17 . 1 1 24 24 ASP N N 24 119.800 119.800 123.227 -3.427 18255
7159 1 17 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.677 -0.017 18255
7160 1 17 . 1 1 24 24 ASP C C 24 175.800 175.800 174.797 1.003 18255
7161 1 17 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.229 0.871 18255
7162 1 17 . 1 1 24 24 ASP CB C 24 41.300 41.300 43.093 -1.793 18255
7163 1 17 . 1 1 24 24 ASP H H 24 8.250 8.250 8.444 -0.194 18255
7164 1 17 . 1 1 25 25 GLU N N 25 120.600 120.600 119.579 1.021 18255
7165 1 17 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.330 -0.110 18255
7166 1 17 . 1 1 25 25 GLU C C 25 175.200 175.200 176.330 -1.130 18255
7167 1 17 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.859 -0.459 18255
7168 1 17 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.173 0.327 18255
7169 1 17 . 1 1 25 25 GLU H H 25 8.190 8.190 8.510 -0.320 18255
7170 1 17 . 1 1 26 26 LEU N N 26 121.500 121.500 124.980 -3.480 18255
7171 1 17 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.544 -0.004 18255
7172 1 17 . 1 1 26 26 LEU C C 26 175.200 175.200 176.671 -1.471 18255
7173 1 17 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.030 -1.030 18255
7174 1 17 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.481 1.219 18255
7175 1 17 . 1 1 26 26 LEU H H 26 8.270 8.270 8.349 -0.079 18255
7176 1 17 . 1 1 27 27 TYR N N 27 119.400 119.400 119.657 -0.257 18255
7177 1 17 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.105 -0.135 18255
7178 1 17 . 1 1 27 27 TYR C C 27 173.100 173.100 175.001 -1.901 18255
7179 1 17 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.554 0.146 18255
7180 1 17 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.105 1.795 18255
7181 1 17 . 1 1 27 27 TYR H H 27 9.250 9.250 9.114 0.136 18255
7182 1 17 . 1 1 28 28 PHE N N 28 114.700 114.700 119.740 -5.040 18255
7183 1 17 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.808 0.262 18255
7184 1 17 . 1 1 28 28 PHE C C 28 178.100 178.100 174.226 3.874 18255
7185 1 17 . 1 1 28 28 PHE CA C 28 57.100 57.100 57.160 -0.060 18255
7186 1 17 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.099 -0.599 18255
7187 1 17 . 1 1 28 28 PHE H H 28 9.510 9.510 9.289 0.221 18255
7188 1 17 . 1 1 29 29 VAL N N 29 121.100 121.100 120.467 0.633 18255
7189 1 17 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.858 -0.378 18255
7190 1 17 . 1 1 29 29 VAL C C 29 175.200 175.200 175.101 0.099 18255
7191 1 17 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.465 2.535 18255
7192 1 17 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.364 -0.464 18255
7193 1 17 . 1 1 29 29 VAL H H 29 9.110 9.110 8.781 0.329 18255
7194 1 17 . 1 1 30 30 VAL N N 30 119.800 119.800 119.455 0.345 18255
7195 1 17 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.525 0.025 18255
7196 1 17 . 1 1 30 30 VAL C C 30 173.800 173.800 174.030 -0.230 18255
7197 1 17 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.142 -1.142 18255
7198 1 17 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.064 0.036 18255
7199 1 17 . 1 1 30 30 VAL H H 30 8.890 8.890 9.275 -0.385 18255
7200 1 17 . 1 1 31 31 ARG N N 31 119.700 119.700 117.771 1.929 18255
7201 1 17 . 1 1 31 31 ARG HA H 31 5.190 5.190 5.013 0.177 18255
7202 1 17 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.187 -1.687 18255
7203 1 17 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.483 0.617 18255
7204 1 17 . 1 1 31 31 ARG H H 31 8.980 8.980 9.168 -0.188 18255
7205 1 17 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.691 -0.451 18255
7206 1 17 . 1 1 32 32 ASN C C 32 176.600 176.600 174.575 2.025 18255
7207 1 17 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.975 -3.275 18255
7208 1 17 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.640 -3.940 18255
7209 1 17 . 1 1 33 33 ASN N N 33 114.800 114.800 119.901 -5.101 18255
7210 1 17 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.322 -0.032 18255
7211 1 17 . 1 1 33 33 ASN C C 33 175.600 175.600 174.946 0.654 18255
7212 1 17 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.364 0.137 18255
7213 1 17 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.086 -0.286 18255
7214 1 17 . 1 1 33 33 ASN H H 33 7.760 7.760 8.980 -1.220 18255
7215 1 17 . 1 1 34 34 GLU N N 34 116.900 116.900 117.151 -0.251 18255
7216 1 17 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.368 -0.058 18255
7217 1 17 . 1 1 34 34 GLU C C 34 176.200 176.200 177.258 -1.058 18255
7218 1 17 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.472 -0.572 18255
7219 1 17 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.122 -0.622 18255
7220 1 17 . 1 1 34 34 GLU H H 34 7.340 7.340 8.082 -0.742 18255
7221 1 17 . 1 1 35 35 GLY N N 35 107.000 107.000 109.472 -2.472 18255
7222 1 17 . 1 1 35 35 GLY C C 35 173.400 173.400 173.886 -0.486 18255
7223 1 17 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.648 -0.248 18255
7224 1 17 . 1 1 35 35 GLY H H 35 7.720 7.720 8.364 -0.644 18255
7225 1 17 . 1 1 36 36 GLN N N 36 117.700 117.700 117.262 0.438 18255
7226 1 17 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.804 0.476 18255
7227 1 17 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.344 0.156 18255
7228 1 17 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.951 -0.451 18255
7229 1 17 . 1 1 36 36 GLN H H 36 7.570 7.570 7.409 0.161 18255
7230 1 17 . 1 1 37 37 TYR C C 37 176.300 176.300 175.197 1.103 18255
7231 1 17 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.137 0.363 18255
7232 1 17 . 1 1 37 37 TYR CB C 37 42.800 42.800 41.093 1.707 18255
7233 1 17 . 1 1 38 38 SER N N 38 114.700 114.700 116.203 -1.503 18255
7234 1 17 . 1 1 38 38 SER HA H 38 5.770 5.770 4.939 0.831 18255
7235 1 17 . 1 1 38 38 SER C C 38 173.100 173.100 172.681 0.419 18255
7236 1 17 . 1 1 38 38 SER CA C 38 57.300 57.300 57.336 -0.035 18255
7237 1 17 . 1 1 38 38 SER CB C 38 64.400 64.400 66.450 -2.050 18255
7238 1 17 . 1 1 38 38 SER H H 38 9.230 9.230 9.216 0.014 18255
7239 1 17 . 1 1 39 39 VAL N N 39 114.000 114.000 115.039 -1.039 18255
7240 1 17 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.402 0.298 18255
7241 1 17 . 1 1 39 39 VAL C C 39 175.200 175.200 175.045 0.155 18255
7242 1 17 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.628 -0.728 18255
7243 1 17 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.136 -0.336 18255
7244 1 17 . 1 1 39 39 VAL H H 39 8.430 8.430 8.436 -0.006 18255
7245 1 17 . 1 1 40 40 TRP N N 40 126.600 126.600 124.978 1.622 18255
7246 1 17 . 1 1 40 40 TRP C C 40 174.000 174.000 174.056 -0.056 18255
7247 1 17 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.473 0.027 18255
7248 1 17 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.189 2.511 18255
7249 1 17 . 1 1 40 40 TRP H H 40 9.590 9.590 9.022 0.568 18255
7250 1 17 . 1 1 41 41 MET N N 41 127.700 127.700 127.965 -0.265 18255
7251 1 17 . 1 1 41 41 MET HA H 41 3.470 3.470 3.001 0.469 18255
7252 1 17 . 1 1 41 41 MET C C 41 175.000 175.000 174.059 0.941 18255
7253 1 17 . 1 1 41 41 MET CA C 41 56.900 56.900 54.010 2.890 18255
7254 1 17 . 1 1 41 41 MET CB C 41 33.800 33.800 32.279 1.521 18255
7255 1 17 . 1 1 41 41 MET H H 41 7.860 7.860 8.252 -0.392 18255
7256 1 17 . 1 1 42 42 ASP N N 42 123.400 123.400 127.137 -3.737 18255
7257 1 17 . 1 1 42 42 ASP HA H 42 4.520 4.520 3.865 0.655 18255
7258 1 17 . 1 1 42 42 ASP C C 42 176.800 176.800 177.000 -0.200 18255
7259 1 17 . 1 1 42 42 ASP CA C 42 55.500 55.500 54.707 0.793 18255
7260 1 17 . 1 1 42 42 ASP CB C 42 41.500 41.500 42.009 -0.509 18255
7261 1 17 . 1 1 42 42 ASP H H 42 8.290 8.290 7.660 0.630 18255
7262 1 17 . 1 1 43 43 GLY N N 43 113.300 113.300 110.035 3.265 18255
7263 1 17 . 1 1 43 43 GLY C C 43 174.000 174.000 173.214 0.786 18255
7264 1 17 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.101 0.199 18255
7265 1 17 . 1 1 43 43 GLY H H 43 8.350 8.350 8.494 -0.144 18255
7266 1 17 . 1 1 44 44 ARG N N 44 119.600 119.600 117.514 2.086 18255
7267 1 17 . 1 1 44 44 ARG C C 44 176.600 176.600 174.713 1.887 18255
7268 1 17 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.523 0.278 18255
7269 1 17 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.802 -0.302 18255
7270 1 17 . 1 1 44 44 ARG H H 44 7.560 7.560 7.592 -0.032 18255
7271 1 17 . 1 1 45 45 SER N N 45 121.000 121.000 114.640 6.360 18255
7272 1 17 . 1 1 45 45 SER HA H 45 4.310 4.310 4.931 -0.621 18255
7273 1 17 . 1 1 45 45 SER C C 45 174.300 174.300 173.629 0.671 18255
7274 1 17 . 1 1 45 45 SER CA C 45 59.400 59.400 57.743 1.657 18255
7275 1 17 . 1 1 45 45 SER CB C 45 63.200 63.200 64.805 -1.605 18255
7276 1 17 . 1 1 45 45 SER H H 45 8.830 8.830 8.545 0.285 18255
7277 1 17 . 1 1 46 46 LEU N N 46 127.900 127.900 124.378 3.522 18255
7278 1 17 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.346 -0.496 18255
7279 1 17 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.154 1.846 18255
7280 1 17 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.508 -0.308 18255
7281 1 17 . 1 1 46 46 LEU H H 46 8.610 8.610 8.284 0.326 18255
7282 1 17 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.251 -0.071 18255
7283 1 17 . 1 1 47 47 PRO C C 47 175.700 175.700 176.282 -0.582 18255
7284 1 17 . 1 1 47 47 PRO CA C 47 61.800 61.800 63.030 -1.230 18255
7285 1 17 . 1 1 47 47 PRO CB C 47 31.100 31.100 31.994 -0.894 18255
7286 1 17 . 1 1 48 48 ALA N N 48 123.600 123.600 126.197 -2.597 18255
7287 1 17 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.147 -0.047 18255
7288 1 17 . 1 1 48 48 ALA C C 48 178.800 178.800 178.449 0.351 18255
7289 1 17 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.894 -0.394 18255
7290 1 17 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.178 -0.978 18255
7291 1 17 . 1 1 48 48 ALA H H 48 8.260 8.260 8.208 0.052 18255
7292 1 17 . 1 1 49 49 GLY N N 49 110.200 110.200 111.470 -1.270 18255
7293 1 17 . 1 1 49 49 GLY C C 49 173.800 173.800 174.243 -0.443 18255
7294 1 17 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.481 0.619 18255
7295 1 17 . 1 1 49 49 GLY H H 49 8.720 8.720 8.487 0.233 18255
7296 1 17 . 1 1 50 50 TRP N N 50 119.900 119.900 122.071 -2.171 18255
7297 1 17 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.636 0.034 18255
7298 1 17 . 1 1 50 50 TRP C C 50 174.900 174.900 175.906 -1.006 18255
7299 1 17 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.829 -1.629 18255
7300 1 17 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.374 0.026 18255
7301 1 17 . 1 1 50 50 TRP H H 50 7.640 7.640 7.985 -0.345 18255
7302 1 17 . 1 1 51 51 GLU N N 51 118.200 118.200 118.798 -0.598 18255
7303 1 17 . 1 1 51 51 GLU C C 51 175.400 175.400 175.173 0.227 18255
7304 1 17 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.618 -0.318 18255
7305 1 17 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.850 0.750 18255
7306 1 17 . 1 1 51 51 GLU H H 51 8.650 8.650 9.116 -0.466 18255
7307 1 17 . 1 1 52 52 THR N N 52 112.200 112.200 113.044 -0.844 18255
7308 1 17 . 1 1 52 52 THR C C 52 174.800 174.800 174.637 0.163 18255
7309 1 17 . 1 1 52 52 THR CA C 52 62.000 62.000 60.445 1.555 18255
7310 1 17 . 1 1 52 52 THR CB C 52 70.000 70.000 70.524 -0.524 18255
7311 1 17 . 1 1 52 52 THR H H 52 8.450 8.450 8.260 0.190 18255
7312 1 17 . 1 1 53 53 VAL N N 53 122.300 122.300 114.303 7.997 18255
7313 1 17 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.376 -0.106 18255
7314 1 17 . 1 1 53 53 VAL C C 53 176.200 176.200 174.935 1.265 18255
7315 1 17 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.281 0.019 18255
7316 1 17 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.791 -1.792 18255
7317 1 17 . 1 1 53 53 VAL H H 53 8.800 8.800 8.867 -0.067 18255
7318 1 17 . 1 1 54 54 GLY N N 54 115.400 115.400 109.874 5.526 18255
7319 1 17 . 1 1 54 54 GLY C C 54 173.100 173.100 172.827 0.273 18255
7320 1 17 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.308 -0.408 18255
7321 1 17 . 1 1 54 54 GLY H H 54 8.830 8.830 8.581 0.249 18255
7322 1 17 . 1 1 55 55 GLU N N 55 119.000 119.000 121.873 -2.873 18255
7323 1 17 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.824 -0.104 18255
7324 1 17 . 1 1 55 55 GLU CB C 55 29.600 29.600 32.060 -2.460 18255
7325 1 17 . 1 1 55 55 GLU H H 55 8.390 8.390 8.671 -0.281 18255
7326 1 17 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.430 -0.010 18255
7327 1 17 . 1 1 56 56 PRO C C 56 176.200 176.200 175.481 0.719 18255
7328 1 17 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.346 0.554 18255
7329 1 17 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.943 0.557 18255
7330 1 17 . 1 1 57 57 ALA N N 57 124.300 124.300 127.286 -2.986 18255
7331 1 17 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.578 0.052 18255
7332 1 17 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.511 0.789 18255
7333 1 17 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.394 -0.194 18255
7334 1 17 . 1 1 57 57 ALA H H 57 9.580 9.580 8.767 0.813 18255
7335 1 17 . 1 1 58 58 THR N N 58 108.700 108.700 113.600 -4.900 18255
7336 1 17 . 1 1 58 58 THR C C 58 175.700 175.700 176.396 -0.696 18255
7337 1 17 . 1 1 58 58 THR CA C 58 62.200 62.200 61.909 0.291 18255
7338 1 17 . 1 1 58 58 THR CB C 58 70.600 70.600 70.133 0.467 18255
7339 1 17 . 1 1 58 58 THR H H 58 8.070 8.070 8.358 -0.288 18255
7340 1 17 . 1 1 59 59 LYS N N 59 123.400 123.400 125.720 -2.320 18255
7341 1 17 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.460 -0.290 18255
7342 1 17 . 1 1 59 59 LYS C C 59 178.100 178.100 178.439 -0.339 18255
7343 1 17 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.962 1.338 18255
7344 1 17 . 1 1 59 59 LYS CB C 59 31.700 31.700 32.041 -0.341 18255
7345 1 17 . 1 1 59 59 LYS H H 59 9.420 9.420 8.879 0.541 18255
7346 1 17 . 1 1 60 60 GLN N N 60 114.800 114.800 117.457 -2.657 18255
7347 1 17 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.926 -0.056 18255
7348 1 17 . 1 1 60 60 GLN C C 60 178.600 178.600 178.737 -0.137 18255
7349 1 17 . 1 1 60 60 GLN CA C 60 59.200 59.200 58.991 0.209 18255
7350 1 17 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.433 -0.333 18255
7351 1 17 . 1 1 60 60 GLN H H 60 8.610 8.610 8.406 0.204 18255
7352 1 17 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.055 -0.025 18255
7353 1 17 . 1 1 61 61 GLN C C 61 179.700 179.700 178.617 1.083 18255
7354 1 17 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.798 0.102 18255
7355 1 17 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.691 0.009 18255
7356 1 17 . 1 1 61 61 GLN H H 61 7.690 7.690 7.859 -0.170 18255
7357 1 17 . 1 1 62 62 CYS N N 62 118.800 118.800 118.833 -0.033 18255
7358 1 17 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.128 -0.238 18255
7359 1 17 . 1 1 62 62 CYS C C 62 176.400 176.400 176.754 -0.354 18255
7360 1 17 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.902 -0.102 18255
7361 1 17 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.748 -0.548 18255
7362 1 17 . 1 1 62 62 CYS H H 62 8.460 8.460 8.242 0.218 18255
7363 1 17 . 1 1 63 63 LEU N N 63 119.200 119.200 118.903 0.297 18255
7364 1 17 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.097 -0.207 18255
7365 1 17 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.162 -0.062 18255
7366 1 17 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.285 0.615 18255
7367 1 17 . 1 1 63 63 LEU H H 63 8.350 8.350 8.184 0.166 18255
7368 1 17 . 1 1 64 64 GLN N N 64 119.000 119.000 119.592 -0.592 18255
7369 1 17 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.910 0.120 18255
7370 1 17 . 1 1 64 64 GLN C C 64 178.400 178.400 178.299 0.101 18255
7371 1 17 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.105 -0.505 18255
7372 1 17 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.563 -0.263 18255
7373 1 17 . 1 1 64 64 GLN H H 64 7.910 7.910 8.179 -0.269 18255
7374 1 17 . 1 1 65 65 ARG N N 65 120.000 120.000 119.803 0.197 18255
7375 1 17 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.022 -0.022 18255
7376 1 17 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.416 -0.116 18255
7377 1 17 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.262 -0.362 18255
7378 1 17 . 1 1 65 65 ARG H H 65 7.940 7.940 7.762 0.178 18255
7379 1 17 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.609 -0.239 18255
7380 1 17 . 1 1 66 66 ILE C C 66 176.700 176.700 177.247 -0.547 18255
7381 1 17 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.723 0.777 18255
7382 1 17 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.378 0.522 18255
7383 1 17 . 1 1 67 67 GLU N N 67 118.400 118.400 118.958 -0.558 18255
7384 1 17 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.150 -0.200 18255
7385 1 17 . 1 1 67 67 GLU C C 67 178.600 178.600 177.896 0.704 18255
7386 1 17 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.739 0.561 18255
7387 1 17 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.174 0.126 18255
7388 1 17 . 1 1 67 67 GLU H H 67 7.600 7.600 7.848 -0.248 18255
7389 1 17 . 1 1 68 68 GLN N N 68 116.400 116.400 115.266 1.134 18255
7390 1 17 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.285 -0.165 18255
7391 1 17 . 1 1 68 68 GLN C C 68 177.400 177.400 176.404 0.996 18255
7392 1 17 . 1 1 68 68 GLN CA C 68 57.600 57.600 55.505 2.095 18255
7393 1 17 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.584 0.016 18255
7394 1 17 . 1 1 68 68 GLN H H 68 7.620 7.620 7.706 -0.086 18255
7395 1 17 . 1 1 69 69 LEU N N 69 120.000 120.000 118.056 1.944 18255
7396 1 17 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.383 -0.293 18255
7397 1 17 . 1 1 69 69 LEU C C 69 176.600 176.600 177.695 -1.095 18255
7398 1 17 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.137 0.663 18255
7399 1 17 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.334 -0.434 18255
7400 1 17 . 1 1 69 69 LEU H H 69 7.900 7.900 7.523 0.377 18255
7401 1 17 . 1 1 70 70 TRP N N 70 119.200 119.200 120.597 -1.397 18255
7402 1 17 . 1 1 70 70 TRP C C 70 177.100 177.100 176.892 0.208 18255
7403 1 17 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.742 -2.743 18255
7404 1 17 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.930 -2.630 18255
7405 1 17 . 1 1 70 70 TRP H H 70 8.120 8.120 8.085 0.035 18255
7406 1 17 . 1 1 71 71 THR N N 71 114.500 114.500 112.088 2.412 18255
7407 1 17 . 1 1 71 71 THR HA H 71 4.160 4.160 4.239 -0.079 18255
7408 1 17 . 1 1 71 71 THR C C 71 174.700 174.700 174.862 -0.162 18255
7409 1 17 . 1 1 71 71 THR CA C 71 63.700 63.700 64.915 -1.215 18255
7410 1 17 . 1 1 71 71 THR CB C 71 69.500 69.500 68.985 0.515 18255
7411 1 17 . 1 1 71 71 THR H H 71 7.960 7.960 7.592 0.368 18255
7412 1 17 . 1 1 72 72 ASP N N 72 120.700 120.700 120.815 -0.115 18255
7413 1 17 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.261 0.299 18255
7414 1 17 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.894 -0.894 18255
7415 1 17 . 1 1 72 72 ASP CB C 72 40.800 40.800 39.983 0.817 18255
7416 1 17 . 1 1 72 72 ASP H H 72 8.140 8.140 8.205 -0.065 18255
7417 1 17 . 1 1 74 74 VAL N N 74 121.700 121.700 127.412 -5.712 18255
7418 1 17 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.433 -0.093 18255
7419 1 17 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.397 0.703 18255
7420 1 17 . 1 1 74 74 VAL CB C 74 32.500 32.500 34.003 -1.503 18255
7421 1 17 . 1 1 74 74 VAL H H 74 7.950 7.950 8.135 -0.185 18255
7422 1 17 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.768 -0.388 18255
7423 1 17 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.241 1.059 18255
7424 1 17 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.655 -0.455 18255
7425 1 17 . 1 1 76 76 ALA N N 76 124.200 124.200 121.916 2.284 18255
