data_18046
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18046
_Entry.PDB_ID 2LLF
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 18046
_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 ARG N N 2 117.203 117.203 118.330 -1.127 18046
2 1 1 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.983 0.067 18046
3 1 1 . 1 1 2 2 ARG C C 2 172.726 172.726 174.612 -1.886 18046
4 1 1 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.720 0.480 18046
5 1 1 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.356 -2.456 18046
6 1 1 . 1 1 2 2 ARG H H 2 8.108 8.108 7.918 0.190 18046
7 1 1 . 1 1 3 3 LEU N N 3 125.261 125.261 118.336 6.925 18046
8 1 1 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.111 0.109 18046
9 1 1 . 1 1 3 3 LEU C C 3 174.166 174.166 175.302 -1.136 18046
10 1 1 . 1 1 3 3 LEU CA C 3 53.000 53.000 52.947 0.053 18046
11 1 1 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.940 -0.540 18046
12 1 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.168 0.374 18046
13 1 1 . 1 1 4 4 PHE N N 4 123.490 123.490 116.595 6.895 18046
14 1 1 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.791 0.309 18046
15 1 1 . 1 1 4 4 PHE C C 4 174.820 174.820 174.483 0.337 18046
16 1 1 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.302 -1.012 18046
17 1 1 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.042 0.308 18046
18 1 1 . 1 1 4 4 PHE H H 4 9.591 9.591 8.702 0.889 18046
19 1 1 . 1 1 5 5 GLU N N 5 125.718 125.718 125.284 0.434 18046
20 1 1 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.750 -0.730 18046
21 1 1 . 1 1 5 5 GLU C C 5 174.892 174.892 175.414 -0.522 18046
22 1 1 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.680 -0.580 18046
23 1 1 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.311 2.539 18046
24 1 1 . 1 1 5 5 GLU H H 5 9.484 9.484 8.548 0.936 18046
25 1 1 . 1 1 6 6 CYS N N 6 127.915 127.915 124.979 2.936 18046
26 1 1 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.177 -0.157 18046
27 1 1 . 1 1 6 6 CYS C C 6 172.378 172.378 173.920 -1.542 18046
28 1 1 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.911 1.089 18046
29 1 1 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.439 0.861 18046
30 1 1 . 1 1 6 6 CYS H H 6 8.937 8.937 8.231 0.706 18046
31 1 1 . 1 1 7 7 SER N N 7 113.574 113.574 118.279 -4.705 18046
32 1 1 . 1 1 7 7 SER HA H 7 5.420 5.420 4.876 0.544 18046
33 1 1 . 1 1 7 7 SER C C 7 175.632 175.632 172.865 2.767 18046
34 1 1 . 1 1 7 7 SER CA C 7 55.400 55.400 56.193 -0.793 18046
35 1 1 . 1 1 7 7 SER CB C 7 65.900 65.900 65.609 0.291 18046
36 1 1 . 1 1 7 7 SER H H 7 7.873 7.873 8.169 -0.296 18046
37 1 1 . 1 1 8 8 ASN N N 8 126.153 126.153 122.017 4.136 18046
38 1 1 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.091 0.549 18046
39 1 1 . 1 1 8 8 ASN C C 8 178.392 178.392 175.807 2.585 18046
40 1 1 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.515 -1.015 18046
41 1 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.209 -1.109 18046
42 1 1 . 1 1 8 8 ASN H H 8 10.299 10.299 8.826 1.473 18046
43 1 1 . 1 1 9 9 LYS N N 9 123.420 123.420 123.127 0.293 18046
44 1 1 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.185 0.045 18046
45 1 1 . 1 1 9 9 LYS C C 9 177.891 177.891 177.120 0.771 18046
46 1 1 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.012 0.788 18046
47 1 1 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.722 -0.822 18046
48 1 1 . 1 1 9 9 LYS H H 9 9.064 9.064 8.496 0.568 18046
49 1 1 . 1 1 10 10 THR N N 10 110.292 110.292 108.300 1.992 18046
50 1 1 . 1 1 10 10 THR HA H 10 4.480 4.480 4.494 -0.014 18046
51 1 1 . 1 1 10 10 THR C C 10 175.392 175.392 175.818 -0.426 18046
52 1 1 . 1 1 10 10 THR CA C 10 63.100 63.100 62.368 0.732 18046
53 1 1 . 1 1 10 10 THR CB C 10 70.100 70.100 70.001 0.099 18046
54 1 1 . 1 1 10 10 THR H H 10 8.525 8.525 7.892 0.633 18046
55 1 1 . 1 1 11 11 GLY N N 11 110.668 110.668 110.191 0.477 18046
56 1 1 . 1 1 11 11 GLY C C 11 172.867 172.867 173.654 -0.787 18046
57 1 1 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046
58 1 1 . 1 1 11 11 GLY H H 11 8.266 8.266 8.109 0.157 18046
59 1 1 . 1 1 12 12 ARG N N 12 118.170 118.170 120.301 -2.131 18046
60 1 1 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.705 -0.045 18046
61 1 1 . 1 1 12 12 ARG C C 12 173.924 173.924 174.596 -0.672 18046
62 1 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.733 -0.833 18046
63 1 1 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.912 -0.112 18046
64 1 1 . 1 1 12 12 ARG H H 12 7.538 7.538 7.835 -0.297 18046
65 1 1 . 1 1 13 13 PHE N N 13 121.956 121.956 123.141 -1.185 18046
66 1 1 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.608 -0.074 18046
67 1 1 . 1 1 13 13 PHE C C 13 174.005 174.005 174.298 -0.293 18046
68 1 1 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.540 1.960 18046
69 1 1 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.923 -0.923 18046
70 1 1 . 1 1 13 13 PHE H H 13 8.926 8.926 8.625 0.301 18046
71 1 1 . 1 1 14 14 LEU N N 14 129.824 129.824 127.125 2.699 18046
72 1 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.231 0.079 18046
73 1 1 . 1 1 14 14 LEU C C 14 173.801 173.801 174.133 -0.332 18046
74 1 1 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.905 1.295 18046
75 1 1 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.063 1.537 18046
76 1 1 . 1 1 14 14 LEU H H 14 8.114 8.114 7.312 0.802 18046
77 1 1 . 1 1 15 15 ALA N N 15 125.201 125.201 125.400 -0.199 18046
78 1 1 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.388 1.142 18046
79 1 1 . 1 1 15 15 ALA C C 15 177.178 177.178 176.556 0.622 18046
80 1 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.339 -1.539 18046
81 1 1 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.252 0.548 18046
82 1 1 . 1 1 15 15 ALA H H 15 8.234 8.234 8.182 0.052 18046
83 1 1 . 1 1 16 16 THR N N 16 119.393 119.393 119.187 0.206 18046
84 1 1 . 1 1 16 16 THR HA H 16 4.654 4.654 4.552 0.102 18046
85 1 1 . 1 1 16 16 THR C C 16 173.434 173.434 172.245 1.189 18046
86 1 1 . 1 1 16 16 THR CA C 16 61.261 61.261 60.826 0.435 18046
87 1 1 . 1 1 16 16 THR CB C 16 71.500 71.500 71.641 -0.141 18046
88 1 1 . 1 1 16 16 THR H H 16 9.149 9.149 7.998 1.151 18046
89 1 1 . 1 1 17 17 GLU N N 17 128.928 128.928 122.814 6.114 18046
90 1 1 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.430 -0.040 18046
91 1 1 . 1 1 17 17 GLU C C 17 175.799 175.799 175.104 0.695 18046
92 1 1 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.820 1.980 18046
93 1 1 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.823 -2.423 18046
94 1 1 . 1 1 17 17 GLU H H 17 9.269 9.269 8.508 0.761 18046
95 1 1 . 1 1 18 18 ILE N N 18 129.185 129.185 125.869 3.316 18046
96 1 1 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.135 0.255 18046
97 1 1 . 1 1 18 18 ILE C C 18 176.202 176.202 174.788 1.414 18046
98 1 1 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.677 1.023 18046
99 1 1 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.972 -1.872 18046
100 1 1 . 1 1 18 18 ILE H H 18 8.814 8.814 8.318 0.496 18046
101 1 1 . 1 1 19 19 VAL N N 19 127.068 127.068 125.900 1.168 18046
102 1 1 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.628 0.652 18046
103 1 1 . 1 1 19 19 VAL C C 19 175.632 175.632 175.620 0.012 18046
104 1 1 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.180 -0.580 18046
105 1 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.311 0.189 18046
106 1 1 . 1 1 19 19 VAL H H 19 8.600 8.600 8.113 0.487 18046
107 1 1 . 1 1 20 20 ASP N N 20 122.793 122.793 123.788 -0.995 18046
108 1 1 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.192 0.098 18046
109 1 1 . 1 1 20 20 ASP C C 20 175.742 175.742 175.229 0.513 18046
110 1 1 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.558 -0.458 18046
111 1 1 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.913 -0.913 18046
112 1 1 . 1 1 20 20 ASP H H 20 9.037 9.037 8.353 0.684 18046
113 1 1 . 1 1 21 21 PHE N N 21 113.443 113.443 123.575 -10.132 18046
114 1 1 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.754 0.056 18046
115 1 1 . 1 1 21 21 PHE C C 21 175.062 175.062 175.655 -0.593 18046
116 1 1 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.425 0.775 18046
117 1 1 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.458 -0.557 18046
118 1 1 . 1 1 21 21 PHE H H 21 6.542 6.542 7.750 -1.208 18046
119 1 1 . 1 1 22 22 THR N N 22 112.200 112.200 112.509 -0.309 18046
120 1 1 . 1 1 22 22 THR HA H 22 4.900 4.900 4.511 0.389 18046
121 1 1 . 1 1 22 22 THR C C 22 175.307 175.307 175.322 -0.015 18046
122 1 1 . 1 1 22 22 THR CA C 22 60.400 60.400 60.519 -0.119 18046
123 1 1 . 1 1 22 22 THR CB C 22 73.300 73.300 70.959 2.341 18046
124 1 1 . 1 1 22 22 THR H H 22 9.640 9.640 8.231 1.409 18046
125 1 1 . 1 1 23 23 GLN N N 23 122.406 122.406 117.418 4.988 18046
126 1 1 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.078 -0.398 18046
127 1 1 . 1 1 23 23 GLN C C 23 176.527 176.527 176.690 -0.163 18046
128 1 1 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.966 1.034 18046
129 1 1 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.321 -0.721 18046
130 1 1 . 1 1 23 23 GLN H H 23 9.766 9.766 8.625 1.141 18046
131 1 1 . 1 1 24 24 ASP N N 24 114.153 114.153 119.108 -4.955 18046
132 1 1 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.485 -0.385 18046
133 1 1 . 1 1 24 24 ASP C C 24 176.528 176.528 177.266 -0.738 18046
134 1 1 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.190 -0.290 18046
135 1 1 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.717 0.043 18046
136 1 1 . 1 1 24 24 ASP H H 24 7.760 7.760 7.743 0.017 18046
137 1 1 . 1 1 25 25 ASP N N 25 116.379 116.379 117.303 -0.924 18046
138 1 1 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.737 -0.197 18046
139 1 1 . 1 1 25 25 ASP C C 25 175.059 175.059 176.305 -1.246 18046
140 1 1 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.686 1.514 18046
141 1 1 . 1 1 25 25 ASP CB C 25 42.500 42.500 42.066 0.434 18046
142 1 1 . 1 1 25 25 ASP H H 25 7.655 7.655 7.990 -0.335 18046
143 1 1 . 1 1 26 26 LEU N N 26 118.095 118.095 122.290 -4.195 18046
144 1 1 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.191 -0.911 18046
145 1 1 . 1 1 26 26 LEU C C 26 174.177 174.177 176.127 -1.950 18046
146 1 1 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.407 -1.507 18046
147 1 1 . 1 1 26 26 LEU CB C 26 39.300 39.300 41.891 -2.591 18046
148 1 1 . 1 1 26 26 LEU H H 26 7.309 7.309 7.278 0.031 18046
149 1 1 . 1 1 27 27 ASP N N 27 127.757 127.757 125.528 2.229 18046
150 1 1 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.546 0.254 18046
151 1 1 . 1 1 27 27 ASP C C 27 177.178 177.178 177.533 -0.355 18046
152 1 1 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.407 -0.907 18046
153 1 1 . 1 1 27 27 ASP CB C 27 43.500 43.500 42.161 1.339 18046
154 1 1 . 1 1 27 27 ASP H H 27 8.612 8.612 8.304 0.308 18046
155 1 1 . 1 1 28 28 GLU N N 28 124.674 124.674 120.062 4.612 18046
156 1 1 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.167 0.223 18046
157 1 1 . 1 1 28 28 GLU C C 28 175.019 175.019 176.348 -1.329 18046
158 1 1 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.137 -1.437 18046
159 1 1 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.190 -0.590 18046
160 1 1 . 1 1 28 28 GLU H H 28 8.632 8.632 8.769 -0.137 18046
161 1 1 . 1 1 29 29 ASN N N 29 115.882 115.882 118.364 -2.482 18046
162 1 1 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.007 -0.377 18046
163 1 1 . 1 1 29 29 ASN C C 29 175.382 175.382 173.661 1.721 18046
164 1 1 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.543 0.257 18046
165 1 1 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.956 0.044 18046
166 1 1 . 1 1 29 29 ASN H H 29 9.360 9.360 8.314 1.046 18046
167 1 1 . 1 1 30 30 ASP N N 30 127.013 127.013 121.751 5.262 18046
168 1 1 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.830 0.720 18046
169 1 1 . 1 1 30 30 ASP C C 30 172.009 172.009 174.516 -2.507 18046
170 1 1 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.815 1.385 18046
171 1 1 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.842 -0.042 18046
172 1 1 . 1 1 30 30 ASP H H 30 8.710 8.710 8.540 0.170 18046
173 1 1 . 1 1 31 31 VAL N N 31 112.784 112.784 120.714 -7.930 18046
174 1 1 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.296 1.104 18046
175 1 1 . 1 1 31 31 VAL C C 31 173.273 173.273 175.186 -1.913 18046
176 1 1 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.908 -1.908 18046
177 1 1 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.344 3.456 18046
178 1 1 . 1 1 31 31 VAL H H 31 7.364 7.364 8.419 -1.055 18046
179 1 1 . 1 1 32 32 TYR N N 32 120.917 120.917 126.338 -5.421 18046
180 1 1 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.416 0.254 18046
181 1 1 . 1 1 32 32 TYR C C 32 174.735 174.735 175.516 -0.781 18046
182 1 1 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.447 1.353 18046
183 1 1 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.471 1.629 18046
184 1 1 . 1 1 32 32 TYR H H 32 9.698 9.698 8.011 1.687 18046
185 1 1 . 1 1 33 33 LEU N N 33 119.790 119.790 119.591 0.199 18046
186 1 1 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.645 1.065 18046
187 1 1 . 1 1 33 33 LEU C C 33 175.551 175.551 175.197 0.354 18046
188 1 1 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.486 -2.006 18046
189 1 1 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.030 0.255 18046
190 1 1 . 1 1 33 33 LEU H H 33 9.111 9.111 8.698 0.413 18046
191 1 1 . 1 1 34 34 LEU N N 34 125.829 125.829 126.479 -0.650 18046
192 1 1 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.167 0.243 18046
193 1 1 . 1 1 34 34 LEU C C 34 174.819 174.819 174.750 0.069 18046
194 1 1 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.389 -0.069 18046
195 1 1 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.193 -0.613 18046
196 1 1 . 1 1 34 34 LEU H H 34 9.847 9.847 8.122 1.725 18046
197 1 1 . 1 1 35 35 ASP N N 35 126.739 126.739 128.431 -1.692 18046
198 1 1 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.993 0.147 18046
199 1 1 . 1 1 35 35 ASP C C 35 176.690 176.690 175.578 1.112 18046
200 1 1 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.915 -0.315 18046
201 1 1 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.280 0.920 18046
202 1 1 . 1 1 35 35 ASP H H 35 9.740 9.740 8.640 1.100 18046
203 1 1 . 1 1 36 36 THR N N 36 118.603 118.603 113.736 4.867 18046
204 1 1 . 1 1 36 36 THR HA H 36 4.290 4.290 4.338 -0.048 18046
205 1 1 . 1 1 36 36 THR C C 36 175.471 175.471 174.605 0.866 18046
206 1 1 . 1 1 36 36 THR CA C 36 60.800 60.800 59.581 1.219 18046
207 1 1 . 1 1 36 36 THR CB C 36 68.500 68.500 70.594 -2.094 18046
208 1 1 . 1 1 36 36 THR H H 36 8.596 8.596 7.748 0.848 18046
209 1 1 . 1 1 37 37 TRP N N 37 122.021 122.021 122.253 -0.232 18046
210 1 1 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.493 -0.443 18046
211 1 1 . 1 1 37 37 TRP C C 37 177.341 177.341 176.293 1.048 18046
212 1 1 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.503 2.297 18046
213 1 1 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.634 -0.634 18046
214 1 1 . 1 1 37 37 TRP H H 37 9.090 9.090 8.371 0.719 18046
215 1 1 . 1 1 38 38 ASP N N 38 117.786 117.786 117.877 -0.091 18046
216 1 1 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.735 -0.345 18046
217 1 1 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.230 -0.230 18046
218 1 1 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.179 -0.879 18046
219 1 1 . 1 1 38 38 ASP H H 38 8.676 8.676 7.769 0.907 18046
220 1 1 . 1 1 39 39 GLN N N 39 110.693 110.693 114.571 -3.878 18046
221 1 1 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.455 0.035 18046
222 1 1 . 1 1 39 39 GLN C C 39 173.398 173.398 174.370 -0.972 18046
223 1 1 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.319 -0.519 18046
224 1 1 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.468 0.732 18046
225 1 1 . 1 1 39 39 GLN H H 39 7.325 7.325 7.938 -0.613 18046
226 1 1 . 1 1 40 40 ILE N N 40 120.287 120.287 122.419 -2.132 18046
227 1 1 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.630 0.350 18046
228 1 1 . 1 1 40 40 ILE C C 40 175.143 175.143 175.576 -0.433 18046
229 1 1 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.658 -1.558 18046
230 1 1 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.697 1.002 18046
231 1 1 . 1 1 40 40 ILE H H 40 8.663 8.663 8.629 0.034 18046
232 1 1 . 1 1 41 41 PHE N N 41 124.653 124.653 126.859 -2.206 18046
233 1 1 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.899 0.591 18046
234 1 1 . 1 1 41 41 PHE C C 41 174.167 174.167 175.163 -0.996 18046
235 1 1 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.027 0.373 18046
236 1 1 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.167 2.033 18046
237 1 1 . 1 1 41 41 PHE H H 41 9.555 9.555 9.338 0.217 18046
238 1 1 . 1 1 42 42 PHE N N 42 128.681 128.681 125.286 3.395 18046
239 1 1 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.905 0.675 18046
240 1 1 . 1 1 42 42 PHE C C 42 172.940 172.940 174.897 -1.957 18046
241 1 1 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.824 -1.124 18046
242 1 1 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.860 2.140 18046
243 1 1 . 1 1 42 42 PHE H H 42 9.647 9.647 8.414 1.233 18046
244 1 1 . 1 1 43 43 TRP N N 43 128.634 128.634 126.052 2.582 18046
245 1 1 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.805 0.475 18046
246 1 1 . 1 1 43 43 TRP C C 43 175.877 175.877 174.678 1.199 18046
247 1 1 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.631 1.369 18046
248 1 1 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.835 2.365 18046
249 1 1 . 1 1 43 43 TRP H H 43 9.997 9.997 8.794 1.203 18046
250 1 1 . 1 1 44 44 ILE N N 44 126.166 126.166 126.441 -0.275 18046
251 1 1 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.520 -0.370 18046
252 1 1 . 1 1 44 44 ILE C C 44 175.190 175.190 175.575 -0.385 18046
253 1 1 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.309 0.191 18046
254 1 1 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.315 -0.015 18046
255 1 1 . 1 1 44 44 ILE H H 44 8.359 8.359 7.806 0.553 18046
256 1 1 . 1 1 45 45 GLY N N 45 119.260 119.260 114.573 4.687 18046
257 1 1 . 1 1 45 45 GLY C C 45 176.163 176.163 174.554 1.609 18046
258 1 1 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.978 1.622 18046
259 1 1 . 1 1 45 45 GLY H H 45 7.603 7.603 8.196 -0.593 18046
260 1 1 . 1 1 46 46 LYS N N 46 124.868 124.868 119.475 5.393 18046
261 1 1 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046
262 1 1 . 1 1 46 46 LYS C C 46 177.700 177.700 177.412 0.288 18046
263 1 1 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.397 1.803 18046
264 1 1 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.268 -0.868 18046
265 1 1 . 1 1 46 46 LYS H H 46 9.104 9.104 8.335 0.769 18046
266 1 1 . 1 1 47 47 GLY N N 47 106.230 106.230 107.711 -1.481 18046
267 1 1 . 1 1 47 47 GLY C C 47 175.326 175.326 174.001 1.325 18046
268 1 1 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.274 -1.074 18046
269 1 1 . 1 1 47 47 GLY H H 47 8.954 8.954 8.080 0.874 18046
270 1 1 . 1 1 48 48 ALA N N 48 125.925 125.925 122.867 3.058 18046
271 1 1 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.166 0.454 18046
272 1 1 . 1 1 48 48 ALA C C 48 177.829 177.829 177.506 0.323 18046
273 1 1 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.332 0.368 18046
274 1 1 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.682 1.218 18046
275 1 1 . 1 1 48 48 ALA H H 48 7.484 7.484 7.909 -0.425 18046
276 1 1 . 1 1 49 49 ASN N N 49 119.683 119.683 123.293 -3.610 18046
277 1 1 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.595 0.505 18046
278 1 1 . 1 1 49 49 ASN C C 49 175.874 175.874 176.963 -1.089 18046
279 1 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.834 -2.234 18046
280 1 1 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.518 1.482 18046
281 1 1 . 1 1 49 49 ASN H H 49 8.921 8.921 8.344 0.577 18046
282 1 1 . 1 1 50 50 GLU N N 50 118.057 118.057 120.903 -2.846 18046
283 1 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.115 -0.115 18046
284 1 1 . 1 1 50 50 GLU C C 50 178.722 178.722 178.219 0.503 18046
285 1 1 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.427 0.173 18046
286 1 1 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.712 -0.112 18046
287 1 1 . 1 1 50 50 GLU H H 50 8.828 8.828 9.021 -0.193 18046
288 1 1 . 1 1 51 51 SER N N 51 115.397 115.397 114.768 0.629 18046
289 1 1 . 1 1 51 51 SER HA H 51 4.350 4.350 4.214 0.136 18046
290 1 1 . 1 1 51 51 SER C C 51 177.932 177.932 176.337 1.595 18046
291 1 1 . 1 1 51 51 SER CA C 51 61.800 61.800 61.341 0.459 18046
292 1 1 . 1 1 51 51 SER CB C 51 62.700 62.700 62.800 -0.099 18046
293 1 1 . 1 1 51 51 SER H H 51 8.401 8.401 8.385 0.016 18046
294 1 1 . 1 1 52 52 GLU N N 52 122.271 122.271 122.157 0.114 18046
295 1 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.097 0.003 18046
296 1 1 . 1 1 52 52 GLU C C 52 177.665 177.665 178.478 -0.813 18046
297 1 1 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.847 -0.647 18046
298 1 1 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.917 -0.517 18046
299 1 1 . 1 1 52 52 GLU H H 52 8.566 8.566 8.377 0.189 18046
300 1 1 . 1 1 53 53 LYS N N 53 119.319 119.319 118.339 0.980 18046
301 1 1 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.965 0.075 18046
302 1 1 . 1 1 53 53 LYS C C 53 178.727 178.727 178.401 0.326 18046
303 1 1 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.166 1.734 18046
304 1 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.167 0.433 18046
305 1 1 . 1 1 53 53 LYS H H 53 7.704 7.704 7.558 0.146 18046
306 1 1 . 1 1 54 54 GLU N N 54 119.268 119.268 118.848 0.420 18046
307 1 1 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.121 -0.061 18046
308 1 1 . 1 1 54 54 GLU C C 54 179.211 179.211 178.307 0.904 18046
309 1 1 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.018 0.482 18046
310 1 1 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.716 0.184 18046
311 1 1 . 1 1 54 54 GLU H H 54 8.173 8.173 7.309 0.864 18046
312 1 1 . 1 1 55 55 ALA N N 55 121.311 121.311 121.933 -0.622 18046
313 1 1 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.814 0.136 18046
314 1 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.345 1.575 18046
315 1 1 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.673 -0.173 18046
316 1 1 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.126 -1.326 18046
317 1 1 . 1 1 55 55 ALA H H 55 7.954 7.954 8.335 -0.381 18046
318 1 1 . 1 1 56 56 ALA N N 56 123.395 123.395 119.373 4.022 18046
319 1 1 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.135 -0.115 18046
320 1 1 . 1 1 56 56 ALA C C 56 178.383 178.383 178.927 -0.544 18046
321 1 1 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.574 0.826 18046
322 1 1 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.302 1.298 18046
323 1 1 . 1 1 56 56 ALA H H 56 8.393 8.393 8.094 0.299 18046
324 1 1 . 1 1 57 57 ALA N N 57 120.754 120.754 121.001 -0.247 18046
325 1 1 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.834 0.086 18046
326 1 1 . 1 1 57 57 ALA C C 57 180.433 180.433 179.528 0.905 18046
327 1 1 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.682 1.018 18046
328 1 1 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.488 -0.788 18046
329 1 1 . 1 1 57 57 ALA H H 57 7.690 7.690 7.341 0.349 18046
330 1 1 . 1 1 58 58 GLU N N 58 118.337 118.337 118.353 -0.016 18046
331 1 1 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.105 -0.005 18046
332 1 1 . 1 1 58 58 GLU C C 58 179.210 179.210 178.996 0.214 18046
333 1 1 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.234 -0.034 18046
334 1 1 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.703 -0.403 18046
335 1 1 . 1 1 58 58 GLU H H 58 7.423 7.423 7.849 -0.426 18046
336 1 1 . 1 1 59 59 THR N N 59 118.744 118.744 115.549 3.195 18046
337 1 1 . 1 1 59 59 THR HA H 59 3.860 3.860 4.012 -0.152 18046
338 1 1 . 1 1 59 59 THR C C 59 175.722 175.722 175.934 -0.212 18046
339 1 1 . 1 1 59 59 THR CA C 59 67.420 67.420 65.932 1.488 18046
340 1 1 . 1 1 59 59 THR CB C 59 68.590 68.590 68.342 0.248 18046
341 1 1 . 1 1 59 59 THR H H 59 8.354 8.354 8.383 -0.029 18046
342 1 1 . 1 1 60 60 ALA N N 60 122.991 122.991 122.962 0.029 18046
343 1 1 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.777 -0.047 18046
344 1 1 . 1 1 60 60 ALA C C 60 178.155 178.155 179.161 -1.006 18046
345 1 1 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.034 0.666 18046
346 1 1 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.092 -0.292 18046
347 1 1 . 1 1 60 60 ALA H H 60 8.294 8.294 7.416 0.878 18046
348 1 1 . 1 1 61 61 GLN N N 61 113.649 113.649 116.926 -3.277 18046
349 1 1 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.915 0.075 18046
350 1 1 . 1 1 61 61 GLN C C 61 178.640 178.640 178.246 0.394 18046
351 1 1 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.706 -0.787 18046
352 1 1 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.160 0.300 18046
353 1 1 . 1 1 61 61 GLN H H 61 7.215 7.215 8.223 -1.008 18046
354 1 1 . 1 1 62 62 GLU N N 62 120.684 120.684 118.699 1.985 18046
355 1 1 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.005 0.035 18046
356 1 1 . 1 1 62 62 GLU C C 62 179.047 179.047 178.951 0.096 18046
357 1 1 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.126 0.075 18046
358 1 1 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.284 0.016 18046
359 1 1 . 1 1 62 62 GLU H H 62 8.126 8.126 7.796 0.330 18046
360 1 1 . 1 1 63 63 TYR N N 63 122.118 122.118 120.513 1.605 18046
361 1 1 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.156 0.074 18046
362 1 1 . 1 1 63 63 TYR C C 63 178.643 178.643 177.266 1.377 18046
363 1 1 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.859 -0.760 18046
364 1 1 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.617 -0.817 18046
365 1 1 . 1 1 63 63 TYR H H 63 8.796 8.796 7.713 1.083 18046
366 1 1 . 1 1 64 64 LEU N N 64 119.163 119.163 118.357 0.806 18046
367 1 1 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.895 -0.215 18046
368 1 1 . 1 1 64 64 LEU C C 64 178.475 178.475 179.498 -1.023 18046
369 1 1 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.089 -0.089 18046
370 1 1 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.688 1.812 18046
371 1 1 . 1 1 64 64 LEU H H 64 7.799 7.799 7.679 0.120 18046
372 1 1 . 1 1 65 65 ARG N N 65 116.868 116.868 115.913 0.955 18046
373 1 1 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.073 -0.003 18046
374 1 1 . 1 1 65 65 ARG C C 65 177.464 177.464 177.115 0.349 18046
375 1 1 . 1 1 65 65 ARG CA C 65 58.600 58.600 57.952 0.648 18046
376 1 1 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.037 0.763 18046
377 1 1 . 1 1 65 65 ARG H H 65 7.842 7.842 7.629 0.213 18046
378 1 1 . 1 1 66 66 SER N N 66 112.527 112.527 112.346 0.181 18046
379 1 1 . 1 1 66 66 SER HA H 66 4.360 4.360 4.231 0.129 18046
380 1 1 . 1 1 66 66 SER C C 66 174.087 174.087 174.842 -0.755 18046
381 1 1 . 1 1 66 66 SER CA C 66 59.440 59.440 59.639 -0.199 18046
382 1 1 . 1 1 66 66 SER CB C 66 64.120 64.120 63.475 0.645 18046
383 1 1 . 1 1 66 66 SER H H 66 7.907 7.907 7.593 0.314 18046
384 1 1 . 1 1 67 67 HIS N N 67 123.090 123.090 121.674 1.416 18046
385 1 1 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.762 -0.102 18046
386 1 1 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.647 2.753 18046
387 1 1 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.658 -1.058 18046
388 1 1 . 1 1 67 67 HIS H H 67 7.515 7.515 7.338 0.177 18046
389 1 1 . 1 1 68 68 PRO C C 68 176.365 176.365 176.993 -0.628 18046
390 1 1 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.343 6.017 18046
391 1 1 . 1 1 69 69 GLY N N 69 124.202 124.202 105.836 18.366 18046
392 1 1 . 1 1 69 69 GLY C C 69 174.331 174.331 173.441 0.890 18046
393 1 1 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.620 1.080 18046
394 1 1 . 1 1 69 69 GLY H H 69 8.166 8.166 8.264 -0.098 18046
395 1 1 . 1 1 70 70 SER N N 70 115.467 115.467 116.276 -0.809 18046
396 1 1 . 1 1 70 70 SER HA H 70 4.450 4.450 4.577 -0.127 18046
397 1 1 . 1 1 70 70 SER C C 70 174.329 174.329 175.613 -1.284 18046
398 1 1 . 1 1 70 70 SER CA C 70 58.640 58.640 59.000 -0.360 18046
399 1 1 . 1 1 70 70 SER CB C 70 63.040 63.040 64.325 -1.285 18046
400 1 1 . 1 1 70 70 SER H H 70 8.280 8.280 8.823 -0.543 18046
401 1 1 . 1 1 71 71 ARG N N 71 120.585 120.585 121.024 -0.439 18046
402 1 1 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.544 -0.314 18046
403 1 1 . 1 1 71 71 ARG C C 71 175.793 175.793 175.505 0.288 18046
404 1 1 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.489 -0.389 18046
405 1 1 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.506 0.894 18046
406 1 1 . 1 1 71 71 ARG H H 71 8.341 8.341 8.323 0.018 18046
407 1 1 . 1 1 72 72 ASP N N 72 120.258 120.258 118.407 1.851 18046
408 1 1 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.385 0.055 18046
409 1 1 . 1 1 72 72 ASP C C 72 178.038 178.038 176.865 1.173 18046
410 1 1 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.832 -2.302 18046
411 1 1 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.316 0.454 18046
412 1 1 . 1 1 72 72 ASP H H 72 8.471 8.471 8.381 0.090 18046
413 1 1 . 1 1 73 73 LEU N N 73 127.518 127.518 115.965 11.553 18046
414 1 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.252 -0.162 18046
415 1 1 . 1 1 73 73 LEU C C 73 177.417 177.417 177.376 0.041 18046
416 1 1 . 1 1 73 73 LEU CA C 73 57.000 57.000 55.998 1.002 18046
417 1 1 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.613 -1.613 18046
418 1 1 . 1 1 73 73 LEU H H 73 8.826 8.826 7.785 1.041 18046
419 1 1 . 1 1 74 74 ASP N N 74 117.787 117.787 116.667 1.120 18046
420 1 1 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.494 0.246 18046
421 1 1 . 1 1 74 74 ASP C C 74 175.765 175.765 176.716 -0.951 18046
422 1 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.871 -1.971 18046
423 1 1 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.906 -0.436 18046
424 1 1 . 1 1 74 74 ASP H H 74 8.480 8.480 8.110 0.370 18046
425 1 1 . 1 1 75 75 THR N N 75 119.682 119.682 117.443 2.239 18046
426 1 1 . 1 1 75 75 THR HA H 75 4.210 4.210 4.362 -0.152 18046
427 1 1 . 1 1 75 75 THR CA C 75 62.440 62.440 61.752 0.688 18046
428 1 1 . 1 1 75 75 THR CB C 75 70.940 70.940 69.142 1.798 18046
429 1 1 . 1 1 75 75 THR H H 75 7.303 7.303 7.578 -0.275 18046
430 1 1 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.395 -0.155 18046
431 1 1 . 1 1 76 76 PRO C C 76 174.823 174.823 175.735 -0.912 18046
432 1 1 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.517 1.083 18046
433 1 1 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.233 0.867 18046
434 1 1 . 1 1 77 77 ILE N N 77 121.906 121.906 120.586 1.320 18046
435 1 1 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.895 1.095 18046
436 1 1 . 1 1 77 77 ILE C C 77 176.571 176.571 176.541 0.030 18046
437 1 1 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.481 -0.981 18046
438 1 1 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.275 -1.175 18046
439 1 1 . 1 1 77 77 ILE H H 77 8.052 8.052 7.907 0.145 18046
440 1 1 . 1 1 78 78 ILE N N 78 130.054 130.054 127.982 2.072 18046
441 1 1 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.018 0.282 18046
442 1 1 . 1 1 78 78 ILE C C 78 175.471 175.471 175.299 0.172 18046
443 1 1 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.805 -1.005 18046
444 1 1 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.979 2.321 18046
445 1 1 . 1 1 78 78 ILE H H 78 8.977 8.977 8.317 0.660 18046
446 1 1 . 1 1 79 79 VAL N N 79 130.072 130.072 127.661 2.411 18046
447 1 1 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.955 0.735 18046
448 1 1 . 1 1 79 79 VAL C C 79 176.024 176.024 175.871 0.153 18046
449 1 1 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.512 0.388 18046
450 1 1 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.887 -0.187 18046
451 1 1 . 1 1 79 79 VAL H H 79 8.872 8.872 8.002 0.870 18046
452 1 1 . 1 1 80 80 VAL N N 80 129.055 129.055 126.283 2.772 18046
453 1 1 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.310 0.110 18046
454 1 1 . 1 1 80 80 VAL C C 80 173.028 173.028 174.574 -1.546 18046
455 1 1 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.606 -0.606 18046
456 1 1 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.342 1.058 18046
457 1 1 . 1 1 80 80 VAL H H 80 9.608 9.608 8.204 1.404 18046
458 1 1 . 1 1 81 81 LYS N N 81 123.854 123.854 122.099 1.755 18046
459 1 1 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.877 -0.707 18046
460 1 1 . 1 1 81 81 LYS C C 81 175.225 175.225 175.821 -0.596 18046
461 1 1 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.755 0.345 18046
462 1 1 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.259 -1.059 18046
463 1 1 . 1 1 81 81 LYS H H 81 8.441 8.441 8.369 0.072 18046
464 1 1 . 1 1 82 82 GLN N N 82 121.237 121.237 120.351 0.886 18046
465 1 1 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.098 -0.138 18046
466 1 1 . 1 1 82 82 GLN C C 82 177.016 177.016 176.503 0.513 18046
467 1 1 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.834 -0.334 18046
468 1 1 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.170 -0.070 18046
469 1 1 . 1 1 82 82 GLN H H 82 6.493 6.493 8.627 -2.134 18046
470 1 1 . 1 1 83 83 GLY N N 83 118.629 118.629 113.980 4.649 18046
471 1 1 . 1 1 83 83 GLY C C 83 174.491 174.491 172.941 1.550 18046
472 1 1 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.342 1.058 18046
473 1 1 . 1 1 83 83 GLY H H 83 10.072 10.072 8.414 1.658 18046
474 1 1 . 1 1 84 84 PHE N N 84 120.834 120.834 120.227 0.607 18046
475 1 1 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046
476 1 1 . 1 1 84 84 PHE C C 84 177.056 177.056 174.368 2.688 18046
477 1 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.259 -0.759 18046
478 1 1 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.750 -2.050 18046
479 1 1 . 1 1 84 84 PHE H H 84 8.431 8.431 7.267 1.164 18046
480 1 1 . 1 1 85 85 GLU N N 85 125.174 125.174 125.272 -0.098 18046
481 1 1 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.788 -0.678 18046
482 1 1 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.716 4.164 18046
483 1 1 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.357 -3.187 18046
484 1 1 . 1 1 85 85 GLU H H 85 10.207 10.207 8.541 1.666 18046
485 1 1 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.572 0.178 18046
486 1 1 . 1 1 87 87 PRO C C 87 178.401 178.401 178.234 0.167 18046
487 1 1 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.999 -0.499 18046
488 1 1 . 1 1 87 87 PRO CB C 87 31.400 31.400 32.017 -0.617 18046
489 1 1 . 1 1 88 88 THR N N 88 107.088 107.088 112.225 -5.137 18046
490 1 1 . 1 1 88 88 THR HA H 88 4.080 4.080 4.114 -0.034 18046
491 1 1 . 1 1 88 88 THR C C 88 174.325 174.325 175.638 -1.313 18046
492 1 1 . 1 1 88 88 THR CA C 88 63.200 63.200 65.443 -2.243 18046
493 1 1 . 1 1 88 88 THR CB C 88 68.300 68.300 68.522 -0.222 18046
494 1 1 . 1 1 88 88 THR H H 88 7.316 7.316 8.305 -0.989 18046
495 1 1 . 1 1 89 89 PHE N N 89 119.031 119.031 122.229 -3.198 18046
496 1 1 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.941 -0.021 18046
497 1 1 . 1 1 89 89 PHE C C 89 175.661 175.661 177.321 -1.660 18046
498 1 1 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.927 -0.927 18046
499 1 1 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.791 2.269 18046
500 1 1 . 1 1 89 89 PHE H H 89 7.437 7.437 7.905 -0.468 18046
501 1 1 . 1 1 90 90 THR N N 90 107.216 107.216 116.425 -9.209 18046
502 1 1 . 1 1 90 90 THR HA H 90 3.210 3.210 3.320 -0.110 18046
503 1 1 . 1 1 90 90 THR C C 90 177.340 177.340 176.412 0.928 18046
504 1 1 . 1 1 90 90 THR CA C 90 65.000 65.000 67.138 -2.138 18046
505 1 1 . 1 1 90 90 THR CB C 90 68.200 68.200 67.836 0.364 18046
506 1 1 . 1 1 90 90 THR H H 90 7.675 7.675 7.931 -0.256 18046
507 1 1 . 1 1 91 91 GLY N N 91 106.674 106.674 108.979 -2.305 18046
508 1 1 . 1 1 91 91 GLY C C 91 174.591 174.591 174.471 0.120 18046
509 1 1 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.293 1.007 18046
510 1 1 . 1 1 91 91 GLY H H 91 7.865 7.865 7.297 0.568 18046
511 1 1 . 1 1 92 92 TRP N N 92 117.951 117.951 118.879 -0.928 18046