7426 1 17 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.022 0.118 18255
7427 1 17 . 1 1 76 76 ALA C C 76 178.400 178.400 179.020 -0.620 18255
7428 1 17 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.664 -0.864 18255
7429 1 17 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.059 0.641 18255
7430 1 17 . 1 1 76 76 ALA H H 76 8.600 8.600 8.967 -0.367 18255
7431 1 17 . 1 1 77 77 SER N N 77 112.900 112.900 112.601 0.299 18255
7432 1 17 . 1 1 77 77 SER HA H 77 4.340 4.340 4.242 0.098 18255
7433 1 17 . 1 1 77 77 SER C C 77 175.200 175.200 176.277 -1.077 18255
7434 1 17 . 1 1 77 77 SER CA C 77 59.200 59.200 60.128 -0.928 18255
7435 1 17 . 1 1 77 77 SER CB C 77 63.200 63.200 62.406 0.794 18255
7436 1 17 . 1 1 77 77 SER H H 77 8.310 8.310 7.858 0.452 18255
7437 1 17 . 1 1 78 78 VAL N N 78 121.700 121.700 122.717 -1.017 18255
7438 1 17 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.794 0.226 18255
7439 1 17 . 1 1 78 78 VAL C C 78 176.600 176.600 176.949 -0.349 18255
7440 1 17 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.245 -1.845 18255
7441 1 17 . 1 1 78 78 VAL CB C 78 32.300 32.300 32.044 0.256 18255
7442 1 17 . 1 1 78 78 VAL H H 78 7.810 7.810 8.219 -0.409 18255
7443 1 17 . 1 1 79 79 ARG N N 79 121.900 121.900 117.251 4.649 18255
7444 1 17 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.530 -0.370 18255
7445 1 17 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.379 -1.079 18255
7446 1 17 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.958 0.542 18255
7447 1 17 . 1 1 79 79 ARG H H 79 8.100 8.100 7.762 0.338 18255
7448 1 17 . 1 1 80 80 GLU N N 80 119.600 119.600 117.146 2.454 18255
7449 1 17 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.556 0.444 18255
7450 1 17 . 1 1 80 80 GLU H H 80 8.260 8.260 7.724 0.536 18255
7451 1 17 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.713 -0.163 18255
7452 1 17 . 1 1 81 81 HIS C C 81 175.600 175.600 175.063 0.537 18255
7453 1 17 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.257 -1.057 18255
7454 1 17 . 1 1 81 81 HIS CB C 81 30.400 30.400 32.228 -1.828 18255
7455 1 17 . 1 1 82 82 LEU N N 82 121.500 121.500 121.019 0.481 18255
7456 1 17 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.594 -0.334 18255
7457 1 17 . 1 1 82 82 LEU C C 82 177.200 177.200 175.378 1.822 18255
7458 1 17 . 1 1 82 82 LEU CA C 82 55.600 55.600 52.697 2.902 18255
7459 1 17 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.603 0.496 18255
7460 1 17 . 1 1 82 82 LEU H H 82 8.120 8.120 8.233 -0.113 18255
7461 1 17 . 1 1 83 83 ASN N N 83 118.300 118.300 122.904 -4.604 18255
7462 1 17 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.837 -0.197 18255
7463 1 17 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.817 0.683 18255
7464 1 17 . 1 1 83 83 ASN CB C 83 38.600 38.600 40.509 -1.909 18255
7465 1 17 . 1 1 83 83 ASN H H 83 8.400 8.400 8.490 -0.090 18255
7466 1 17 . 1 1 85 85 HIS C C 85 174.900 174.900 174.626 0.274 18255
7467 1 17 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.295 1.005 18255
7468 1 17 . 1 1 85 85 HIS CB C 85 30.600 30.600 31.029 -0.429 18255
7469 1 17 . 1 1 86 86 SER N N 86 116.700 116.700 117.700 -1.000 18255
7470 1 17 . 1 1 86 86 SER C C 86 174.100 174.100 174.121 -0.021 18255
7471 1 17 . 1 1 86 86 SER CA C 86 58.400 58.400 59.506 -1.106 18255
7472 1 17 . 1 1 86 86 SER CB C 86 64.300 64.300 63.186 1.114 18255
7473 1 17 . 1 1 86 86 SER H H 86 8.220 8.220 7.851 0.369 18255
7474 1 17 . 1 1 87 87 GLY N N 87 110.400 110.400 113.376 -2.976 18255
7475 1 17 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.093 0.407 18255
7476 1 17 . 1 1 87 87 GLY H H 87 8.310 8.310 8.036 0.274 18255
7477 1 17 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.477 -0.107 18255
7478 1 17 . 1 1 88 88 PRO C C 88 177.400 177.400 177.497 -0.097 18255
7479 1 17 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.783 0.417 18255
7480 1 17 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.010 -0.010 18255
7481 1 17 . 1 1 89 89 GLY N N 89 109.300 109.300 110.370 -1.070 18255
7482 1 17 . 1 1 89 89 GLY C C 89 173.800 173.800 173.906 -0.106 18255
7483 1 17 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.461 0.739 18255
7484 1 17 . 1 1 89 89 GLY H H 89 8.500 8.500 8.189 0.311 18255
7485 1 17 . 1 1 90 90 ILE N N 90 119.600 119.600 118.811 0.789 18255
7486 1 17 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.379 -0.299 18255
7487 1 17 . 1 1 90 90 ILE C C 90 175.400 175.400 174.515 0.885 18255
7488 1 17 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.255 0.745 18255
7489 1 17 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.006 1.894 18255
7490 1 17 . 1 1 90 90 ILE H H 90 7.910 7.910 8.001 -0.091 18255
7491 1 17 . 1 1 91 91 ASP N N 91 123.400 123.400 126.939 -3.539 18255
7492 1 17 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.767 -0.197 18255
7493 1 17 . 1 1 91 91 ASP C C 91 175.700 175.700 174.305 1.395 18255
7494 1 17 . 1 1 91 91 ASP CA C 91 53.900 53.900 51.991 1.909 18255
7495 1 17 . 1 1 91 91 ASP CB C 91 41.100 41.100 44.293 -3.193 18255
7496 1 17 . 1 1 91 91 ASP H H 91 8.350 8.350 8.195 0.155 18255
7497 1 17 . 1 1 92 92 TYR N N 92 120.800 120.800 119.045 1.755 18255
7498 1 17 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.292 0.168 18255
7499 1 17 . 1 1 92 92 TYR C C 92 175.200 175.200 175.356 -0.156 18255
7500 1 17 . 1 1 92 92 TYR CA C 92 58.000 58.000 59.863 -1.863 18255
7501 1 17 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.344 0.256 18255
7502 1 17 . 1 1 92 92 TYR H H 92 8.050 8.050 8.374 -0.324 18255
7503 1 17 . 1 1 93 93 ALA N N 93 124.700 124.700 125.252 -0.552 18255
7504 1 17 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.718 -0.418 18255
7505 1 17 . 1 1 93 93 ALA C C 93 177.100 177.100 175.758 1.342 18255
7506 1 17 . 1 1 93 93 ALA CA C 93 52.400 52.400 49.980 2.420 18255
7507 1 17 . 1 1 93 93 ALA CB C 93 19.300 19.300 21.013 -1.713 18255
7508 1 17 . 1 1 93 93 ALA H H 93 8.170 8.170 8.310 -0.140 18255
7509 1 17 . 1 1 94 94 VAL N N 94 119.400 119.400 121.098 -1.698 18255
7510 1 17 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.941 0.109 18255
7511 1 17 . 1 1 94 94 VAL C C 94 175.100 175.100 176.557 -1.457 18255
7512 1 17 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.764 -0.364 18255
7513 1 17 . 1 1 94 94 VAL CB C 94 32.300 32.300 30.992 1.308 18255
7514 1 17 . 1 1 94 94 VAL H H 94 8.000 8.000 8.351 -0.351 18255
7515 1 18 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.288 -0.328 18255
7516 1 18 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.391 -0.691 18255
7517 1 18 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.428 0.272 18255
7518 1 18 . 1 1 8 8 HIS C C 8 175.200 175.200 173.779 1.421 18255
7519 1 18 . 1 1 8 8 HIS CA C 8 56.600 56.600 54.790 1.810 18255
7520 1 18 . 1 1 8 8 HIS CB C 8 30.800 30.800 29.061 1.739 18255
7521 1 18 . 1 1 9 9 MET N N 9 121.800 121.800 127.074 -5.274 18255
7522 1 18 . 1 1 9 9 MET C C 9 176.400 176.400 177.062 -0.662 18255
7523 1 18 . 1 1 9 9 MET CA C 9 55.800 55.800 55.232 0.568 18255
7524 1 18 . 1 1 9 9 MET CB C 9 32.800 32.800 34.097 -1.297 18255
7525 1 18 . 1 1 9 9 MET H H 9 8.470 8.470 8.211 0.259 18255
7526 1 18 . 1 1 10 10 GLY N N 10 109.800 109.800 107.326 2.474 18255
7527 1 18 . 1 1 10 10 GLY C C 10 174.100 174.100 176.432 -2.332 18255
7528 1 18 . 1 1 10 10 GLY CA C 10 45.300 45.300 46.725 -1.425 18255
7529 1 18 . 1 1 10 10 GLY H H 10 8.490 8.490 8.449 0.041 18255
7530 1 18 . 1 1 11 11 THR N N 11 113.600 113.600 119.460 -5.860 18255
7531 1 18 . 1 1 11 11 THR HA H 11 3.710 3.710 4.093 -0.383 18255
7532 1 18 . 1 1 11 11 THR C C 11 174.600 174.600 174.866 -0.266 18255
7533 1 18 . 1 1 11 11 THR CA C 11 62.400 62.400 65.135 -2.736 18255
7534 1 18 . 1 1 11 11 THR CB C 11 70.100 70.100 69.193 0.907 18255
7535 1 18 . 1 1 11 11 THR H H 11 8.100 8.100 8.048 0.052 18255
7536 1 18 . 1 1 12 12 LEU N N 12 123.900 123.900 117.340 6.560 18255
7537 1 18 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.497 -0.197 18255
7538 1 18 . 1 1 12 12 LEU C C 12 177.400 177.400 174.521 2.879 18255
7539 1 18 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.129 1.471 18255
7540 1 18 . 1 1 12 12 LEU CB C 12 42.100 42.100 44.301 -2.201 18255
7541 1 18 . 1 1 12 12 LEU H H 12 8.350 8.350 7.814 0.536 18255
7542 1 18 . 1 1 13 13 GLU N N 13 121.300 121.300 120.336 0.964 18255
7543 1 18 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.277 -0.087 18255
7544 1 18 . 1 1 13 13 GLU C C 13 176.200 176.200 175.980 0.220 18255
7545 1 18 . 1 1 13 13 GLU CA C 13 56.900 56.900 57.300 -0.400 18255
7546 1 18 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.338 -0.338 18255
7547 1 18 . 1 1 13 13 GLU H H 13 8.420 8.420 8.319 0.101 18255
7548 1 18 . 1 1 14 14 ALA N N 14 124.100 124.100 128.641 -4.541 18255
7549 1 18 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.576 -0.316 18255
7550 1 18 . 1 1 14 14 ALA C C 14 177.700 177.700 176.635 1.065 18255
7551 1 18 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.185 0.515 18255
7552 1 18 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.958 -0.858 18255
7553 1 18 . 1 1 14 14 ALA H H 14 8.260 8.260 8.563 -0.303 18255
7554 1 18 . 1 1 15 15 GLN N N 15 119.100 119.100 119.552 -0.452 18255
7555 1 18 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.561 -0.201 18255
7556 1 18 . 1 1 15 15 GLN C C 15 176.200 176.200 174.554 1.646 18255
7557 1 18 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.501 0.399 18255
7558 1 18 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.560 -0.260 18255
7559 1 18 . 1 1 15 15 GLN H H 15 8.340 8.340 7.871 0.469 18255
7560 1 18 . 1 1 16 16 THR N N 16 114.600 114.600 117.497 -2.897 18255
7561 1 18 . 1 1 16 16 THR HA H 16 4.320 4.320 4.431 -0.111 18255
7562 1 18 . 1 1 16 16 THR C C 16 174.300 174.300 174.322 -0.022 18255
7563 1 18 . 1 1 16 16 THR CA C 16 61.900 61.900 61.216 0.684 18255
7564 1 18 . 1 1 16 16 THR CB C 16 69.700 69.700 69.223 0.477 18255
7565 1 18 . 1 1 16 16 THR H H 16 8.160 8.160 8.771 -0.611 18255
7566 1 18 . 1 1 17 17 GLN N N 17 122.200 122.200 121.659 0.541 18255
7567 1 18 . 1 1 17 17 GLN C C 17 175.800 175.800 175.198 0.602 18255
7568 1 18 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.416 0.484 18255
7569 1 18 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.865 0.735 18255
7570 1 18 . 1 1 17 17 GLN H H 17 8.410 8.410 8.121 0.289 18255
7571 1 18 . 1 1 18 18 GLY N N 18 110.100 110.100 112.546 -2.446 18255
7572 1 18 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.276 0.324 18255
7573 1 18 . 1 1 18 18 GLY H H 18 8.340 8.340 8.227 0.113 18255
7574 1 18 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.519 -0.089 18255
7575 1 18 . 1 1 19 19 PRO C C 19 177.500 177.500 177.260 0.240 18255
7576 1 18 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.602 0.898 18255
7577 1 18 . 1 1 19 19 PRO CB C 19 32.100 32.100 33.451 -1.351 18255
7578 1 18 . 1 1 20 20 GLY N N 20 109.600 109.600 108.910 0.690 18255
7579 1 18 . 1 1 20 20 GLY C C 20 174.000 174.000 174.009 -0.009 18255
7580 1 18 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.382 0.818 18255
7581 1 18 . 1 1 20 20 GLY H H 20 8.620 8.620 8.366 0.254 18255
7582 1 18 . 1 1 21 21 SER N N 21 115.300 115.300 118.793 -3.493 18255
7583 1 18 . 1 1 21 21 SER HA H 21 4.460 4.460 4.465 -0.005 18255
7584 1 18 . 1 1 21 21 SER C C 21 174.700 174.700 175.768 -1.068 18255
7585 1 18 . 1 1 21 21 SER CA C 21 58.400 58.400 57.922 0.478 18255
7586 1 18 . 1 1 21 21 SER CB C 21 64.000 64.000 64.044 -0.044 18255
7587 1 18 . 1 1 21 21 SER H H 21 8.240 8.240 8.605 -0.365 18255
7588 1 18 . 1 1 22 22 MET N N 22 122.000 122.000 119.407 2.593 18255
7589 1 18 . 1 1 22 22 MET HA H 22 4.530 4.530 4.711 -0.181 18255
7590 1 18 . 1 1 22 22 MET C C 22 176.000 176.000 175.608 0.392 18255
7591 1 18 . 1 1 22 22 MET CA C 22 55.700 55.700 56.353 -0.653 18255
7592 1 18 . 1 1 22 22 MET CB C 22 32.600 32.600 32.748 -0.148 18255
7593 1 18 . 1 1 22 22 MET H H 22 8.570 8.570 8.448 0.122 18255
7594 1 18 . 1 1 23 23 ASP N N 23 120.600 120.600 119.773 0.827 18255
7595 1 18 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.771 -0.141 18255
7596 1 18 . 1 1 23 23 ASP C C 23 175.700 175.700 175.576 0.124 18255
7597 1 18 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.905 -0.105 18255
7598 1 18 . 1 1 23 23 ASP CB C 23 41.000 41.000 42.989 -1.989 18255
7599 1 18 . 1 1 23 23 ASP H H 23 8.330 8.330 7.699 0.631 18255
7600 1 18 . 1 1 24 24 ASP N N 24 119.800 119.800 123.088 -3.288 18255
7601 1 18 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.601 0.059 18255
7602 1 18 . 1 1 24 24 ASP C C 24 175.800 175.800 175.657 0.143 18255
7603 1 18 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.657 -0.557 18255
7604 1 18 . 1 1 24 24 ASP CB C 24 41.300 41.300 41.973 -0.673 18255
7605 1 18 . 1 1 24 24 ASP H H 24 8.250 8.250 8.172 0.078 18255
7606 1 18 . 1 1 25 25 GLU N N 25 120.600 120.600 123.968 -3.368 18255
7607 1 18 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.335 -0.115 18255
7608 1 18 . 1 1 25 25 GLU C C 25 175.200 175.200 176.474 -1.274 18255
7609 1 18 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.785 -0.384 18255
7610 1 18 . 1 1 25 25 GLU CB C 25 30.500 30.500 30.453 0.047 18255
7611 1 18 . 1 1 25 25 GLU H H 25 8.190 8.190 8.693 -0.503 18255
7612 1 18 . 1 1 26 26 LEU N N 26 121.500 121.500 120.330 1.170 18255
7613 1 18 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.310 0.230 18255
7614 1 18 . 1 1 26 26 LEU C C 26 175.200 175.200 176.393 -1.193 18255
7615 1 18 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.673 -1.673 18255
7616 1 18 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.332 1.368 18255
7617 1 18 . 1 1 26 26 LEU H H 26 8.270 8.270 8.413 -0.143 18255
7618 1 18 . 1 1 27 27 TYR N N 27 119.400 119.400 120.183 -0.783 18255
7619 1 18 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.256 -0.286 18255
7620 1 18 . 1 1 27 27 TYR C C 27 173.100 173.100 175.332 -2.232 18255
7621 1 18 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.386 0.314 18255
7622 1 18 . 1 1 27 27 TYR CB C 27 43.900 43.900 41.945 1.955 18255
7623 1 18 . 1 1 27 27 TYR H H 27 9.250 9.250 8.953 0.297 18255
7624 1 18 . 1 1 28 28 PHE N N 28 114.700 114.700 120.034 -5.334 18255
7625 1 18 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.787 0.283 18255
7626 1 18 . 1 1 28 28 PHE C C 28 178.100 178.100 174.946 3.154 18255
7627 1 18 . 1 1 28 28 PHE CA C 28 57.100 57.100 57.452 -0.352 18255
7628 1 18 . 1 1 28 28 PHE CB C 28 42.500 42.500 42.976 -0.476 18255
7629 1 18 . 1 1 28 28 PHE H H 28 9.510 9.510 9.327 0.183 18255
7630 1 18 . 1 1 29 29 VAL N N 29 121.100 121.100 122.157 -1.057 18255
7631 1 18 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.662 -0.182 18255
7632 1 18 . 1 1 29 29 VAL C C 29 175.200 175.200 175.442 -0.242 18255
7633 1 18 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.787 1.213 18255
7634 1 18 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.570 0.330 18255
7635 1 18 . 1 1 29 29 VAL H H 29 9.110 9.110 8.716 0.394 18255
7636 1 18 . 1 1 30 30 VAL N N 30 119.800 119.800 121.667 -1.867 18255
7637 1 18 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.625 -0.075 18255
7638 1 18 . 1 1 30 30 VAL C C 30 173.800 173.800 174.397 -0.597 18255
7639 1 18 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.860 -0.860 18255
7640 1 18 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.104 -0.004 18255
7641 1 18 . 1 1 30 30 VAL H H 30 8.890 8.890 9.087 -0.197 18255
7642 1 18 . 1 1 31 31 ARG N N 31 119.700 119.700 117.378 2.322 18255
7643 1 18 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.741 0.449 18255
7644 1 18 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.040 -1.540 18255
7645 1 18 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.077 1.023 18255
7646 1 18 . 1 1 31 31 ARG H H 31 8.980 8.980 9.046 -0.066 18255
7647 1 18 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.577 -0.337 18255
7648 1 18 . 1 1 32 32 ASN C C 32 176.600 176.600 174.307 2.293 18255
7649 1 18 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.970 -3.270 18255
7650 1 18 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.290 -3.590 18255
7651 1 18 . 1 1 33 33 ASN N N 33 114.800 114.800 118.748 -3.948 18255
7652 1 18 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.322 -0.032 18255
7653 1 18 . 1 1 33 33 ASN C C 33 175.600 175.600 175.187 0.413 18255
7654 1 18 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.081 0.419 18255
7655 1 18 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.768 0.032 18255
7656 1 18 . 1 1 33 33 ASN H H 33 7.760 7.760 8.809 -1.049 18255
7657 1 18 . 1 1 34 34 GLU N N 34 116.900 116.900 116.248 0.652 18255
7658 1 18 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.370 -0.060 18255
7659 1 18 . 1 1 34 34 GLU C C 34 176.200 176.200 177.235 -1.035 18255
7660 1 18 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.162 -0.262 18255
7661 1 18 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.874 -0.374 18255
7662 1 18 . 1 1 34 34 GLU H H 34 7.340 7.340 8.057 -0.717 18255
7663 1 18 . 1 1 35 35 GLY N N 35 107.000 107.000 109.843 -2.843 18255
7664 1 18 . 1 1 35 35 GLY C C 35 173.400 173.400 173.468 -0.068 18255
7665 1 18 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.656 -0.256 18255
7666 1 18 . 1 1 35 35 GLY H H 35 7.720 7.720 8.385 -0.665 18255
7667 1 18 . 1 1 36 36 GLN N N 36 117.700 117.700 116.559 1.141 18255
7668 1 18 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.953 0.327 18255
7669 1 18 . 1 1 36 36 GLN CA C 36 54.500 54.500 53.676 0.824 18255
7670 1 18 . 1 1 36 36 GLN CB C 36 29.500 29.500 31.135 -1.635 18255
7671 1 18 . 1 1 36 36 GLN H H 36 7.570 7.570 7.276 0.294 18255
7672 1 18 . 1 1 37 37 TYR C C 37 176.300 176.300 175.146 1.154 18255
7673 1 18 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.803 -0.303 18255
7674 1 18 . 1 1 37 37 TYR CB C 37 42.800 42.800 41.348 1.452 18255
7675 1 18 . 1 1 38 38 SER N N 38 114.700 114.700 115.100 -0.400 18255
7676 1 18 . 1 1 38 38 SER HA H 38 5.770 5.770 4.940 0.830 18255
7677 1 18 . 1 1 38 38 SER C C 38 173.100 173.100 172.769 0.331 18255
7678 1 18 . 1 1 38 38 SER CA C 38 57.300 57.300 57.720 -0.420 18255
7679 1 18 . 1 1 38 38 SER CB C 38 64.400 64.400 66.502 -2.102 18255
7680 1 18 . 1 1 38 38 SER H H 38 9.230 9.230 8.920 0.310 18255
7681 1 18 . 1 1 39 39 VAL N N 39 114.000 114.000 116.045 -2.045 18255
7682 1 18 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.311 0.389 18255
7683 1 18 . 1 1 39 39 VAL C C 39 175.200 175.200 174.522 0.678 18255
7684 1 18 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.750 -0.850 18255
7685 1 18 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.119 -1.319 18255
7686 1 18 . 1 1 39 39 VAL H H 39 8.430 8.430 8.600 -0.170 18255
7687 1 18 . 1 1 40 40 TRP N N 40 126.600 126.600 127.331 -0.731 18255
7688 1 18 . 1 1 40 40 TRP C C 40 174.000 174.000 173.624 0.376 18255
7689 1 18 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.528 -0.028 18255
7690 1 18 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.633 2.067 18255
7691 1 18 . 1 1 40 40 TRP H H 40 9.590 9.590 9.352 0.238 18255
7692 1 18 . 1 1 41 41 MET N N 41 127.700 127.700 125.126 2.574 18255
7693 1 18 . 1 1 41 41 MET HA H 41 3.470 3.470 3.416 0.054 18255
7694 1 18 . 1 1 41 41 MET C C 41 175.000 175.000 174.668 0.332 18255
7695 1 18 . 1 1 41 41 MET CA C 41 56.900 56.900 55.522 1.378 18255
7696 1 18 . 1 1 41 41 MET CB C 41 33.800 33.800 32.572 1.228 18255
7697 1 18 . 1 1 41 41 MET H H 41 7.860 7.860 7.666 0.194 18255
7698 1 18 . 1 1 42 42 ASP N N 42 123.400 123.400 126.941 -3.541 18255