512 1 1 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.230 0.260 18046
513 1 1 . 1 1 92 92 TRP C C 92 174.042 174.042 175.476 -1.434 18046
514 1 1 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.053 0.417 18046
515 1 1 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.146 0.483 18046
516 1 1 . 1 1 92 92 TRP H H 92 7.018 7.018 7.151 -0.133 18046
517 1 1 . 1 1 93 93 PHE N N 93 118.863 118.863 115.941 2.922 18046
518 1 1 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.454 0.156 18046
519 1 1 . 1 1 93 93 PHE C C 93 175.872 175.872 176.452 -0.580 18046
520 1 1 . 1 1 93 93 PHE CA C 93 56.900 56.900 55.816 1.084 18046
521 1 1 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.824 -0.024 18046
522 1 1 . 1 1 93 93 PHE H H 93 7.956 7.956 7.632 0.324 18046
523 1 1 . 1 1 94 94 MET N N 94 121.781 121.781 118.535 3.246 18046
524 1 1 . 1 1 94 94 MET HA H 94 4.200 4.200 4.198 0.002 18046
525 1 1 . 1 1 94 94 MET C C 94 175.794 175.794 176.284 -0.490 18046
526 1 1 . 1 1 94 94 MET CA C 94 57.900 57.900 56.996 0.904 18046
527 1 1 . 1 1 94 94 MET CB C 94 32.300 32.300 32.490 -0.190 18046
528 1 1 . 1 1 94 94 MET H H 94 8.825 8.825 8.390 0.435 18046
529 1 1 . 1 1 95 95 ALA N N 95 120.648 120.648 122.242 -1.594 18046
530 1 1 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.450 -0.010 18046
531 1 1 . 1 1 95 95 ALA C C 95 175.600 175.600 176.376 -0.776 18046
532 1 1 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.928 0.872 18046
533 1 1 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.887 1.913 18046
534 1 1 . 1 1 95 95 ALA H H 95 8.037 8.037 7.573 0.464 18046
535 1 1 . 1 1 96 96 TRP N N 96 121.009 121.009 123.703 -2.694 18046
536 1 1 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.449 -0.239 18046
537 1 1 . 1 1 96 96 TRP C C 96 174.409 174.409 175.836 -1.427 18046
538 1 1 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.471 0.329 18046
539 1 1 . 1 1 96 96 TRP CB C 96 30.500 30.500 30.062 0.438 18046
540 1 1 . 1 1 96 96 TRP H H 96 8.481 8.481 8.446 0.035 18046
541 1 1 . 1 1 97 97 ASP N N 97 128.963 128.963 121.940 7.023 18046
542 1 1 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.092 -0.002 18046
543 1 1 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.188 -1.628 18046
544 1 1 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.217 -0.687 18046
545 1 1 . 1 1 97 97 ASP H H 97 8.850 8.850 9.039 -0.189 18046
546 1 1 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.442 0.068 18046
547 1 1 . 1 1 98 98 PRO C C 98 177.169 177.169 177.411 -0.242 18046
548 1 1 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.040 0.160 18046
549 1 1 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.101 0.469 18046
550 1 1 . 1 1 99 99 LEU N N 99 118.381 118.381 119.991 -1.610 18046
551 1 1 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.507 0.023 18046
552 1 1 . 1 1 99 99 LEU C C 99 177.338 177.338 178.159 -0.821 18046
553 1 1 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.586 -0.036 18046
554 1 1 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.454 0.296 18046
555 1 1 . 1 1 99 99 LEU H H 99 8.372 8.372 7.972 0.400 18046
556 1 1 . 1 1 100 100 CYS N N 100 119.396 119.396 119.214 0.182 18046
557 1 1 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.311 -0.701 18046
558 1 1 . 1 1 100 100 CYS C C 100 174.820 174.820 176.130 -1.310 18046
559 1 1 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.847 -0.347 18046
560 1 1 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.539 0.761 18046
561 1 1 . 1 1 100 100 CYS H H 100 7.052 7.052 7.868 -0.816 18046
562 1 1 . 1 1 101 101 TRP N N 101 115.737 115.737 121.053 -5.316 18046
563 1 1 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.640 0.140 18046
564 1 1 . 1 1 101 101 TRP C C 101 176.485 176.485 176.094 0.391 18046
565 1 1 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.479 1.421 18046
566 1 1 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.223 -0.123 18046
567 1 1 . 1 1 101 101 TRP H H 101 7.625 7.625 7.917 -0.292 18046
568 1 1 . 1 1 102 102 SER N N 102 115.896 115.896 115.624 0.272 18046
569 1 1 . 1 1 102 102 SER HA H 102 4.520 4.520 4.269 0.251 18046
570 1 1 . 1 1 102 102 SER C C 102 174.333 174.333 175.318 -0.985 18046
571 1 1 . 1 1 102 102 SER CA C 102 59.200 59.200 60.994 -1.794 18046
572 1 1 . 1 1 102 102 SER CB C 102 64.100 64.100 63.001 1.099 18046
573 1 1 . 1 1 102 102 SER H H 102 7.916 7.916 7.965 -0.049 18046
574 1 1 . 1 1 103 103 ASP N N 103 122.262 122.262 120.894 1.368 18046
575 1 1 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.732 -0.072 18046
576 1 1 . 1 1 103 103 ASP C C 103 176.129 176.129 178.046 -1.917 18046
577 1 1 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.503 -0.803 18046
578 1 1 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.226 -0.226 18046
579 1 1 . 1 1 103 103 ASP H H 103 8.450 8.450 7.870 0.580 18046
580 1 1 . 1 1 104 104 ARG N N 104 120.795 120.795 119.325 1.470 18046
581 1 1 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.848 0.482 18046
582 1 1 . 1 1 104 104 ARG C C 104 176.283 176.283 177.800 -1.517 18046
583 1 1 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.351 -2.151 18046
584 1 1 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.497 1.253 18046
585 1 1 . 1 1 104 104 ARG H H 104 8.117 8.117 8.257 -0.140 18046
586 1 1 . 1 1 105 105 LYS N N 105 122.131 122.131 116.552 5.579 18046
587 1 1 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.213 0.132 18046
588 1 1 . 1 1 105 105 LYS C C 105 176.284 176.284 176.535 -0.251 18046
589 1 1 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.156 -0.856 18046
590 1 1 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.075 0.025 18046
591 1 1 . 1 1 105 105 LYS H H 105 8.294 8.294 7.606 0.688 18046
592 1 1 . 1 1 106 106 SER N N 106 116.993 116.993 114.701 2.292 18046
593 1 1 . 1 1 106 106 SER HA H 106 4.470 4.470 4.638 -0.168 18046
594 1 1 . 1 1 106 106 SER CA C 106 58.300 58.300 57.307 0.993 18046
595 1 1 . 1 1 106 106 SER CB C 106 64.200 64.200 65.234 -1.034 18046
596 1 1 . 1 1 106 106 SER H H 106 8.235 8.235 7.617 0.618 18046
597 1 2 . 1 1 2 2 ARG N N 2 117.203 117.203 118.392 -1.189 18046
598 1 2 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.403 0.647 18046
599 1 2 . 1 1 2 2 ARG C C 2 172.726 172.726 174.194 -1.468 18046
600 1 2 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.716 0.484 18046
601 1 2 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.518 -2.618 18046
602 1 2 . 1 1 2 2 ARG H H 2 8.108 8.108 7.785 0.323 18046
603 1 2 . 1 1 3 3 LEU N N 3 125.261 125.261 119.167 6.094 18046
604 1 2 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.979 0.241 18046
605 1 2 . 1 1 3 3 LEU C C 3 174.166 174.166 175.422 -1.256 18046
606 1 2 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.070 -0.070 18046
607 1 2 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.382 0.018 18046
608 1 2 . 1 1 3 3 LEU H H 3 8.542 8.542 8.212 0.330 18046
609 1 2 . 1 1 4 4 PHE N N 4 123.490 123.490 116.415 7.075 18046
610 1 2 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.771 0.329 18046
611 1 2 . 1 1 4 4 PHE C C 4 174.820 174.820 174.422 0.398 18046
612 1 2 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.261 -0.971 18046
613 1 2 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.962 0.389 18046
614 1 2 . 1 1 4 4 PHE H H 4 9.591 9.591 8.667 0.924 18046
615 1 2 . 1 1 5 5 GLU N N 5 125.718 125.718 125.263 0.455 18046
616 1 2 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.697 -0.677 18046
617 1 2 . 1 1 5 5 GLU C C 5 174.892 174.892 175.863 -0.971 18046
618 1 2 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.384 -0.284 18046
619 1 2 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.157 2.693 18046
620 1 2 . 1 1 5 5 GLU H H 5 9.484 9.484 8.548 0.936 18046
621 1 2 . 1 1 6 6 CYS N N 6 127.915 127.915 126.171 1.744 18046
622 1 2 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.056 -0.036 18046
623 1 2 . 1 1 6 6 CYS C C 6 172.378 172.378 173.831 -1.453 18046
624 1 2 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.336 0.665 18046
625 1 2 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.595 0.705 18046
626 1 2 . 1 1 6 6 CYS H H 6 8.937 8.937 8.203 0.734 18046
627 1 2 . 1 1 7 7 SER N N 7 113.574 113.574 118.430 -4.856 18046
628 1 2 . 1 1 7 7 SER HA H 7 5.420 5.420 4.891 0.529 18046
629 1 2 . 1 1 7 7 SER C C 7 175.632 175.632 172.980 2.652 18046
630 1 2 . 1 1 7 7 SER CA C 7 55.400 55.400 56.675 -1.274 18046
631 1 2 . 1 1 7 7 SER CB C 7 65.900 65.900 66.031 -0.131 18046
632 1 2 . 1 1 7 7 SER H H 7 7.873 7.873 8.167 -0.294 18046
633 1 2 . 1 1 8 8 ASN N N 8 126.153 126.153 121.602 4.551 18046
634 1 2 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.117 0.523 18046
635 1 2 . 1 1 8 8 ASN C C 8 178.392 178.392 175.578 2.814 18046
636 1 2 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.743 -1.244 18046
637 1 2 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.007 -0.907 18046
638 1 2 . 1 1 8 8 ASN H H 8 10.299 10.299 8.855 1.444 18046
639 1 2 . 1 1 9 9 LYS N N 9 123.420 123.420 123.715 -0.295 18046
640 1 2 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.157 0.073 18046
641 1 2 . 1 1 9 9 LYS C C 9 177.891 177.891 177.353 0.538 18046
642 1 2 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.201 0.599 18046
643 1 2 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.926 -1.026 18046
644 1 2 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046
645 1 2 . 1 1 10 10 THR N N 10 110.292 110.292 108.247 2.045 18046
646 1 2 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046
647 1 2 . 1 1 10 10 THR C C 10 175.392 175.392 175.794 -0.402 18046
648 1 2 . 1 1 10 10 THR CA C 10 63.100 63.100 62.384 0.716 18046
649 1 2 . 1 1 10 10 THR CB C 10 70.100 70.100 70.047 0.052 18046
650 1 2 . 1 1 10 10 THR H H 10 8.525 8.525 7.925 0.600 18046
651 1 2 . 1 1 11 11 GLY N N 11 110.668 110.668 110.184 0.484 18046
652 1 2 . 1 1 11 11 GLY C C 11 172.867 172.867 173.666 -0.799 18046
653 1 2 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.106 -0.406 18046
654 1 2 . 1 1 11 11 GLY H H 11 8.266 8.266 8.113 0.153 18046
655 1 2 . 1 1 12 12 ARG N N 12 118.170 118.170 120.270 -2.100 18046
656 1 2 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046
657 1 2 . 1 1 12 12 ARG C C 12 173.924 173.924 174.580 -0.656 18046
658 1 2 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.742 -0.842 18046
659 1 2 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.949 -0.149 18046
660 1 2 . 1 1 12 12 ARG H H 12 7.538 7.538 7.833 -0.295 18046
661 1 2 . 1 1 13 13 PHE N N 13 121.956 121.956 122.999 -1.043 18046
662 1 2 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.622 -0.088 18046
663 1 2 . 1 1 13 13 PHE C C 13 174.005 174.005 174.294 -0.289 18046
664 1 2 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.473 2.027 18046
665 1 2 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.945 -0.945 18046
666 1 2 . 1 1 13 13 PHE H H 13 8.926 8.926 8.621 0.305 18046
667 1 2 . 1 1 14 14 LEU N N 14 129.824 129.824 127.101 2.723 18046
668 1 2 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.228 0.082 18046
669 1 2 . 1 1 14 14 LEU C C 14 173.801 173.801 174.132 -0.331 18046
670 1 2 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.891 1.309 18046
671 1 2 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.024 1.576 18046
672 1 2 . 1 1 14 14 LEU H H 14 8.114 8.114 7.331 0.783 18046
673 1 2 . 1 1 15 15 ALA N N 15 125.201 125.201 125.435 -0.234 18046
674 1 2 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.380 1.150 18046
675 1 2 . 1 1 15 15 ALA C C 15 177.178 177.178 176.534 0.644 18046
676 1 2 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.345 -1.545 18046
677 1 2 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.212 0.588 18046
678 1 2 . 1 1 15 15 ALA H H 15 8.234 8.234 8.179 0.055 18046
679 1 2 . 1 1 16 16 THR N N 16 119.393 119.393 118.615 0.778 18046
680 1 2 . 1 1 16 16 THR HA H 16 4.654 4.654 4.535 0.119 18046
681 1 2 . 1 1 16 16 THR C C 16 173.434 173.434 172.492 0.942 18046
682 1 2 . 1 1 16 16 THR CA C 16 61.261 61.261 60.764 0.497 18046
683 1 2 . 1 1 16 16 THR CB C 16 71.500 71.500 71.452 0.048 18046
684 1 2 . 1 1 16 16 THR H H 16 9.149 9.149 8.042 1.107 18046
685 1 2 . 1 1 17 17 GLU N N 17 128.928 128.928 123.030 5.898 18046
686 1 2 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.496 -0.106 18046
687 1 2 . 1 1 17 17 GLU C C 17 175.799 175.799 174.959 0.840 18046
688 1 2 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.725 2.075 18046
689 1 2 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.716 -2.316 18046
690 1 2 . 1 1 17 17 GLU H H 17 9.269 9.269 8.527 0.742 18046
691 1 2 . 1 1 18 18 ILE N N 18 129.185 129.185 125.906 3.279 18046
692 1 2 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.064 0.326 18046
693 1 2 . 1 1 18 18 ILE C C 18 176.202 176.202 174.719 1.483 18046
694 1 2 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.543 1.157 18046
695 1 2 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.879 -1.779 18046
696 1 2 . 1 1 18 18 ILE H H 18 8.814 8.814 8.246 0.568 18046
697 1 2 . 1 1 19 19 VAL N N 19 127.068 127.068 125.749 1.319 18046
698 1 2 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.728 0.552 18046
699 1 2 . 1 1 19 19 VAL C C 19 175.632 175.632 176.340 -0.708 18046
700 1 2 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.860 -1.260 18046
701 1 2 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.125 0.375 18046
702 1 2 . 1 1 19 19 VAL H H 19 8.600 8.600 7.970 0.630 18046
703 1 2 . 1 1 20 20 ASP N N 20 122.793 122.793 123.604 -0.811 18046
704 1 2 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.133 0.157 18046
705 1 2 . 1 1 20 20 ASP C C 20 175.742 175.742 175.225 0.517 18046
706 1 2 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.371 -0.271 18046
707 1 2 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.857 -0.857 18046
708 1 2 . 1 1 20 20 ASP H H 20 9.037 9.037 8.295 0.742 18046
709 1 2 . 1 1 21 21 PHE N N 21 113.443 113.443 123.429 -9.986 18046
710 1 2 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.692 0.118 18046
711 1 2 . 1 1 21 21 PHE C C 21 175.062 175.062 175.330 -0.268 18046
712 1 2 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.282 0.918 18046
713 1 2 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.358 -0.459 18046
714 1 2 . 1 1 21 21 PHE H H 21 6.542 6.542 7.561 -1.019 18046
715 1 2 . 1 1 22 22 THR N N 22 112.200 112.200 112.342 -0.142 18046
716 1 2 . 1 1 22 22 THR HA H 22 4.900 4.900 4.841 0.059 18046
717 1 2 . 1 1 22 22 THR C C 22 175.307 175.307 175.888 -0.581 18046
718 1 2 . 1 1 22 22 THR CA C 22 60.400 60.400 60.319 0.081 18046
719 1 2 . 1 1 22 22 THR CB C 22 73.300 73.300 71.256 2.044 18046
720 1 2 . 1 1 22 22 THR H H 22 9.640 9.640 8.229 1.411 18046
721 1 2 . 1 1 23 23 GLN N N 23 122.406 122.406 119.044 3.362 18046
722 1 2 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.087 -0.407 18046
723 1 2 . 1 1 23 23 GLN C C 23 176.527 176.527 177.334 -0.807 18046
724 1 2 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.429 0.571 18046
725 1 2 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.935 -0.335 18046
726 1 2 . 1 1 23 23 GLN H H 23 9.766 9.766 8.775 0.991 18046
727 1 2 . 1 1 24 24 ASP N N 24 114.153 114.153 120.369 -6.216 18046
728 1 2 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.458 -0.358 18046
729 1 2 . 1 1 24 24 ASP C C 24 176.528 176.528 177.295 -0.767 18046
730 1 2 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.817 -0.917 18046
731 1 2 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.349 0.411 18046
732 1 2 . 1 1 24 24 ASP H H 24 7.760 7.760 7.819 -0.059 18046
733 1 2 . 1 1 25 25 ASP N N 25 116.379 116.379 117.329 -0.950 18046
734 1 2 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.703 -0.163 18046
735 1 2 . 1 1 25 25 ASP C C 25 175.059 175.059 176.100 -1.041 18046
736 1 2 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.962 1.238 18046
737 1 2 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.798 0.702 18046
738 1 2 . 1 1 25 25 ASP H H 25 7.655 7.655 7.949 -0.294 18046
739 1 2 . 1 1 26 26 LEU N N 26 118.095 118.095 122.931 -4.836 18046
740 1 2 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.145 -0.865 18046
741 1 2 . 1 1 26 26 LEU C C 26 174.177 174.177 176.363 -2.186 18046
742 1 2 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.179 -1.279 18046
743 1 2 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.758 -1.458 18046
744 1 2 . 1 1 26 26 LEU H H 26 7.309 7.309 7.186 0.123 18046
745 1 2 . 1 1 27 27 ASP N N 27 127.757 127.757 127.141 0.616 18046
746 1 2 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.589 0.211 18046
747 1 2 . 1 1 27 27 ASP C C 27 177.178 177.178 177.049 0.129 18046
748 1 2 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.222 -0.723 18046
749 1 2 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.569 1.931 18046
750 1 2 . 1 1 27 27 ASP H H 27 8.612 8.612 8.355 0.257 18046
751 1 2 . 1 1 28 28 GLU N N 28 124.674 124.674 119.086 5.588 18046
752 1 2 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.153 0.237 18046
753 1 2 . 1 1 28 28 GLU C C 28 175.019 175.019 176.366 -1.347 18046
754 1 2 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.631 -0.931 18046
755 1 2 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.145 -0.545 18046
756 1 2 . 1 1 28 28 GLU H H 28 8.632 8.632 8.696 -0.064 18046
757 1 2 . 1 1 29 29 ASN N N 29 115.882 115.882 118.859 -2.977 18046
758 1 2 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.935 -0.305 18046
759 1 2 . 1 1 29 29 ASN C C 29 175.382 175.382 173.519 1.863 18046
760 1 2 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.797 0.003 18046
761 1 2 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.063 0.937 18046
762 1 2 . 1 1 29 29 ASN H H 29 9.360 9.360 8.330 1.030 18046
763 1 2 . 1 1 30 30 ASP N N 30 127.013 127.013 121.889 5.124 18046
764 1 2 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.876 0.674 18046
765 1 2 . 1 1 30 30 ASP C C 30 172.009 172.009 174.605 -2.596 18046
766 1 2 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.959 1.241 18046
767 1 2 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.916 -0.116 18046
768 1 2 . 1 1 30 30 ASP H H 30 8.710 8.710 8.636 0.074 18046
769 1 2 . 1 1 31 31 VAL N N 31 112.784 112.784 120.347 -7.563 18046
770 1 2 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.314 1.086 18046
771 1 2 . 1 1 31 31 VAL C C 31 173.273 173.273 175.044 -1.771 18046
772 1 2 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.003 -2.003 18046
773 1 2 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.526 3.275 18046
774 1 2 . 1 1 31 31 VAL H H 31 7.364 7.364 8.425 -1.061 18046
775 1 2 . 1 1 32 32 TYR N N 32 120.917 120.917 126.454 -5.537 18046
776 1 2 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.465 0.205 18046
777 1 2 . 1 1 32 32 TYR C C 32 174.735 174.735 175.308 -0.573 18046
778 1 2 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.464 1.337 18046
779 1 2 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.992 1.108 18046
780 1 2 . 1 1 32 32 TYR H H 32 9.698 9.698 8.101 1.597 18046
781 1 2 . 1 1 33 33 LEU N N 33 119.790 119.790 120.181 -0.391 18046
782 1 2 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.635 1.075 18046
783 1 2 . 1 1 33 33 LEU C C 33 175.551 175.551 175.168 0.383 18046
784 1 2 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.732 -2.252 18046
785 1 2 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.779 -0.494 18046
786 1 2 . 1 1 33 33 LEU H H 33 9.111 9.111 8.731 0.380 18046
787 1 2 . 1 1 34 34 LEU N N 34 125.829 125.829 127.396 -1.567 18046
788 1 2 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.197 0.213 18046
789 1 2 . 1 1 34 34 LEU C C 34 174.819 174.819 174.774 0.045 18046
790 1 2 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.253 0.067 18046
791 1 2 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.161 -0.581 18046
792 1 2 . 1 1 34 34 LEU H H 34 9.847 9.847 8.195 1.652 18046
793 1 2 . 1 1 35 35 ASP N N 35 126.739 126.739 128.409 -1.670 18046
794 1 2 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.896 0.244 18046
795 1 2 . 1 1 35 35 ASP C C 35 176.690 176.690 175.433 1.257 18046
796 1 2 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.432 -0.832 18046
797 1 2 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.675 1.525 18046
798 1 2 . 1 1 35 35 ASP H H 35 9.740 9.740 8.593 1.147 18046
799 1 2 . 1 1 36 36 THR N N 36 118.603 118.603 113.661 4.942 18046
800 1 2 . 1 1 36 36 THR HA H 36 4.290 4.290 4.237 0.053 18046
801 1 2 . 1 1 36 36 THR C C 36 175.471 175.471 174.665 0.806 18046
802 1 2 . 1 1 36 36 THR CA C 36 60.800 60.800 59.543 1.257 18046
803 1 2 . 1 1 36 36 THR CB C 36 68.500 68.500 71.054 -2.554 18046
804 1 2 . 1 1 36 36 THR H H 36 8.596 8.596 7.478 1.118 18046
805 1 2 . 1 1 37 37 TRP N N 37 122.021 122.021 122.040 -0.019 18046
806 1 2 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.480 -0.430 18046
807 1 2 . 1 1 37 37 TRP C C 37 177.341 177.341 177.296 0.045 18046
808 1 2 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.900 2.901 18046
809 1 2 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.607 -0.607 18046
810 1 2 . 1 1 37 37 TRP H H 37 9.090 9.090 8.191 0.899 18046
811 1 2 . 1 1 38 38 ASP N N 38 117.786 117.786 116.880 0.906 18046
812 1 2 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.398 -0.008 18046
813 1 2 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.208 -0.208 18046
814 1 2 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.404 -0.104 18046
815 1 2 . 1 1 38 38 ASP H H 38 8.676 8.676 8.253 0.423 18046
816 1 2 . 1 1 39 39 GLN N N 39 110.693 110.693 114.411 -3.718 18046
817 1 2 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.493 -0.003 18046
818 1 2 . 1 1 39 39 GLN C C 39 173.398 173.398 174.548 -1.150 18046
819 1 2 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.438 -0.638 18046
820 1 2 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.586 0.614 18046
821 1 2 . 1 1 39 39 GLN H H 39 7.325 7.325 7.736 -0.411 18046
822 1 2 . 1 1 40 40 ILE N N 40 120.287 120.287 122.742 -2.455 18046
823 1 2 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.588 0.392 18046
824 1 2 . 1 1 40 40 ILE C C 40 175.143 175.143 176.083 -0.940 18046
825 1 2 . 1 1 40 40 ILE CA C 40 60.100 60.100 62.023 -1.923 18046
826 1 2 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.262 1.438 18046
827 1 2 . 1 1 40 40 ILE H H 40 8.663 8.663 8.644 0.019 18046
828 1 2 . 1 1 41 41 PHE N N 41 124.653 124.653 128.014 -3.361 18046
829 1 2 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.736 0.754 18046
830 1 2 . 1 1 41 41 PHE C C 41 174.167 174.167 175.382 -1.215 18046
831 1 2 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.843 -0.443 18046
832 1 2 . 1 1 41 41 PHE CB C 41 42.200 42.200 39.626 2.574 18046
833 1 2 . 1 1 41 41 PHE H H 41 9.555 9.555 9.278 0.277 18046
834 1 2 . 1 1 42 42 PHE N N 42 128.681 128.681 125.473 3.208 18046
835 1 2 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.896 0.684 18046
836 1 2 . 1 1 42 42 PHE C C 42 172.940 172.940 174.938 -1.998 18046
837 1 2 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.939 -1.239 18046
838 1 2 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.836 2.164 18046
839 1 2 . 1 1 42 42 PHE H H 42 9.647 9.647 8.400 1.247 18046
840 1 2 . 1 1 43 43 TRP N N 43 128.634 128.634 126.120 2.514 18046
841 1 2 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.798 0.482 18046
842 1 2 . 1 1 43 43 TRP C C 43 175.877 175.877 174.720 1.157 18046
843 1 2 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.624 1.376 18046
844 1 2 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.715 2.486 18046
845 1 2 . 1 1 43 43 TRP H H 43 9.997 9.997 8.799 1.198 18046
846 1 2 . 1 1 44 44 ILE N N 44 126.166 126.166 126.066 0.100 18046
847 1 2 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.517 -0.367 18046
848 1 2 . 1 1 44 44 ILE C C 44 175.190 175.190 175.478 -0.288 18046
849 1 2 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.344 0.156 18046
850 1 2 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.561 -0.261 18046
851 1 2 . 1 1 44 44 ILE H H 44 8.359 8.359 7.860 0.499 18046
852 1 2 . 1 1 45 45 GLY N N 45 119.260 119.260 113.996 5.264 18046
853 1 2 . 1 1 45 45 GLY C C 45 176.163 176.163 174.475 1.688 18046
854 1 2 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.652 1.948 18046
855 1 2 . 1 1 45 45 GLY H H 45 7.603 7.603 8.296 -0.693 18046
856 1 2 . 1 1 46 46 LYS N N 46 124.868 124.868 119.370 5.498 18046
857 1 2 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.419 -0.349 18046
858 1 2 . 1 1 46 46 LYS C C 46 177.700 177.700 177.378 0.322 18046
859 1 2 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.458 1.742 18046
860 1 2 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.290 -0.890 18046
861 1 2 . 1 1 46 46 LYS H H 46 9.104 9.104 8.207 0.897 18046
862 1 2 . 1 1 47 47 GLY N N 47 106.230 106.230 107.433 -1.203 18046
863 1 2 . 1 1 47 47 GLY C C 47 175.326 175.326 174.056 1.270 18046
864 1 2 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.224 -1.024 18046
865 1 2 . 1 1 47 47 GLY H H 47 8.954 8.954 7.918 1.036 18046
866 1 2 . 1 1 48 48 ALA N N 48 125.925 125.925 123.091 2.834 18046
867 1 2 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.195 0.425 18046
868 1 2 . 1 1 48 48 ALA C C 48 177.829 177.829 177.526 0.303 18046
869 1 2 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.412 0.288 18046
870 1 2 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.861 1.039 18046
871 1 2 . 1 1 48 48 ALA H H 48 7.484 7.484 7.849 -0.365 18046
872 1 2 . 1 1 49 49 ASN N N 49 119.683 119.683 123.152 -3.469 18046
873 1 2 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.555 0.545 18046
874 1 2 . 1 1 49 49 ASN C C 49 175.874 175.874 176.940 -1.066 18046
875 1 2 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.921 -2.321 18046
876 1 2 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.362 1.638 18046
877 1 2 . 1 1 49 49 ASN H H 49 8.921 8.921 8.296 0.625 18046
878 1 2 . 1 1 50 50 GLU N N 50 118.057 118.057 120.750 -2.693 18046
879 1 2 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.109 -0.109 18046
880 1 2 . 1 1 50 50 GLU C C 50 178.722 178.722 178.206 0.516 18046
881 1 2 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.780 -0.180 18046
882 1 2 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.397 0.203 18046
883 1 2 . 1 1 50 50 GLU H H 50 8.828 8.828 8.993 -0.165 18046
884 1 2 . 1 1 51 51 SER N N 51 115.397 115.397 115.044 0.353 18046
885 1 2 . 1 1 51 51 SER HA H 51 4.350 4.350 4.239 0.111 18046
886 1 2 . 1 1 51 51 SER C C 51 177.932 177.932 176.354 1.578 18046
887 1 2 . 1 1 51 51 SER CA C 51 61.800 61.800 61.217 0.583 18046
888 1 2 . 1 1 51 51 SER CB C 51 62.700 62.700 62.776 -0.076 18046
889 1 2 . 1 1 51 51 SER H H 51 8.401 8.401 8.444 -0.043 18046
890 1 2 . 1 1 52 52 GLU N N 52 122.271 122.271 122.220 0.051 18046
891 1 2 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.086 0.014 18046
892 1 2 . 1 1 52 52 GLU C C 52 177.665 177.665 178.455 -0.790 18046
893 1 2 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.853 -0.653 18046
894 1 2 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.924 -0.523 18046
895 1 2 . 1 1 52 52 GLU H H 52 8.566 8.566 8.363 0.203 18046
896 1 2 . 1 1 53 53 LYS N N 53 119.319 119.319 118.410 0.909 18046
897 1 2 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.941 0.099 18046
898 1 2 . 1 1 53 53 LYS C C 53 178.727 178.727 178.461 0.266 18046
899 1 2 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.235 1.665 18046
900 1 2 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.202 0.398 18046
901 1 2 . 1 1 53 53 LYS H H 53 7.704 7.704 7.540 0.164 18046
902 1 2 . 1 1 54 54 GLU N N 54 119.268 119.268 118.824 0.444 18046
903 1 2 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.124 -0.064 18046
904 1 2 . 1 1 54 54 GLU C C 54 179.211 179.211 178.258 0.953 18046
905 1 2 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.042 0.458 18046
906 1 2 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.692 0.208 18046
907 1 2 . 1 1 54 54 GLU H H 54 8.173 8.173 7.270 0.903 18046
908 1 2 . 1 1 55 55 ALA N N 55 121.311 121.311 121.953 -0.642 18046
909 1 2 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.808 0.142 18046
910 1 2 . 1 1 55 55 ALA C C 55 180.920 180.920 179.341 1.579 18046
911 1 2 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.672 -0.172 18046
912 1 2 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.094 -1.294 18046
913 1 2 . 1 1 55 55 ALA H H 55 7.954 7.954 8.342 -0.388 18046
914 1 2 . 1 1 56 56 ALA N N 56 123.395 123.395 119.259 4.136 18046
915 1 2 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.153 -0.133 18046
916 1 2 . 1 1 56 56 ALA C C 56 178.383 178.383 178.939 -0.556 18046
917 1 2 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.597 0.803 18046
918 1 2 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.325 1.275 18046
919 1 2 . 1 1 56 56 ALA H H 56 8.393 8.393 8.045 0.348 18046
920 1 2 . 1 1 57 57 ALA N N 57 120.754 120.754 121.306 -0.552 18046
921 1 2 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.871 0.049 18046
922 1 2 . 1 1 57 57 ALA C C 57 180.433 180.433 179.516 0.917 18046
923 1 2 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.709 0.991 18046
924 1 2 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.485 -0.785 18046
925 1 2 . 1 1 57 57 ALA H H 57 7.690 7.690 7.321 0.369 18046
926 1 2 . 1 1 58 58 GLU N N 58 118.337 118.337 118.281 0.056 18046
927 1 2 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.059 0.041 18046
928 1 2 . 1 1 58 58 GLU C C 58 179.210 179.210 179.151 0.059 18046
929 1 2 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.433 -0.233 18046
930 1 2 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.587 -0.287 18046
931 1 2 . 1 1 58 58 GLU H H 58 7.423 7.423 7.867 -0.444 18046
932 1 2 . 1 1 59 59 THR N N 59 118.744 118.744 114.917 3.827 18046
933 1 2 . 1 1 59 59 THR HA H 59 3.860 3.860 4.057 -0.197 18046
934 1 2 . 1 1 59 59 THR C C 59 175.722 175.722 175.943 -0.221 18046
935 1 2 . 1 1 59 59 THR CA C 59 67.420 67.420 66.200 1.220 18046
936 1 2 . 1 1 59 59 THR CB C 59 68.590 68.590 68.704 -0.114 18046
937 1 2 . 1 1 59 59 THR H H 59 8.354 8.354 8.322 0.032 18046
938 1 2 . 1 1 60 60 ALA N N 60 122.991 122.991 122.802 0.189 18046
939 1 2 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.826 -0.096 18046
940 1 2 . 1 1 60 60 ALA C C 60 178.155 178.155 179.405 -1.250 18046
941 1 2 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.921 0.779 18046
942 1 2 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.062 -0.262 18046
943 1 2 . 1 1 60 60 ALA H H 60 8.294 8.294 7.398 0.896 18046
944 1 2 . 1 1 61 61 GLN N N 61 113.649 113.649 116.883 -3.234 18046
945 1 2 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.926 0.064 18046
946 1 2 . 1 1 61 61 GLN C C 61 178.640 178.640 178.166 0.474 18046
947 1 2 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.721 -0.801 18046
948 1 2 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.102 0.358 18046
949 1 2 . 1 1 61 61 GLN H H 61 7.215 7.215 8.129 -0.914 18046
950 1 2 . 1 1 62 62 GLU N N 62 120.684 120.684 118.520 2.164 18046
951 1 2 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.046 -0.006 18046
952 1 2 . 1 1 62 62 GLU C C 62 179.047 179.047 178.953 0.094 18046
953 1 2 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.300 -0.100 18046
954 1 2 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.162 0.138 18046
955 1 2 . 1 1 62 62 GLU H H 62 8.126 8.126 7.820 0.306 18046
956 1 2 . 1 1 63 63 TYR N N 63 122.118 122.118 120.884 1.234 18046
957 1 2 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.175 0.055 18046
958 1 2 . 1 1 63 63 TYR C C 63 178.643 178.643 177.497 1.146 18046
959 1 2 . 1 1 63 63 TYR CA C 63 60.100 60.100 61.059 -0.959 18046
960 1 2 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.527 -0.727 18046
961 1 2 . 1 1 63 63 TYR H H 63 8.796 8.796 7.868 0.928 18046
962 1 2 . 1 1 64 64 LEU N N 64 119.163 119.163 118.414 0.749 18046
963 1 2 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.949 -0.269 18046
964 1 2 . 1 1 64 64 LEU C C 64 178.475 178.475 179.571 -1.096 18046
965 1 2 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.213 -0.213 18046
966 1 2 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.807 1.693 18046
967 1 2 . 1 1 64 64 LEU H H 64 7.799 7.799 7.729 0.070 18046
968 1 2 . 1 1 65 65 ARG N N 65 116.868 116.868 115.267 1.601 18046
969 1 2 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.117 -0.047 18046
970 1 2 . 1 1 65 65 ARG C C 65 177.464 177.464 177.150 0.314 18046
971 1 2 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.066 0.534 18046
972 1 2 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.121 0.679 18046
973 1 2 . 1 1 65 65 ARG H H 65 7.842 7.842 7.689 0.153 18046
974 1 2 . 1 1 66 66 SER N N 66 112.527 112.527 112.339 0.188 18046
975 1 2 . 1 1 66 66 SER HA H 66 4.360 4.360 4.278 0.082 18046
976 1 2 . 1 1 66 66 SER C C 66 174.087 174.087 174.850 -0.763 18046
977 1 2 . 1 1 66 66 SER CA C 66 59.440 59.440 59.305 0.135 18046
978 1 2 . 1 1 66 66 SER CB C 66 64.120 64.120 63.720 0.400 18046
979 1 2 . 1 1 66 66 SER H H 66 7.907 7.907 7.624 0.283 18046
980 1 2 . 1 1 67 67 HIS N N 67 123.090 123.090 121.910 1.180 18046
981 1 2 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.768 -0.108 18046
982 1 2 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.048 2.352 18046
983 1 2 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.666 -1.066 18046
984 1 2 . 1 1 67 67 HIS H H 67 7.515 7.515 7.371 0.144 18046
985 1 2 . 1 1 68 68 PRO C C 68 176.365 176.365 176.676 -0.311 18046
986 1 2 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.523 5.837 18046
987 1 2 . 1 1 69 69 GLY N N 69 124.202 124.202 105.910 18.292 18046
988 1 2 . 1 1 69 69 GLY C C 69 174.331 174.331 173.766 0.565 18046
989 1 2 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.529 1.171 18046
990 1 2 . 1 1 69 69 GLY H H 69 8.166 8.166 8.160 0.006 18046
991 1 2 . 1 1 70 70 SER N N 70 115.467 115.467 116.546 -1.079 18046
992 1 2 . 1 1 70 70 SER HA H 70 4.450 4.450 4.574 -0.124 18046
993 1 2 . 1 1 70 70 SER C C 70 174.329 174.329 175.470 -1.141 18046
994 1 2 . 1 1 70 70 SER CA C 70 58.640 58.640 58.913 -0.273 18046
995 1 2 . 1 1 70 70 SER CB C 70 63.040 63.040 64.271 -1.231 18046
996 1 2 . 1 1 70 70 SER H H 70 8.280 8.280 8.866 -0.586 18046
997 1 2 . 1 1 71 71 ARG N N 71 120.585 120.585 120.912 -0.327 18046
998 1 2 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.795 -0.565 18046
999 1 2 . 1 1 71 71 ARG C C 71 175.793 175.793 175.719 0.074 18046
1000 1 2 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.453 -0.353 18046
1001 1 2 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.486 0.914 18046
1002 1 2 . 1 1 71 71 ARG H H 71 8.341 8.341 8.416 -0.075 18046
1003 1 2 . 1 1 72 72 ASP N N 72 120.258 120.258 118.548 1.710 18046
1004 1 2 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.458 -0.018 18046
1005 1 2 . 1 1 72 72 ASP C C 72 178.038 178.038 176.904 1.134 18046
1006 1 2 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.186 -2.656 18046
1007 1 2 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.588 0.182 18046
1008 1 2 . 1 1 72 72 ASP H H 72 8.471 8.471 8.473 -0.002 18046
1009 1 2 . 1 1 73 73 LEU N N 73 127.518 127.518 115.705 11.813 18046
1010 1 2 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.289 -0.199 18046
1011 1 2 . 1 1 73 73 LEU C C 73 177.417 177.417 177.337 0.080 18046
1012 1 2 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.014 0.986 18046
1013 1 2 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.565 -1.565 18046
1014 1 2 . 1 1 73 73 LEU H H 73 8.826 8.826 7.805 1.021 18046
1015 1 2 . 1 1 74 74 ASP N N 74 117.787 117.787 117.747 0.040 18046
1016 1 2 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.469 0.271 18046
1017 1 2 . 1 1 74 74 ASP C C 74 175.765 175.765 176.721 -0.956 18046
1018 1 2 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.190 -2.290 18046
1019 1 2 . 1 1 74 74 ASP CB C 74 40.470 40.470 41.000 -0.530 18046
1020 1 2 . 1 1 74 74 ASP H H 74 8.480 8.480 8.058 0.422 18046
1021 1 2 . 1 1 75 75 THR N N 75 119.682 119.682 117.443 2.239 18046
1022 1 2 . 1 1 75 75 THR HA H 75 4.210 4.210 4.537 -0.327 18046