7699 1 18 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.682 -0.162 18255
7700 1 18 . 1 1 42 42 ASP C C 42 176.800 176.800 177.361 -0.561 18255
7701 1 18 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.763 -0.263 18255
7702 1 18 . 1 1 42 42 ASP CB C 42 41.500 41.500 42.328 -0.828 18255
7703 1 18 . 1 1 42 42 ASP H H 42 8.290 8.290 8.306 -0.016 18255
7704 1 18 . 1 1 43 43 GLY N N 43 113.300 113.300 111.372 1.928 18255
7705 1 18 . 1 1 43 43 GLY C C 43 174.000 174.000 173.790 0.210 18255
7706 1 18 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.457 -0.157 18255
7707 1 18 . 1 1 43 43 GLY H H 43 8.350 8.350 8.628 -0.278 18255
7708 1 18 . 1 1 44 44 ARG N N 44 119.600 119.600 122.880 -3.280 18255
7709 1 18 . 1 1 44 44 ARG C C 44 176.600 176.600 176.185 0.415 18255
7710 1 18 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.927 -0.127 18255
7711 1 18 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.246 0.254 18255
7712 1 18 . 1 1 44 44 ARG H H 44 7.560 7.560 7.649 -0.089 18255
7713 1 18 . 1 1 45 45 SER N N 45 121.000 121.000 118.644 2.356 18255
7714 1 18 . 1 1 45 45 SER HA H 45 4.310 4.310 4.533 -0.223 18255
7715 1 18 . 1 1 45 45 SER C C 45 174.300 174.300 174.531 -0.231 18255
7716 1 18 . 1 1 45 45 SER CA C 45 59.400 59.400 58.417 0.983 18255
7717 1 18 . 1 1 45 45 SER CB C 45 63.200 63.200 63.749 -0.549 18255
7718 1 18 . 1 1 45 45 SER H H 45 8.830 8.830 8.572 0.258 18255
7719 1 18 . 1 1 46 46 LEU N N 46 127.900 127.900 124.120 3.780 18255
7720 1 18 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.233 -0.383 18255
7721 1 18 . 1 1 46 46 LEU CA C 46 53.000 53.000 51.747 1.253 18255
7722 1 18 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.446 -0.246 18255
7723 1 18 . 1 1 46 46 LEU H H 46 8.610 8.610 8.156 0.454 18255
7724 1 18 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.266 -0.086 18255
7725 1 18 . 1 1 47 47 PRO C C 47 175.700 175.700 176.008 -0.308 18255
7726 1 18 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.546 -0.746 18255
7727 1 18 . 1 1 47 47 PRO CB C 47 31.100 31.100 31.946 -0.846 18255
7728 1 18 . 1 1 48 48 ALA N N 48 123.600 123.600 124.409 -0.809 18255
7729 1 18 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.127 -0.027 18255
7730 1 18 . 1 1 48 48 ALA C C 48 178.800 178.800 178.545 0.255 18255
7731 1 18 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.895 -0.396 18255
7732 1 18 . 1 1 48 48 ALA CB C 48 18.200 18.200 18.715 -0.515 18255
7733 1 18 . 1 1 48 48 ALA H H 48 8.260 8.260 8.263 -0.003 18255
7734 1 18 . 1 1 49 49 GLY N N 49 110.200 110.200 111.734 -1.534 18255
7735 1 18 . 1 1 49 49 GLY C C 49 173.800 173.800 174.417 -0.617 18255
7736 1 18 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.568 0.532 18255
7737 1 18 . 1 1 49 49 GLY H H 49 8.720 8.720 8.446 0.274 18255
7738 1 18 . 1 1 50 50 TRP N N 50 119.900 119.900 122.988 -3.088 18255
7739 1 18 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.688 -0.018 18255
7740 1 18 . 1 1 50 50 TRP C C 50 174.900 174.900 176.683 -1.783 18255
7741 1 18 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.676 -1.476 18255
7742 1 18 . 1 1 50 50 TRP CB C 50 30.400 30.400 29.866 0.534 18255
7743 1 18 . 1 1 50 50 TRP H H 50 7.640 7.640 7.969 -0.329 18255
7744 1 18 . 1 1 51 51 GLU N N 51 118.200 118.200 123.935 -5.735 18255
7745 1 18 . 1 1 51 51 GLU C C 51 175.400 175.400 175.771 -0.371 18255
7746 1 18 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.681 -0.382 18255
7747 1 18 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.764 0.836 18255
7748 1 18 . 1 1 51 51 GLU H H 51 8.650 8.650 9.198 -0.548 18255
7749 1 18 . 1 1 52 52 THR N N 52 112.200 112.200 112.843 -0.643 18255
7750 1 18 . 1 1 52 52 THR C C 52 174.800 174.800 173.681 1.119 18255
7751 1 18 . 1 1 52 52 THR CA C 52 62.000 62.000 60.306 1.694 18255
7752 1 18 . 1 1 52 52 THR CB C 52 70.000 70.000 69.966 0.034 18255
7753 1 18 . 1 1 52 52 THR H H 52 8.450 8.450 8.328 0.122 18255
7754 1 18 . 1 1 53 53 VAL N N 53 122.300 122.300 122.142 0.158 18255
7755 1 18 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.456 -0.186 18255
7756 1 18 . 1 1 53 53 VAL C C 53 176.200 176.200 174.497 1.703 18255
7757 1 18 . 1 1 53 53 VAL CA C 53 61.300 61.300 61.623 -0.323 18255
7758 1 18 . 1 1 53 53 VAL CB C 53 33.000 33.000 36.502 -3.502 18255
7759 1 18 . 1 1 53 53 VAL H H 53 8.800 8.800 8.920 -0.120 18255
7760 1 18 . 1 1 54 54 GLY N N 54 115.400 115.400 110.024 5.376 18255
7761 1 18 . 1 1 54 54 GLY C C 54 173.100 173.100 173.647 -0.547 18255
7762 1 18 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.794 0.107 18255
7763 1 18 . 1 1 54 54 GLY H H 54 8.830 8.830 8.123 0.707 18255
7764 1 18 . 1 1 55 55 GLU N N 55 119.000 119.000 122.382 -3.382 18255
7765 1 18 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.345 0.375 18255
7766 1 18 . 1 1 55 55 GLU CB C 55 29.600 29.600 30.197 -0.597 18255
7767 1 18 . 1 1 55 55 GLU H H 55 8.390 8.390 8.475 -0.085 18255
7768 1 18 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.155 0.265 18255
7769 1 18 . 1 1 56 56 PRO C C 56 176.200 176.200 175.268 0.932 18255
7770 1 18 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.622 0.278 18255
7771 1 18 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.801 0.699 18255
7772 1 18 . 1 1 57 57 ALA N N 57 124.300 124.300 125.595 -1.295 18255
7773 1 18 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.656 -0.026 18255
7774 1 18 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.070 0.230 18255
7775 1 18 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.212 0.988 18255
7776 1 18 . 1 1 57 57 ALA H H 57 9.580 9.580 8.554 1.026 18255
7777 1 18 . 1 1 58 58 THR N N 58 108.700 108.700 113.571 -4.871 18255
7778 1 18 . 1 1 58 58 THR C C 58 175.700 175.700 176.370 -0.670 18255
7779 1 18 . 1 1 58 58 THR CA C 58 62.200 62.200 62.325 -0.125 18255
7780 1 18 . 1 1 58 58 THR CB C 58 70.600 70.600 69.483 1.117 18255
7781 1 18 . 1 1 58 58 THR H H 58 8.070 8.070 8.464 -0.394 18255
7782 1 18 . 1 1 59 59 LYS N N 59 123.400 123.400 125.407 -2.007 18255
7783 1 18 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.530 -0.360 18255
7784 1 18 . 1 1 59 59 LYS C C 59 178.100 178.100 178.535 -0.435 18255
7785 1 18 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.294 2.006 18255
7786 1 18 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.907 -0.206 18255
7787 1 18 . 1 1 59 59 LYS H H 59 9.420 9.420 8.475 0.945 18255
7788 1 18 . 1 1 60 60 GLN N N 60 114.800 114.800 117.463 -2.663 18255
7789 1 18 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.917 -0.047 18255
7790 1 18 . 1 1 60 60 GLN C C 60 178.600 178.600 178.435 0.165 18255
7791 1 18 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.040 0.160 18255
7792 1 18 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.354 -0.254 18255
7793 1 18 . 1 1 60 60 GLN H H 60 8.610 8.610 7.921 0.689 18255
7794 1 18 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.087 -0.057 18255
7795 1 18 . 1 1 61 61 GLN C C 61 179.700 179.700 178.465 1.235 18255
7796 1 18 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.490 0.410 18255
7797 1 18 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.433 0.268 18255
7798 1 18 . 1 1 61 61 GLN H H 61 7.690 7.690 7.817 -0.127 18255
7799 1 18 . 1 1 62 62 CYS N N 62 118.800 118.800 117.780 1.020 18255
7800 1 18 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.153 -0.263 18255
7801 1 18 . 1 1 62 62 CYS C C 62 176.400 176.400 177.298 -0.898 18255
7802 1 18 . 1 1 62 62 CYS CA C 62 64.800 64.800 62.135 2.665 18255
7803 1 18 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.911 -0.711 18255
7804 1 18 . 1 1 62 62 CYS H H 62 8.460 8.460 8.212 0.248 18255
7805 1 18 . 1 1 63 63 LEU N N 63 119.200 119.200 119.872 -0.672 18255
7806 1 18 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.175 -0.285 18255
7807 1 18 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.714 0.386 18255
7808 1 18 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.533 0.367 18255
7809 1 18 . 1 1 63 63 LEU H H 63 8.350 8.350 8.192 0.158 18255
7810 1 18 . 1 1 64 64 GLN N N 64 119.000 119.000 119.702 -0.702 18255
7811 1 18 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.875 0.155 18255
7812 1 18 . 1 1 64 64 GLN C C 64 178.400 178.400 178.366 0.034 18255
7813 1 18 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.234 -0.635 18255
7814 1 18 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.536 -0.236 18255
7815 1 18 . 1 1 64 64 GLN H H 64 7.910 7.910 7.980 -0.070 18255
7816 1 18 . 1 1 65 65 ARG N N 65 120.000 120.000 118.535 1.465 18255
7817 1 18 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.061 -0.061 18255
7818 1 18 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.492 -0.192 18255
7819 1 18 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.188 -0.288 18255
7820 1 18 . 1 1 65 65 ARG H H 65 7.940 7.940 8.003 -0.063 18255
7821 1 18 . 1 1 66 66 ILE HA H 66 3.370 3.370 4.135 -0.765 18255
7822 1 18 . 1 1 66 66 ILE C C 66 176.700 176.700 178.014 -1.314 18255
7823 1 18 . 1 1 66 66 ILE CA C 66 65.500 65.500 63.952 1.548 18255
7824 1 18 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.691 0.209 18255
7825 1 18 . 1 1 67 67 GLU N N 67 118.400 118.400 120.761 -2.361 18255
7826 1 18 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.116 -0.166 18255
7827 1 18 . 1 1 67 67 GLU C C 67 178.600 178.600 179.115 -0.515 18255
7828 1 18 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.764 0.536 18255
7829 1 18 . 1 1 67 67 GLU CB C 67 29.300 29.300 28.760 0.540 18255
7830 1 18 . 1 1 67 67 GLU H H 67 7.600 7.600 8.238 -0.638 18255
7831 1 18 . 1 1 68 68 GLN N N 68 116.400 116.400 116.398 0.002 18255
7832 1 18 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.206 -0.086 18255
7833 1 18 . 1 1 68 68 GLN C C 68 177.400 177.400 177.202 0.198 18255
7834 1 18 . 1 1 68 68 GLN CA C 68 57.600 57.600 57.251 0.349 18255
7835 1 18 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.901 -0.301 18255
7836 1 18 . 1 1 68 68 GLN H H 68 7.620 7.620 7.695 -0.075 18255
7837 1 18 . 1 1 69 69 LEU N N 69 120.000 120.000 118.470 1.530 18255
7838 1 18 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.197 -0.107 18255
7839 1 18 . 1 1 69 69 LEU C C 69 176.600 176.600 177.803 -1.203 18255
7840 1 18 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.342 0.458 18255
7841 1 18 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.571 -0.671 18255
7842 1 18 . 1 1 69 69 LEU H H 69 7.900 7.900 7.691 0.209 18255
7843 1 18 . 1 1 70 70 TRP N N 70 119.200 119.200 116.516 2.684 18255
7844 1 18 . 1 1 70 70 TRP C C 70 177.100 177.100 178.889 -1.789 18255
7845 1 18 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.256 -1.256 18255
7846 1 18 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.101 -0.801 18255
7847 1 18 . 1 1 70 70 TRP H H 70 8.120 8.120 8.094 0.026 18255
7848 1 18 . 1 1 71 71 THR N N 71 114.500 114.500 113.488 1.012 18255
7849 1 18 . 1 1 71 71 THR HA H 71 4.160 4.160 4.208 -0.048 18255
7850 1 18 . 1 1 71 71 THR C C 71 174.700 174.700 174.860 -0.160 18255
7851 1 18 . 1 1 71 71 THR CA C 71 63.700 63.700 65.211 -1.511 18255
7852 1 18 . 1 1 71 71 THR CB C 71 69.500 69.500 68.184 1.316 18255
7853 1 18 . 1 1 71 71 THR H H 71 7.960 7.960 7.740 0.220 18255
7854 1 18 . 1 1 72 72 ASP N N 72 120.700 120.700 118.529 2.171 18255
7855 1 18 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.384 0.176 18255
7856 1 18 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.826 -0.826 18255
7857 1 18 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.348 0.452 18255
7858 1 18 . 1 1 72 72 ASP H H 72 8.140 8.140 8.537 -0.397 18255
7859 1 18 . 1 1 74 74 VAL N N 74 121.700 121.700 125.341 -3.641 18255
7860 1 18 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.534 -0.194 18255
7861 1 18 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.659 1.441 18255
7862 1 18 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.815 -1.315 18255
7863 1 18 . 1 1 74 74 VAL H H 74 7.950 7.950 8.134 -0.184 18255
7864 1 18 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.584 -0.204 18255
7865 1 18 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.440 0.860 18255
7866 1 18 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.416 -0.215 18255
7867 1 18 . 1 1 76 76 ALA N N 76 124.200 124.200 121.476 2.724 18255
7868 1 18 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.082 0.058 18255
7869 1 18 . 1 1 76 76 ALA C C 76 178.400 178.400 179.374 -0.974 18255
7870 1 18 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.719 -0.919 18255
7871 1 18 . 1 1 76 76 ALA CB C 76 18.700 18.700 17.992 0.708 18255
7872 1 18 . 1 1 76 76 ALA H H 76 8.600 8.600 8.455 0.145 18255
7873 1 18 . 1 1 77 77 SER N N 77 112.900 112.900 114.155 -1.255 18255
7874 1 18 . 1 1 77 77 SER HA H 77 4.340 4.340 4.188 0.152 18255
7875 1 18 . 1 1 77 77 SER C C 77 175.200 175.200 176.507 -1.307 18255
7876 1 18 . 1 1 77 77 SER CA C 77 59.200 59.200 60.695 -1.495 18255
7877 1 18 . 1 1 77 77 SER CB C 77 63.200 63.200 62.525 0.675 18255
7878 1 18 . 1 1 77 77 SER H H 77 8.310 8.310 8.375 -0.065 18255
7879 1 18 . 1 1 78 78 VAL N N 78 121.700 121.700 123.709 -2.009 18255
7880 1 18 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.657 0.363 18255
7881 1 18 . 1 1 78 78 VAL C C 78 176.600 176.600 176.301 0.299 18255
7882 1 18 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.469 -2.069 18255
7883 1 18 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.724 0.576 18255
7884 1 18 . 1 1 78 78 VAL H H 78 7.810 7.810 8.084 -0.274 18255
7885 1 18 . 1 1 79 79 ARG N N 79 121.900 121.900 117.546 4.354 18255
7886 1 18 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.349 -0.189 18255
7887 1 18 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.355 -1.055 18255
7888 1 18 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.824 0.676 18255
7889 1 18 . 1 1 79 79 ARG H H 79 8.100 8.100 7.915 0.185 18255
7890 1 18 . 1 1 80 80 GLU N N 80 119.600 119.600 118.527 1.073 18255
7891 1 18 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.521 0.479 18255
7892 1 18 . 1 1 80 80 GLU H H 80 8.260 8.260 7.782 0.478 18255
7893 1 18 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.634 -0.084 18255
7894 1 18 . 1 1 81 81 HIS C C 81 175.600 175.600 175.373 0.227 18255
7895 1 18 . 1 1 81 81 HIS CA C 81 56.200 56.200 56.440 -0.240 18255
7896 1 18 . 1 1 81 81 HIS CB C 81 30.400 30.400 32.016 -1.615 18255
7897 1 18 . 1 1 82 82 LEU N N 82 121.500 121.500 122.821 -1.321 18255
7898 1 18 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.389 -0.129 18255
7899 1 18 . 1 1 82 82 LEU C C 82 177.200 177.200 175.354 1.846 18255
7900 1 18 . 1 1 82 82 LEU CA C 82 55.600 55.600 53.779 1.821 18255
7901 1 18 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.898 0.202 18255
7902 1 18 . 1 1 82 82 LEU H H 82 8.120 8.120 8.127 -0.007 18255
7903 1 18 . 1 1 83 83 ASN N N 83 118.300 118.300 123.385 -5.085 18255
7904 1 18 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.653 -0.013 18255
7905 1 18 . 1 1 83 83 ASN CA C 83 53.500 53.500 52.965 0.535 18255
7906 1 18 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.767 -1.167 18255
7907 1 18 . 1 1 83 83 ASN H H 83 8.400 8.400 8.062 0.338 18255
7908 1 18 . 1 1 85 85 HIS C C 85 174.900 174.900 174.844 0.056 18255
7909 1 18 . 1 1 85 85 HIS CA C 85 56.300 56.300 54.154 2.147 18255
7910 1 18 . 1 1 85 85 HIS CB C 85 30.600 30.600 31.876 -1.276 18255
7911 1 18 . 1 1 86 86 SER N N 86 116.700 116.700 118.796 -2.096 18255
7912 1 18 . 1 1 86 86 SER C C 86 174.100 174.100 174.396 -0.296 18255
7913 1 18 . 1 1 86 86 SER CA C 86 58.400 58.400 57.699 0.701 18255
7914 1 18 . 1 1 86 86 SER CB C 86 64.300 64.300 62.102 2.198 18255
7915 1 18 . 1 1 86 86 SER H H 86 8.220 8.220 8.815 -0.595 18255
7916 1 18 . 1 1 87 87 GLY N N 87 110.400 110.400 111.797 -1.397 18255
7917 1 18 . 1 1 87 87 GLY CA C 87 44.500 44.500 45.002 -0.502 18255
7918 1 18 . 1 1 87 87 GLY H H 87 8.310 8.310 7.562 0.748 18255
7919 1 18 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.584 -0.214 18255
7920 1 18 . 1 1 88 88 PRO C C 88 177.400 177.400 176.570 0.830 18255
7921 1 18 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.596 0.604 18255
7922 1 18 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.414 -0.414 18255
7923 1 18 . 1 1 89 89 GLY N N 89 109.300 109.300 106.732 2.568 18255
7924 1 18 . 1 1 89 89 GLY C C 89 173.800 173.800 173.820 -0.020 18255
7925 1 18 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.705 0.495 18255
7926 1 18 . 1 1 89 89 GLY H H 89 8.500 8.500 8.194 0.306 18255
7927 1 18 . 1 1 90 90 ILE N N 90 119.600 119.600 124.639 -5.039 18255
7928 1 18 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.156 -0.076 18255
7929 1 18 . 1 1 90 90 ILE C C 90 175.400 175.400 175.516 -0.116 18255
7930 1 18 . 1 1 90 90 ILE CA C 90 61.000 61.000 62.344 -1.344 18255
7931 1 18 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.552 1.348 18255
7932 1 18 . 1 1 90 90 ILE H H 90 7.910 7.910 8.481 -0.571 18255
7933 1 18 . 1 1 91 91 ASP N N 91 123.400 123.400 126.501 -3.101 18255
7934 1 18 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.903 -0.333 18255
7935 1 18 . 1 1 91 91 ASP C C 91 175.700 175.700 174.782 0.918 18255
7936 1 18 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.172 0.728 18255
7937 1 18 . 1 1 91 91 ASP CB C 91 41.100 41.100 43.841 -2.741 18255
7938 1 18 . 1 1 91 91 ASP H H 91 8.350 8.350 8.253 0.097 18255
7939 1 18 . 1 1 92 92 TYR N N 92 120.800 120.800 117.845 2.955 18255
7940 1 18 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.882 -0.422 18255
7941 1 18 . 1 1 92 92 TYR C C 92 175.200 175.200 174.459 0.741 18255
7942 1 18 . 1 1 92 92 TYR CA C 92 58.000 58.000 55.752 2.248 18255
7943 1 18 . 1 1 92 92 TYR CB C 92 38.600 38.600 39.392 -0.792 18255
7944 1 18 . 1 1 92 92 TYR H H 92 8.050 8.050 7.826 0.224 18255
7945 1 18 . 1 1 93 93 ALA N N 93 124.700 124.700 123.750 0.950 18255
7946 1 18 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.491 -0.191 18255
7947 1 18 . 1 1 93 93 ALA C C 93 177.100 177.100 176.677 0.423 18255
7948 1 18 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.339 1.061 18255
7949 1 18 . 1 1 93 93 ALA CB C 93 19.300 19.300 17.985 1.315 18255
7950 1 18 . 1 1 93 93 ALA H H 93 8.170 8.170 8.652 -0.482 18255
7951 1 18 . 1 1 94 94 VAL N N 94 119.400 119.400 120.501 -1.101 18255
7952 1 18 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.946 0.104 18255
7953 1 18 . 1 1 94 94 VAL C C 94 175.100 175.100 175.142 -0.042 18255
7954 1 18 . 1 1 94 94 VAL CA C 94 62.400 62.400 63.356 -0.956 18255
7955 1 18 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.969 0.331 18255
7956 1 18 . 1 1 94 94 VAL H H 94 8.000 8.000 8.615 -0.615 18255
7957 1 19 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.115 -0.155 18255
7958 1 19 . 1 1 2 2 ALA CA C 2 51.700 51.700 53.076 -1.376 18255
7959 1 19 . 1 1 2 2 ALA CB C 2 19.700 19.700 17.877 1.823 18255
7960 1 19 . 1 1 8 8 HIS C C 8 175.200 175.200 174.350 0.850 18255
7961 1 19 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.453 1.147 18255
7962 1 19 . 1 1 8 8 HIS CB C 8 30.800 30.800 31.052 -0.252 18255
7963 1 19 . 1 1 9 9 MET N N 9 121.800 121.800 123.681 -1.881 18255
7964 1 19 . 1 1 9 9 MET C C 9 176.400 176.400 176.911 -0.511 18255
7965 1 19 . 1 1 9 9 MET CA C 9 55.800 55.800 56.980 -1.180 18255
7966 1 19 . 1 1 9 9 MET CB C 9 32.800 32.800 32.898 -0.098 18255
7967 1 19 . 1 1 9 9 MET H H 9 8.470 8.470 8.471 -0.001 18255
7968 1 19 . 1 1 10 10 GLY N N 10 109.800 109.800 105.598 4.202 18255
7969 1 19 . 1 1 10 10 GLY C C 10 174.100 174.100 175.873 -1.773 18255