1023 1 2 . 1 1 75 75 THR CA C 75 62.440 62.440 61.340 1.100 18046
1024 1 2 . 1 1 75 75 THR CB C 75 70.940 70.940 69.014 1.926 18046
1025 1 2 . 1 1 75 75 THR H H 75 7.303 7.303 7.641 -0.338 18046
1026 1 2 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.361 -0.121 18046
1027 1 2 . 1 1 76 76 PRO C C 76 174.823 174.823 175.926 -1.103 18046
1028 1 2 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.459 1.141 18046
1029 1 2 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.263 0.837 18046
1030 1 2 . 1 1 77 77 ILE N N 77 121.906 121.906 120.989 0.917 18046
1031 1 2 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.931 1.059 18046
1032 1 2 . 1 1 77 77 ILE C C 77 176.571 176.571 176.461 0.110 18046
1033 1 2 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.660 -1.160 18046
1034 1 2 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.674 -0.574 18046
1035 1 2 . 1 1 77 77 ILE H H 77 8.052 8.052 7.931 0.121 18046
1036 1 2 . 1 1 78 78 ILE N N 78 130.054 130.054 128.153 1.901 18046
1037 1 2 . 1 1 78 78 ILE HA H 78 4.300 4.300 3.991 0.309 18046
1038 1 2 . 1 1 78 78 ILE C C 78 175.471 175.471 175.439 0.032 18046
1039 1 2 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.835 -1.035 18046
1040 1 2 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.101 2.199 18046
1041 1 2 . 1 1 78 78 ILE H H 78 8.977 8.977 8.320 0.657 18046
1042 1 2 . 1 1 79 79 VAL N N 79 130.072 130.072 127.867 2.205 18046
1043 1 2 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.940 0.750 18046
1044 1 2 . 1 1 79 79 VAL C C 79 176.024 176.024 175.781 0.243 18046
1045 1 2 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.460 0.440 18046
1046 1 2 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.156 -0.456 18046
1047 1 2 . 1 1 79 79 VAL H H 79 8.872 8.872 7.969 0.903 18046
1048 1 2 . 1 1 80 80 VAL N N 80 129.055 129.055 126.533 2.522 18046
1049 1 2 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.292 0.128 18046
1050 1 2 . 1 1 80 80 VAL C C 80 173.028 173.028 174.557 -1.529 18046
1051 1 2 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.687 -0.687 18046
1052 1 2 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.157 1.243 18046
1053 1 2 . 1 1 80 80 VAL H H 80 9.608 9.608 8.234 1.374 18046
1054 1 2 . 1 1 81 81 LYS N N 81 123.854 123.854 123.514 0.340 18046
1055 1 2 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.661 -0.491 18046
1056 1 2 . 1 1 81 81 LYS C C 81 175.225 175.225 175.868 -0.643 18046
1057 1 2 . 1 1 81 81 LYS CA C 81 55.100 55.100 55.287 -0.187 18046
1058 1 2 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.469 -0.269 18046
1059 1 2 . 1 1 81 81 LYS H H 81 8.441 8.441 8.417 0.024 18046
1060 1 2 . 1 1 82 82 GLN N N 82 121.237 121.237 120.637 0.600 18046
1061 1 2 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.086 -0.126 18046
1062 1 2 . 1 1 82 82 GLN C C 82 177.016 177.016 176.493 0.523 18046
1063 1 2 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.803 -0.303 18046
1064 1 2 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.059 0.041 18046
1065 1 2 . 1 1 82 82 GLN H H 82 6.493 6.493 8.563 -2.070 18046
1066 1 2 . 1 1 83 83 GLY N N 83 118.629 118.629 113.484 5.145 18046
1067 1 2 . 1 1 83 83 GLY C C 83 174.491 174.491 172.830 1.661 18046
1068 1 2 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.399 1.001 18046
1069 1 2 . 1 1 83 83 GLY H H 83 10.072 10.072 8.424 1.648 18046
1070 1 2 . 1 1 84 84 PHE N N 84 120.834 120.834 120.047 0.787 18046
1071 1 2 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.621 0.289 18046
1072 1 2 . 1 1 84 84 PHE C C 84 177.056 177.056 174.317 2.739 18046
1073 1 2 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.188 -0.688 18046
1074 1 2 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.906 -2.206 18046
1075 1 2 . 1 1 84 84 PHE H H 84 8.431 8.431 7.238 1.193 18046
1076 1 2 . 1 1 85 85 GLU N N 85 125.174 125.174 125.331 -0.157 18046
1077 1 2 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.817 -0.707 18046
1078 1 2 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.498 4.383 18046
1079 1 2 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.171 -3.001 18046
1080 1 2 . 1 1 85 85 GLU H H 85 10.207 10.207 8.519 1.688 18046
1081 1 2 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.489 0.261 18046
1082 1 2 . 1 1 87 87 PRO C C 87 178.401 178.401 178.028 0.373 18046
1083 1 2 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.945 -0.445 18046
1084 1 2 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.947 -0.547 18046
1085 1 2 . 1 1 88 88 THR N N 88 107.088 107.088 112.288 -5.200 18046
1086 1 2 . 1 1 88 88 THR HA H 88 4.080 4.080 4.065 0.015 18046
1087 1 2 . 1 1 88 88 THR C C 88 174.325 174.325 175.713 -1.388 18046
1088 1 2 . 1 1 88 88 THR CA C 88 63.200 63.200 65.010 -1.810 18046
1089 1 2 . 1 1 88 88 THR CB C 88 68.300 68.300 68.168 0.132 18046
1090 1 2 . 1 1 88 88 THR H H 88 7.316 7.316 8.146 -0.830 18046
1091 1 2 . 1 1 89 89 PHE N N 89 119.031 119.031 122.206 -3.175 18046
1092 1 2 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.968 -0.048 18046
1093 1 2 . 1 1 89 89 PHE C C 89 175.661 175.661 177.302 -1.641 18046
1094 1 2 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.878 -0.878 18046
1095 1 2 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.817 2.243 18046
1096 1 2 . 1 1 89 89 PHE H H 89 7.437 7.437 7.890 -0.453 18046
1097 1 2 . 1 1 90 90 THR N N 90 107.216 107.216 116.143 -8.927 18046
1098 1 2 . 1 1 90 90 THR HA H 90 3.210 3.210 3.263 -0.053 18046
1099 1 2 . 1 1 90 90 THR C C 90 177.340 177.340 176.796 0.544 18046
1100 1 2 . 1 1 90 90 THR CA C 90 65.000 65.000 67.153 -2.153 18046
1101 1 2 . 1 1 90 90 THR CB C 90 68.200 68.200 67.780 0.420 18046
1102 1 2 . 1 1 90 90 THR H H 90 7.675 7.675 7.940 -0.265 18046
1103 1 2 . 1 1 91 91 GLY N N 91 106.674 106.674 109.103 -2.429 18046
1104 1 2 . 1 1 91 91 GLY C C 91 174.591 174.591 174.649 -0.058 18046
1105 1 2 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.703 0.597 18046
1106 1 2 . 1 1 91 91 GLY H H 91 7.865 7.865 7.402 0.463 18046
1107 1 2 . 1 1 92 92 TRP N N 92 117.951 117.951 118.862 -0.911 18046
1108 1 2 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.278 0.212 18046
1109 1 2 . 1 1 92 92 TRP C C 92 174.042 174.042 176.083 -2.041 18046
1110 1 2 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.097 0.373 18046
1111 1 2 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.264 0.366 18046
1112 1 2 . 1 1 92 92 TRP H H 92 7.018 7.018 7.172 -0.154 18046
1113 1 2 . 1 1 93 93 PHE N N 93 118.863 118.863 115.433 3.430 18046
1114 1 2 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.221 0.389 18046
1115 1 2 . 1 1 93 93 PHE C C 93 175.872 175.872 176.746 -0.874 18046
1116 1 2 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.215 -0.315 18046
1117 1 2 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.054 0.746 18046
1118 1 2 . 1 1 93 93 PHE H H 93 7.956 7.956 7.633 0.323 18046
1119 1 2 . 1 1 94 94 MET N N 94 121.781 121.781 119.151 2.630 18046
1120 1 2 . 1 1 94 94 MET HA H 94 4.200 4.200 4.179 0.021 18046
1121 1 2 . 1 1 94 94 MET C C 94 175.794 175.794 175.942 -0.148 18046
1122 1 2 . 1 1 94 94 MET CA C 94 57.900 57.900 56.762 1.138 18046
1123 1 2 . 1 1 94 94 MET CB C 94 32.300 32.300 32.496 -0.196 18046
1124 1 2 . 1 1 94 94 MET H H 94 8.825 8.825 8.590 0.235 18046
1125 1 2 . 1 1 95 95 ALA N N 95 120.648 120.648 122.246 -1.598 18046
1126 1 2 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.430 0.010 18046
1127 1 2 . 1 1 95 95 ALA C C 95 175.600 175.600 176.460 -0.860 18046
1128 1 2 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.924 0.876 18046
1129 1 2 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.996 1.804 18046
1130 1 2 . 1 1 95 95 ALA H H 95 8.037 8.037 7.559 0.478 18046
1131 1 2 . 1 1 96 96 TRP N N 96 121.009 121.009 123.585 -2.576 18046
1132 1 2 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.380 -0.170 18046
1133 1 2 . 1 1 96 96 TRP C C 96 174.409 174.409 176.031 -1.622 18046
1134 1 2 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.721 0.079 18046
1135 1 2 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.950 0.550 18046
1136 1 2 . 1 1 96 96 TRP H H 96 8.481 8.481 8.416 0.065 18046
1137 1 2 . 1 1 97 97 ASP N N 97 128.963 128.963 121.220 7.743 18046
1138 1 2 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.110 -0.020 18046
1139 1 2 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.785 -1.225 18046
1140 1 2 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.751 -0.221 18046
1141 1 2 . 1 1 97 97 ASP H H 97 8.850 8.850 8.897 -0.047 18046
1142 1 2 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.399 0.111 18046
1143 1 2 . 1 1 98 98 PRO C C 98 177.169 177.169 177.311 -0.142 18046
1144 1 2 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.101 0.099 18046
1145 1 2 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.979 0.591 18046
1146 1 2 . 1 1 99 99 LEU N N 99 118.381 118.381 118.961 -0.580 18046
1147 1 2 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.478 0.052 18046
1148 1 2 . 1 1 99 99 LEU C C 99 177.338 177.338 178.054 -0.716 18046
1149 1 2 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.943 -0.393 18046
1150 1 2 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.447 -0.697 18046
1151 1 2 . 1 1 99 99 LEU H H 99 8.372 8.372 7.618 0.754 18046
1152 1 2 . 1 1 100 100 CYS N N 100 119.396 119.396 119.248 0.148 18046
1153 1 2 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.288 -0.678 18046
1154 1 2 . 1 1 100 100 CYS C C 100 174.820 174.820 175.981 -1.161 18046
1155 1 2 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.851 -1.351 18046
1156 1 2 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.790 0.510 18046
1157 1 2 . 1 1 100 100 CYS H H 100 7.052 7.052 7.816 -0.764 18046
1158 1 2 . 1 1 101 101 TRP N N 101 115.737 115.737 121.039 -5.302 18046
1159 1 2 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.617 0.163 18046
1160 1 2 . 1 1 101 101 TRP C C 101 176.485 176.485 176.097 0.388 18046
1161 1 2 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.511 1.389 18046
1162 1 2 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.176 -0.076 18046
1163 1 2 . 1 1 101 101 TRP H H 101 7.625 7.625 7.869 -0.244 18046
1164 1 2 . 1 1 102 102 SER N N 102 115.896 115.896 115.191 0.705 18046
1165 1 2 . 1 1 102 102 SER HA H 102 4.520 4.520 4.295 0.225 18046
1166 1 2 . 1 1 102 102 SER C C 102 174.333 174.333 175.637 -1.304 18046
1167 1 2 . 1 1 102 102 SER CA C 102 59.200 59.200 60.502 -1.302 18046
1168 1 2 . 1 1 102 102 SER CB C 102 64.100 64.100 63.029 1.071 18046
1169 1 2 . 1 1 102 102 SER H H 102 7.916 7.916 7.707 0.209 18046
1170 1 2 . 1 1 103 103 ASP N N 103 122.262 122.262 119.941 2.321 18046
1171 1 2 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.763 -0.103 18046
1172 1 2 . 1 1 103 103 ASP C C 103 176.129 176.129 177.982 -1.853 18046
1173 1 2 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.354 -0.654 18046
1174 1 2 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.388 -0.388 18046
1175 1 2 . 1 1 103 103 ASP H H 103 8.450 8.450 7.806 0.644 18046
1176 1 2 . 1 1 104 104 ARG N N 104 120.795 120.795 119.575 1.220 18046
1177 1 2 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.905 0.425 18046
1178 1 2 . 1 1 104 104 ARG C C 104 176.283 176.283 177.511 -1.228 18046
1179 1 2 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.310 -2.110 18046
1180 1 2 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.424 1.327 18046
1181 1 2 . 1 1 104 104 ARG H H 104 8.117 8.117 8.182 -0.065 18046
1182 1 2 . 1 1 105 105 LYS N N 105 122.131 122.131 116.787 5.344 18046
1183 1 2 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.353 -0.008 18046
1184 1 2 . 1 1 105 105 LYS C C 105 176.284 176.284 176.774 -0.490 18046
1185 1 2 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.608 -0.308 18046
1186 1 2 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.724 0.376 18046
1187 1 2 . 1 1 105 105 LYS H H 105 8.294 8.294 8.064 0.230 18046
1188 1 2 . 1 1 106 106 SER N N 106 116.993 116.993 115.364 1.629 18046
1189 1 2 . 1 1 106 106 SER HA H 106 4.470 4.470 4.602 -0.132 18046
1190 1 2 . 1 1 106 106 SER CA C 106 58.300 58.300 57.489 0.811 18046
1191 1 2 . 1 1 106 106 SER CB C 106 64.200 64.200 64.585 -0.385 18046
1192 1 2 . 1 1 106 106 SER H H 106 8.235 8.235 7.665 0.570 18046
1193 1 3 . 1 1 2 2 ARG N N 2 117.203 117.203 119.268 -2.065 18046
1194 1 3 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.426 0.624 18046
1195 1 3 . 1 1 2 2 ARG C C 2 172.726 172.726 175.437 -2.711 18046
1196 1 3 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.431 0.769 18046
1197 1 3 . 1 1 2 2 ARG CB C 2 29.900 29.900 31.050 -1.150 18046
1198 1 3 . 1 1 2 2 ARG H H 2 8.108 8.108 7.894 0.214 18046
1199 1 3 . 1 1 3 3 LEU N N 3 125.261 125.261 122.450 2.811 18046
1200 1 3 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.726 0.494 18046
1201 1 3 . 1 1 3 3 LEU C C 3 174.166 174.166 175.955 -1.789 18046
1202 1 3 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.822 -0.822 18046
1203 1 3 . 1 1 3 3 LEU CB C 3 45.400 45.400 43.987 1.413 18046
1204 1 3 . 1 1 3 3 LEU H H 3 8.542 8.542 7.938 0.604 18046
1205 1 3 . 1 1 4 4 PHE N N 4 123.490 123.490 116.883 6.607 18046
1206 1 3 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.796 0.304 18046
1207 1 3 . 1 1 4 4 PHE C C 4 174.820 174.820 174.802 0.018 18046
1208 1 3 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.452 -1.162 18046
1209 1 3 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.739 0.611 18046
1210 1 3 . 1 1 4 4 PHE H H 4 9.591 9.591 8.694 0.897 18046
1211 1 3 . 1 1 5 5 GLU N N 5 125.718 125.718 124.397 1.321 18046
1212 1 3 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.885 -0.865 18046
1213 1 3 . 1 1 5 5 GLU C C 5 174.892 174.892 175.686 -0.794 18046
1214 1 3 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.369 -0.269 18046
1215 1 3 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.794 2.057 18046
1216 1 3 . 1 1 5 5 GLU H H 5 9.484 9.484 8.455 1.029 18046
1217 1 3 . 1 1 6 6 CYS N N 6 127.915 127.915 126.254 1.661 18046
1218 1 3 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.124 -0.104 18046
1219 1 3 . 1 1 6 6 CYS C C 6 172.378 172.378 173.784 -1.406 18046
1220 1 3 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.661 0.339 18046
1221 1 3 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.595 -0.295 18046
1222 1 3 . 1 1 6 6 CYS H H 6 8.937 8.937 8.251 0.686 18046
1223 1 3 . 1 1 7 7 SER N N 7 113.574 113.574 117.861 -4.287 18046
1224 1 3 . 1 1 7 7 SER HA H 7 5.420 5.420 4.878 0.542 18046
1225 1 3 . 1 1 7 7 SER C C 7 175.632 175.632 172.937 2.695 18046
1226 1 3 . 1 1 7 7 SER CA C 7 55.400 55.400 56.628 -1.228 18046
1227 1 3 . 1 1 7 7 SER CB C 7 65.900 65.900 65.848 0.052 18046
1228 1 3 . 1 1 7 7 SER H H 7 7.873 7.873 8.176 -0.303 18046
1229 1 3 . 1 1 8 8 ASN N N 8 126.153 126.153 121.481 4.672 18046
1230 1 3 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.115 0.525 18046
1231 1 3 . 1 1 8 8 ASN C C 8 178.392 178.392 175.623 2.769 18046
1232 1 3 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.766 -1.266 18046
1233 1 3 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.027 -0.927 18046
1234 1 3 . 1 1 8 8 ASN H H 8 10.299 10.299 8.840 1.459 18046
1235 1 3 . 1 1 9 9 LYS N N 9 123.420 123.420 123.691 -0.271 18046
1236 1 3 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.159 0.071 18046
1237 1 3 . 1 1 9 9 LYS C C 9 177.891 177.891 177.361 0.530 18046
1238 1 3 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.224 0.576 18046
1239 1 3 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.919 -1.019 18046
1240 1 3 . 1 1 9 9 LYS H H 9 9.064 9.064 8.484 0.580 18046
1241 1 3 . 1 1 10 10 THR N N 10 110.292 110.292 108.237 2.055 18046
1242 1 3 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046
1243 1 3 . 1 1 10 10 THR C C 10 175.392 175.392 175.774 -0.382 18046
1244 1 3 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046
1245 1 3 . 1 1 10 10 THR CB C 10 70.100 70.100 70.050 0.050 18046
1246 1 3 . 1 1 10 10 THR H H 10 8.525 8.525 7.921 0.604 18046
1247 1 3 . 1 1 11 11 GLY N N 11 110.668 110.668 110.188 0.480 18046
1248 1 3 . 1 1 11 11 GLY C C 11 172.867 172.867 173.654 -0.787 18046
1249 1 3 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046
1250 1 3 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046
1251 1 3 . 1 1 12 12 ARG N N 12 118.170 118.170 120.294 -2.124 18046
1252 1 3 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046
1253 1 3 . 1 1 12 12 ARG C C 12 173.924 173.924 174.591 -0.667 18046
1254 1 3 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.740 -0.840 18046
1255 1 3 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.925 -0.125 18046
1256 1 3 . 1 1 12 12 ARG H H 12 7.538 7.538 7.834 -0.296 18046
1257 1 3 . 1 1 13 13 PHE N N 13 121.956 121.956 123.123 -1.167 18046
1258 1 3 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.615 -0.081 18046
1259 1 3 . 1 1 13 13 PHE C C 13 174.005 174.005 174.296 -0.291 18046
1260 1 3 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.522 1.978 18046
1261 1 3 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.933 -0.933 18046
1262 1 3 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046
1263 1 3 . 1 1 14 14 LEU N N 14 129.824 129.824 127.123 2.701 18046
1264 1 3 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.236 0.074 18046
1265 1 3 . 1 1 14 14 LEU C C 14 173.801 173.801 174.139 -0.338 18046
1266 1 3 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.894 1.306 18046
1267 1 3 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.067 1.533 18046
1268 1 3 . 1 1 14 14 LEU H H 14 8.114 8.114 7.328 0.786 18046
1269 1 3 . 1 1 15 15 ALA N N 15 125.201 125.201 125.662 -0.461 18046
1270 1 3 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.376 1.154 18046
1271 1 3 . 1 1 15 15 ALA C C 15 177.178 177.178 176.207 0.971 18046
1272 1 3 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.233 -1.433 18046
1273 1 3 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.522 0.278 18046
1274 1 3 . 1 1 15 15 ALA H H 15 8.234 8.234 8.194 0.040 18046
1275 1 3 . 1 1 16 16 THR N N 16 119.393 119.393 119.742 -0.349 18046
1276 1 3 . 1 1 16 16 THR HA H 16 4.654 4.654 4.516 0.138 18046
1277 1 3 . 1 1 16 16 THR C C 16 173.434 173.434 172.708 0.726 18046
1278 1 3 . 1 1 16 16 THR CA C 16 61.261 61.261 61.680 -0.419 18046
1279 1 3 . 1 1 16 16 THR CB C 16 71.500 71.500 71.872 -0.372 18046
1280 1 3 . 1 1 16 16 THR H H 16 9.149 9.149 8.032 1.117 18046
1281 1 3 . 1 1 17 17 GLU N N 17 128.928 128.928 125.658 3.270 18046
1282 1 3 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.381 0.009 18046
1283 1 3 . 1 1 17 17 GLU C C 17 175.799 175.799 174.977 0.822 18046
1284 1 3 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.763 1.037 18046
1285 1 3 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.827 -1.427 18046
1286 1 3 . 1 1 17 17 GLU H H 17 9.269 9.269 8.609 0.660 18046
1287 1 3 . 1 1 18 18 ILE N N 18 129.185 129.185 126.355 2.830 18046
1288 1 3 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.054 0.336 18046
1289 1 3 . 1 1 18 18 ILE C C 18 176.202 176.202 174.570 1.632 18046
1290 1 3 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.294 1.406 18046
1291 1 3 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.213 -1.113 18046
1292 1 3 . 1 1 18 18 ILE H H 18 8.814 8.814 8.185 0.629 18046
1293 1 3 . 1 1 19 19 VAL N N 19 127.068 127.068 125.386 1.682 18046
1294 1 3 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.627 0.652 18046
1295 1 3 . 1 1 19 19 VAL C C 19 175.632 175.632 176.021 -0.389 18046
1296 1 3 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.786 -1.187 18046
1297 1 3 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.174 0.326 18046
1298 1 3 . 1 1 19 19 VAL H H 19 8.600 8.600 8.109 0.491 18046
1299 1 3 . 1 1 20 20 ASP N N 20 122.793 122.793 123.163 -0.370 18046
1300 1 3 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.207 0.083 18046
1301 1 3 . 1 1 20 20 ASP C C 20 175.742 175.742 175.335 0.407 18046
1302 1 3 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.507 -0.407 18046
1303 1 3 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.160 -1.160 18046
1304 1 3 . 1 1 20 20 ASP H H 20 9.037 9.037 8.358 0.679 18046
1305 1 3 . 1 1 21 21 PHE N N 21 113.443 113.443 123.490 -10.047 18046
1306 1 3 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.693 0.117 18046
1307 1 3 . 1 1 21 21 PHE C C 21 175.062 175.062 175.582 -0.520 18046
1308 1 3 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.290 0.910 18046
1309 1 3 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.418 -0.518 18046
1310 1 3 . 1 1 21 21 PHE H H 21 6.542 6.542 7.572 -1.030 18046
1311 1 3 . 1 1 22 22 THR N N 22 112.200 112.200 111.736 0.464 18046
1312 1 3 . 1 1 22 22 THR HA H 22 4.900 4.900 4.840 0.060 18046
1313 1 3 . 1 1 22 22 THR C C 22 175.307 175.307 175.600 -0.293 18046
1314 1 3 . 1 1 22 22 THR CA C 22 60.400 60.400 60.831 -0.431 18046
1315 1 3 . 1 1 22 22 THR CB C 22 73.300 73.300 70.862 2.438 18046
1316 1 3 . 1 1 22 22 THR H H 22 9.640 9.640 8.168 1.472 18046
1317 1 3 . 1 1 23 23 GLN N N 23 122.406 122.406 118.189 4.217 18046
1318 1 3 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.239 -0.559 18046
1319 1 3 . 1 1 23 23 GLN C C 23 176.527 176.527 177.282 -0.755 18046
1320 1 3 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.819 1.181 18046
1321 1 3 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.854 -0.254 18046
1322 1 3 . 1 1 23 23 GLN H H 23 9.766 9.766 8.721 1.045 18046
1323 1 3 . 1 1 24 24 ASP N N 24 114.153 114.153 120.707 -6.554 18046
1324 1 3 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.460 -0.360 18046
1325 1 3 . 1 1 24 24 ASP C C 24 176.528 176.528 177.389 -0.861 18046
1326 1 3 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.786 -0.886 18046
1327 1 3 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.456 0.304 18046
1328 1 3 . 1 1 24 24 ASP H H 24 7.760 7.760 7.829 -0.069 18046
1329 1 3 . 1 1 25 25 ASP N N 25 116.379 116.379 116.901 -0.522 18046
1330 1 3 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.706 -0.166 18046
1331 1 3 . 1 1 25 25 ASP C C 25 175.059 175.059 176.129 -1.070 18046
1332 1 3 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.272 0.928 18046
1333 1 3 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.715 0.785 18046
1334 1 3 . 1 1 25 25 ASP H H 25 7.655 7.655 8.416 -0.761 18046
1335 1 3 . 1 1 26 26 LEU N N 26 118.095 118.095 122.495 -4.400 18046
1336 1 3 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.080 -0.800 18046
1337 1 3 . 1 1 26 26 LEU C C 26 174.177 174.177 176.581 -2.404 18046
1338 1 3 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.530 -1.630 18046
1339 1 3 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.529 -1.229 18046
1340 1 3 . 1 1 26 26 LEU H H 26 7.309 7.309 7.171 0.138 18046
1341 1 3 . 1 1 27 27 ASP N N 27 127.757 127.757 126.303 1.454 18046
1342 1 3 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.575 0.225 18046
1343 1 3 . 1 1 27 27 ASP C C 27 177.178 177.178 177.080 0.098 18046
1344 1 3 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.238 -0.738 18046
1345 1 3 . 1 1 27 27 ASP CB C 27 43.500 43.500 42.040 1.460 18046
1346 1 3 . 1 1 27 27 ASP H H 27 8.612 8.612 8.178 0.434 18046
1347 1 3 . 1 1 28 28 GLU N N 28 124.674 124.674 119.973 4.701 18046
1348 1 3 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.205 0.185 18046
1349 1 3 . 1 1 28 28 GLU C C 28 175.019 175.019 176.562 -1.543 18046
1350 1 3 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.843 -1.143 18046
1351 1 3 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.340 -0.740 18046
1352 1 3 . 1 1 28 28 GLU H H 28 8.632 8.632 8.724 -0.092 18046
1353 1 3 . 1 1 29 29 ASN N N 29 115.882 115.882 118.409 -2.527 18046
1354 1 3 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.982 -0.352 18046
1355 1 3 . 1 1 29 29 ASN C C 29 175.382 175.382 173.604 1.778 18046
1356 1 3 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.814 -0.014 18046
1357 1 3 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.485 0.515 18046
1358 1 3 . 1 1 29 29 ASN H H 29 9.360 9.360 8.185 1.175 18046
1359 1 3 . 1 1 30 30 ASP N N 30 127.013 127.013 121.570 5.443 18046
1360 1 3 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.714 0.836 18046
1361 1 3 . 1 1 30 30 ASP C C 30 172.009 172.009 174.419 -2.410 18046
1362 1 3 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.278 0.922 18046
1363 1 3 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.086 -0.286 18046
1364 1 3 . 1 1 30 30 ASP H H 30 8.710 8.710 7.858 0.852 18046
1365 1 3 . 1 1 31 31 VAL N N 31 112.784 112.784 120.453 -7.669 18046
1366 1 3 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.137 1.263 18046
1367 1 3 . 1 1 31 31 VAL C C 31 173.273 173.273 175.012 -1.739 18046
1368 1 3 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.007 -2.007 18046
1369 1 3 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.289 3.511 18046
1370 1 3 . 1 1 31 31 VAL H H 31 7.364 7.364 8.370 -1.006 18046
1371 1 3 . 1 1 32 32 TYR N N 32 120.917 120.917 126.269 -5.352 18046
1372 1 3 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.295 0.375 18046
1373 1 3 . 1 1 32 32 TYR C C 32 174.735 174.735 175.222 -0.487 18046
1374 1 3 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.470 1.330 18046
1375 1 3 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.417 1.683 18046
1376 1 3 . 1 1 32 32 TYR H H 32 9.698 9.698 7.893 1.805 18046
1377 1 3 . 1 1 33 33 LEU N N 33 119.790 119.790 120.975 -1.185 18046
1378 1 3 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.671 1.039 18046
1379 1 3 . 1 1 33 33 LEU C C 33 175.551 175.551 175.599 -0.048 18046
1380 1 3 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.146 -1.666 18046
1381 1 3 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.681 0.604 18046
1382 1 3 . 1 1 33 33 LEU H H 33 9.111 9.111 8.867 0.244 18046
1383 1 3 . 1 1 34 34 LEU N N 34 125.829 125.829 127.271 -1.442 18046
1384 1 3 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.882 0.528 18046
1385 1 3 . 1 1 34 34 LEU C C 34 174.819 174.819 174.771 0.048 18046
1386 1 3 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.400 -0.080 18046
1387 1 3 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.674 -0.094 18046
1388 1 3 . 1 1 34 34 LEU H H 34 9.847 9.847 8.324 1.523 18046
1389 1 3 . 1 1 35 35 ASP N N 35 126.739 126.739 128.423 -1.684 18046
1390 1 3 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.010 0.130 18046
1391 1 3 . 1 1 35 35 ASP C C 35 176.690 176.690 175.801 0.889 18046
1392 1 3 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.246 -0.646 18046
1393 1 3 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.011 1.189 18046
1394 1 3 . 1 1 35 35 ASP H H 35 9.740 9.740 8.634 1.106 18046
1395 1 3 . 1 1 36 36 THR N N 36 118.603 118.603 114.259 4.344 18046
1396 1 3 . 1 1 36 36 THR HA H 36 4.290 4.290 4.293 -0.003 18046
1397 1 3 . 1 1 36 36 THR C C 36 175.471 175.471 174.477 0.994 18046
1398 1 3 . 1 1 36 36 THR CA C 36 60.800 60.800 59.709 1.091 18046
1399 1 3 . 1 1 36 36 THR CB C 36 68.500 68.500 70.481 -1.981 18046
1400 1 3 . 1 1 36 36 THR H H 36 8.596 8.596 7.692 0.904 18046
1401 1 3 . 1 1 37 37 TRP N N 37 122.021 122.021 122.200 -0.179 18046
1402 1 3 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.363 -0.313 18046
1403 1 3 . 1 1 37 37 TRP C C 37 177.341 177.341 177.540 -0.199 18046
1404 1 3 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.014 2.786 18046
1405 1 3 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.394 -0.394 18046
1406 1 3 . 1 1 37 37 TRP H H 37 9.090 9.090 8.310 0.780 18046
1407 1 3 . 1 1 38 38 ASP N N 38 117.786 117.786 117.551 0.235 18046
1408 1 3 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.421 -0.031 18046
1409 1 3 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.070 -0.070 18046
1410 1 3 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.529 -0.229 18046
1411 1 3 . 1 1 38 38 ASP H H 38 8.676 8.676 8.264 0.412 18046
1412 1 3 . 1 1 39 39 GLN N N 39 110.693 110.693 114.477 -3.784 18046
1413 1 3 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.449 0.041 18046
1414 1 3 . 1 1 39 39 GLN C C 39 173.398 173.398 174.198 -0.800 18046
1415 1 3 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.185 -0.385 18046
1416 1 3 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.601 0.599 18046
1417 1 3 . 1 1 39 39 GLN H H 39 7.325 7.325 7.823 -0.498 18046
1418 1 3 . 1 1 40 40 ILE N N 40 120.287 120.287 122.661 -2.374 18046
1419 1 3 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.523 0.457 18046
1420 1 3 . 1 1 40 40 ILE C C 40 175.143 175.143 176.133 -0.990 18046
1421 1 3 . 1 1 40 40 ILE CA C 40 60.100 60.100 62.009 -1.909 18046
1422 1 3 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.592 1.108 18046
1423 1 3 . 1 1 40 40 ILE H H 40 8.663 8.663 8.528 0.135 18046
1424 1 3 . 1 1 41 41 PHE N N 41 124.653 124.653 127.901 -3.248 18046
1425 1 3 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.866 0.624 18046
1426 1 3 . 1 1 41 41 PHE C C 41 174.167 174.167 175.164 -0.997 18046
1427 1 3 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.118 0.282 18046
1428 1 3 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.023 2.177 18046
1429 1 3 . 1 1 41 41 PHE H H 41 9.555 9.555 9.390 0.165 18046
1430 1 3 . 1 1 42 42 PHE N N 42 128.681 128.681 125.426 3.255 18046
1431 1 3 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.941 0.639 18046
1432 1 3 . 1 1 42 42 PHE C C 42 172.940 172.940 174.926 -1.986 18046
1433 1 3 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.917 -1.217 18046
1434 1 3 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.959 2.041 18046
1435 1 3 . 1 1 42 42 PHE H H 42 9.647 9.647 8.402 1.245 18046
1436 1 3 . 1 1 43 43 TRP N N 43 128.634 128.634 126.589 2.045 18046
1437 1 3 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.838 0.442 18046
1438 1 3 . 1 1 43 43 TRP C C 43 175.877 175.877 174.607 1.270 18046
1439 1 3 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.653 1.347 18046
1440 1 3 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.120 2.080 18046
1441 1 3 . 1 1 43 43 TRP H H 43 9.997 9.997 8.762 1.235 18046
1442 1 3 . 1 1 44 44 ILE N N 44 126.166 126.166 126.331 -0.165 18046
1443 1 3 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.576 -0.426 18046
1444 1 3 . 1 1 44 44 ILE C C 44 175.190 175.190 175.528 -0.338 18046
1445 1 3 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.720 1.780 18046
1446 1 3 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.086 0.214 18046
1447 1 3 . 1 1 44 44 ILE H H 44 8.359 8.359 7.874 0.485 18046
1448 1 3 . 1 1 45 45 GLY N N 45 119.260 119.260 113.957 5.303 18046
1449 1 3 . 1 1 45 45 GLY C C 45 176.163 176.163 174.460 1.703 18046
1450 1 3 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.612 1.988 18046
1451 1 3 . 1 1 45 45 GLY H H 45 7.603 7.603 8.229 -0.626 18046
1452 1 3 . 1 1 46 46 LYS N N 46 124.868 124.868 119.441 5.427 18046
1453 1 3 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046
1454 1 3 . 1 1 46 46 LYS C C 46 177.700 177.700 177.449 0.251 18046
1455 1 3 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.587 1.613 18046
1456 1 3 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.320 -0.920 18046
1457 1 3 . 1 1 46 46 LYS H H 46 9.104 9.104 8.328 0.776 18046
1458 1 3 . 1 1 47 47 GLY N N 47 106.230 106.230 107.032 -0.802 18046
1459 1 3 . 1 1 47 47 GLY C C 47 175.326 175.326 174.134 1.192 18046
1460 1 3 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.146 -0.946 18046
1461 1 3 . 1 1 47 47 GLY H H 47 8.954 8.954 8.084 0.870 18046
1462 1 3 . 1 1 48 48 ALA N N 48 125.925 125.925 123.242 2.683 18046
1463 1 3 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.186 0.434 18046
1464 1 3 . 1 1 48 48 ALA C C 48 177.829 177.829 177.598 0.231 18046
1465 1 3 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.347 0.353 18046
1466 1 3 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.630 1.270 18046
1467 1 3 . 1 1 48 48 ALA H H 48 7.484 7.484 7.919 -0.435 18046
1468 1 3 . 1 1 49 49 ASN N N 49 119.683 119.683 123.353 -3.670 18046
1469 1 3 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.574 0.526 18046
1470 1 3 . 1 1 49 49 ASN C C 49 175.874 175.874 177.048 -1.174 18046
1471 1 3 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.565 -1.964 18046
1472 1 3 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.390 1.610 18046
1473 1 3 . 1 1 49 49 ASN H H 49 8.921 8.921 8.390 0.531 18046
1474 1 3 . 1 1 50 50 GLU N N 50 118.057 118.057 120.836 -2.779 18046
1475 1 3 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.121 -0.121 18046
1476 1 3 . 1 1 50 50 GLU C C 50 178.722 178.722 178.285 0.437 18046
1477 1 3 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.730 -0.130 18046
1478 1 3 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.627 -0.027 18046
1479 1 3 . 1 1 50 50 GLU H H 50 8.828 8.828 8.982 -0.154 18046
1480 1 3 . 1 1 51 51 SER N N 51 115.397 115.397 114.828 0.569 18046
1481 1 3 . 1 1 51 51 SER HA H 51 4.350 4.350 4.223 0.127 18046
1482 1 3 . 1 1 51 51 SER C C 51 177.932 177.932 176.371 1.561 18046
1483 1 3 . 1 1 51 51 SER CA C 51 61.800 61.800 61.410 0.390 18046
1484 1 3 . 1 1 51 51 SER CB C 51 62.700 62.700 62.893 -0.193 18046
1485 1 3 . 1 1 51 51 SER H H 51 8.401 8.401 8.410 -0.009 18046
1486 1 3 . 1 1 52 52 GLU N N 52 122.271 122.271 122.128 0.143 18046
1487 1 3 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.097 0.003 18046
1488 1 3 . 1 1 52 52 GLU C C 52 177.665 177.665 178.496 -0.831 18046
1489 1 3 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.840 -0.640 18046
1490 1 3 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.923 -0.523 18046
1491 1 3 . 1 1 52 52 GLU H H 52 8.566 8.566 8.374 0.192 18046
1492 1 3 . 1 1 53 53 LYS N N 53 119.319 119.319 118.346 0.973 18046
1493 1 3 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.954 0.086 18046
1494 1 3 . 1 1 53 53 LYS C C 53 178.727 178.727 178.425 0.302 18046
1495 1 3 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.178 1.722 18046
1496 1 3 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.189 0.411 18046
1497 1 3 . 1 1 53 53 LYS H H 53 7.704 7.704 7.536 0.168 18046
1498 1 3 . 1 1 54 54 GLU N N 54 119.268 119.268 118.839 0.429 18046
1499 1 3 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.133 -0.073 18046
1500 1 3 . 1 1 54 54 GLU C C 54 179.211 179.211 178.332 0.879 18046
1501 1 3 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.004 0.496 18046
1502 1 3 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.742 0.158 18046
1503 1 3 . 1 1 54 54 GLU H H 54 8.173 8.173 7.328 0.845 18046
1504 1 3 . 1 1 55 55 ALA N N 55 121.311 121.311 121.934 -0.623 18046
1505 1 3 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.831 0.119 18046
1506 1 3 . 1 1 55 55 ALA C C 55 180.920 180.920 179.372 1.548 18046
1507 1 3 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.704 -0.204 18046
1508 1 3 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.175 -1.375 18046
1509 1 3 . 1 1 55 55 ALA H H 55 7.954 7.954 8.342 -0.388 18046
1510 1 3 . 1 1 56 56 ALA N N 56 123.395 123.395 119.500 3.895 18046
1511 1 3 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.152 -0.132 18046
1512 1 3 . 1 1 56 56 ALA C C 56 178.383 178.383 178.979 -0.596 18046
1513 1 3 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.582 0.818 18046
1514 1 3 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.300 1.300 18046
1515 1 3 . 1 1 56 56 ALA H H 56 8.393 8.393 8.134 0.259 18046
1516 1 3 . 1 1 57 57 ALA N N 57 120.754 120.754 120.918 -0.164 18046
1517 1 3 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.070 -0.150 18046
1518 1 3 . 1 1 57 57 ALA C C 57 180.433 180.433 179.984 0.449 18046
1519 1 3 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.845 0.855 18046
1520 1 3 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.387 -0.687 18046
1521 1 3 . 1 1 57 57 ALA H H 57 7.690 7.690 7.391 0.299 18046
1522 1 3 . 1 1 58 58 GLU N N 58 118.337 118.337 118.528 -0.191 18046
1523 1 3 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.126 -0.026 18046
1524 1 3 . 1 1 58 58 GLU C C 58 179.210 179.210 179.082 0.128 18046
1525 1 3 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.272 -0.072 18046