7970 1 19 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.092 0.208 18255
7971 1 19 . 1 1 10 10 GLY H H 10 8.490 8.490 8.012 0.478 18255
7972 1 19 . 1 1 11 11 THR N N 11 113.600 113.600 114.024 -0.424 18255
7973 1 19 . 1 1 11 11 THR HA H 11 3.710 3.710 4.687 -0.977 18255
7974 1 19 . 1 1 11 11 THR C C 11 174.600 174.600 175.217 -0.617 18255
7975 1 19 . 1 1 11 11 THR CA C 11 62.400 62.400 63.453 -1.053 18255
7976 1 19 . 1 1 11 11 THR CB C 11 70.100 70.100 69.316 0.784 18255
7977 1 19 . 1 1 11 11 THR H H 11 8.100 8.100 8.101 -0.001 18255
7978 1 19 . 1 1 12 12 LEU N N 12 123.900 123.900 122.761 1.139 18255
7979 1 19 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.653 -0.353 18255
7980 1 19 . 1 1 12 12 LEU C C 12 177.400 177.400 175.787 1.613 18255
7981 1 19 . 1 1 12 12 LEU CA C 12 55.600 55.600 53.715 1.885 18255
7982 1 19 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.838 -1.738 18255
7983 1 19 . 1 1 12 12 LEU H H 12 8.350 8.350 7.829 0.521 18255
7984 1 19 . 1 1 13 13 GLU N N 13 121.300 121.300 123.396 -2.096 18255
7985 1 19 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.513 -0.323 18255
7986 1 19 . 1 1 13 13 GLU C C 13 176.200 176.200 175.724 0.476 18255
7987 1 19 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.547 1.353 18255
7988 1 19 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.744 -0.744 18255
7989 1 19 . 1 1 13 13 GLU H H 13 8.420 8.420 8.634 -0.214 18255
7990 1 19 . 1 1 14 14 ALA N N 14 124.100 124.100 126.544 -2.444 18255
7991 1 19 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.451 -0.191 18255
7992 1 19 . 1 1 14 14 ALA C C 14 177.700 177.700 178.220 -0.520 18255
7993 1 19 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.021 0.679 18255
7994 1 19 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.770 -0.670 18255
7995 1 19 . 1 1 14 14 ALA H H 14 8.260 8.260 8.551 -0.291 18255
7996 1 19 . 1 1 15 15 GLN N N 15 119.100 119.100 124.505 -5.405 18255
7997 1 19 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.513 -0.153 18255
7998 1 19 . 1 1 15 15 GLN C C 15 176.200 176.200 176.273 -0.073 18255
7999 1 19 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.593 0.307 18255
8000 1 19 . 1 1 15 15 GLN CB C 15 29.300 29.300 26.905 2.395 18255
8001 1 19 . 1 1 15 15 GLN H H 15 8.340 8.340 8.853 -0.513 18255
8002 1 19 . 1 1 16 16 THR N N 16 114.600 114.600 114.934 -0.334 18255
8003 1 19 . 1 1 16 16 THR HA H 16 4.320 4.320 4.096 0.224 18255
8004 1 19 . 1 1 16 16 THR C C 16 174.300 174.300 175.590 -1.290 18255
8005 1 19 . 1 1 16 16 THR CA C 16 61.900 61.900 64.461 -2.561 18255
8006 1 19 . 1 1 16 16 THR CB C 16 69.700 69.700 69.172 0.528 18255
8007 1 19 . 1 1 16 16 THR H H 16 8.160 8.160 7.935 0.225 18255
8008 1 19 . 1 1 17 17 GLN N N 17 122.200 122.200 118.624 3.576 18255
8009 1 19 . 1 1 17 17 GLN C C 17 175.800 175.800 176.647 -0.847 18255
8010 1 19 . 1 1 17 17 GLN CA C 17 55.900 55.900 56.488 -0.588 18255
8011 1 19 . 1 1 17 17 GLN CB C 17 29.600 29.600 30.155 -0.555 18255
8012 1 19 . 1 1 17 17 GLN H H 17 8.410 8.410 7.768 0.642 18255
8013 1 19 . 1 1 18 18 GLY N N 18 110.100 110.100 108.479 1.621 18255
8014 1 19 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.202 0.398 18255
8015 1 19 . 1 1 18 18 GLY H H 18 8.340 8.340 8.131 0.209 18255
8016 1 19 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.455 -0.025 18255
8017 1 19 . 1 1 19 19 PRO C C 19 177.500 177.500 177.767 -0.267 18255
8018 1 19 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.733 0.766 18255
8019 1 19 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.741 0.359 18255
8020 1 19 . 1 1 20 20 GLY N N 20 109.600 109.600 109.796 -0.196 18255
8021 1 19 . 1 1 20 20 GLY C C 20 174.000 174.000 175.019 -1.019 18255
8022 1 19 . 1 1 20 20 GLY CA C 20 45.200 45.200 46.370 -1.169 18255
8023 1 19 . 1 1 20 20 GLY H H 20 8.620 8.620 7.550 1.070 18255
8024 1 19 . 1 1 21 21 SER N N 21 115.300 115.300 118.568 -3.268 18255
8025 1 19 . 1 1 21 21 SER HA H 21 4.460 4.460 4.506 -0.046 18255
8026 1 19 . 1 1 21 21 SER C C 21 174.700 174.700 174.114 0.586 18255
8027 1 19 . 1 1 21 21 SER CA C 21 58.400 58.400 58.173 0.227 18255
8028 1 19 . 1 1 21 21 SER CB C 21 64.000 64.000 63.815 0.185 18255
8029 1 19 . 1 1 21 21 SER H H 21 8.240 8.240 8.260 -0.020 18255
8030 1 19 . 1 1 22 22 MET N N 22 122.000 122.000 118.618 3.382 18255
8031 1 19 . 1 1 22 22 MET HA H 22 4.530 4.530 4.008 0.522 18255
8032 1 19 . 1 1 22 22 MET C C 22 176.000 176.000 174.976 1.024 18255
8033 1 19 . 1 1 22 22 MET CA C 22 55.700 55.700 56.614 -0.914 18255
8034 1 19 . 1 1 22 22 MET CB C 22 32.600 32.600 29.941 2.659 18255
8035 1 19 . 1 1 22 22 MET H H 22 8.570 8.570 7.934 0.636 18255
8036 1 19 . 1 1 23 23 ASP N N 23 120.600 120.600 121.565 -0.965 18255
8037 1 19 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.465 0.165 18255
8038 1 19 . 1 1 23 23 ASP C C 23 175.700 175.700 176.188 -0.488 18255
8039 1 19 . 1 1 23 23 ASP CA C 23 54.800 54.800 56.347 -1.547 18255
8040 1 19 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.338 -0.338 18255
8041 1 19 . 1 1 23 23 ASP H H 23 8.330 8.330 8.383 -0.053 18255
8042 1 19 . 1 1 24 24 ASP N N 24 119.800 119.800 119.477 0.323 18255
8043 1 19 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.670 -0.010 18255
8044 1 19 . 1 1 24 24 ASP C C 24 175.800 175.800 176.007 -0.207 18255
8045 1 19 . 1 1 24 24 ASP CA C 24 54.100 54.100 53.440 0.660 18255
8046 1 19 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.427 -1.127 18255
8047 1 19 . 1 1 24 24 ASP H H 24 8.250 8.250 8.199 0.051 18255
8048 1 19 . 1 1 25 25 GLU N N 25 120.600 120.600 121.078 -0.478 18255
8049 1 19 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.177 0.043 18255
8050 1 19 . 1 1 25 25 GLU C C 25 175.200 175.200 176.080 -0.880 18255
8051 1 19 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.743 -0.343 18255
8052 1 19 . 1 1 25 25 GLU CB C 25 30.500 30.500 28.229 2.271 18255
8053 1 19 . 1 1 25 25 GLU H H 25 8.190 8.190 8.632 -0.442 18255
8054 1 19 . 1 1 26 26 LEU N N 26 121.500 121.500 126.185 -4.685 18255
8055 1 19 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.190 0.350 18255
8056 1 19 . 1 1 26 26 LEU C C 26 175.200 175.200 176.241 -1.041 18255
8057 1 19 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.090 -1.090 18255
8058 1 19 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.696 1.004 18255
8059 1 19 . 1 1 26 26 LEU H H 26 8.270 8.270 8.135 0.135 18255
8060 1 19 . 1 1 27 27 TYR N N 27 119.400 119.400 117.677 1.723 18255
8061 1 19 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.025 -0.055 18255
8062 1 19 . 1 1 27 27 TYR C C 27 173.100 173.100 174.871 -1.771 18255
8063 1 19 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.183 -0.483 18255
8064 1 19 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.206 1.694 18255
8065 1 19 . 1 1 27 27 TYR H H 27 9.250 9.250 8.743 0.507 18255
8066 1 19 . 1 1 28 28 PHE N N 28 114.700 114.700 120.519 -5.819 18255
8067 1 19 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.912 0.158 18255
8068 1 19 . 1 1 28 28 PHE C C 28 178.100 178.100 174.463 3.637 18255
8069 1 19 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.400 0.700 18255
8070 1 19 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.377 -0.877 18255
8071 1 19 . 1 1 28 28 PHE H H 28 9.510 9.510 9.353 0.157 18255
8072 1 19 . 1 1 29 29 VAL N N 29 121.100 121.100 123.100 -2.000 18255
8073 1 19 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.619 -0.139 18255
8074 1 19 . 1 1 29 29 VAL C C 29 175.200 175.200 174.945 0.255 18255
8075 1 19 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.924 1.076 18255
8076 1 19 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.420 -0.520 18255
8077 1 19 . 1 1 29 29 VAL H H 29 9.110 9.110 8.976 0.134 18255
8078 1 19 . 1 1 30 30 VAL N N 30 119.800 119.800 120.708 -0.908 18255
8079 1 19 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.563 -0.013 18255
8080 1 19 . 1 1 30 30 VAL C C 30 173.800 173.800 174.008 -0.208 18255
8081 1 19 . 1 1 30 30 VAL CA C 30 58.000 58.000 58.972 -0.972 18255
8082 1 19 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.409 -0.309 18255
8083 1 19 . 1 1 30 30 VAL H H 30 8.890 8.890 9.177 -0.287 18255
8084 1 19 . 1 1 31 31 ARG N N 31 119.700 119.700 116.761 2.939 18255
8085 1 19 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.662 0.528 18255
8086 1 19 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.411 -1.911 18255
8087 1 19 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.215 0.884 18255
8088 1 19 . 1 1 31 31 ARG H H 31 8.980 8.980 9.029 -0.049 18255
8089 1 19 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.710 -0.470 18255
8090 1 19 . 1 1 32 32 ASN C C 32 176.600 176.600 174.480 2.120 18255
8091 1 19 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.602 -2.902 18255
8092 1 19 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.703 -4.003 18255
8093 1 19 . 1 1 33 33 ASN N N 33 114.800 114.800 118.153 -3.353 18255
8094 1 19 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.333 -0.043 18255
8095 1 19 . 1 1 33 33 ASN C C 33 175.600 175.600 174.994 0.606 18255
8096 1 19 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.479 0.021 18255
8097 1 19 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.457 0.343 18255
8098 1 19 . 1 1 33 33 ASN H H 33 7.760 7.760 8.911 -1.151 18255
8099 1 19 . 1 1 34 34 GLU N N 34 116.900 116.900 117.471 -0.571 18255
8100 1 19 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.356 -0.046 18255
8101 1 19 . 1 1 34 34 GLU C C 34 176.200 176.200 177.216 -1.016 18255
8102 1 19 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.441 -0.541 18255
8103 1 19 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.083 -0.583 18255
8104 1 19 . 1 1 34 34 GLU H H 34 7.340 7.340 7.857 -0.517 18255
8105 1 19 . 1 1 35 35 GLY N N 35 107.000 107.000 107.825 -0.825 18255
8106 1 19 . 1 1 35 35 GLY C C 35 173.400 173.400 174.298 -0.898 18255
8107 1 19 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.298 0.102 18255
8108 1 19 . 1 1 35 35 GLY H H 35 7.720 7.720 8.463 -0.743 18255
8109 1 19 . 1 1 36 36 GLN N N 36 117.700 117.700 118.521 -0.821 18255
8110 1 19 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.640 0.640 18255
8111 1 19 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.371 -0.871 18255
8112 1 19 . 1 1 36 36 GLN CB C 36 29.500 29.500 29.633 -0.133 18255
8113 1 19 . 1 1 36 36 GLN H H 36 7.570 7.570 7.436 0.134 18255
8114 1 19 . 1 1 37 37 TYR C C 37 176.300 176.300 175.206 1.094 18255
8115 1 19 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.587 -0.086 18255
8116 1 19 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.114 2.686 18255
8117 1 19 . 1 1 38 38 SER N N 38 114.700 114.700 116.336 -1.636 18255
8118 1 19 . 1 1 38 38 SER HA H 38 5.770 5.770 4.971 0.799 18255
8119 1 19 . 1 1 38 38 SER C C 38 173.100 173.100 173.138 -0.038 18255
8120 1 19 . 1 1 38 38 SER CA C 38 57.300 57.300 56.921 0.379 18255
8121 1 19 . 1 1 38 38 SER CB C 38 64.400 64.400 67.072 -2.672 18255
8122 1 19 . 1 1 38 38 SER H H 38 9.230 9.230 8.975 0.255 18255
8123 1 19 . 1 1 39 39 VAL N N 39 114.000 114.000 114.415 -0.415 18255
8124 1 19 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.270 0.430 18255
8125 1 19 . 1 1 39 39 VAL C C 39 175.200 175.200 174.473 0.727 18255
8126 1 19 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.526 -0.625 18255
8127 1 19 . 1 1 39 39 VAL CB C 39 34.800 34.800 36.158 -1.358 18255
8128 1 19 . 1 1 39 39 VAL H H 39 8.430 8.430 8.548 -0.118 18255
8129 1 19 . 1 1 40 40 TRP N N 40 126.600 126.600 127.006 -0.406 18255
8130 1 19 . 1 1 40 40 TRP C C 40 174.000 174.000 173.719 0.281 18255
8131 1 19 . 1 1 40 40 TRP CA C 40 56.500 56.500 55.854 0.646 18255
8132 1 19 . 1 1 40 40 TRP CB C 40 35.700 35.700 34.116 1.584 18255
8133 1 19 . 1 1 40 40 TRP H H 40 9.590 9.590 9.401 0.189 18255
8134 1 19 . 1 1 41 41 MET N N 41 127.700 127.700 123.545 4.155 18255
8135 1 19 . 1 1 41 41 MET HA H 41 3.470 3.470 3.309 0.161 18255
8136 1 19 . 1 1 41 41 MET C C 41 175.000 175.000 174.486 0.514 18255
8137 1 19 . 1 1 41 41 MET CA C 41 56.900 56.900 54.880 2.020 18255
8138 1 19 . 1 1 41 41 MET CB C 41 33.800 33.800 32.820 0.980 18255
8139 1 19 . 1 1 41 41 MET H H 41 7.860 7.860 7.363 0.497 18255
8140 1 19 . 1 1 42 42 ASP N N 42 123.400 123.400 126.948 -3.548 18255
8141 1 19 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.546 -0.026 18255
8142 1 19 . 1 1 42 42 ASP C C 42 176.800 176.800 177.152 -0.352 18255
8143 1 19 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.663 -0.162 18255
8144 1 19 . 1 1 42 42 ASP CB C 42 41.500 41.500 42.085 -0.585 18255
8145 1 19 . 1 1 42 42 ASP H H 42 8.290 8.290 8.030 0.260 18255
8146 1 19 . 1 1 43 43 GLY N N 43 113.300 113.300 111.269 2.031 18255
8147 1 19 . 1 1 43 43 GLY C C 43 174.000 174.000 174.539 -0.539 18255
8148 1 19 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.481 -0.181 18255
8149 1 19 . 1 1 43 43 GLY H H 43 8.350 8.350 8.489 -0.139 18255
8150 1 19 . 1 1 44 44 ARG N N 44 119.600 119.600 122.373 -2.773 18255
8151 1 19 . 1 1 44 44 ARG C C 44 176.600 176.600 175.881 0.719 18255
8152 1 19 . 1 1 44 44 ARG CA C 44 54.800 54.800 53.932 0.868 18255
8153 1 19 . 1 1 44 44 ARG CB C 44 31.500 31.500 30.200 1.300 18255
8154 1 19 . 1 1 44 44 ARG H H 44 7.560 7.560 7.616 -0.056 18255
8155 1 19 . 1 1 45 45 SER N N 45 121.000 121.000 120.530 0.470 18255
8156 1 19 . 1 1 45 45 SER HA H 45 4.310 4.310 4.420 -0.110 18255
8157 1 19 . 1 1 45 45 SER C C 45 174.300 174.300 174.303 -0.003 18255
8158 1 19 . 1 1 45 45 SER CA C 45 59.400 59.400 58.750 0.650 18255
8159 1 19 . 1 1 45 45 SER CB C 45 63.200 63.200 63.598 -0.398 18255
8160 1 19 . 1 1 45 45 SER H H 45 8.830 8.830 8.577 0.253 18255
8161 1 19 . 1 1 46 46 LEU N N 46 127.900 127.900 127.039 0.861 18255
8162 1 19 . 1 1 46 46 LEU HA H 46 3.850 3.850 3.918 -0.068 18255
8163 1 19 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.653 0.347 18255
8164 1 19 . 1 1 46 46 LEU CB C 46 42.200 42.200 40.692 1.508 18255
8165 1 19 . 1 1 46 46 LEU H H 46 8.610 8.610 8.210 0.400 18255
8166 1 19 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.333 -0.153 18255
8167 1 19 . 1 1 47 47 PRO C C 47 175.700 175.700 176.359 -0.659 18255
8168 1 19 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.610 -0.810 18255
8169 1 19 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.120 -1.020 18255
8170 1 19 . 1 1 48 48 ALA N N 48 123.600 123.600 125.253 -1.653 18255
8171 1 19 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.181 -0.081 18255
8172 1 19 . 1 1 48 48 ALA C C 48 178.800 178.800 178.359 0.441 18255
8173 1 19 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.854 -0.354 18255
8174 1 19 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.163 -0.963 18255
8175 1 19 . 1 1 48 48 ALA H H 48 8.260 8.260 8.365 -0.105 18255
8176 1 19 . 1 1 49 49 GLY N N 49 110.200 110.200 111.614 -1.414 18255
8177 1 19 . 1 1 49 49 GLY C C 49 173.800 173.800 174.304 -0.504 18255
8178 1 19 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.531 0.569 18255
8179 1 19 . 1 1 49 49 GLY H H 49 8.720 8.720 8.300 0.420 18255
8180 1 19 . 1 1 50 50 TRP N N 50 119.900 119.900 121.384 -1.484 18255
8181 1 19 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.760 -0.090 18255
8182 1 19 . 1 1 50 50 TRP C C 50 174.900 174.900 175.463 -0.563 18255
8183 1 19 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.237 -1.037 18255
8184 1 19 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.801 -0.401 18255
8185 1 19 . 1 1 50 50 TRP H H 50 7.640 7.640 8.025 -0.385 18255
8186 1 19 . 1 1 51 51 GLU N N 51 118.200 118.200 117.273 0.927 18255
8187 1 19 . 1 1 51 51 GLU C C 51 175.400 175.400 175.330 0.070 18255
8188 1 19 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.949 -0.649 18255
8189 1 19 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.870 0.730 18255
8190 1 19 . 1 1 51 51 GLU H H 51 8.650 8.650 8.961 -0.311 18255
8191 1 19 . 1 1 52 52 THR N N 52 112.200 112.200 114.323 -2.123 18255
8192 1 19 . 1 1 52 52 THR C C 52 174.800 174.800 174.145 0.655 18255
8193 1 19 . 1 1 52 52 THR CA C 52 62.000 62.000 60.316 1.685 18255
8194 1 19 . 1 1 52 52 THR CB C 52 70.000 70.000 70.151 -0.151 18255
8195 1 19 . 1 1 52 52 THR H H 52 8.450 8.450 8.415 0.035 18255
8196 1 19 . 1 1 53 53 VAL N N 53 122.300 122.300 116.456 5.844 18255
8197 1 19 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.468 -0.198 18255
8198 1 19 . 1 1 53 53 VAL C C 53 176.200 176.200 174.326 1.874 18255
8199 1 19 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.622 0.678 18255
8200 1 19 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.757 -1.757 18255
8201 1 19 . 1 1 53 53 VAL H H 53 8.800 8.800 8.551 0.249 18255
8202 1 19 . 1 1 54 54 GLY N N 54 115.400 115.400 108.853 6.547 18255
8203 1 19 . 1 1 54 54 GLY C C 54 173.100 173.100 173.419 -0.319 18255
8204 1 19 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.915 -0.015 18255
8205 1 19 . 1 1 54 54 GLY H H 54 8.830 8.830 8.398 0.432 18255
8206 1 19 . 1 1 55 55 GLU N N 55 119.000 119.000 122.162 -3.162 18255
8207 1 19 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.730 -0.010 18255
8208 1 19 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.487 -1.887 18255
8209 1 19 . 1 1 55 55 GLU H H 55 8.390 8.390 8.557 -0.167 18255
8210 1 19 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.129 0.291 18255
8211 1 19 . 1 1 56 56 PRO C C 56 176.200 176.200 175.064 1.136 18255
8212 1 19 . 1 1 56 56 PRO CA C 56 62.900 62.900 63.035 -0.135 18255
8213 1 19 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.200 0.300 18255
8214 1 19 . 1 1 57 57 ALA N N 57 124.300 124.300 125.048 -0.748 18255
8215 1 19 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.672 -0.042 18255
8216 1 19 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.775 0.525 18255
8217 1 19 . 1 1 57 57 ALA CB C 57 22.200 22.200 22.681 -0.481 18255
8218 1 19 . 1 1 57 57 ALA H H 57 9.580 9.580 8.620 0.960 18255
8219 1 19 . 1 1 58 58 THR N N 58 108.700 108.700 115.115 -6.415 18255
8220 1 19 . 1 1 58 58 THR C C 58 175.700 175.700 175.985 -0.285 18255
8221 1 19 . 1 1 58 58 THR CA C 58 62.200 62.200 62.302 -0.102 18255
8222 1 19 . 1 1 58 58 THR CB C 58 70.600 70.600 69.823 0.777 18255
8223 1 19 . 1 1 58 58 THR H H 58 8.070 8.070 8.378 -0.308 18255
8224 1 19 . 1 1 59 59 LYS N N 59 123.400 123.400 122.786 0.614 18255
8225 1 19 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.141 0.029 18255
8226 1 19 . 1 1 59 59 LYS C C 59 178.100 178.100 178.629 -0.529 18255
8227 1 19 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.924 1.376 18255
8228 1 19 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.764 -0.064 18255
8229 1 19 . 1 1 59 59 LYS H H 59 9.420 9.420 8.965 0.455 18255
8230 1 19 . 1 1 60 60 GLN N N 60 114.800 114.800 116.856 -2.056 18255
8231 1 19 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.946 -0.076 18255
8232 1 19 . 1 1 60 60 GLN C C 60 178.600 178.600 179.020 -0.420 18255
8233 1 19 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.110 0.090 18255
8234 1 19 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.030 0.070 18255
8235 1 19 . 1 1 60 60 GLN H H 60 8.610 8.610 8.661 -0.051 18255
8236 1 19 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.061 -0.031 18255
8237 1 19 . 1 1 61 61 GLN C C 61 179.700 179.700 178.355 1.345 18255
8238 1 19 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.423 0.477 18255
8239 1 19 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.703 -0.003 18255
8240 1 19 . 1 1 61 61 GLN H H 61 7.690 7.690 7.737 -0.047 18255
8241 1 19 . 1 1 62 62 CYS N N 62 118.800 118.800 119.890 -1.090 18255