1526 1 3 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.794 -0.495 18046
1527 1 3 . 1 1 58 58 GLU H H 58 7.423 7.423 7.822 -0.399 18046
1528 1 3 . 1 1 59 59 THR N N 59 118.744 118.744 115.587 3.157 18046
1529 1 3 . 1 1 59 59 THR HA H 59 3.860 3.860 4.012 -0.152 18046
1530 1 3 . 1 1 59 59 THR C C 59 175.722 175.722 176.001 -0.279 18046
1531 1 3 . 1 1 59 59 THR CA C 59 67.420 67.420 65.895 1.525 18046
1532 1 3 . 1 1 59 59 THR CB C 59 68.590 68.590 68.345 0.245 18046
1533 1 3 . 1 1 59 59 THR H H 59 8.354 8.354 8.425 -0.071 18046
1534 1 3 . 1 1 60 60 ALA N N 60 122.991 122.991 122.919 0.072 18046
1535 1 3 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.685 0.045 18046
1536 1 3 . 1 1 60 60 ALA C C 60 178.155 178.155 179.186 -1.031 18046
1537 1 3 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.008 0.692 18046
1538 1 3 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.074 -0.274 18046
1539 1 3 . 1 1 60 60 ALA H H 60 8.294 8.294 7.396 0.898 18046
1540 1 3 . 1 1 61 61 GLN N N 61 113.649 113.649 117.375 -3.726 18046
1541 1 3 . 1 1 61 61 GLN HA H 61 3.990 3.990 4.017 -0.027 18046
1542 1 3 . 1 1 61 61 GLN C C 61 178.640 178.640 178.392 0.248 18046
1543 1 3 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.483 -0.563 18046
1544 1 3 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.025 0.435 18046
1545 1 3 . 1 1 61 61 GLN H H 61 7.215 7.215 8.055 -0.840 18046
1546 1 3 . 1 1 62 62 GLU N N 62 120.684 120.684 118.150 2.534 18046
1547 1 3 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.037 0.003 18046
1548 1 3 . 1 1 62 62 GLU C C 62 179.047 179.047 178.305 0.742 18046
1549 1 3 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.246 -0.046 18046
1550 1 3 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.211 0.089 18046
1551 1 3 . 1 1 62 62 GLU H H 62 8.126 8.126 7.780 0.346 18046
1552 1 3 . 1 1 63 63 TYR N N 63 122.118 122.118 119.542 2.576 18046
1553 1 3 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.241 -0.011 18046
1554 1 3 . 1 1 63 63 TYR C C 63 178.643 178.643 177.729 0.914 18046
1555 1 3 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.755 -0.655 18046
1556 1 3 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.940 -1.140 18046
1557 1 3 . 1 1 63 63 TYR H H 63 8.796 8.796 7.668 1.128 18046
1558 1 3 . 1 1 64 64 LEU N N 64 119.163 119.163 120.271 -1.108 18046
1559 1 3 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.032 -0.352 18046
1560 1 3 . 1 1 64 64 LEU C C 64 178.475 178.475 179.433 -0.958 18046
1561 1 3 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.009 -0.009 18046
1562 1 3 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.630 1.870 18046
1563 1 3 . 1 1 64 64 LEU H H 64 7.799 7.799 7.806 -0.007 18046
1564 1 3 . 1 1 65 65 ARG N N 65 116.868 116.868 116.245 0.623 18046
1565 1 3 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.009 0.061 18046
1566 1 3 . 1 1 65 65 ARG C C 65 177.464 177.464 177.396 0.068 18046
1567 1 3 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.302 0.298 18046
1568 1 3 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.686 1.114 18046
1569 1 3 . 1 1 65 65 ARG H H 65 7.842 7.842 7.582 0.260 18046
1570 1 3 . 1 1 66 66 SER N N 66 112.527 112.527 112.598 -0.071 18046
1571 1 3 . 1 1 66 66 SER HA H 66 4.360 4.360 4.215 0.145 18046
1572 1 3 . 1 1 66 66 SER C C 66 174.087 174.087 175.000 -0.913 18046
1573 1 3 . 1 1 66 66 SER CA C 66 59.440 59.440 59.460 -0.020 18046
1574 1 3 . 1 1 66 66 SER CB C 66 64.120 64.120 64.029 0.091 18046
1575 1 3 . 1 1 66 66 SER H H 66 7.907 7.907 7.740 0.167 18046
1576 1 3 . 1 1 67 67 HIS N N 67 123.090 123.090 122.821 0.269 18046
1577 1 3 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.513 0.147 18046
1578 1 3 . 1 1 67 67 HIS CA C 67 55.400 55.400 55.130 0.270 18046
1579 1 3 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.192 -0.592 18046
1580 1 3 . 1 1 67 67 HIS H H 67 7.515 7.515 7.571 -0.056 18046
1581 1 3 . 1 1 68 68 PRO C C 68 176.365 176.365 176.812 -0.447 18046
1582 1 3 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.322 6.038 18046
1583 1 3 . 1 1 69 69 GLY N N 69 124.202 124.202 106.923 17.279 18046
1584 1 3 . 1 1 69 69 GLY C C 69 174.331 174.331 174.100 0.231 18046
1585 1 3 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.617 1.083 18046
1586 1 3 . 1 1 69 69 GLY H H 69 8.166 8.166 8.366 -0.200 18046
1587 1 3 . 1 1 70 70 SER N N 70 115.467 115.467 116.725 -1.258 18046
1588 1 3 . 1 1 70 70 SER HA H 70 4.450 4.450 4.508 -0.058 18046
1589 1 3 . 1 1 70 70 SER C C 70 174.329 174.329 175.906 -1.577 18046
1590 1 3 . 1 1 70 70 SER CA C 70 58.640 58.640 59.217 -0.577 18046
1591 1 3 . 1 1 70 70 SER CB C 70 63.040 63.040 63.866 -0.826 18046
1592 1 3 . 1 1 70 70 SER H H 70 8.280 8.280 8.601 -0.321 18046
1593 1 3 . 1 1 71 71 ARG N N 71 120.585 120.585 121.165 -0.580 18046
1594 1 3 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.630 -0.400 18046
1595 1 3 . 1 1 71 71 ARG C C 71 175.793 175.793 176.718 -0.925 18046
1596 1 3 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.598 -0.498 18046
1597 1 3 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.291 1.109 18046
1598 1 3 . 1 1 71 71 ARG H H 71 8.341 8.341 8.347 -0.006 18046
1599 1 3 . 1 1 72 72 ASP N N 72 120.258 120.258 120.253 0.005 18046
1600 1 3 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.450 -0.010 18046
1601 1 3 . 1 1 72 72 ASP C C 72 178.038 178.038 177.650 0.388 18046
1602 1 3 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.258 -2.728 18046
1603 1 3 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.441 0.329 18046
1604 1 3 . 1 1 72 72 ASP H H 72 8.471 8.471 8.626 -0.155 18046
1605 1 3 . 1 1 73 73 LEU N N 73 127.518 127.518 117.682 9.836 18046
1606 1 3 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.112 -0.022 18046
1607 1 3 . 1 1 73 73 LEU C C 73 177.417 177.417 177.886 -0.469 18046
1608 1 3 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.052 -0.052 18046
1609 1 3 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.069 -1.069 18046
1610 1 3 . 1 1 73 73 LEU H H 73 8.826 8.826 7.948 0.878 18046
1611 1 3 . 1 1 74 74 ASP N N 74 117.787 117.787 116.298 1.489 18046
1612 1 3 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.473 0.267 18046
1613 1 3 . 1 1 74 74 ASP C C 74 175.765 175.765 176.601 -0.836 18046
1614 1 3 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.989 -2.089 18046
1615 1 3 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.785 -0.314 18046
1616 1 3 . 1 1 74 74 ASP H H 74 8.480 8.480 7.893 0.587 18046
1617 1 3 . 1 1 75 75 THR N N 75 119.682 119.682 117.390 2.292 18046
1618 1 3 . 1 1 75 75 THR HA H 75 4.210 4.210 4.240 -0.030 18046
1619 1 3 . 1 1 75 75 THR CA C 75 62.440 62.440 61.753 0.687 18046
1620 1 3 . 1 1 75 75 THR CB C 75 70.940 70.940 68.986 1.954 18046
1621 1 3 . 1 1 75 75 THR H H 75 7.303 7.303 7.425 -0.122 18046
1622 1 3 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.381 -0.141 18046
1623 1 3 . 1 1 76 76 PRO C C 76 174.823 174.823 175.767 -0.944 18046
1624 1 3 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.538 1.062 18046
1625 1 3 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.289 0.811 18046
1626 1 3 . 1 1 77 77 ILE N N 77 121.906 121.906 119.471 2.435 18046
1627 1 3 . 1 1 77 77 ILE HA H 77 4.990 4.990 4.002 0.988 18046
1628 1 3 . 1 1 77 77 ILE C C 77 176.571 176.571 176.379 0.192 18046
1629 1 3 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.301 -0.801 18046
1630 1 3 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.904 -1.804 18046
1631 1 3 . 1 1 77 77 ILE H H 77 8.052 8.052 7.893 0.159 18046
1632 1 3 . 1 1 78 78 ILE N N 78 130.054 130.054 127.653 2.401 18046
1633 1 3 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.036 0.264 18046
1634 1 3 . 1 1 78 78 ILE C C 78 175.471 175.471 175.279 0.192 18046
1635 1 3 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.871 -1.071 18046
1636 1 3 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.064 2.236 18046
1637 1 3 . 1 1 78 78 ILE H H 78 8.977 8.977 8.400 0.577 18046
1638 1 3 . 1 1 79 79 VAL N N 79 130.072 130.072 127.662 2.410 18046
1639 1 3 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.992 0.698 18046
1640 1 3 . 1 1 79 79 VAL C C 79 176.024 176.024 175.900 0.124 18046
1641 1 3 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.356 0.544 18046
1642 1 3 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.919 -0.219 18046
1643 1 3 . 1 1 79 79 VAL H H 79 8.872 8.872 8.041 0.831 18046
1644 1 3 . 1 1 80 80 VAL N N 80 129.055 129.055 126.412 2.643 18046
1645 1 3 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.288 0.132 18046
1646 1 3 . 1 1 80 80 VAL C C 80 173.028 173.028 174.585 -1.557 18046
1647 1 3 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.729 -0.729 18046
1648 1 3 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.054 1.346 18046
1649 1 3 . 1 1 80 80 VAL H H 80 9.608 9.608 8.238 1.370 18046
1650 1 3 . 1 1 81 81 LYS N N 81 123.854 123.854 123.452 0.402 18046
1651 1 3 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.730 -0.560 18046
1652 1 3 . 1 1 81 81 LYS C C 81 175.225 175.225 175.981 -0.756 18046
1653 1 3 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.779 0.320 18046
1654 1 3 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.836 -0.636 18046
1655 1 3 . 1 1 81 81 LYS H H 81 8.441 8.441 8.333 0.108 18046
1656 1 3 . 1 1 82 82 GLN N N 82 121.237 121.237 120.757 0.480 18046
1657 1 3 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.105 -0.145 18046
1658 1 3 . 1 1 82 82 GLN C C 82 177.016 177.016 176.543 0.473 18046
1659 1 3 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.756 -0.256 18046
1660 1 3 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.835 0.265 18046
1661 1 3 . 1 1 82 82 GLN H H 82 6.493 6.493 8.626 -2.133 18046
1662 1 3 . 1 1 83 83 GLY N N 83 118.629 118.629 113.916 4.713 18046
1663 1 3 . 1 1 83 83 GLY C C 83 174.491 174.491 172.957 1.534 18046
1664 1 3 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.354 1.046 18046
1665 1 3 . 1 1 83 83 GLY H H 83 10.072 10.072 8.426 1.646 18046
1666 1 3 . 1 1 84 84 PHE N N 84 120.834 120.834 120.093 0.741 18046
1667 1 3 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046
1668 1 3 . 1 1 84 84 PHE C C 84 177.056 177.056 174.351 2.705 18046
1669 1 3 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.240 -0.740 18046
1670 1 3 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.870 -2.170 18046
1671 1 3 . 1 1 84 84 PHE H H 84 8.431 8.431 7.276 1.155 18046
1672 1 3 . 1 1 85 85 GLU N N 85 125.174 125.174 125.306 -0.132 18046
1673 1 3 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.773 -0.663 18046
1674 1 3 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.627 4.253 18046
1675 1 3 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.050 -2.881 18046
1676 1 3 . 1 1 85 85 GLU H H 85 10.207 10.207 8.516 1.691 18046
1677 1 3 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.443 0.307 18046
1678 1 3 . 1 1 87 87 PRO C C 87 178.401 178.401 178.201 0.200 18046
1679 1 3 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.538 -0.038 18046
1680 1 3 . 1 1 87 87 PRO CB C 87 31.400 31.400 32.102 -0.702 18046
1681 1 3 . 1 1 88 88 THR N N 88 107.088 107.088 112.278 -5.190 18046
1682 1 3 . 1 1 88 88 THR HA H 88 4.080 4.080 4.023 0.057 18046
1683 1 3 . 1 1 88 88 THR C C 88 174.325 174.325 175.690 -1.365 18046
1684 1 3 . 1 1 88 88 THR CA C 88 63.200 63.200 64.912 -1.712 18046
1685 1 3 . 1 1 88 88 THR CB C 88 68.300 68.300 68.165 0.135 18046
1686 1 3 . 1 1 88 88 THR H H 88 7.316 7.316 8.119 -0.803 18046
1687 1 3 . 1 1 89 89 PHE N N 89 119.031 119.031 122.324 -3.293 18046
1688 1 3 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.974 -0.054 18046
1689 1 3 . 1 1 89 89 PHE C C 89 175.661 175.661 177.347 -1.686 18046
1690 1 3 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.943 -0.943 18046
1691 1 3 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.899 2.161 18046
1692 1 3 . 1 1 89 89 PHE H H 89 7.437 7.437 7.920 -0.483 18046
1693 1 3 . 1 1 90 90 THR N N 90 107.216 107.216 116.407 -9.191 18046
1694 1 3 . 1 1 90 90 THR HA H 90 3.210 3.210 3.313 -0.103 18046
1695 1 3 . 1 1 90 90 THR C C 90 177.340 177.340 176.682 0.658 18046
1696 1 3 . 1 1 90 90 THR CA C 90 65.000 65.000 67.458 -2.458 18046
1697 1 3 . 1 1 90 90 THR CB C 90 68.200 68.200 67.819 0.381 18046
1698 1 3 . 1 1 90 90 THR H H 90 7.675 7.675 7.964 -0.289 18046
1699 1 3 . 1 1 91 91 GLY N N 91 106.674 106.674 109.108 -2.434 18046
1700 1 3 . 1 1 91 91 GLY C C 91 174.591 174.591 174.763 -0.172 18046
1701 1 3 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.723 0.577 18046
1702 1 3 . 1 1 91 91 GLY H H 91 7.865 7.865 7.391 0.474 18046
1703 1 3 . 1 1 92 92 TRP N N 92 117.951 117.951 119.002 -1.051 18046
1704 1 3 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.314 0.176 18046
1705 1 3 . 1 1 92 92 TRP C C 92 174.042 174.042 175.793 -1.751 18046
1706 1 3 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.030 0.440 18046
1707 1 3 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.161 0.469 18046
1708 1 3 . 1 1 92 92 TRP H H 92 7.018 7.018 7.241 -0.223 18046
1709 1 3 . 1 1 93 93 PHE N N 93 118.863 118.863 116.600 2.263 18046
1710 1 3 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.401 0.209 18046
1711 1 3 . 1 1 93 93 PHE C C 93 175.872 175.872 176.714 -0.842 18046
1712 1 3 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.631 0.269 18046
1713 1 3 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.475 0.325 18046
1714 1 3 . 1 1 93 93 PHE H H 93 7.956 7.956 7.811 0.145 18046
1715 1 3 . 1 1 94 94 MET N N 94 121.781 121.781 118.821 2.960 18046
1716 1 3 . 1 1 94 94 MET HA H 94 4.200 4.200 4.272 -0.072 18046
1717 1 3 . 1 1 94 94 MET C C 94 175.794 175.794 176.423 -0.629 18046
1718 1 3 . 1 1 94 94 MET CA C 94 57.900 57.900 55.619 2.281 18046
1719 1 3 . 1 1 94 94 MET CB C 94 32.300 32.300 31.975 0.325 18046
1720 1 3 . 1 1 94 94 MET H H 94 8.825 8.825 8.567 0.258 18046
1721 1 3 . 1 1 95 95 ALA N N 95 120.648 120.648 122.528 -1.880 18046
1722 1 3 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.394 0.046 18046
1723 1 3 . 1 1 95 95 ALA C C 95 175.600 175.600 176.645 -1.045 18046
1724 1 3 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.103 0.696 18046
1725 1 3 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.692 2.108 18046
1726 1 3 . 1 1 95 95 ALA H H 95 8.037 8.037 7.626 0.411 18046
1727 1 3 . 1 1 96 96 TRP N N 96 121.009 121.009 123.750 -2.741 18046
1728 1 3 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.389 -0.179 18046
1729 1 3 . 1 1 96 96 TRP C C 96 174.409 174.409 176.094 -1.685 18046
1730 1 3 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.686 0.114 18046
1731 1 3 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.963 0.537 18046
1732 1 3 . 1 1 96 96 TRP H H 96 8.481 8.481 8.404 0.077 18046
1733 1 3 . 1 1 97 97 ASP N N 97 128.963 128.963 121.197 7.766 18046
1734 1 3 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.130 -0.040 18046
1735 1 3 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.906 -1.346 18046
1736 1 3 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.849 -0.319 18046
1737 1 3 . 1 1 97 97 ASP H H 97 8.850 8.850 8.894 -0.044 18046
1738 1 3 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.456 0.054 18046
1739 1 3 . 1 1 98 98 PRO C C 98 177.169 177.169 177.141 0.028 18046
1740 1 3 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.147 0.053 18046
1741 1 3 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.963 0.607 18046
1742 1 3 . 1 1 99 99 LEU N N 99 118.381 118.381 119.174 -0.793 18046
1743 1 3 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.513 0.017 18046
1744 1 3 . 1 1 99 99 LEU C C 99 177.338 177.338 177.951 -0.613 18046
1745 1 3 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.782 -0.232 18046
1746 1 3 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.505 0.244 18046
1747 1 3 . 1 1 99 99 LEU H H 99 8.372 8.372 7.745 0.627 18046
1748 1 3 . 1 1 100 100 CYS N N 100 119.396 119.396 119.016 0.380 18046
1749 1 3 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.254 -0.644 18046
1750 1 3 . 1 1 100 100 CYS C C 100 174.820 174.820 175.879 -1.059 18046
1751 1 3 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.623 -1.123 18046
1752 1 3 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.886 0.414 18046
1753 1 3 . 1 1 100 100 CYS H H 100 7.052 7.052 7.964 -0.912 18046
1754 1 3 . 1 1 101 101 TRP N N 101 115.737 115.737 121.205 -5.468 18046
1755 1 3 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.616 0.164 18046
1756 1 3 . 1 1 101 101 TRP C C 101 176.485 176.485 176.068 0.417 18046
1757 1 3 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.230 1.670 18046
1758 1 3 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.198 -1.098 18046
1759 1 3 . 1 1 101 101 TRP H H 101 7.625 7.625 7.987 -0.362 18046
1760 1 3 . 1 1 102 102 SER N N 102 115.896 115.896 115.566 0.330 18046
1761 1 3 . 1 1 102 102 SER HA H 102 4.520 4.520 4.257 0.263 18046
1762 1 3 . 1 1 102 102 SER C C 102 174.333 174.333 175.161 -0.828 18046
1763 1 3 . 1 1 102 102 SER CA C 102 59.200 59.200 60.870 -1.670 18046
1764 1 3 . 1 1 102 102 SER CB C 102 64.100 64.100 63.022 1.079 18046
1765 1 3 . 1 1 102 102 SER H H 102 7.916 7.916 7.822 0.094 18046
1766 1 3 . 1 1 103 103 ASP N N 103 122.262 122.262 120.310 1.952 18046
1767 1 3 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.721 -0.061 18046
1768 1 3 . 1 1 103 103 ASP C C 103 176.129 176.129 177.758 -1.629 18046
1769 1 3 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.531 -0.831 18046
1770 1 3 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.802 -0.802 18046
1771 1 3 . 1 1 103 103 ASP H H 103 8.450 8.450 7.851 0.599 18046
1772 1 3 . 1 1 104 104 ARG N N 104 120.795 120.795 119.383 1.412 18046
1773 1 3 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.987 0.343 18046
1774 1 3 . 1 1 104 104 ARG C C 104 176.283 176.283 177.988 -1.705 18046
1775 1 3 . 1 1 104 104 ARG CA C 104 56.200 56.200 57.958 -1.758 18046
1776 1 3 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.565 1.185 18046
1777 1 3 . 1 1 104 104 ARG H H 104 8.117 8.117 8.133 -0.016 18046