8242 1 19 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.068 -0.178 18255
8243 1 19 . 1 1 62 62 CYS C C 62 176.400 176.400 176.599 -0.199 18255
8244 1 19 . 1 1 62 62 CYS CA C 62 64.800 64.800 64.442 0.358 18255
8245 1 19 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.840 -0.639 18255
8246 1 19 . 1 1 62 62 CYS H H 62 8.460 8.460 8.455 0.005 18255
8247 1 19 . 1 1 63 63 LEU N N 63 119.200 119.200 119.136 0.064 18255
8248 1 19 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.020 -0.130 18255
8249 1 19 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.418 -0.318 18255
8250 1 19 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.410 0.490 18255
8251 1 19 . 1 1 63 63 LEU H H 63 8.350 8.350 8.114 0.236 18255
8252 1 19 . 1 1 64 64 GLN N N 64 119.000 119.000 119.460 -0.460 18255
8253 1 19 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.893 0.137 18255
8254 1 19 . 1 1 64 64 GLN C C 64 178.400 178.400 178.198 0.202 18255
8255 1 19 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.039 -0.439 18255
8256 1 19 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.483 -0.183 18255
8257 1 19 . 1 1 64 64 GLN H H 64 7.910 7.910 7.901 0.009 18255
8258 1 19 . 1 1 65 65 ARG N N 65 120.000 120.000 119.733 0.267 18255
8259 1 19 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.058 -0.058 18255
8260 1 19 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.284 0.016 18255
8261 1 19 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.173 -0.273 18255
8262 1 19 . 1 1 65 65 ARG H H 65 7.940 7.940 7.933 0.007 18255
8263 1 19 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.978 -0.608 18255
8264 1 19 . 1 1 66 66 ILE C C 66 176.700 176.700 177.567 -0.867 18255
8265 1 19 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.062 1.438 18255
8266 1 19 . 1 1 66 66 ILE CB C 66 37.900 37.900 38.260 -0.360 18255
8267 1 19 . 1 1 67 67 GLU N N 67 118.400 118.400 120.525 -2.125 18255
8268 1 19 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.170 -0.220 18255
8269 1 19 . 1 1 67 67 GLU C C 67 178.600 178.600 178.931 -0.331 18255
8270 1 19 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.797 0.503 18255
8271 1 19 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.161 0.139 18255
8272 1 19 . 1 1 67 67 GLU H H 67 7.600 7.600 8.318 -0.718 18255
8273 1 19 . 1 1 68 68 GLN N N 68 116.400 116.400 114.913 1.487 18255
8274 1 19 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.203 -0.083 18255
8275 1 19 . 1 1 68 68 GLN C C 68 177.400 177.400 176.897 0.503 18255
8276 1 19 . 1 1 68 68 GLN CA C 68 57.600 57.600 55.942 1.658 18255
8277 1 19 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.123 0.476 18255
8278 1 19 . 1 1 68 68 GLN H H 68 7.620 7.620 8.011 -0.391 18255
8279 1 19 . 1 1 69 69 LEU N N 69 120.000 120.000 119.142 0.858 18255
8280 1 19 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.542 -0.452 18255
8281 1 19 . 1 1 69 69 LEU C C 69 176.600 176.600 178.360 -1.760 18255
8282 1 19 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.520 0.280 18255
8283 1 19 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.602 -0.702 18255
8284 1 19 . 1 1 69 69 LEU H H 69 7.900 7.900 7.635 0.265 18255
8285 1 19 . 1 1 70 70 TRP N N 70 119.200 119.200 120.585 -1.385 18255
8286 1 19 . 1 1 70 70 TRP C C 70 177.100 177.100 177.240 -0.140 18255
8287 1 19 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.447 -2.447 18255
8288 1 19 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.936 -1.637 18255
8289 1 19 . 1 1 70 70 TRP H H 70 8.120 8.120 8.411 -0.291 18255
8290 1 19 . 1 1 71 71 THR N N 71 114.500 114.500 112.600 1.900 18255
8291 1 19 . 1 1 71 71 THR HA H 71 4.160 4.160 4.355 -0.195 18255
8292 1 19 . 1 1 71 71 THR C C 71 174.700 174.700 175.000 -0.300 18255
8293 1 19 . 1 1 71 71 THR CA C 71 63.700 63.700 64.656 -0.956 18255
8294 1 19 . 1 1 71 71 THR CB C 71 69.500 69.500 68.541 0.959 18255
8295 1 19 . 1 1 71 71 THR H H 71 7.960 7.960 8.109 -0.149 18255
8296 1 19 . 1 1 72 72 ASP N N 72 120.700 120.700 120.456 0.244 18255
8297 1 19 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.415 0.145 18255
8298 1 19 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.413 -1.413 18255
8299 1 19 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.393 0.407 18255
8300 1 19 . 1 1 72 72 ASP H H 72 8.140 8.140 7.975 0.165 18255
8301 1 19 . 1 1 74 74 VAL N N 74 121.700 121.700 126.035 -4.335 18255
8302 1 19 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.271 0.069 18255
8303 1 19 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.871 0.229 18255
8304 1 19 . 1 1 74 74 VAL CB C 74 32.500 32.500 32.511 -0.011 18255
8305 1 19 . 1 1 74 74 VAL H H 74 7.950 7.950 8.150 -0.200 18255
8306 1 19 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.520 -0.140 18255
8307 1 19 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.574 0.726 18255
8308 1 19 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.323 -0.123 18255
8309 1 19 . 1 1 76 76 ALA N N 76 124.200 124.200 121.786 2.414 18255
8310 1 19 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.080 0.060 18255
8311 1 19 . 1 1 76 76 ALA C C 76 178.400 178.400 179.402 -1.002 18255
8312 1 19 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.869 -1.069 18255
8313 1 19 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.089 0.611 18255
8314 1 19 . 1 1 76 76 ALA H H 76 8.600 8.600 8.489 0.111 18255
8315 1 19 . 1 1 77 77 SER N N 77 112.900 112.900 113.807 -0.907 18255
8316 1 19 . 1 1 77 77 SER HA H 77 4.340 4.340 4.235 0.105 18255
8317 1 19 . 1 1 77 77 SER C C 77 175.200 175.200 176.675 -1.475 18255
8318 1 19 . 1 1 77 77 SER CA C 77 59.200 59.200 60.795 -1.595 18255
8319 1 19 . 1 1 77 77 SER CB C 77 63.200 63.200 62.551 0.649 18255
8320 1 19 . 1 1 77 77 SER H H 77 8.310 8.310 8.209 0.101 18255
8321 1 19 . 1 1 78 78 VAL N N 78 121.700 121.700 123.720 -2.020 18255
8322 1 19 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.818 0.202 18255
8323 1 19 . 1 1 78 78 VAL C C 78 176.600 176.600 176.895 -0.295 18255
8324 1 19 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.568 -2.168 18255
8325 1 19 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.758 0.542 18255
8326 1 19 . 1 1 78 78 VAL H H 78 7.810 7.810 8.093 -0.283 18255
8327 1 19 . 1 1 79 79 ARG N N 79 121.900 121.900 118.847 3.053 18255
8328 1 19 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.108 0.052 18255
8329 1 19 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.039 -1.739 18255
8330 1 19 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.551 0.949 18255
8331 1 19 . 1 1 79 79 ARG H H 79 8.100 8.100 7.718 0.382 18255
8332 1 19 . 1 1 80 80 GLU N N 80 119.600 119.600 118.711 0.889 18255
8333 1 19 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.057 0.943 18255
8334 1 19 . 1 1 80 80 GLU H H 80 8.260 8.260 7.969 0.291 18255
8335 1 19 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.467 0.083 18255
8336 1 19 . 1 1 81 81 HIS C C 81 175.600 175.600 177.820 -2.220 18255
8337 1 19 . 1 1 81 81 HIS CA C 81 56.200 56.200 58.880 -2.679 18255
8338 1 19 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.119 0.281 18255
8339 1 19 . 1 1 82 82 LEU N N 82 121.500 121.500 118.506 2.994 18255
8340 1 19 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.116 0.144 18255
8341 1 19 . 1 1 82 82 LEU C C 82 177.200 177.200 177.727 -0.527 18255
8342 1 19 . 1 1 82 82 LEU CA C 82 55.600 55.600 57.442 -1.842 18255
8343 1 19 . 1 1 82 82 LEU CB C 82 42.100 42.100 41.377 0.723 18255
8344 1 19 . 1 1 82 82 LEU H H 82 8.120 8.120 8.270 -0.150 18255
8345 1 19 . 1 1 83 83 ASN N N 83 118.300 118.300 115.500 2.800 18255
8346 1 19 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.514 0.126 18255
8347 1 19 . 1 1 83 83 ASN CA C 83 53.500 53.500 54.933 -1.433 18255
8348 1 19 . 1 1 83 83 ASN CB C 83 38.600 38.600 38.845 -0.245 18255
8349 1 19 . 1 1 83 83 ASN H H 83 8.400 8.400 7.762 0.638 18255
8350 1 19 . 1 1 85 85 HIS C C 85 174.900 174.900 174.279 0.621 18255
8351 1 19 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.123 1.177 18255
8352 1 19 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.001 0.599 18255
8353 1 19 . 1 1 86 86 SER N N 86 116.700 116.700 117.238 -0.538 18255
8354 1 19 . 1 1 86 86 SER C C 86 174.100 174.100 176.627 -2.527 18255
8355 1 19 . 1 1 86 86 SER CA C 86 58.400 58.400 57.284 1.116 18255
8356 1 19 . 1 1 86 86 SER CB C 86 64.300 64.300 64.733 -0.432 18255
8357 1 19 . 1 1 86 86 SER H H 86 8.220 8.220 7.573 0.647 18255
8358 1 19 . 1 1 87 87 GLY N N 87 110.400 110.400 109.569 0.831 18255
8359 1 19 . 1 1 87 87 GLY CA C 87 44.500 44.500 46.286 -1.786 18255
8360 1 19 . 1 1 87 87 GLY H H 87 8.310 8.310 8.653 -0.343 18255
8361 1 19 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.484 -0.114 18255
8362 1 19 . 1 1 88 88 PRO C C 88 177.400 177.400 176.482 0.918 18255
8363 1 19 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.158 1.042 18255
8364 1 19 . 1 1 88 88 PRO CB C 88 32.000 32.000 30.155 1.845 18255
8365 1 19 . 1 1 89 89 GLY N N 89 109.300 109.300 109.793 -0.493 18255
8366 1 19 . 1 1 89 89 GLY C C 89 173.800 173.800 173.543 0.257 18255
8367 1 19 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.469 0.731 18255
8368 1 19 . 1 1 89 89 GLY H H 89 8.500 8.500 8.022 0.478 18255
8369 1 19 . 1 1 90 90 ILE N N 90 119.600 119.600 121.799 -2.199 18255
8370 1 19 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.994 0.086 18255
8371 1 19 . 1 1 90 90 ILE C C 90 175.400 175.400 175.089 0.311 18255
8372 1 19 . 1 1 90 90 ILE CA C 90 61.000 61.000 62.202 -1.202 18255
8373 1 19 . 1 1 90 90 ILE CB C 90 38.900 38.900 36.842 2.058 18255
8374 1 19 . 1 1 90 90 ILE H H 90 7.910 7.910 7.644 0.266 18255
8375 1 19 . 1 1 91 91 ASP N N 91 123.400 123.400 127.347 -3.947 18255
8376 1 19 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.534 0.036 18255
8377 1 19 . 1 1 91 91 ASP C C 91 175.700 175.700 175.028 0.672 18255
8378 1 19 . 1 1 91 91 ASP CA C 91 53.900 53.900 52.867 1.034 18255
8379 1 19 . 1 1 91 91 ASP CB C 91 41.100 41.100 42.839 -1.739 18255
8380 1 19 . 1 1 91 91 ASP H H 91 8.350 8.350 8.304 0.046 18255
8381 1 19 . 1 1 92 92 TYR N N 92 120.800 120.800 119.117 1.683 18255
8382 1 19 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.459 0.001 18255
8383 1 19 . 1 1 92 92 TYR C C 92 175.200 175.200 174.823 0.377 18255
8384 1 19 . 1 1 92 92 TYR CA C 92 58.000 58.000 58.790 -0.790 18255
8385 1 19 . 1 1 92 92 TYR CB C 92 38.600 38.600 38.587 0.013 18255
8386 1 19 . 1 1 92 92 TYR H H 92 8.050 8.050 8.382 -0.332 18255
8387 1 19 . 1 1 93 93 ALA N N 93 124.700 124.700 124.628 0.072 18255
8388 1 19 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.527 -0.227 18255
8389 1 19 . 1 1 93 93 ALA C C 93 177.100 177.100 175.390 1.710 18255
8390 1 19 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.572 0.828 18255
8391 1 19 . 1 1 93 93 ALA CB C 93 19.300 19.300 21.507 -2.207 18255
8392 1 19 . 1 1 93 93 ALA H H 93 8.170 8.170 8.396 -0.226 18255
8393 1 19 . 1 1 94 94 VAL N N 94 119.400 119.400 121.495 -2.095 18255
8394 1 19 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.083 -0.033 18255
8395 1 19 . 1 1 94 94 VAL C C 94 175.100 175.100 175.342 -0.242 18255
8396 1 19 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.928 -0.528 18255
8397 1 19 . 1 1 94 94 VAL CB C 94 32.300 32.300 30.237 2.063 18255
8398 1 19 . 1 1 94 94 VAL H H 94 8.000 8.000 8.500 -0.500 18255
8399 1 20 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.475 -0.515 18255
8400 1 20 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.177 -0.477 18255
8401 1 20 . 1 1 2 2 ALA CB C 2 19.700 19.700 19.344 0.356 18255
8402 1 20 . 1 1 8 8 HIS C C 8 175.200 175.200 174.613 0.587 18255
8403 1 20 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.741 0.859 18255
8404 1 20 . 1 1 8 8 HIS CB C 8 30.800 30.800 28.494 2.305 18255
8405 1 20 . 1 1 9 9 MET N N 9 121.800 121.800 123.358 -1.558 18255
8406 1 20 . 1 1 9 9 MET C C 9 176.400 176.400 176.365 0.035 18255
8407 1 20 . 1 1 9 9 MET CA C 9 55.800 55.800 56.533 -0.733 18255
8408 1 20 . 1 1 9 9 MET CB C 9 32.800 32.800 33.431 -0.631 18255
8409 1 20 . 1 1 9 9 MET H H 9 8.470 8.470 8.287 0.183 18255
8410 1 20 . 1 1 10 10 GLY N N 10 109.800 109.800 107.140 2.660 18255
8411 1 20 . 1 1 10 10 GLY C C 10 174.100 174.100 173.197 0.903 18255
8412 1 20 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.209 0.091 18255
8413 1 20 . 1 1 10 10 GLY H H 10 8.490 8.490 7.914 0.576 18255
8414 1 20 . 1 1 11 11 THR N N 11 113.600 113.600 118.611 -5.011 18255
8415 1 20 . 1 1 11 11 THR HA H 11 3.710 3.710 4.589 -0.879 18255
8416 1 20 . 1 1 11 11 THR C C 11 174.600 174.600 174.170 0.430 18255
8417 1 20 . 1 1 11 11 THR CA C 11 62.400 62.400 61.779 0.621 18255
8418 1 20 . 1 1 11 11 THR CB C 11 70.100 70.100 71.504 -1.404 18255
8419 1 20 . 1 1 11 11 THR H H 11 8.100 8.100 8.137 -0.037 18255
8420 1 20 . 1 1 12 12 LEU N N 12 123.900 123.900 123.095 0.805 18255
8421 1 20 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.466 -0.166 18255
8422 1 20 . 1 1 12 12 LEU C C 12 177.400 177.400 179.067 -1.667 18255
8423 1 20 . 1 1 12 12 LEU CA C 12 55.600 55.600 55.125 0.475 18255
8424 1 20 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.321 -0.221 18255
8425 1 20 . 1 1 12 12 LEU H H 12 8.350 8.350 8.410 -0.060 18255
8426 1 20 . 1 1 13 13 GLU N N 13 121.300 121.300 119.384 1.916 18255
8427 1 20 . 1 1 13 13 GLU HA H 13 4.190 4.190 3.867 0.323 18255
8428 1 20 . 1 1 13 13 GLU C C 13 176.200 176.200 175.897 0.303 18255
8429 1 20 . 1 1 13 13 GLU CA C 13 56.900 56.900 57.262 -0.362 18255
8430 1 20 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.509 1.491 18255
8431 1 20 . 1 1 13 13 GLU H H 13 8.420 8.420 8.773 -0.353 18255
8432 1 20 . 1 1 14 14 ALA N N 14 124.100 124.100 119.913 4.187 18255
8433 1 20 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.463 -0.203 18255
8434 1 20 . 1 1 14 14 ALA C C 14 177.700 177.700 176.352 1.348 18255
8435 1 20 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.801 -0.101 18255
8436 1 20 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.476 -0.376 18255
8437 1 20 . 1 1 14 14 ALA H H 14 8.260 8.260 8.123 0.137 18255
8438 1 20 . 1 1 15 15 GLN N N 15 119.100 119.100 119.629 -0.529 18255
8439 1 20 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.746 -0.386 18255
8440 1 20 . 1 1 15 15 GLN C C 15 176.200 176.200 174.263 1.937 18255
8441 1 20 . 1 1 15 15 GLN CA C 15 55.900 55.900 54.848 1.052 18255
8442 1 20 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.846 -1.546 18255
8443 1 20 . 1 1 15 15 GLN H H 15 8.340 8.340 8.246 0.094 18255
8444 1 20 . 1 1 16 16 THR N N 16 114.600 114.600 112.250 2.350 18255
8445 1 20 . 1 1 16 16 THR HA H 16 4.320 4.320 3.381 0.939 18255
8446 1 20 . 1 1 16 16 THR C C 16 174.300 174.300 173.511 0.789 18255
8447 1 20 . 1 1 16 16 THR CA C 16 61.900 61.900 62.654 -0.754 18255
8448 1 20 . 1 1 16 16 THR CB C 16 69.700 69.700 69.749 -0.049 18255
8449 1 20 . 1 1 16 16 THR H H 16 8.160 8.160 8.141 0.019 18255
8450 1 20 . 1 1 17 17 GLN N N 17 122.200 122.200 118.546 3.654 18255
8451 1 20 . 1 1 17 17 GLN C C 17 175.800 175.800 174.086 1.714 18255
8452 1 20 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.583 0.317 18255
8453 1 20 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.636 -2.036 18255
8454 1 20 . 1 1 17 17 GLN H H 17 8.410 8.410 7.594 0.816 18255
8455 1 20 . 1 1 18 18 GLY N N 18 110.100 110.100 111.859 -1.759 18255
8456 1 20 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.626 0.974 18255
8457 1 20 . 1 1 18 18 GLY H H 18 8.340 8.340 8.690 -0.350 18255
8458 1 20 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.571 -0.141 18255
8459 1 20 . 1 1 19 19 PRO C C 19 177.500 177.500 175.657 1.843 18255
8460 1 20 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.380 1.119 18255
8461 1 20 . 1 1 19 19 PRO CB C 19 32.100 32.100 33.654 -1.554 18255
8462 1 20 . 1 1 20 20 GLY N N 20 109.600 109.600 107.769 1.831 18255
8463 1 20 . 1 1 20 20 GLY C C 20 174.000 174.000 173.031 0.969 18255
8464 1 20 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.939 0.261 18255
8465 1 20 . 1 1 20 20 GLY H H 20 8.620 8.620 7.934 0.686 18255
8466 1 20 . 1 1 21 21 SER N N 21 115.300 115.300 116.860 -1.560 18255
8467 1 20 . 1 1 21 21 SER HA H 21 4.460 4.460 4.783 -0.323 18255
8468 1 20 . 1 1 21 21 SER C C 21 174.700 174.700 174.538 0.162 18255
8469 1 20 . 1 1 21 21 SER CA C 21 58.400 58.400 57.174 1.226 18255
8470 1 20 . 1 1 21 21 SER CB C 21 64.000 64.000 65.129 -1.129 18255
8471 1 20 . 1 1 21 21 SER H H 21 8.240 8.240 8.529 -0.289 18255
8472 1 20 . 1 1 22 22 MET N N 22 122.000 122.000 121.422 0.578 18255
8473 1 20 . 1 1 22 22 MET HA H 22 4.530 4.530 4.392 0.138 18255
8474 1 20 . 1 1 22 22 MET C C 22 176.000 176.000 174.790 1.210 18255
8475 1 20 . 1 1 22 22 MET CA C 22 55.700 55.700 55.758 -0.058 18255
8476 1 20 . 1 1 22 22 MET CB C 22 32.600 32.600 32.855 -0.255 18255
8477 1 20 . 1 1 22 22 MET H H 22 8.570 8.570 8.492 0.078 18255
8478 1 20 . 1 1 23 23 ASP N N 23 120.600 120.600 123.081 -2.481 18255
8479 1 20 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.899 -0.269 18255
8480 1 20 . 1 1 23 23 ASP C C 23 175.700 175.700 174.220 1.480 18255
8481 1 20 . 1 1 23 23 ASP CA C 23 54.800 54.800 52.728 2.072 18255
8482 1 20 . 1 1 23 23 ASP CB C 23 41.000 41.000 44.024 -3.024 18255
8483 1 20 . 1 1 23 23 ASP H H 23 8.330 8.330 8.297 0.033 18255
8484 1 20 . 1 1 24 24 ASP N N 24 119.800 119.800 118.923 0.877 18255
8485 1 20 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.888 -0.228 18255
8486 1 20 . 1 1 24 24 ASP C C 24 175.800 175.800 175.267 0.533 18255
8487 1 20 . 1 1 24 24 ASP CA C 24 54.100 54.100 52.797 1.303 18255
8488 1 20 . 1 1 24 24 ASP CB C 24 41.300 41.300 43.558 -2.258 18255
8489 1 20 . 1 1 24 24 ASP H H 24 8.250 8.250 8.371 -0.121 18255
8490 1 20 . 1 1 25 25 GLU N N 25 120.600 120.600 116.732 3.868 18255
8491 1 20 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.107 0.113 18255
8492 1 20 . 1 1 25 25 GLU C C 25 175.200 175.200 175.629 -0.429 18255
8493 1 20 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.490 -0.090 18255
8494 1 20 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.925 0.575 18255
8495 1 20 . 1 1 25 25 GLU H H 25 8.190 8.190 8.620 -0.430 18255
8496 1 20 . 1 1 26 26 LEU N N 26 121.500 121.500 121.684 -0.184 18255
8497 1 20 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.599 -0.059 18255
8498 1 20 . 1 1 26 26 LEU C C 26 175.200 175.200 176.926 -1.726 18255
8499 1 20 . 1 1 26 26 LEU CA C 26 54.000 54.000 55.513 -1.513 18255
8500 1 20 . 1 1 26 26 LEU CB C 26 43.700 43.700 41.552 2.148 18255
8501 1 20 . 1 1 26 26 LEU H H 26 8.270 8.270 8.541 -0.271 18255
8502 1 20 . 1 1 27 27 TYR N N 27 119.400 119.400 120.079 -0.679 18255
8503 1 20 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.136 -0.166 18255
8504 1 20 . 1 1 27 27 TYR C C 27 173.100 173.100 174.777 -1.677 18255
8505 1 20 . 1 1 27 27 TYR CA C 27 56.700 56.700 57.198 -0.498 18255
8506 1 20 . 1 1 27 27 TYR CB C 27 43.900 43.900 43.136 0.764 18255
8507 1 20 . 1 1 27 27 TYR H H 27 9.250 9.250 9.000 0.250 18255
8508 1 20 . 1 1 28 28 PHE N N 28 114.700 114.700 120.677 -5.977 18255
8509 1 20 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.881 0.189 18255
8510 1 20 . 1 1 28 28 PHE C C 28 178.100 178.100 174.397 3.703 18255
8511 1 20 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.397 0.703 18255
8512 1 20 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.373 -0.874 18255
8513 1 20 . 1 1 28 28 PHE H H 28 9.510 9.510 9.437 0.073 18255
8514 1 20 . 1 1 29 29 VAL N N 29 121.100 121.100 122.203 -1.103 18255
8515 1 20 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.884 -0.404 18255
8516 1 20 . 1 1 29 29 VAL C C 29 175.200 175.200 174.970 0.230 18255
8517 1 20 . 1 1 29 29 VAL CA C 29 64.000 64.000 61.950 2.050 18255
8518 1 20 . 1 1 29 29 VAL CB C 29 31.900 31.900 31.892 0.008 18255
8519 1 20 . 1 1 29 29 VAL H H 29 9.110 9.110 8.879 0.231 18255
8520 1 20 . 1 1 30 30 VAL N N 30 119.800 119.800 123.188 -3.388 18255
8521 1 20 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.448 0.102 18255
8522 1 20 . 1 1 30 30 VAL C C 30 173.800 173.800 174.382 -0.582 18255
8523 1 20 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.205 -1.204 18255
8524 1 20 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.395 -0.295 18255
8525 1 20 . 1 1 30 30 VAL H H 30 8.890 8.890 9.203 -0.313 18255
8526 1 20 . 1 1 31 31 ARG N N 31 119.700 119.700 117.633 2.067 18255
8527 1 20 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.752 0.438 18255
8528 1 20 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.325 -1.825 18255
8529 1 20 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.063 1.036 18255
8530 1 20 . 1 1 31 31 ARG H H 31 8.980 8.980 9.168 -0.188 18255
8531 1 20 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.539 -0.299 18255
8532 1 20 . 1 1 32 32 ASN C C 32 176.600 176.600 174.404 2.196 18255
8533 1 20 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.261 -2.561 18255
8534 1 20 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.533 -3.833 18255
8535 1 20 . 1 1 33 33 ASN N N 33 114.800 114.800 119.207 -4.407 18255
8536 1 20 . 1 1 33 33 ASN HA H 33 4.290 4.290 3.847 0.443 18255
8537 1 20 . 1 1 33 33 ASN C C 33 175.600 175.600 174.644 0.956 18255
8538 1 20 . 1 1 33 33 ASN CA C 33 55.500 55.500 54.682 0.818 18255
8539 1 20 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.548 0.252 18255
8540 1 20 . 1 1 33 33 ASN H H 33 7.760 7.760 8.470 -0.710 18255
8541 1 20 . 1 1 34 34 GLU N N 34 116.900 116.900 113.983 2.917 18255
8542 1 20 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.269 0.041 18255
8543 1 20 . 1 1 34 34 GLU C C 34 176.200 176.200 176.428 -0.228 18255
8544 1 20 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.040 -0.140 18255
8545 1 20 . 1 1 34 34 GLU CB C 34 29.500 29.500 30.783 -1.283 18255
8546 1 20 . 1 1 34 34 GLU H H 34 7.340 7.340 7.616 -0.276 18255
8547 1 20 . 1 1 35 35 GLY N N 35 107.000 107.000 107.662 -0.662 18255
8548 1 20 . 1 1 35 35 GLY C C 35 173.400 173.400 174.143 -0.743 18255
8549 1 20 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.863 -0.463 18255
8550 1 20 . 1 1 35 35 GLY H H 35 7.720 7.720 8.530 -0.810 18255
8551 1 20 . 1 1 36 36 GLN N N 36 117.700 117.700 119.974 -2.274 18255
8552 1 20 . 1 1 36 36 GLN HA H 36 4.280 4.280 4.564 -0.284 18255
8553 1 20 . 1 1 36 36 GLN CA C 36 54.500 54.500 55.295 -0.795 18255
8554 1 20 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.539 -1.039 18255
8555 1 20 . 1 1 36 36 GLN H H 36 7.570 7.570 7.469 0.101 18255
8556 1 20 . 1 1 37 37 TYR C C 37 176.300 176.300 175.085 1.215 18255
8557 1 20 . 1 1 37 37 TYR CA C 37 57.500 57.500 56.895 0.605 18255
8558 1 20 . 1 1 37 37 TYR CB C 37 42.800 42.800 42.800 -0.000 18255
8559 1 20 . 1 1 38 38 SER N N 38 114.700 114.700 112.848 1.852 18255
8560 1 20 . 1 1 38 38 SER HA H 38 5.770 5.770 4.914 0.856 18255
8561 1 20 . 1 1 38 38 SER C C 38 173.100 173.100 173.005 0.095 18255
8562 1 20 . 1 1 38 38 SER CA C 38 57.300 57.300 56.538 0.762 18255
8563 1 20 . 1 1 38 38 SER CB C 38 64.400 64.400 66.474 -2.074 18255
8564 1 20 . 1 1 38 38 SER H H 38 9.230 9.230 9.375 -0.145 18255
8565 1 20 . 1 1 39 39 VAL N N 39 114.000 114.000 116.024 -2.024 18255
8566 1 20 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.403 0.297 18255
8567 1 20 . 1 1 39 39 VAL C C 39 175.200 175.200 175.065 0.135 18255
8568 1 20 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.866 -0.966 18255
8569 1 20 . 1 1 39 39 VAL CB C 39 34.800 34.800 34.412 0.388 18255
8570 1 20 . 1 1 39 39 VAL H H 39 8.430 8.430 8.513 -0.083 18255
8571 1 20 . 1 1 40 40 TRP N N 40 126.600 126.600 129.307 -2.707 18255
8572 1 20 . 1 1 40 40 TRP C C 40 174.000 174.000 174.444 -0.444 18255
8573 1 20 . 1 1 40 40 TRP CA C 40 56.500 56.500 55.610 0.890 18255
8574 1 20 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.336 2.365 18255
8575 1 20 . 1 1 40 40 TRP H H 40 9.590 9.590 9.316 0.274 18255
8576 1 20 . 1 1 41 41 MET N N 41 127.700 127.700 127.496 0.204 18255
8577 1 20 . 1 1 41 41 MET HA H 41 3.470 3.470 2.872 0.598 18255
8578 1 20 . 1 1 41 41 MET C C 41 175.000 175.000 174.705 0.295 18255
8579 1 20 . 1 1 41 41 MET CA C 41 56.900 56.900 55.525 1.375 18255
8580 1 20 . 1 1 41 41 MET CB C 41 33.800 33.800 32.572 1.228 18255
8581 1 20 . 1 1 41 41 MET H H 41 7.860 7.860 8.125 -0.265 18255
8582 1 20 . 1 1 42 42 ASP N N 42 123.400 123.400 127.282 -3.882 18255
8583 1 20 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.447 0.073 18255
8584 1 20 . 1 1 42 42 ASP C C 42 176.800 176.800 177.518 -0.718 18255
8585 1 20 . 1 1 42 42 ASP CA C 42 55.500 55.500 56.021 -0.521 18255
8586 1 20 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.358 0.143 18255
8587 1 20 . 1 1 42 42 ASP H H 42 8.290 8.290 7.863 0.427 18255
8588 1 20 . 1 1 43 43 GLY N N 43 113.300 113.300 111.877 1.423 18255
8589 1 20 . 1 1 43 43 GLY C C 43 174.000 174.000 173.533 0.467 18255
8590 1 20 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.149 0.151 18255
8591 1 20 . 1 1 43 43 GLY H H 43 8.350 8.350 8.653 -0.303 18255
8592 1 20 . 1 1 44 44 ARG N N 44 119.600 119.600 121.295 -1.695 18255
8593 1 20 . 1 1 44 44 ARG C C 44 176.600 176.600 175.483 1.117 18255
8594 1 20 . 1 1 44 44 ARG CA C 44 54.800 54.800 55.131 -0.331 18255
8595 1 20 . 1 1 44 44 ARG CB C 44 31.500 31.500 32.111 -0.611 18255
8596 1 20 . 1 1 44 44 ARG H H 44 7.560 7.560 7.737 -0.177 18255
8597 1 20 . 1 1 45 45 SER N N 45 121.000 121.000 120.370 0.630 18255
8598 1 20 . 1 1 45 45 SER HA H 45 4.310 4.310 4.526 -0.216 18255
8599 1 20 . 1 1 45 45 SER C C 45 174.300 174.300 173.642 0.658 18255
8600 1 20 . 1 1 45 45 SER CA C 45 59.400 59.400 58.588 0.812 18255
8601 1 20 . 1 1 45 45 SER CB C 45 63.200 63.200 64.124 -0.924 18255
8602 1 20 . 1 1 45 45 SER H H 45 8.830 8.830 8.567 0.263 18255
8603 1 20 . 1 1 46 46 LEU N N 46 127.900 127.900 122.912 4.988 18255
8604 1 20 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.309 -0.459 18255
8605 1 20 . 1 1 46 46 LEU CA C 46 53.000 53.000 50.869 2.131 18255
8606 1 20 . 1 1 46 46 LEU CB C 46 42.200 42.200 43.782 -1.582 18255
8607 1 20 . 1 1 46 46 LEU H H 46 8.610 8.610 8.199 0.411 18255
8608 1 20 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.435 -0.255 18255
8609 1 20 . 1 1 47 47 PRO C C 47 175.700 175.700 176.152 -0.452 18255
8610 1 20 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.086 -0.286 18255
8611 1 20 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.254 -1.154 18255
8612 1 20 . 1 1 48 48 ALA N N 48 123.600 123.600 123.861 -0.261 18255
8613 1 20 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.178 -0.078 18255
8614 1 20 . 1 1 48 48 ALA C C 48 178.800 178.800 178.403 0.397 18255
8615 1 20 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.974 -0.474 18255
8616 1 20 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.062 -0.862 18255
8617 1 20 . 1 1 48 48 ALA H H 48 8.260 8.260 8.192 0.068 18255
8618 1 20 . 1 1 49 49 GLY N N 49 110.200 110.200 111.323 -1.123 18255
8619 1 20 . 1 1 49 49 GLY C C 49 173.800 173.800 174.355 -0.555 18255
8620 1 20 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.589 0.511 18255
8621 1 20 . 1 1 49 49 GLY H H 49 8.720 8.720 8.388 0.332 18255
8622 1 20 . 1 1 50 50 TRP N N 50 119.900 119.900 121.478 -1.578 18255
8623 1 20 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.806 -0.136 18255
8624 1 20 . 1 1 50 50 TRP C C 50 174.900 174.900 176.296 -1.396 18255
8625 1 20 . 1 1 50 50 TRP CA C 50 56.200 56.200 56.535 -0.335 18255
8626 1 20 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.287 0.113 18255
8627 1 20 . 1 1 50 50 TRP H H 50 7.640 7.640 7.978 -0.338 18255
8628 1 20 . 1 1 51 51 GLU N N 51 118.200 118.200 121.429 -3.229 18255
8629 1 20 . 1 1 51 51 GLU C C 51 175.400 175.400 175.810 -0.410 18255
8630 1 20 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.769 -0.469 18255
8631 1 20 . 1 1 51 51 GLU CB C 51 33.600 33.600 33.002 0.598 18255
8632 1 20 . 1 1 51 51 GLU H H 51 8.650 8.650 9.356 -0.706 18255
8633 1 20 . 1 1 52 52 THR N N 52 112.200 112.200 114.654 -2.454 18255
8634 1 20 . 1 1 52 52 THR C C 52 174.800 174.800 173.699 1.101 18255
8635 1 20 . 1 1 52 52 THR CA C 52 62.000 62.000 61.096 0.904 18255
8636 1 20 . 1 1 52 52 THR CB C 52 70.000 70.000 69.104 0.896 18255
8637 1 20 . 1 1 52 52 THR H H 52 8.450 8.450 8.418 0.032 18255
8638 1 20 . 1 1 53 53 VAL N N 53 122.300 122.300 123.742 -1.442 18255
8639 1 20 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.192 0.078 18255
8640 1 20 . 1 1 53 53 VAL C C 53 176.200 176.200 174.240 1.960 18255
8641 1 20 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.749 0.551 18255
8642 1 20 . 1 1 53 53 VAL CB C 53 33.000 33.000 35.838 -2.838 18255
8643 1 20 . 1 1 53 53 VAL H H 53 8.800 8.800 8.207 0.593 18255
8644 1 20 . 1 1 54 54 GLY N N 54 115.400 115.400 110.661 4.739 18255
8645 1 20 . 1 1 54 54 GLY C C 54 173.100 173.100 172.924 0.176 18255
8646 1 20 . 1 1 54 54 GLY CA C 54 44.900 44.900 44.986 -0.086 18255
8647 1 20 . 1 1 54 54 GLY H H 54 8.830 8.830 7.911 0.919 18255
8648 1 20 . 1 1 55 55 GLU N N 55 119.000 119.000 122.538 -3.538 18255
8649 1 20 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.853 -0.133 18255
8650 1 20 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.608 -2.008 18255
8651 1 20 . 1 1 55 55 GLU H H 55 8.390 8.390 8.761 -0.371 18255
8652 1 20 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.082 0.338 18255
8653 1 20 . 1 1 56 56 PRO C C 56 176.200 176.200 175.867 0.333 18255
8654 1 20 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.581 0.319 18255
8655 1 20 . 1 1 56 56 PRO CB C 56 31.500 31.500 30.952 0.548 18255
8656 1 20 . 1 1 57 57 ALA N N 57 124.300 124.300 128.504 -4.204 18255
8657 1 20 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.600 0.030 18255
8658 1 20 . 1 1 57 57 ALA CA C 57 51.300 51.300 51.133 0.167 18255
8659 1 20 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.852 0.348 18255
8660 1 20 . 1 1 57 57 ALA H H 57 9.580 9.580 8.553 1.027 18255
8661 1 20 . 1 1 58 58 THR N N 58 108.700 108.700 115.485 -6.785 18255
8662 1 20 . 1 1 58 58 THR C C 58 175.700 175.700 176.567 -0.867 18255
8663 1 20 . 1 1 58 58 THR CA C 58 62.200 62.200 62.552 -0.352 18255
8664 1 20 . 1 1 58 58 THR CB C 58 70.600 70.600 69.887 0.713 18255
8665 1 20 . 1 1 58 58 THR H H 58 8.070 8.070 8.304 -0.234 18255
8666 1 20 . 1 1 59 59 LYS N N 59 123.400 123.400 126.120 -2.720 18255
8667 1 20 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.523 -0.353 18255
8668 1 20 . 1 1 59 59 LYS C C 59 178.100 178.100 178.279 -0.179 18255
8669 1 20 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.865 1.435 18255
8670 1 20 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.820 -0.120 18255
8671 1 20 . 1 1 59 59 LYS H H 59 9.420 9.420 8.478 0.942 18255
8672 1 20 . 1 1 60 60 GLN N N 60 114.800 114.800 118.044 -3.244 18255
8673 1 20 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.890 -0.020 18255
8674 1 20 . 1 1 60 60 GLN C C 60 178.600 178.600 178.228 0.372 18255
8675 1 20 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.146 0.054 18255
8676 1 20 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.311 -0.211 18255
8677 1 20 . 1 1 60 60 GLN H H 60 8.610 8.610 8.327 0.283 18255
8678 1 20 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.113 -0.083 18255
8679 1 20 . 1 1 61 61 GLN C C 61 179.700 179.700 178.572 1.128 18255
8680 1 20 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.152 0.748 18255
8681 1 20 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.122 0.578 18255
8682 1 20 . 1 1 61 61 GLN H H 61 7.690 7.690 7.960 -0.270 18255
8683 1 20 . 1 1 62 62 CYS N N 62 118.800 118.800 120.143 -1.343 18255
8684 1 20 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.141 -0.251 18255
8685 1 20 . 1 1 62 62 CYS C C 62 176.400 176.400 176.800 -0.400 18255
8686 1 20 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.874 0.926 18255
8687 1 20 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.907 -0.707 18255
8688 1 20 . 1 1 62 62 CYS H H 62 8.460 8.460 8.480 -0.020 18255
8689 1 20 . 1 1 63 63 LEU N N 63 119.200 119.200 118.764 0.436 18255
8690 1 20 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.107 -0.217 18255
8691 1 20 . 1 1 63 63 LEU CA C 63 58.100 58.100 57.912 0.188 18255
8692 1 20 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.564 0.336 18255
8693 1 20 . 1 1 63 63 LEU H H 63 8.350 8.350 8.048 0.302 18255
8694 1 20 . 1 1 64 64 GLN N N 64 119.000 119.000 119.781 -0.781 18255
8695 1 20 . 1 1 64 64 GLN HA H 64 4.030 4.030 3.942 0.089 18255
8696 1 20 . 1 1 64 64 GLN C C 64 178.400 178.400 178.201 0.199 18255
8697 1 20 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.174 -0.574 18255
8698 1 20 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.607 -0.307 18255
8699 1 20 . 1 1 64 64 GLN H H 64 7.910 7.910 8.296 -0.386 18255
8700 1 20 . 1 1 65 65 ARG N N 65 120.000 120.000 120.366 -0.366 18255
8701 1 20 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.116 -0.116 18255
8702 1 20 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.630 -0.330 18255
8703 1 20 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.160 -0.260 18255
8704 1 20 . 1 1 65 65 ARG H H 65 7.940 7.940 7.987 -0.047 18255
8705 1 20 . 1 1 66 66 ILE HA H 66 3.370 3.370 4.056 -0.686 18255
8706 1 20 . 1 1 66 66 ILE C C 66 176.700 176.700 177.597 -0.897 18255
8707 1 20 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.302 1.198 18255
8708 1 20 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.816 0.084 18255
8709 1 20 . 1 1 67 67 GLU N N 67 118.400 118.400 119.957 -1.557 18255
8710 1 20 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.161 -0.211 18255
8711 1 20 . 1 1 67 67 GLU C C 67 178.600 178.600 178.854 -0.254 18255
8712 1 20 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.462 0.839 18255
8713 1 20 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.042 0.258 18255
8714 1 20 . 1 1 67 67 GLU H H 67 7.600 7.600 7.835 -0.235 18255
8715 1 20 . 1 1 68 68 GLN N N 68 116.400 116.400 116.079 0.321 18255
8716 1 20 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.222 -0.102 18255
8717 1 20 . 1 1 68 68 GLN C C 68 177.400 177.400 176.952 0.448 18255
8718 1 20 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.726 0.874 18255
8719 1 20 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.613 -0.013 18255
8720 1 20 . 1 1 68 68 GLN H H 68 7.620 7.620 7.981 -0.361 18255
8721 1 20 . 1 1 69 69 LEU N N 69 120.000 120.000 118.795 1.205 18255
8722 1 20 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.453 -0.363 18255
8723 1 20 . 1 1 69 69 LEU C C 69 176.600 176.600 177.578 -0.978 18255
8724 1 20 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.160 0.640 18255
8725 1 20 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.505 -0.605 18255
8726 1 20 . 1 1 69 69 LEU H H 69 7.900 7.900 7.670 0.230 18255
8727 1 20 . 1 1 70 70 TRP N N 70 119.200 119.200 120.173 -0.973 18255
8728 1 20 . 1 1 70 70 TRP C C 70 177.100 177.100 177.960 -0.860 18255
8729 1 20 . 1 1 70 70 TRP CA C 70 58.000 58.000 59.783 -1.783 18255
8730 1 20 . 1 1 70 70 TRP CB C 70 29.300 29.300 31.541 -2.241 18255
8731 1 20 . 1 1 70 70 TRP H H 70 8.120 8.120 7.620 0.500 18255
8732 1 20 . 1 1 71 71 THR N N 71 114.500 114.500 113.141 1.359 18255
8733 1 20 . 1 1 71 71 THR HA H 71 4.160 4.160 4.180 -0.020 18255
8734 1 20 . 1 1 71 71 THR C C 71 174.700 174.700 174.653 0.047 18255
8735 1 20 . 1 1 71 71 THR CA C 71 63.700 63.700 65.542 -1.842 18255
8736 1 20 . 1 1 71 71 THR CB C 71 69.500 69.500 68.294 1.206 18255
8737 1 20 . 1 1 71 71 THR H H 71 7.960 7.960 8.371 -0.411 18255
8738 1 20 . 1 1 72 72 ASP N N 72 120.700 120.700 119.776 0.924 18255
8739 1 20 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.337 0.223 18255
8740 1 20 . 1 1 72 72 ASP CA C 72 55.000 55.000 55.824 -0.824 18255
8741 1 20 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.231 0.569 18255
8742 1 20 . 1 1 72 72 ASP H H 72 8.140 8.140 8.555 -0.415 18255
8743 1 20 . 1 1 74 74 VAL N N 74 121.700 121.700 124.414 -2.714 18255
8744 1 20 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.449 -0.109 18255
8745 1 20 . 1 1 74 74 VAL CA C 74 60.100 60.100 58.342 1.758 18255
8746 1 20 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.651 -1.151 18255
8747 1 20 . 1 1 74 74 VAL H H 74 7.950 7.950 8.221 -0.271 18255
8748 1 20 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.610 -0.230 18255
8749 1 20 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.343 0.957 18255
8750 1 20 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.588 -0.388 18255
8751 1 20 . 1 1 76 76 ALA N N 76 124.200 124.200 121.299 2.901 18255
8752 1 20 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.094 0.046 18255
8753 1 20 . 1 1 76 76 ALA C C 76 178.400 178.400 179.584 -1.184 18255
8754 1 20 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.655 -0.855 18255
8755 1 20 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.113 0.587 18255
8756 1 20 . 1 1 76 76 ALA H H 76 8.600 8.600 8.419 0.181 18255
8757 1 20 . 1 1 77 77 SER N N 77 112.900 112.900 114.216 -1.316 18255
8758 1 20 . 1 1 77 77 SER HA H 77 4.340 4.340 4.212 0.128 18255
8759 1 20 . 1 1 77 77 SER C C 77 175.200 175.200 176.607 -1.407 18255
8760 1 20 . 1 1 77 77 SER CA C 77 59.200 59.200 60.774 -1.574 18255
8761 1 20 . 1 1 77 77 SER CB C 77 63.200 63.200 62.555 0.645 18255
8762 1 20 . 1 1 77 77 SER H H 77 8.310 8.310 8.162 0.148 18255
8763 1 20 . 1 1 78 78 VAL N N 78 121.700 121.700 122.349 -0.649 18255
8764 1 20 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.775 0.245 18255
8765 1 20 . 1 1 78 78 VAL C C 78 176.600 176.600 177.159 -0.559 18255
8766 1 20 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.190 -1.790 18255
8767 1 20 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.608 0.692 18255
8768 1 20 . 1 1 78 78 VAL H H 78 7.810 7.810 7.897 -0.087 18255
8769 1 20 . 1 1 79 79 ARG N N 79 121.900 121.900 118.556 3.344 18255
8770 1 20 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.170 -0.010 18255
8771 1 20 . 1 1 79 79 ARG CA C 79 57.300 57.300 59.304 -2.005 18255
8772 1 20 . 1 1 79 79 ARG CB C 79 30.500 30.500 30.125 0.375 18255
8773 1 20 . 1 1 79 79 ARG H H 79 8.100 8.100 8.086 0.014 18255
8774 1 20 . 1 1 80 80 GLU N N 80 119.600 119.600 118.507 1.093 18255
8775 1 20 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.110 0.890 18255
8776 1 20 . 1 1 80 80 GLU H H 80 8.260 8.260 7.602 0.658 18255
8777 1 20 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.450 0.100 18255
8778 1 20 . 1 1 81 81 HIS C C 81 175.600 175.600 175.770 -0.170 18255
8779 1 20 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.398 -1.198 18255
8780 1 20 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.776 -0.377 18255
8781 1 20 . 1 1 82 82 LEU N N 82 121.500 121.500 121.049 0.451 18255
8782 1 20 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.461 -0.201 18255
8783 1 20 . 1 1 82 82 LEU C C 82 177.200 177.200 175.633 1.567 18255
8784 1 20 . 1 1 82 82 LEU CA C 82 55.600 55.600 54.945 0.655 18255
8785 1 20 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.959 -0.859 18255
8786 1 20 . 1 1 82 82 LEU H H 82 8.120 8.120 7.251 0.869 18255
8787 1 20 . 1 1 83 83 ASN N N 83 118.300 118.300 121.393 -3.093 18255
8788 1 20 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.726 -0.086 18255
8789 1 20 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.268 0.232 18255
8790 1 20 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.483 -0.884 18255
8791 1 20 . 1 1 83 83 ASN H H 83 8.400 8.400 8.465 -0.065 18255
8792 1 20 . 1 1 85 85 HIS C C 85 174.900 174.900 174.085 0.815 18255
8793 1 20 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.660 0.640 18255
8794 1 20 . 1 1 85 85 HIS CB C 85 30.600 30.600 27.878 2.722 18255
8795 1 20 . 1 1 86 86 SER N N 86 116.700 116.700 115.874 0.826 18255
8796 1 20 . 1 1 86 86 SER C C 86 174.100 174.100 174.204 -0.104 18255
8797 1 20 . 1 1 86 86 SER CA C 86 58.400 58.400 59.027 -0.627 18255
8798 1 20 . 1 1 86 86 SER CB C 86 64.300 64.300 62.399 1.901 18255
8799 1 20 . 1 1 86 86 SER H H 86 8.220 8.220 7.871 0.349 18255
8800 1 20 . 1 1 87 87 GLY N N 87 110.400 110.400 111.868 -1.468 18255
8801 1 20 . 1 1 87 87 GLY CA C 87 44.500 44.500 43.677 0.823 18255
8802 1 20 . 1 1 87 87 GLY H H 87 8.310 8.310 8.451 -0.141 18255
8803 1 20 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.383 -0.013 18255
8804 1 20 . 1 1 88 88 PRO C C 88 177.400 177.400 177.640 -0.240 18255
8805 1 20 . 1 1 88 88 PRO CA C 88 63.200 63.200 63.594 -0.394 18255
8806 1 20 . 1 1 88 88 PRO CB C 88 32.000 32.000 31.917 0.083 18255
8807 1 20 . 1 1 89 89 GLY N N 89 109.300 109.300 106.468 2.832 18255
8808 1 20 . 1 1 89 89 GLY C C 89 173.800 173.800 174.124 -0.324 18255
8809 1 20 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.987 0.213 18255
8810 1 20 . 1 1 89 89 GLY H H 89 8.500 8.500 8.530 -0.030 18255
8811 1 20 . 1 1 90 90 ILE N N 90 119.600 119.600 123.782 -4.182 18255
8812 1 20 . 1 1 90 90 ILE HA H 90 4.080 4.080 3.961 0.119 18255
8813 1 20 . 1 1 90 90 ILE C C 90 175.400 175.400 174.980 0.420 18255
8814 1 20 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.945 0.055 18255
8815 1 20 . 1 1 90 90 ILE CB C 90 38.900 38.900 38.357 0.543 18255
8816 1 20 . 1 1 90 90 ILE H H 90 7.910 7.910 7.702 0.208 18255
8817 1 20 . 1 1 91 91 ASP N N 91 123.400 123.400 124.946 -1.546 18255
8818 1 20 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.427 0.143 18255
8819 1 20 . 1 1 91 91 ASP C C 91 175.700 175.700 174.185 1.515 18255
8820 1 20 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.498 0.402 18255
8821 1 20 . 1 1 91 91 ASP CB C 91 41.100 41.100 41.544 -0.444 18255
8822 1 20 . 1 1 91 91 ASP H H 91 8.350 8.350 8.156 0.194 18255
8823 1 20 . 1 1 92 92 TYR N N 92 120.800 120.800 119.439 1.361 18255
8824 1 20 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.568 -0.108 18255
8825 1 20 . 1 1 92 92 TYR C C 92 175.200 175.200 174.812 0.388 18255
8826 1 20 . 1 1 92 92 TYR CA C 92 58.000 58.000 56.275 1.725 18255
8827 1 20 . 1 1 92 92 TYR CB C 92 38.600 38.600 40.343 -1.743 18255
8828 1 20 . 1 1 92 92 TYR H H 92 8.050 8.050 7.877 0.173 18255
8829 1 20 . 1 1 93 93 ALA N N 93 124.700 124.700 122.403 2.297 18255
8830 1 20 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.449 -0.149 18255
8831 1 20 . 1 1 93 93 ALA C C 93 177.100 177.100 177.380 -0.280 18255
8832 1 20 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.961 0.439 18255
8833 1 20 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.066 -0.766 18255
8834 1 20 . 1 1 93 93 ALA H H 93 8.170 8.170 8.328 -0.158 18255
8835 1 20 . 1 1 94 94 VAL N N 94 119.400 119.400 118.991 0.409 18255
8836 1 20 . 1 1 94 94 VAL HA H 94 4.050 4.050 3.933 0.117 18255
8837 1 20 . 1 1 94 94 VAL C C 94 175.100 175.100 175.537 -0.437 18255
8838 1 20 . 1 1 94 94 VAL CA C 94 62.400 62.400 61.597 0.803 18255
8839 1 20 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.819 0.481 18255
8840 1 20 . 1 1 94 94 VAL H H 94 8.000 8.000 8.608 -0.608 18255
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 73 2.985 0.658 2.932 18255
2 1 1 "Average Difference" HA 82 0.278 0.013 0.279 18255
3 1 1 "Average Difference" C 70 1.033 -0.058 1.039 18255
4 1 1 "Average Difference" CA 84 1.203 0.105 1.206 18255
5 1 1 "Average Difference" CB 77 1.080 0.000 1.088 18255
6 1 1 "Average Difference" HN 74 0.448 -0.035 0.449 18255
7 1 2 "Average Difference" N 73 2.668 0.158 2.682 18255
8 1 2 "Average Difference" HA 82 0.331 -0.024 0.332 18255
9 1 2 "Average Difference" C 70 0.939 -0.116 0.938 18255
10 1 2 "Average Difference" CA 84 0.990 0.055 0.995 18255
11 1 2 "Average Difference" CB 77 1.230 0.106 1.234 18255
12 1 2 "Average Difference" HN 74 0.394 -0.056 0.393 18255
13 1 3 "Average Difference" N 73 2.797 0.335 2.796 18255
14 1 3 "Average Difference" HA 82 0.330 0.021 0.332 18255
15 1 3 "Average Difference" C 70 0.994 -0.118 0.994 18255
16 1 3 "Average Difference" CA 84 1.114 0.003 1.121 18255
17 1 3 "Average Difference" CB 77 1.189 0.095 1.193 18255
18 1 3 "Average Difference" HN 74 0.453 -0.066 0.451 18255
19 1 4 "Average Difference" N 73 2.713 0.102 2.730 18255
20 1 4 "Average Difference" HA 82 0.259 0.053 0.255 18255
21 1 4 "Average Difference" C 70 1.046 -0.271 1.018 18255
22 1 4 "Average Difference" CA 84 0.967 -0.191 0.954 18255
23 1 4 "Average Difference" CB 77 1.202 0.278 1.177 18255
24 1 4 "Average Difference" HN 74 0.381 -0.028 0.383 18255
25 1 5 "Average Difference" N 73 2.766 0.386 2.758 18255
26 1 5 "Average Difference" HA 82 0.277 0.040 0.276 18255
27 1 5 "Average Difference" C 70 1.032 -0.194 1.021 18255
28 1 5 "Average Difference" CA 84 1.095 -0.121 1.095 18255
29 1 5 "Average Difference" CB 77 1.204 0.204 1.195 18255
30 1 5 "Average Difference" HN 74 0.387 -0.054 0.386 18255
31 1 6 "Average Difference" N 73 2.820 0.489 2.797 18255
32 1 6 "Average Difference" HA 82 0.336 0.048 0.335 18255
33 1 6 "Average Difference" C 70 0.905 -0.107 0.905 18255
34 1 6 "Average Difference" CA 84 1.077 -0.001 1.084 18255
35 1 6 "Average Difference" CB 77 1.189 0.094 1.193 18255
36 1 6 "Average Difference" HN 74 0.411 0.001 0.414 18255
37 1 7 "Average Difference" N 73 2.778 0.228 2.788 18255
38 1 7 "Average Difference" HA 82 0.317 0.009 0.318 18255
39 1 7 "Average Difference" C 70 0.935 0.109 0.935 18255
40 1 7 "Average Difference" CA 84 1.068 0.040 1.074 18255
41 1 7 "Average Difference" CB 77 1.213 -0.037 1.221 18255
42 1 7 "Average Difference" HN 74 0.409 -0.036 0.410 18255
43 1 8 "Average Difference" N 73 2.929 0.177 2.944 18255
44 1 8 "Average Difference" HA 82 0.319 0.017 0.321 18255
45 1 8 "Average Difference" C 70 0.932 -0.084 0.935 18255
46 1 8 "Average Difference" CA 84 1.059 -0.061 1.064 18255
47 1 8 "Average Difference" CB 77 1.303 0.012 1.312 18255
48 1 8 "Average Difference" HN 74 0.399 -0.043 0.399 18255
49 1 9 "Average Difference" N 73 2.716 0.303 2.718 18255
50 1 9 "Average Difference" HA 82 0.279 -0.008 0.281 18255
51 1 9 "Average Difference" C 70 1.068 -0.030 1.076 18255
52 1 9 "Average Difference" CA 84 1.085 0.063 1.090 18255
53 1 9 "Average Difference" CB 77 1.130 -0.097 1.133 18255
54 1 9 "Average Difference" HN 74 0.440 -0.039 0.441 18255
55 1 10 "Average Difference" N 73 2.761 0.364 2.756 18255
56 1 10 "Average Difference" HA 82 0.280 0.011 0.281 18255
57 1 10 "Average Difference" C 70 0.968 -0.007 0.975 18255
58 1 10 "Average Difference" CA 84 1.101 -0.060 1.106 18255
59 1 10 "Average Difference" CB 77 1.310 -0.036 1.319 18255
60 1 10 "Average Difference" HN 74 0.441 -0.054 0.441 18255
61 1 11 "Average Difference" N 73 3.034 0.493 3.015 18255
62 1 11 "Average Difference" HA 82 0.324 -0.002 0.326 18255
63 1 11 "Average Difference" C 70 1.031 -0.192 1.020 18255
64 1 11 "Average Difference" CA 84 0.990 -0.008 0.996 18255
65 1 11 "Average Difference" CB 77 1.232 0.143 1.231 18255
66 1 11 "Average Difference" HN 74 0.352 -0.047 0.351 18255
67 1 12 "Average Difference" N 73 2.708 0.197 2.719 18255
68 1 12 "Average Difference" HA 82 0.275 0.034 0.274 18255
69 1 12 "Average Difference" C 70 0.962 -0.107 0.963 18255
70 1 12 "Average Difference" CA 84 1.149 -0.017 1.156 18255
71 1 12 "Average Difference" CB 77 1.130 -0.000 1.138 18255
72 1 12 "Average Difference" HN 74 0.388 -0.084 0.381 18255
73 1 13 "Average Difference" N 73 2.489 0.212 2.497 18255
74 1 13 "Average Difference" HA 82 0.276 0.022 0.277 18255
75 1 13 "Average Difference" C 70 1.042 -0.002 1.049 18255
76 1 13 "Average Difference" CA 84 1.175 0.029 1.182 18255
77 1 13 "Average Difference" CB 77 1.030 0.055 1.036 18255
78 1 13 "Average Difference" HN 74 0.406 -0.042 0.406 18255
79 1 14 "Average Difference" N 73 2.584 0.314 2.583 18255
80 1 14 "Average Difference" HA 82 0.309 0.032 0.309 18255
81 1 14 "Average Difference" C 70 1.015 -0.078 1.019 18255
82 1 14 "Average Difference" CA 84 1.118 -0.080 1.122 18255
83 1 14 "Average Difference" CB 77 1.087 -0.017 1.094 18255
84 1 14 "Average Difference" HN 74 0.404 -0.018 0.407 18255
85 1 15 "Average Difference" N 73 2.318 0.787 2.195 18255
86 1 15 "Average Difference" HA 82 0.249 0.005 0.251 18255
87 1 15 "Average Difference" C 70 0.959 -0.174 0.950 18255
88 1 15 "Average Difference" CA 84 1.040 -0.099 1.041 18255
89 1 15 "Average Difference" CB 77 1.168 0.011 1.176 18255
90 1 15 "Average Difference" HN 74 0.380 -0.040 0.381 18255
91 1 16 "Average Difference" N 73 2.684 0.976 2.518 18255
92 1 16 "Average Difference" HA 82 0.308 0.028 0.309 18255
93 1 16 "Average Difference" C 70 1.091 -0.134 1.090 18255
94 1 16 "Average Difference" CA 84 0.993 -0.099 0.994 18255
95 1 16 "Average Difference" CB 77 1.329 0.122 1.332 18255
96 1 16 "Average Difference" HN 74 0.457 -0.049 0.457 18255
97 1 17 "Average Difference" N 73 3.040 0.520 3.016 18255
98 1 17 "Average Difference" HA 82 0.296 0.012 0.298 18255
99 1 17 "Average Difference" C 70 0.992 -0.225 0.973 18255
100 1 17 "Average Difference" CA 84 1.165 -0.101 1.168 18255
101 1 17 "Average Difference" CB 77 1.223 0.246 1.206 18255
102 1 17 "Average Difference" HN 74 0.359 -0.012 0.362 18255
103 1 18 "Average Difference" N 73 2.854 0.721 2.781 18255
104 1 18 "Average Difference" HA 82 0.280 0.025 0.280 18255
105 1 18 "Average Difference" C 70 1.049 -0.056 1.055 18255
106 1 18 "Average Difference" CA 84 1.096 -0.060 1.101 18255
107 1 18 "Average Difference" CB 77 1.163 0.117 1.165 18255
108 1 18 "Average Difference" HN 74 0.402 -0.026 0.404 18255
109 1 19 "Average Difference" N 73 2.557 0.356 2.550 18255
110 1 19 "Average Difference" HA 82 0.288 -0.042 0.286 18255
111 1 19 "Average Difference" C 70 1.028 0.056 1.033 18255
112 1 19 "Average Difference" CA 84 1.129 0.180 1.121 18255
113 1 19 "Average Difference" CB 77 1.217 -0.083 1.223 18255
114 1 19 "Average Difference" HN 74 0.391 -0.046 0.391 18255
115 1 20 "Average Difference" N 73 2.567 0.427 2.549 18255
116 1 20 "Average Difference" HA 82 0.316 0.010 0.318 18255
117 1 20 "Average Difference" C 70 1.037 -0.229 1.019 18255
118 1 20 "Average Difference" CA 84 0.993 -0.113 0.993 18255
119 1 20 "Average Difference" CB 77 1.250 0.217 1.239 18255
120 1 20 "Average Difference" HN 74 0.396 -0.032 0.398 18255
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 18255
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ALA HA H 2 3.960 3.960 4.321 -0.361 18255
2 1 . 1 1 2 2 ALA CA C 2 51.700 51.700 52.530 -0.830 18255
3 1 . 1 1 2 2 ALA CB C 2 19.700 19.700 18.912 0.788 18255
4 1 . 1 1 8 8 HIS C C 8 175.200 175.200 174.138 1.062 18255
5 1 . 1 1 8 8 HIS CA C 8 56.600 56.600 55.914 0.686 18255
6 1 . 1 1 8 8 HIS CB C 8 30.800 30.800 30.452 0.348 18255
7 1 . 1 1 9 9 MET N N 9 121.800 121.800 122.448 -0.648 18255
8 1 . 1 1 9 9 MET C C 9 176.400 176.400 175.853 0.547 18255
9 1 . 1 1 9 9 MET CA C 9 55.800 55.800 55.560 0.240 18255
10 1 . 1 1 9 9 MET CB C 9 32.800 32.800 34.032 -1.232 18255
11 1 . 1 1 9 9 MET H H 9 8.470 8.470 8.292 0.178 18255
12 1 . 1 1 10 10 GLY N N 10 109.800 109.800 109.434 0.366 18255
13 1 . 1 1 10 10 GLY C C 10 174.100 174.100 174.541 -0.441 18255
14 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.213 0.087 18255
15 1 . 1 1 10 10 GLY H H 10 8.490 8.490 8.331 0.159 18255
16 1 . 1 1 11 11 THR N N 11 113.600 113.600 115.497 -1.897 18255
17 1 . 1 1 11 11 THR HA H 11 3.710 3.710 4.304 -0.594 18255
18 1 . 1 1 11 11 THR C C 11 174.600 174.600 174.796 -0.196 18255
19 1 . 1 1 11 11 THR CA C 11 62.400 62.400 63.135 -0.735 18255
20 1 . 1 1 11 11 THR CB C 11 70.100 70.100 69.587 0.513 18255
21 1 . 1 1 11 11 THR H H 11 8.100 8.100 8.193 -0.093 18255
22 1 . 1 1 12 12 LEU N N 12 123.900 123.900 120.901 2.999 18255
23 1 . 1 1 12 12 LEU HA H 12 4.300 4.300 4.577 -0.277 18255
24 1 . 1 1 12 12 LEU C C 12 177.400 177.400 176.302 1.098 18255
25 1 . 1 1 12 12 LEU CA C 12 55.600 55.600 54.955 0.645 18255
26 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.237 -1.137 18255
27 1 . 1 1 12 12 LEU H H 12 8.350 8.350 7.972 0.378 18255
28 1 . 1 1 13 13 GLU N N 13 121.300 121.300 119.247 2.053 18255
29 1 . 1 1 13 13 GLU HA H 13 4.190 4.190 4.450 -0.260 18255
30 1 . 1 1 13 13 GLU C C 13 176.200 176.200 175.490 0.710 18255
31 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.952 0.948 18255
32 1 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.019 -0.019 18255
33 1 . 1 1 13 13 GLU H H 13 8.420 8.420 8.387 0.033 18255
34 1 . 1 1 14 14 ALA N N 14 124.100 124.100 124.061 0.039 18255
35 1 . 1 1 14 14 ALA HA H 14 4.260 4.260 4.465 -0.205 18255
36 1 . 1 1 14 14 ALA C C 14 177.700 177.700 176.611 1.089 18255
37 1 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.247 0.453 18255
38 1 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.694 -0.594 18255
39 1 . 1 1 14 14 ALA H H 14 8.260 8.260 8.293 -0.033 18255
40 1 . 1 1 15 15 GLN N N 15 119.100 119.100 120.440 -1.340 18255
41 1 . 1 1 15 15 GLN HA H 15 4.360 4.360 4.414 -0.054 18255
42 1 . 1 1 15 15 GLN C C 15 176.200 176.200 175.565 0.635 18255
43 1 . 1 1 15 15 GLN CA C 15 55.900 55.900 55.713 0.187 18255
44 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.121 0.179 18255
45 1 . 1 1 15 15 GLN H H 15 8.340 8.340 8.338 0.003 18255
46 1 . 1 1 16 16 THR N N 16 114.600 114.600 115.625 -1.025 18255
47 1 . 1 1 16 16 THR HA H 16 4.320 4.320 4.243 0.077 18255
48 1 . 1 1 16 16 THR C C 16 174.300 174.300 174.559 -0.259 18255
49 1 . 1 1 16 16 THR CA C 16 61.900 61.900 62.704 -0.804 18255
50 1 . 1 1 16 16 THR CB C 16 69.700 69.700 68.928 0.772 18255
51 1 . 1 1 16 16 THR H H 16 8.160 8.160 8.510 -0.350 18255
52 1 . 1 1 17 17 GLN N N 17 122.200 122.200 121.688 0.512 18255
53 1 . 1 1 17 17 GLN C C 17 175.800 175.800 175.407 0.393 18255
54 1 . 1 1 17 17 GLN CA C 17 55.900 55.900 55.897 0.003 18255
55 1 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.745 -0.145 18255
56 1 . 1 1 17 17 GLN H H 17 8.410 8.410 7.982 0.428 18255
57 1 . 1 1 18 18 GLY N N 18 110.100 110.100 109.781 0.319 18255
58 1 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.044 0.556 18255
59 1 . 1 1 18 18 GLY H H 18 8.340 8.340 8.169 0.171 18255
60 1 . 1 1 19 19 PRO HA H 19 4.430 4.430 4.455 -0.025 18255
61 1 . 1 1 19 19 PRO C C 19 177.500 177.500 176.857 0.643 18255
62 1 . 1 1 19 19 PRO CA C 19 63.500 63.500 62.893 0.607 18255
63 1 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.110 -0.010 18255
64 1 . 1 1 20 20 GLY N N 20 109.600 109.600 109.347 0.253 18255
65 1 . 1 1 20 20 GLY C C 20 174.000 174.000 173.754 0.246 18255
66 1 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.945 0.255 18255
67 1 . 1 1 20 20 GLY H H 20 8.620 8.620 8.188 0.432 18255
68 1 . 1 1 21 21 SER N N 21 115.300 115.300 117.116 -1.816 18255
69 1 . 1 1 21 21 SER HA H 21 4.460 4.460 4.552 -0.092 18255
70 1 . 1 1 21 21 SER C C 21 174.700 174.700 174.320 0.380 18255
71 1 . 1 1 21 21 SER CA C 21 58.400 58.400 58.147 0.253 18255
72 1 . 1 1 21 21 SER CB C 21 64.000 64.000 64.214 -0.214 18255
73 1 . 1 1 21 21 SER H H 21 8.240 8.240 8.363 -0.123 18255
74 1 . 1 1 22 22 MET N N 22 122.000 122.000 121.332 0.668 18255
75 1 . 1 1 22 22 MET HA H 22 4.530 4.530 4.518 0.012 18255
76 1 . 1 1 22 22 MET C C 22 176.000 176.000 175.299 0.701 18255
77 1 . 1 1 22 22 MET CA C 22 55.700 55.700 55.408 0.292 18255
78 1 . 1 1 22 22 MET CB C 22 32.600 32.600 32.040 0.560 18255
79 1 . 1 1 22 22 MET H H 22 8.570 8.570 8.306 0.264 18255
80 1 . 1 1 23 23 ASP N N 23 120.600 120.600 122.006 -1.406 18255
81 1 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.672 -0.042 18255
82 1 . 1 1 23 23 ASP C C 23 175.700 175.700 175.521 0.179 18255
83 1 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.404 0.396 18255
84 1 . 1 1 23 23 ASP CB C 23 41.000 41.000 41.942 -0.942 18255
85 1 . 1 1 23 23 ASP H H 23 8.330 8.330 8.091 0.239 18255
86 1 . 1 1 24 24 ASP N N 24 119.800 119.800 120.131 -0.331 18255
87 1 . 1 1 24 24 ASP HA H 24 4.660 4.660 4.630 0.030 18255
88 1 . 1 1 24 24 ASP C C 24 175.800 175.800 175.856 -0.056 18255
89 1 . 1 1 24 24 ASP CA C 24 54.100 54.100 54.243 -0.143 18255
90 1 . 1 1 24 24 ASP CB C 24 41.300 41.300 42.100 -0.800 18255
91 1 . 1 1 24 24 ASP H H 24 8.250 8.250 8.322 -0.072 18255
92 1 . 1 1 25 25 GLU N N 25 120.600 120.600 120.565 0.035 18255
93 1 . 1 1 25 25 GLU HA H 25 4.220 4.220 4.360 -0.140 18255
94 1 . 1 1 25 25 GLU C C 25 175.200 175.200 175.951 -0.751 18255
95 1 . 1 1 25 25 GLU CA C 25 56.400 56.400 56.122 0.278 18255
96 1 . 1 1 25 25 GLU CB C 25 30.500 30.500 29.655 0.845 18255
97 1 . 1 1 25 25 GLU H H 25 8.190 8.190 8.457 -0.267 18255
98 1 . 1 1 26 26 LEU N N 26 121.500 121.500 123.157 -1.657 18255
99 1 . 1 1 26 26 LEU HA H 26 4.540 4.540 4.399 0.141 18255
100 1 . 1 1 26 26 LEU C C 26 175.200 175.200 176.292 -1.092 18255
101 1 . 1 1 26 26 LEU CA C 26 54.000 54.000 54.823 -0.823 18255
102 1 . 1 1 26 26 LEU CB C 26 43.700 43.700 42.339 1.361 18255
103 1 . 1 1 26 26 LEU H H 26 8.270 8.270 8.358 -0.088 18255
104 1 . 1 1 27 27 TYR N N 27 119.400 119.400 119.085 0.315 18255
105 1 . 1 1 27 27 TYR HA H 27 4.970 4.970 5.119 -0.149 18255
106 1 . 1 1 27 27 TYR C C 27 173.100 173.100 174.999 -1.899 18255
107 1 . 1 1 27 27 TYR CA C 27 56.700 56.700 56.894 -0.194 18255
108 1 . 1 1 27 27 TYR CB C 27 43.900 43.900 42.517 1.383 18255
109 1 . 1 1 27 27 TYR H H 27 9.250 9.250 8.922 0.328 18255
110 1 . 1 1 28 28 PHE N N 28 114.700 114.700 119.465 -4.765 18255
111 1 . 1 1 28 28 PHE HA H 28 5.070 5.070 4.892 0.178 18255
112 1 . 1 1 28 28 PHE C C 28 178.100 178.100 174.556 3.544 18255
113 1 . 1 1 28 28 PHE CA C 28 57.100 57.100 56.444 0.656 18255
114 1 . 1 1 28 28 PHE CB C 28 42.500 42.500 43.684 -1.184 18255
115 1 . 1 1 28 28 PHE H H 28 9.510 9.510 9.351 0.159 18255
116 1 . 1 1 29 29 VAL N N 29 121.100 121.100 121.797 -0.697 18255
117 1 . 1 1 29 29 VAL HA H 29 4.480 4.480 4.744 -0.264 18255
118 1 . 1 1 29 29 VAL C C 29 175.200 175.200 175.110 0.090 18255
119 1 . 1 1 29 29 VAL CA C 29 64.000 64.000 62.179 1.821 18255
120 1 . 1 1 29 29 VAL CB C 29 31.900 31.900 32.117 -0.217 18255
121 1 . 1 1 29 29 VAL H H 29 9.110 9.110 8.829 0.281 18255
122 1 . 1 1 30 30 VAL N N 30 119.800 119.800 120.731 -0.931 18255
123 1 . 1 1 30 30 VAL HA H 30 5.550 5.550 5.532 0.018 18255
124 1 . 1 1 30 30 VAL C C 30 173.800 173.800 174.128 -0.328 18255
125 1 . 1 1 30 30 VAL CA C 30 58.000 58.000 59.128 -1.127 18255
126 1 . 1 1 30 30 VAL CB C 30 36.100 36.100 36.247 -0.147 18255
127 1 . 1 1 30 30 VAL H H 30 8.890 8.890 9.173 -0.283 18255
128 1 . 1 1 31 31 ARG N N 31 119.700 119.700 117.538 2.162 18255
129 1 . 1 1 31 31 ARG HA H 31 5.190 5.190 4.812 0.378 18255
130 1 . 1 1 31 31 ARG CA C 31 53.500 53.500 55.128 -1.628 18255
131 1 . 1 1 31 31 ARG CB C 31 34.100 34.100 33.288 0.812 18255
132 1 . 1 1 31 31 ARG H H 31 8.980 8.980 9.075 -0.095 18255
133 1 . 1 1 32 32 ASN HA H 32 4.240 4.240 4.704 -0.464 18255
134 1 . 1 1 32 32 ASN C C 32 176.600 176.600 174.604 1.996 18255
135 1 . 1 1 32 32 ASN CA C 32 49.700 49.700 52.751 -3.051 18255
136 1 . 1 1 32 32 ASN CB C 32 36.700 36.700 40.590 -3.890 18255
137 1 . 1 1 33 33 ASN N N 33 114.800 114.800 118.949 -4.149 18255
138 1 . 1 1 33 33 ASN HA H 33 4.290 4.290 4.265 0.025 18255
139 1 . 1 1 33 33 ASN C C 33 175.600 175.600 175.090 0.510 18255
140 1 . 1 1 33 33 ASN CA C 33 55.500 55.500 55.181 0.319 18255
141 1 . 1 1 33 33 ASN CB C 33 37.800 37.800 37.834 -0.034 18255
142 1 . 1 1 33 33 ASN H H 33 7.760 7.760 8.841 -1.081 18255
143 1 . 1 1 34 34 GLU N N 34 116.900 116.900 116.866 0.034 18255
144 1 . 1 1 34 34 GLU HA H 34 4.310 4.310 4.340 -0.030 18255
145 1 . 1 1 34 34 GLU C C 34 176.200 176.200 177.243 -1.043 18255
146 1 . 1 1 34 34 GLU CA C 34 55.900 55.900 56.339 -0.439 18255
147 1 . 1 1 34 34 GLU CB C 34 29.500 29.500 29.961 -0.461 18255
148 1 . 1 1 34 34 GLU H H 34 7.340 7.340 7.972 -0.632 18255
149 1 . 1 1 35 35 GLY N N 35 107.000 107.000 108.449 -1.449 18255
150 1 . 1 1 35 35 GLY C C 35 173.400 173.400 173.919 -0.519 18255
151 1 . 1 1 35 35 GLY CA C 35 45.400 45.400 45.473 -0.073 18255
152 1 . 1 1 35 35 GLY H H 35 7.720 7.720 8.364 -0.644 18255
153 1 . 1 1 36 36 GLN N N 36 117.700 117.700 118.442 -0.742 18255
154 1 . 1 1 36 36 GLN HA H 36 4.280 4.280 3.818 0.462 18255
155 1 . 1 1 36 36 GLN CA C 36 54.500 54.500 54.603 -0.103 18255
156 1 . 1 1 36 36 GLN CB C 36 29.500 29.500 30.280 -0.780 18255
157 1 . 1 1 36 36 GLN H H 36 7.570 7.570 7.486 0.084 18255
158 1 . 1 1 37 37 TYR C C 37 176.300 176.300 175.359 0.941 18255
159 1 . 1 1 37 37 TYR CA C 37 57.500 57.500 57.547 -0.047 18255
160 1 . 1 1 37 37 TYR CB C 37 42.800 42.800 40.757 2.043 18255
161 1 . 1 1 38 38 SER N N 38 114.700 114.700 116.335 -1.634 18255
162 1 . 1 1 38 38 SER HA H 38 5.770 5.770 4.960 0.810 18255
163 1 . 1 1 38 38 SER C C 38 173.100 173.100 172.871 0.229 18255
164 1 . 1 1 38 38 SER CA C 38 57.300 57.300 57.301 -0.001 18255
165 1 . 1 1 38 38 SER CB C 38 64.400 64.400 66.392 -1.992 18255
166 1 . 1 1 38 38 SER H H 38 9.230 9.230 9.013 0.217 18255
167 1 . 1 1 39 39 VAL N N 39 114.000 114.000 115.908 -1.908 18255
168 1 . 1 1 39 39 VAL HA H 39 5.700 5.700 5.341 0.359 18255
169 1 . 1 1 39 39 VAL C C 39 175.200 175.200 174.683 0.517 18255
170 1 . 1 1 39 39 VAL CA C 39 59.900 59.900 60.524 -0.624 18255
171 1 . 1 1 39 39 VAL CB C 39 34.800 34.800 35.697 -0.897 18255
172 1 . 1 1 39 39 VAL H H 39 8.430 8.430 8.526 -0.096 18255
173 1 . 1 1 40 40 TRP N N 40 126.600 126.600 126.520 0.080 18255
174 1 . 1 1 40 40 TRP C C 40 174.000 174.000 173.853 0.147 18255
175 1 . 1 1 40 40 TRP CA C 40 56.500 56.500 56.302 0.198 18255
176 1 . 1 1 40 40 TRP CB C 40 35.700 35.700 33.539 2.161 18255
177 1 . 1 1 40 40 TRP H H 40 9.590 9.590 9.289 0.301 18255
178 1 . 1 1 41 41 MET N N 41 127.700 127.700 125.579 2.121 18255
179 1 . 1 1 41 41 MET HA H 41 3.470 3.470 3.416 0.054 18255
180 1 . 1 1 41 41 MET C C 41 175.000 175.000 174.613 0.387 18255
181 1 . 1 1 41 41 MET CA C 41 56.900 56.900 55.142 1.758 18255
182 1 . 1 1 41 41 MET CB C 41 33.800 33.800 33.146 0.654 18255
183 1 . 1 1 41 41 MET H H 41 7.860 7.860 7.877 -0.017 18255
184 1 . 1 1 42 42 ASP N N 42 123.400 123.400 126.414 -3.014 18255
185 1 . 1 1 42 42 ASP HA H 42 4.520 4.520 4.380 0.140 18255
186 1 . 1 1 42 42 ASP C C 42 176.800 176.800 177.089 -0.289 18255
187 1 . 1 1 42 42 ASP CA C 42 55.500 55.500 55.557 -0.057 18255
188 1 . 1 1 42 42 ASP CB C 42 41.500 41.500 41.791 -0.291 18255
189 1 . 1 1 42 42 ASP H H 42 8.290 8.290 8.037 0.253 18255
190 1 . 1 1 43 43 GLY N N 43 113.300 113.300 110.997 2.303 18255
191 1 . 1 1 43 43 GLY C C 43 174.000 174.000 173.977 0.023 18255
192 1 . 1 1 43 43 GLY CA C 43 45.300 45.300 45.144 0.156 18255
193 1 . 1 1 43 43 GLY H H 43 8.350 8.350 8.554 -0.204 18255
194 1 . 1 1 44 44 ARG N N 44 119.600 119.600 121.564 -1.964 18255
195 1 . 1 1 44 44 ARG C C 44 176.600 176.600 175.649 0.951 18255
196 1 . 1 1 44 44 ARG CA C 44 54.800 54.800 54.909 -0.109 18255
197 1 . 1 1 44 44 ARG CB C 44 31.500 31.500 31.393 0.107 18255
198 1 . 1 1 44 44 ARG H H 44 7.560 7.560 7.689 -0.129 18255
199 1 . 1 1 45 45 SER N N 45 121.000 121.000 119.505 1.496 18255
200 1 . 1 1 45 45 SER HA H 45 4.310 4.310 4.598 -0.288 18255
201 1 . 1 1 45 45 SER C C 45 174.300 174.300 174.187 0.113 18255
202 1 . 1 1 45 45 SER CA C 45 59.400 59.400 58.473 0.927 18255
203 1 . 1 1 45 45 SER CB C 45 63.200 63.200 63.998 -0.798 18255
204 1 . 1 1 45 45 SER H H 45 8.830 8.830 8.637 0.193 18255
205 1 . 1 1 46 46 LEU N N 46 127.900 127.900 125.657 2.243 18255
206 1 . 1 1 46 46 LEU HA H 46 3.850 3.850 4.185 -0.335 18255
207 1 . 1 1 46 46 LEU CA C 46 53.000 53.000 52.264 0.736 18255
208 1 . 1 1 46 46 LEU CB C 46 42.200 42.200 42.067 0.133 18255
209 1 . 1 1 46 46 LEU H H 46 8.610 8.610 8.239 0.371 18255
210 1 . 1 1 47 47 PRO HA H 47 4.180 4.180 4.388 -0.208 18255
211 1 . 1 1 47 47 PRO C C 47 175.700 175.700 176.119 -0.419 18255
212 1 . 1 1 47 47 PRO CA C 47 61.800 61.800 62.444 -0.644 18255
213 1 . 1 1 47 47 PRO CB C 47 31.100 31.100 32.178 -1.078 18255
214 1 . 1 1 48 48 ALA N N 48 123.600 123.600 124.571 -0.971 18255
215 1 . 1 1 48 48 ALA HA H 48 4.100 4.100 4.155 -0.055 18255
216 1 . 1 1 48 48 ALA C C 48 178.800 178.800 178.422 0.378 18255
217 1 . 1 1 48 48 ALA CA C 48 53.500 53.500 53.931 -0.431 18255
218 1 . 1 1 48 48 ALA CB C 48 18.200 18.200 19.004 -0.804 18255
219 1 . 1 1 48 48 ALA H H 48 8.260 8.260 8.255 0.005 18255
220 1 . 1 1 49 49 GLY N N 49 110.200 110.200 111.505 -1.305 18255
221 1 . 1 1 49 49 GLY C C 49 173.800 173.800 174.254 -0.454 18255
222 1 . 1 1 49 49 GLY CA C 49 45.100 45.100 44.547 0.552 18255
223 1 . 1 1 49 49 GLY H H 49 8.720 8.720 8.347 0.373 18255
224 1 . 1 1 50 50 TRP N N 50 119.900 119.900 122.222 -2.322 18255
225 1 . 1 1 50 50 TRP HA H 50 4.670 4.670 4.726 -0.056 18255
226 1 . 1 1 50 50 TRP C C 50 174.900 174.900 176.165 -1.265 18255
227 1 . 1 1 50 50 TRP CA C 50 56.200 56.200 57.540 -1.340 18255
228 1 . 1 1 50 50 TRP CB C 50 30.400 30.400 30.212 0.188 18255
229 1 . 1 1 50 50 TRP H H 50 7.640 7.640 7.974 -0.334 18255
230 1 . 1 1 51 51 GLU N N 51 118.200 118.200 121.141 -2.941 18255
231 1 . 1 1 51 51 GLU C C 51 175.400 175.400 175.475 -0.075 18255
232 1 . 1 1 51 51 GLU CA C 51 54.300 54.300 54.649 -0.349 18255
233 1 . 1 1 51 51 GLU CB C 51 33.600 33.600 32.906 0.694 18255
234 1 . 1 1 51 51 GLU H H 51 8.650 8.650 9.112 -0.462 18255
235 1 . 1 1 52 52 THR N N 52 112.200 112.200 113.346 -1.146 18255
236 1 . 1 1 52 52 THR C C 52 174.800 174.800 174.123 0.677 18255
237 1 . 1 1 52 52 THR CA C 52 62.000 62.000 60.287 1.713 18255
238 1 . 1 1 52 52 THR CB C 52 70.000 70.000 70.317 -0.317 18255
239 1 . 1 1 52 52 THR H H 52 8.450 8.450 8.348 0.102 18255
240 1 . 1 1 53 53 VAL N N 53 122.300 122.300 116.622 5.678 18255
241 1 . 1 1 53 53 VAL HA H 53 4.270 4.270 4.406 -0.136 18255
242 1 . 1 1 53 53 VAL C C 53 176.200 176.200 174.494 1.706 18255
243 1 . 1 1 53 53 VAL CA C 53 61.300 61.300 60.894 0.406 18255
244 1 . 1 1 53 53 VAL CB C 53 33.000 33.000 34.989 -1.989 18255
245 1 . 1 1 53 53 VAL H H 53 8.800 8.800 8.656 0.144 18255
246 1 . 1 1 54 54 GLY N N 54 115.400 115.400 109.833 5.567 18255
247 1 . 1 1 54 54 GLY C C 54 173.100 173.100 173.152 -0.052 18255
248 1 . 1 1 54 54 GLY CA C 54 44.900 44.900 45.059 -0.159 18255
249 1 . 1 1 54 54 GLY H H 54 8.830 8.830 8.304 0.526 18255
250 1 . 1 1 55 55 GLU N N 55 119.000 119.000 121.414 -2.414 18255
251 1 . 1 1 55 55 GLU HA H 55 4.720 4.720 4.822 -0.102 18255
252 1 . 1 1 55 55 GLU CB C 55 29.600 29.600 31.225 -1.625 18255
253 1 . 1 1 55 55 GLU H H 55 8.390 8.390 8.534 -0.144 18255
254 1 . 1 1 56 56 PRO HA H 56 4.420 4.420 4.196 0.224 18255
255 1 . 1 1 56 56 PRO C C 56 176.200 176.200 175.598 0.602 18255
256 1 . 1 1 56 56 PRO CA C 56 62.900 62.900 62.321 0.579 18255
257 1 . 1 1 56 56 PRO CB C 56 31.500 31.500 31.060 0.440 18255
258 1 . 1 1 57 57 ALA N N 57 124.300 124.300 127.066 -2.766 18255
259 1 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.582 0.048 18255
260 1 . 1 1 57 57 ALA CA C 57 51.300 51.300 50.838 0.462 18255
261 1 . 1 1 57 57 ALA CB C 57 22.200 22.200 21.957 0.243 18255
262 1 . 1 1 57 57 ALA H H 57 9.580 9.580 8.587 0.993 18255
263 1 . 1 1 58 58 THR N N 58 108.700 108.700 114.151 -5.451 18255
264 1 . 1 1 58 58 THR C C 58 175.700 175.700 176.321 -0.621 18255
265 1 . 1 1 58 58 THR CA C 58 62.200 62.200 62.234 -0.034 18255
266 1 . 1 1 58 58 THR CB C 58 70.600 70.600 69.867 0.733 18255
267 1 . 1 1 58 58 THR H H 58 8.070 8.070 8.351 -0.281 18255
268 1 . 1 1 59 59 LYS N N 59 123.400 123.400 125.506 -2.106 18255
269 1 . 1 1 59 59 LYS HA H 59 3.170 3.170 3.403 -0.233 18255
270 1 . 1 1 59 59 LYS C C 59 178.100 178.100 178.408 -0.308 18255
271 1 . 1 1 59 59 LYS CA C 59 61.300 61.300 59.775 1.525 18255
272 1 . 1 1 59 59 LYS CB C 59 31.700 31.700 31.833 -0.133 18255
273 1 . 1 1 59 59 LYS H H 59 9.420 9.420 8.719 0.701 18255
274 1 . 1 1 60 60 GLN N N 60 114.800 114.800 117.577 -2.777 18255
275 1 . 1 1 60 60 GLN HA H 60 3.870 3.870 3.920 -0.050 18255
276 1 . 1 1 60 60 GLN C C 60 178.600 178.600 178.550 0.050 18255
277 1 . 1 1 60 60 GLN CA C 60 59.200 59.200 59.062 0.138 18255
278 1 . 1 1 60 60 GLN CB C 60 28.100 28.100 28.287 -0.187 18255
279 1 . 1 1 60 60 GLN H H 60 8.610 8.610 8.133 0.477 18255
280 1 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.094 -0.064 18255
281 1 . 1 1 61 61 GLN C C 61 179.700 179.700 178.470 1.230 18255
282 1 . 1 1 61 61 GLN CA C 61 58.900 58.900 58.376 0.524 18255
283 1 . 1 1 61 61 GLN CB C 61 28.700 28.700 28.420 0.280 18255
284 1 . 1 1 61 61 GLN H H 61 7.690 7.690 7.827 -0.137 18255
285 1 . 1 1 62 62 CYS N N 62 118.800 118.800 119.223 -0.423 18255
286 1 . 1 1 62 62 CYS HA H 62 3.890 3.890 4.125 -0.235 18255
287 1 . 1 1 62 62 CYS C C 62 176.400 176.400 176.943 -0.543 18255
288 1 . 1 1 62 62 CYS CA C 62 64.800 64.800 63.786 1.014 18255
289 1 . 1 1 62 62 CYS CB C 62 27.200 27.200 27.690 -0.490 18255
290 1 . 1 1 62 62 CYS H H 62 8.460 8.460 8.317 0.142 18255
291 1 . 1 1 63 63 LEU N N 63 119.200 119.200 119.388 -0.188 18255
292 1 . 1 1 63 63 LEU HA H 63 3.890 3.890 4.088 -0.198 18255
293 1 . 1 1 63 63 LEU CA C 63 58.100 58.100 58.104 -0.004 18255
294 1 . 1 1 63 63 LEU CB C 63 40.900 40.900 40.554 0.346 18255
295 1 . 1 1 63 63 LEU H H 63 8.350 8.350 8.234 0.116 18255
296 1 . 1 1 64 64 GLN N N 64 119.000 119.000 119.898 -0.898 18255
297 1 . 1 1 64 64 GLN HA H 64 4.030 4.030 4.027 0.003 18255
298 1 . 1 1 64 64 GLN C C 64 178.400 178.400 178.297 0.103 18255
299 1 . 1 1 64 64 GLN CA C 64 58.600 58.600 59.030 -0.430 18255
300 1 . 1 1 64 64 GLN CB C 64 28.300 28.300 28.528 -0.228 18255
301 1 . 1 1 64 64 GLN H H 64 7.910 7.910 8.044 -0.134 18255
302 1 . 1 1 65 65 ARG N N 65 120.000 120.000 119.723 0.277 18255
303 1 . 1 1 65 65 ARG HA H 65 4.000 4.000 4.136 -0.136 18255
304 1 . 1 1 65 65 ARG CA C 65 59.300 59.300 59.341 -0.041 18255
305 1 . 1 1 65 65 ARG CB C 65 29.900 29.900 30.233 -0.333 18255
306 1 . 1 1 65 65 ARG H H 65 7.940 7.940 7.951 -0.011 18255
307 1 . 1 1 66 66 ILE HA H 66 3.370 3.370 3.905 -0.535 18255
308 1 . 1 1 66 66 ILE C C 66 176.700 176.700 177.630 -0.930 18255
309 1 . 1 1 66 66 ILE CA C 66 65.500 65.500 64.308 1.192 18255
310 1 . 1 1 66 66 ILE CB C 66 37.900 37.900 37.776 0.124 18255
311 1 . 1 1 67 67 GLU N N 67 118.400 118.400 120.800 -2.400 18255
312 1 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.109 -0.159 18255
313 1 . 1 1 67 67 GLU C C 67 178.600 178.600 178.856 -0.256 18255
314 1 . 1 1 67 67 GLU CA C 67 59.300 59.300 58.840 0.461 18255
315 1 . 1 1 67 67 GLU CB C 67 29.300 29.300 29.140 0.160 18255
316 1 . 1 1 67 67 GLU H H 67 7.600 7.600 8.237 -0.637 18255
317 1 . 1 1 68 68 GLN N N 68 116.400 116.400 115.966 0.434 18255
318 1 . 1 1 68 68 GLN HA H 68 4.120 4.120 4.234 -0.114 18255
319 1 . 1 1 68 68 GLN C C 68 177.400 177.400 177.091 0.309 18255
320 1 . 1 1 68 68 GLN CA C 68 57.600 57.600 56.694 0.906 18255
321 1 . 1 1 68 68 GLN CB C 68 28.600 28.600 28.594 0.006 18255
322 1 . 1 1 68 68 GLN H H 68 7.620 7.620 7.915 -0.295 18255
323 1 . 1 1 69 69 LEU N N 69 120.000 120.000 118.775 1.225 18255
324 1 . 1 1 69 69 LEU HA H 69 4.090 4.090 4.452 -0.362 18255
325 1 . 1 1 69 69 LEU C C 69 176.600 176.600 177.948 -1.348 18255
326 1 . 1 1 69 69 LEU CA C 69 56.800 56.800 56.420 0.380 18255
327 1 . 1 1 69 69 LEU CB C 69 41.900 41.900 42.633 -0.732 18255
328 1 . 1 1 69 69 LEU H H 69 7.900 7.900 7.561 0.339 18255
329 1 . 1 1 70 70 TRP N N 70 119.200 119.200 119.573 -0.373 18255
330 1 . 1 1 70 70 TRP C C 70 177.100 177.100 178.243 -1.143 18255
331 1 . 1 1 70 70 TRP CA C 70 58.000 58.000 60.107 -2.107 18255
332 1 . 1 1 70 70 TRP CB C 70 29.300 29.300 30.873 -1.573 18255
333 1 . 1 1 70 70 TRP H H 70 8.120 8.120 8.219 -0.099 18255
334 1 . 1 1 71 71 THR N N 71 114.500 114.500 113.875 0.625 18255
335 1 . 1 1 71 71 THR HA H 71 4.160 4.160 4.171 -0.011 18255
336 1 . 1 1 71 71 THR C C 71 174.700 174.700 175.226 -0.526 18255
337 1 . 1 1 71 71 THR CA C 71 63.700 63.700 65.015 -1.315 18255
338 1 . 1 1 71 71 THR CB C 71 69.500 69.500 68.485 1.015 18255
339 1 . 1 1 71 71 THR H H 71 7.960 7.960 7.845 0.115 18255
340 1 . 1 1 72 72 ASP N N 72 120.700 120.700 120.855 -0.155 18255
341 1 . 1 1 72 72 ASP HA H 72 4.560 4.560 4.358 0.202 18255
342 1 . 1 1 72 72 ASP CA C 72 55.000 55.000 56.211 -1.211 18255
343 1 . 1 1 72 72 ASP CB C 72 40.800 40.800 40.449 0.351 18255
344 1 . 1 1 72 72 ASP H H 72 8.140 8.140 8.188 -0.048 18255
345 1 . 1 1 74 74 VAL N N 74 121.700 121.700 125.740 -4.040 18255
346 1 . 1 1 74 74 VAL HA H 74 4.340 4.340 4.408 -0.068 18255
347 1 . 1 1 74 74 VAL CA C 74 60.100 60.100 59.109 0.991 18255
348 1 . 1 1 74 74 VAL CB C 74 32.500 32.500 33.376 -0.876 18255
349 1 . 1 1 74 74 VAL H H 74 7.950 7.950 8.155 -0.205 18255
350 1 . 1 1 75 75 PRO HA H 75 4.380 4.380 4.579 -0.199 18255
351 1 . 1 1 75 75 PRO CA C 75 63.300 63.300 62.482 0.818 18255
352 1 . 1 1 75 75 PRO CB C 75 32.200 32.200 32.379 -0.179 18255
353 1 . 1 1 76 76 ALA N N 76 124.200 124.200 121.303 2.897 18255
354 1 . 1 1 76 76 ALA HA H 76 4.140 4.140 4.059 0.081 18255
355 1 . 1 1 76 76 ALA C C 76 178.400 178.400 179.607 -1.207 18255
356 1 . 1 1 76 76 ALA CA C 76 53.800 53.800 54.682 -0.882 18255
357 1 . 1 1 76 76 ALA CB C 76 18.700 18.700 18.105 0.595 18255
358 1 . 1 1 76 76 ALA H H 76 8.600 8.600 8.464 0.136 18255
359 1 . 1 1 77 77 SER N N 77 112.900 112.900 114.160 -1.260 18255
360 1 . 1 1 77 77 SER HA H 77 4.340 4.340 4.169 0.171 18255
361 1 . 1 1 77 77 SER C C 77 175.200 175.200 176.410 -1.210 18255
362 1 . 1 1 77 77 SER CA C 77 59.200 59.200 60.743 -1.543 18255
363 1 . 1 1 77 77 SER CB C 77 63.200 63.200 62.583 0.618 18255
364 1 . 1 1 77 77 SER H H 77 8.310 8.310 8.174 0.136 18255
365 1 . 1 1 78 78 VAL N N 78 121.700 121.700 122.573 -0.873 18255
366 1 . 1 1 78 78 VAL HA H 78 4.020 4.020 3.717 0.303 18255
367 1 . 1 1 78 78 VAL C C 78 176.600 176.600 176.948 -0.348 18255
368 1 . 1 1 78 78 VAL CA C 78 63.400 63.400 65.479 -2.079 18255
369 1 . 1 1 78 78 VAL CB C 78 32.300 32.300 31.730 0.570 18255
370 1 . 1 1 78 78 VAL H H 78 7.810 7.810 8.031 -0.221 18255
371 1 . 1 1 79 79 ARG N N 79 121.900 121.900 117.949 3.951 18255
372 1 . 1 1 79 79 ARG HA H 79 4.160 4.160 4.132 0.028 18255
373 1 . 1 1 79 79 ARG CA C 79 57.300 57.300 58.760 -1.460 18255
374 1 . 1 1 79 79 ARG CB C 79 30.500 30.500 29.785 0.715 18255
375 1 . 1 1 79 79 ARG H H 79 8.100 8.100 7.900 0.200 18255
376 1 . 1 1 80 80 GLU N N 80 119.600 119.600 118.649 0.951 18255
377 1 . 1 1 80 80 GLU CB C 80 30.000 30.000 29.382 0.618 18255
378 1 . 1 1 80 80 GLU H H 80 8.260 8.260 7.785 0.475 18255
379 1 . 1 1 81 81 HIS HA H 81 4.550 4.550 4.566 -0.016 18255
380 1 . 1 1 81 81 HIS C C 81 175.600 175.600 176.344 -0.744 18255
381 1 . 1 1 81 81 HIS CA C 81 56.200 56.200 57.613 -1.413 18255
382 1 . 1 1 81 81 HIS CB C 81 30.400 30.400 30.733 -0.333 18255
383 1 . 1 1 82 82 LEU N N 82 121.500 121.500 119.968 1.532 18255
384 1 . 1 1 82 82 LEU HA H 82 4.260 4.260 4.358 -0.098 18255
385 1 . 1 1 82 82 LEU C C 82 177.200 177.200 176.563 0.637 18255
386 1 . 1 1 82 82 LEU CA C 82 55.600 55.600 55.136 0.464 18255
387 1 . 1 1 82 82 LEU CB C 82 42.100 42.100 42.020 0.080 18255
388 1 . 1 1 82 82 LEU H H 82 8.120 8.120 7.766 0.354 18255
389 1 . 1 1 83 83 ASN N N 83 118.300 118.300 119.150 -0.850 18255
390 1 . 1 1 83 83 ASN HA H 83 4.640 4.640 4.674 -0.034 18255
391 1 . 1 1 83 83 ASN CA C 83 53.500 53.500 53.446 0.054 18255
392 1 . 1 1 83 83 ASN CB C 83 38.600 38.600 39.080 -0.480 18255
393 1 . 1 1 83 83 ASN H H 83 8.400 8.400 8.030 0.370 18255
394 1 . 1 1 85 85 HIS C C 85 174.900 174.900 174.726 0.174 18255
395 1 . 1 1 85 85 HIS CA C 85 56.300 56.300 55.597 0.703 18255
396 1 . 1 1 85 85 HIS CB C 85 30.600 30.600 30.102 0.499 18255
397 1 . 1 1 86 86 SER N N 86 116.700 116.700 117.459 -0.759 18255
398 1 . 1 1 86 86 SER C C 86 174.100 174.100 174.592 -0.492 18255
399 1 . 1 1 86 86 SER CA C 86 58.400 58.400 58.688 -0.288 18255
400 1 . 1 1 86 86 SER CB C 86 64.300 64.300 62.963 1.338 18255
401 1 . 1 1 86 86 SER H H 86 8.220 8.220 8.386 -0.166 18255
402 1 . 1 1 87 87 GLY N N 87 110.400 110.400 111.492 -1.092 18255
403 1 . 1 1 87 87 GLY CA C 87 44.500 44.500 44.530 -0.030 18255
404 1 . 1 1 87 87 GLY H H 87 8.310 8.310 7.940 0.370 18255
405 1 . 1 1 88 88 PRO HA H 88 4.370 4.370 4.502 -0.132 18255
406 1 . 1 1 88 88 PRO C C 88 177.400 177.400 176.814 0.586 18255
407 1 . 1 1 88 88 PRO CA C 88 63.200 63.200 62.747 0.453 18255
408 1 . 1 1 88 88 PRO CB C 88 32.000 32.000 32.095 -0.095 18255
409 1 . 1 1 89 89 GLY N N 89 109.300 109.300 108.388 0.912 18255
410 1 . 1 1 89 89 GLY C C 89 173.800 173.800 173.998 -0.198 18255
411 1 . 1 1 89 89 GLY CA C 89 45.200 45.200 44.934 0.266 18255
412 1 . 1 1 89 89 GLY H H 89 8.500 8.500 8.230 0.270 18255
413 1 . 1 1 90 90 ILE N N 90 119.600 119.600 121.527 -1.927 18255
414 1 . 1 1 90 90 ILE HA H 90 4.080 4.080 4.163 -0.083 18255
415 1 . 1 1 90 90 ILE C C 90 175.400 175.400 174.768 0.632 18255
416 1 . 1 1 90 90 ILE CA C 90 61.000 61.000 60.881 0.118 18255
417 1 . 1 1 90 90 ILE CB C 90 38.900 38.900 37.193 1.707 18255
418 1 . 1 1 90 90 ILE H H 90 7.910 7.910 7.994 -0.084 18255
419 1 . 1 1 91 91 ASP N N 91 123.400 123.400 124.776 -1.376 18255
420 1 . 1 1 91 91 ASP HA H 91 4.570 4.570 4.613 -0.043 18255
421 1 . 1 1 91 91 ASP C C 91 175.700 175.700 174.804 0.896 18255
422 1 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.504 0.397 18255
423 1 . 1 1 91 91 ASP CB C 91 41.100 41.100 42.500 -1.400 18255
424 1 . 1 1 91 91 ASP H H 91 8.350 8.350 8.110 0.240 18255
425 1 . 1 1 92 92 TYR N N 92 120.800 120.800 119.860 0.940 18255
426 1 . 1 1 92 92 TYR HA H 92 4.460 4.460 4.653 -0.193 18255
427 1 . 1 1 92 92 TYR C C 92 175.200 175.200 174.661 0.539 18255
428 1 . 1 1 92 92 TYR CA C 92 58.000 58.000 57.240 0.760 18255
429 1 . 1 1 92 92 TYR CB C 92 38.600 38.600 39.007 -0.407 18255
430 1 . 1 1 92 92 TYR H H 92 8.050 8.050 8.102 -0.052 18255
431 1 . 1 1 93 93 ALA N N 93 124.700 124.700 124.426 0.274 18255
432 1 . 1 1 93 93 ALA HA H 93 4.300 4.300 4.466 -0.166 18255
433 1 . 1 1 93 93 ALA C C 93 177.100 177.100 176.222 0.878 18255
434 1 . 1 1 93 93 ALA CA C 93 52.400 52.400 51.306 1.094 18255
435 1 . 1 1 93 93 ALA CB C 93 19.300 19.300 20.092 -0.792 18255
436 1 . 1 1 93 93 ALA H H 93 8.170 8.170 8.300 -0.130 18255
437 1 . 1 1 94 94 VAL N N 94 119.400 119.400 120.415 -1.015 18255
438 1 . 1 1 94 94 VAL HA H 94 4.050 4.050 4.080 -0.030 18255
439 1 . 1 1 94 94 VAL C C 94 175.100 175.100 175.566 -0.466 18255
440 1 . 1 1 94 94 VAL CA C 94 62.400 62.400 62.023 0.377 18255
441 1 . 1 1 94 94 VAL CB C 94 32.300 32.300 31.940 0.360 18255
442 1 . 1 1 94 94 VAL H H 94 8.000 8.000 8.433 -0.433 18255
stop_
save_