1778 1 3 . 1 1 105 105 LYS N N 105 122.131 122.131 117.734 4.397 18046
1779 1 3 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.230 0.115 18046
1780 1 3 . 1 1 105 105 LYS C C 105 176.284 176.284 176.608 -0.324 18046
1781 1 3 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.429 -1.129 18046
1782 1 3 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.805 0.295 18046
1783 1 3 . 1 1 105 105 LYS H H 105 8.294 8.294 7.672 0.622 18046
1784 1 3 . 1 1 106 106 SER N N 106 116.993 116.993 113.335 3.658 18046
1785 1 3 . 1 1 106 106 SER HA H 106 4.470 4.470 4.763 -0.293 18046
1786 1 3 . 1 1 106 106 SER CA C 106 58.300 58.300 56.763 1.537 18046
1787 1 3 . 1 1 106 106 SER CB C 106 64.200 64.200 64.436 -0.236 18046
1788 1 3 . 1 1 106 106 SER H H 106 8.235 8.235 7.724 0.511 18046
1789 1 4 . 1 1 2 2 ARG N N 2 117.203 117.203 120.030 -2.827 18046
1790 1 4 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.443 0.607 18046
1791 1 4 . 1 1 2 2 ARG C C 2 172.726 172.726 174.750 -2.024 18046
1792 1 4 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.538 0.662 18046
1793 1 4 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.454 -2.554 18046
1794 1 4 . 1 1 2 2 ARG H H 2 8.108 8.108 8.116 -0.008 18046
1795 1 4 . 1 1 3 3 LEU N N 3 125.261 125.261 120.468 4.793 18046
1796 1 4 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.938 0.282 18046
1797 1 4 . 1 1 3 3 LEU C C 3 174.166 174.166 175.724 -1.558 18046
1798 1 4 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.497 -0.497 18046
1799 1 4 . 1 1 3 3 LEU CB C 3 45.400 45.400 44.584 0.816 18046
1800 1 4 . 1 1 3 3 LEU H H 3 8.542 8.542 8.124 0.418 18046
1801 1 4 . 1 1 4 4 PHE N N 4 123.490 123.490 116.324 7.166 18046
1802 1 4 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.764 0.336 18046
1803 1 4 . 1 1 4 4 PHE C C 4 174.820 174.820 174.634 0.186 18046
1804 1 4 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.419 -1.129 18046
1805 1 4 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.719 0.630 18046
1806 1 4 . 1 1 4 4 PHE H H 4 9.591 9.591 8.666 0.925 18046
1807 1 4 . 1 1 5 5 GLU N N 5 125.718 125.718 124.740 0.978 18046
1808 1 4 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.919 -0.899 18046
1809 1 4 . 1 1 5 5 GLU C C 5 174.892 174.892 176.104 -1.212 18046
1810 1 4 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.257 -0.157 18046
1811 1 4 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.520 2.330 18046
1812 1 4 . 1 1 5 5 GLU H H 5 9.484 9.484 8.318 1.166 18046
1813 1 4 . 1 1 6 6 CYS N N 6 127.915 127.915 126.347 1.568 18046
1814 1 4 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.079 -0.059 18046
1815 1 4 . 1 1 6 6 CYS C C 6 172.378 172.378 173.773 -1.395 18046
1816 1 4 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.691 0.309 18046
1817 1 4 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.552 -0.252 18046
1818 1 4 . 1 1 6 6 CYS H H 6 8.937 8.937 8.281 0.656 18046
1819 1 4 . 1 1 7 7 SER N N 7 113.574 113.574 117.748 -4.174 18046
1820 1 4 . 1 1 7 7 SER HA H 7 5.420 5.420 4.888 0.532 18046
1821 1 4 . 1 1 7 7 SER C C 7 175.632 175.632 172.983 2.649 18046
1822 1 4 . 1 1 7 7 SER CA C 7 55.400 55.400 56.550 -1.150 18046
1823 1 4 . 1 1 7 7 SER CB C 7 65.900 65.900 65.666 0.234 18046
1824 1 4 . 1 1 7 7 SER H H 7 7.873 7.873 8.171 -0.298 18046
1825 1 4 . 1 1 8 8 ASN N N 8 126.153 126.153 121.933 4.220 18046
1826 1 4 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.113 0.527 18046
1827 1 4 . 1 1 8 8 ASN C C 8 178.392 178.392 175.775 2.617 18046
1828 1 4 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.672 -1.172 18046
1829 1 4 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.014 -0.915 18046
1830 1 4 . 1 1 8 8 ASN H H 8 10.299 10.299 9.044 1.255 18046
1831 1 4 . 1 1 9 9 LYS N N 9 123.420 123.420 123.475 -0.055 18046
1832 1 4 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.169 0.061 18046
1833 1 4 . 1 1 9 9 LYS C C 9 177.891 177.891 177.271 0.620 18046
1834 1 4 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.119 0.681 18046
1835 1 4 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.850 -0.950 18046
1836 1 4 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046
1837 1 4 . 1 1 10 10 THR N N 10 110.292 110.292 108.546 1.746 18046
1838 1 4 . 1 1 10 10 THR HA H 10 4.480 4.480 4.474 0.006 18046
1839 1 4 . 1 1 10 10 THR C C 10 175.392 175.392 175.851 -0.459 18046
1840 1 4 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046
1841 1 4 . 1 1 10 10 THR CB C 10 70.100 70.100 70.001 0.099 18046
1842 1 4 . 1 1 10 10 THR H H 10 8.525 8.525 7.898 0.627 18046
1843 1 4 . 1 1 11 11 GLY N N 11 110.668 110.668 110.173 0.495 18046
1844 1 4 . 1 1 11 11 GLY C C 11 172.867 172.867 173.658 -0.791 18046
1845 1 4 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.109 -0.409 18046
1846 1 4 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046
1847 1 4 . 1 1 12 12 ARG N N 12 118.170 118.170 120.258 -2.088 18046
1848 1 4 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046
1849 1 4 . 1 1 12 12 ARG C C 12 173.924 173.924 174.584 -0.660 18046
1850 1 4 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.731 -0.831 18046
1851 1 4 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.958 -0.158 18046
1852 1 4 . 1 1 12 12 ARG H H 12 7.538 7.538 7.830 -0.292 18046
1853 1 4 . 1 1 13 13 PHE N N 13 121.956 121.956 123.226 -1.270 18046
1854 1 4 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.454 0.080 18046
1855 1 4 . 1 1 13 13 PHE C C 13 174.005 174.005 173.969 0.036 18046
1856 1 4 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.945 1.555 18046
1857 1 4 . 1 1 13 13 PHE CB C 13 39.000 39.000 40.244 -1.244 18046
1858 1 4 . 1 1 13 13 PHE H H 13 8.926 8.926 8.648 0.278 18046
1859 1 4 . 1 1 14 14 LEU N N 14 129.824 129.824 127.090 2.734 18046
1860 1 4 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.231 0.079 18046
1861 1 4 . 1 1 14 14 LEU C C 14 173.801 173.801 174.129 -0.328 18046
1862 1 4 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.889 1.311 18046
1863 1 4 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.073 1.527 18046
1864 1 4 . 1 1 14 14 LEU H H 14 8.114 8.114 7.315 0.799 18046
1865 1 4 . 1 1 15 15 ALA N N 15 125.201 125.201 125.379 -0.178 18046
1866 1 4 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.384 1.146 18046
1867 1 4 . 1 1 15 15 ALA C C 15 177.178 177.178 176.518 0.660 18046
1868 1 4 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.358 -1.558 18046
1869 1 4 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.270 0.530 18046
1870 1 4 . 1 1 15 15 ALA H H 15 8.234 8.234 8.173 0.061 18046
1871 1 4 . 1 1 16 16 THR N N 16 119.393 119.393 118.580 0.813 18046
1872 1 4 . 1 1 16 16 THR HA H 16 4.654 4.654 4.493 0.161 18046
1873 1 4 . 1 1 16 16 THR C C 16 173.434 173.434 172.622 0.812 18046
1874 1 4 . 1 1 16 16 THR CA C 16 61.261 61.261 60.907 0.354 18046
1875 1 4 . 1 1 16 16 THR CB C 16 71.500 71.500 71.598 -0.098 18046
1876 1 4 . 1 1 16 16 THR H H 16 9.149 9.149 7.964 1.185 18046
1877 1 4 . 1 1 17 17 GLU N N 17 128.928 128.928 122.961 5.967 18046
1878 1 4 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.417 -0.027 18046
1879 1 4 . 1 1 17 17 GLU C C 17 175.799 175.799 174.944 0.855 18046
1880 1 4 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.602 2.198 18046
1881 1 4 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.666 -2.267 18046
1882 1 4 . 1 1 17 17 GLU H H 17 9.269 9.269 8.503 0.766 18046
1883 1 4 . 1 1 18 18 ILE N N 18 129.185 129.185 125.966 3.219 18046
1884 1 4 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.042 0.348 18046
1885 1 4 . 1 1 18 18 ILE C C 18 176.202 176.202 174.619 1.583 18046
1886 1 4 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.476 1.224 18046
1887 1 4 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.775 -1.675 18046
1888 1 4 . 1 1 18 18 ILE H H 18 8.814 8.814 8.242 0.572 18046
1889 1 4 . 1 1 19 19 VAL N N 19 127.068 127.068 125.191 1.877 18046
1890 1 4 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.704 0.576 18046
1891 1 4 . 1 1 19 19 VAL C C 19 175.632 175.632 176.344 -0.712 18046
1892 1 4 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.720 -1.120 18046
1893 1 4 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.033 0.467 18046
1894 1 4 . 1 1 19 19 VAL H H 19 8.600 8.600 8.055 0.545 18046
1895 1 4 . 1 1 20 20 ASP N N 20 122.793 122.793 123.297 -0.504 18046
1896 1 4 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.129 0.161 18046
1897 1 4 . 1 1 20 20 ASP C C 20 175.742 175.742 175.205 0.537 18046
1898 1 4 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.471 -0.371 18046
1899 1 4 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.045 -1.046 18046
1900 1 4 . 1 1 20 20 ASP H H 20 9.037 9.037 8.414 0.623 18046
1901 1 4 . 1 1 21 21 PHE N N 21 113.443 113.443 123.453 -10.010 18046
1902 1 4 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.705 0.105 18046
1903 1 4 . 1 1 21 21 PHE C C 21 175.062 175.062 175.388 -0.326 18046
1904 1 4 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.314 0.886 18046
1905 1 4 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.197 -0.297 18046
1906 1 4 . 1 1 21 21 PHE H H 21 6.542 6.542 7.622 -1.080 18046
1907 1 4 . 1 1 22 22 THR N N 22 112.200 112.200 112.503 -0.303 18046
1908 1 4 . 1 1 22 22 THR HA H 22 4.900 4.900 4.866 0.034 18046
1909 1 4 . 1 1 22 22 THR C C 22 175.307 175.307 175.673 -0.366 18046
1910 1 4 . 1 1 22 22 THR CA C 22 60.400 60.400 60.559 -0.159 18046
1911 1 4 . 1 1 22 22 THR CB C 22 73.300 73.300 71.093 2.207 18046
1912 1 4 . 1 1 22 22 THR H H 22 9.640 9.640 8.212 1.428 18046
1913 1 4 . 1 1 23 23 GLN N N 23 122.406 122.406 118.719 3.687 18046
1914 1 4 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.112 -0.432 18046
1915 1 4 . 1 1 23 23 GLN C C 23 176.527 176.527 177.310 -0.783 18046
1916 1 4 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.292 0.708 18046
1917 1 4 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.433 -0.833 18046
1918 1 4 . 1 1 23 23 GLN H H 23 9.766 9.766 8.702 1.064 18046
1919 1 4 . 1 1 24 24 ASP N N 24 114.153 114.153 120.360 -6.207 18046
1920 1 4 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.466 -0.366 18046
1921 1 4 . 1 1 24 24 ASP C C 24 176.528 176.528 177.451 -0.923 18046
1922 1 4 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.635 -0.735 18046
1923 1 4 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.556 0.203 18046
1924 1 4 . 1 1 24 24 ASP H H 24 7.760 7.760 7.806 -0.046 18046
1925 1 4 . 1 1 25 25 ASP N N 25 116.379 116.379 116.776 -0.397 18046
1926 1 4 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.705 -0.165 18046
1927 1 4 . 1 1 25 25 ASP C C 25 175.059 175.059 176.190 -1.131 18046
1928 1 4 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.229 0.971 18046
1929 1 4 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.559 0.942 18046
1930 1 4 . 1 1 25 25 ASP H H 25 7.655 7.655 8.013 -0.358 18046
1931 1 4 . 1 1 26 26 LEU N N 26 118.095 118.095 122.477 -4.382 18046
1932 1 4 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.170 -0.890 18046
1933 1 4 . 1 1 26 26 LEU C C 26 174.177 174.177 176.460 -2.283 18046
1934 1 4 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.391 -1.491 18046
1935 1 4 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.745 -1.445 18046
1936 1 4 . 1 1 26 26 LEU H H 26 7.309 7.309 7.218 0.091 18046
1937 1 4 . 1 1 27 27 ASP N N 27 127.757 127.757 126.541 1.216 18046
1938 1 4 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.596 0.204 18046
1939 1 4 . 1 1 27 27 ASP C C 27 177.178 177.178 176.954 0.224 18046
1940 1 4 . 1 1 27 27 ASP CA C 27 54.500 54.500 54.807 -0.307 18046
1941 1 4 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.630 1.870 18046
1942 1 4 . 1 1 27 27 ASP H H 27 8.612 8.612 8.315 0.297 18046
1943 1 4 . 1 1 28 28 GLU N N 28 124.674 124.674 119.740 4.934 18046
1944 1 4 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.194 0.196 18046
1945 1 4 . 1 1 28 28 GLU C C 28 175.019 175.019 176.636 -1.617 18046
1946 1 4 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.804 -1.104 18046
1947 1 4 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.374 -0.774 18046
1948 1 4 . 1 1 28 28 GLU H H 28 8.632 8.632 8.706 -0.074 18046
1949 1 4 . 1 1 29 29 ASN N N 29 115.882 115.882 118.301 -2.419 18046
1950 1 4 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.918 -0.288 18046
1951 1 4 . 1 1 29 29 ASN C C 29 175.382 175.382 173.476 1.906 18046
1952 1 4 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.872 -0.072 18046
1953 1 4 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.021 0.979 18046
1954 1 4 . 1 1 29 29 ASN H H 29 9.360 9.360 8.253 1.107 18046
1955 1 4 . 1 1 30 30 ASP N N 30 127.013 127.013 121.985 5.028 18046
1956 1 4 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.797 0.753 18046
1957 1 4 . 1 1 30 30 ASP C C 30 172.009 172.009 174.568 -2.559 18046
1958 1 4 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.452 0.748 18046
1959 1 4 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.888 -0.088 18046
1960 1 4 . 1 1 30 30 ASP H H 30 8.710 8.710 8.615 0.095 18046
1961 1 4 . 1 1 31 31 VAL N N 31 112.784 112.784 120.394 -7.610 18046
1962 1 4 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.328 1.072 18046
1963 1 4 . 1 1 31 31 VAL C C 31 173.273 173.273 175.056 -1.783 18046
1964 1 4 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.124 -2.124 18046
1965 1 4 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.485 3.315 18046
1966 1 4 . 1 1 31 31 VAL H H 31 7.364 7.364 8.401 -1.037 18046
1967 1 4 . 1 1 32 32 TYR N N 32 120.917 120.917 126.307 -5.390 18046
1968 1 4 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.441 0.229 18046
1969 1 4 . 1 1 32 32 TYR C C 32 174.735 174.735 175.348 -0.613 18046
1970 1 4 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.399 1.401 18046
1971 1 4 . 1 1 32 32 TYR CB C 32 43.100 43.100 42.040 1.060 18046
1972 1 4 . 1 1 32 32 TYR H H 32 9.698 9.698 8.155 1.543 18046
1973 1 4 . 1 1 33 33 LEU N N 33 119.790 119.790 119.722 0.068 18046
1974 1 4 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.629 1.081 18046
1975 1 4 . 1 1 33 33 LEU C C 33 175.551 175.551 175.187 0.364 18046
1976 1 4 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.546 -2.066 18046
1977 1 4 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.119 0.166 18046
1978 1 4 . 1 1 33 33 LEU H H 33 9.111 9.111 8.719 0.392 18046
1979 1 4 . 1 1 34 34 LEU N N 34 125.829 125.829 126.595 -0.766 18046
1980 1 4 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.963 0.447 18046
1981 1 4 . 1 1 34 34 LEU C C 34 174.819 174.819 174.740 0.079 18046
1982 1 4 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.387 -0.067 18046
1983 1 4 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.879 -0.299 18046
1984 1 4 . 1 1 34 34 LEU H H 34 9.847 9.847 8.235 1.612 18046
1985 1 4 . 1 1 35 35 ASP N N 35 126.739 126.739 128.094 -1.355 18046
1986 1 4 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.018 0.122 18046
1987 1 4 . 1 1 35 35 ASP C C 35 176.690 176.690 175.750 0.940 18046
1988 1 4 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.741 -0.141 18046
1989 1 4 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.252 0.948 18046
1990 1 4 . 1 1 35 35 ASP H H 35 9.740 9.740 8.723 1.017 18046
1991 1 4 . 1 1 36 36 THR N N 36 118.603 118.603 114.821 3.782 18046
1992 1 4 . 1 1 36 36 THR HA H 36 4.290 4.290 4.328 -0.038 18046
1993 1 4 . 1 1 36 36 THR C C 36 175.471 175.471 174.533 0.938 18046
1994 1 4 . 1 1 36 36 THR CA C 36 60.800 60.800 59.739 1.061 18046
1995 1 4 . 1 1 36 36 THR CB C 36 68.500 68.500 70.535 -2.035 18046
1996 1 4 . 1 1 36 36 THR H H 36 8.596 8.596 7.744 0.852 18046
1997 1 4 . 1 1 37 37 TRP N N 37 122.021 122.021 122.305 -0.284 18046
1998 1 4 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.521 -0.471 18046
1999 1 4 . 1 1 37 37 TRP C C 37 177.341 177.341 177.618 -0.277 18046
2000 1 4 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.100 2.700 18046
2001 1 4 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.471 -0.471 18046
2002 1 4 . 1 1 37 37 TRP H H 37 9.090 9.090 8.379 0.711 18046
2003 1 4 . 1 1 38 38 ASP N N 38 117.786 117.786 117.563 0.223 18046
2004 1 4 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.456 -0.066 18046
2005 1 4 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.067 -0.067 18046
2006 1 4 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.531 -0.231 18046
2007 1 4 . 1 1 38 38 ASP H H 38 8.676 8.676 8.298 0.378 18046
2008 1 4 . 1 1 39 39 GLN N N 39 110.693 110.693 114.554 -3.861 18046
2009 1 4 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.453 0.037 18046
2010 1 4 . 1 1 39 39 GLN C C 39 173.398 173.398 174.188 -0.790 18046
2011 1 4 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.197 -0.397 18046
2012 1 4 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.609 0.591 18046
2013 1 4 . 1 1 39 39 GLN H H 39 7.325 7.325 7.852 -0.527 18046
2014 1 4 . 1 1 40 40 ILE N N 40 120.287 120.287 122.568 -2.281 18046
2015 1 4 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.499 0.481 18046
2016 1 4 . 1 1 40 40 ILE C C 40 175.143 175.143 176.089 -0.946 18046
2017 1 4 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.937 -1.837 18046
2018 1 4 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.596 1.104 18046
2019 1 4 . 1 1 40 40 ILE H H 40 8.663 8.663 8.520 0.143 18046
2020 1 4 . 1 1 41 41 PHE N N 41 124.653 124.653 127.767 -3.114 18046
2021 1 4 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.854 0.636 18046
2022 1 4 . 1 1 41 41 PHE C C 41 174.167 174.167 175.133 -0.966 18046
2023 1 4 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.171 0.229 18046
2024 1 4 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.104 2.096 18046
2025 1 4 . 1 1 41 41 PHE H H 41 9.555 9.555 9.475 0.080 18046
2026 1 4 . 1 1 42 42 PHE N N 42 128.681 128.681 125.312 3.369 18046
2027 1 4 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.907 0.673 18046
2028 1 4 . 1 1 42 42 PHE C C 42 172.940 172.940 174.880 -1.940 18046
2029 1 4 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.855 -1.155 18046
2030 1 4 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.848 2.152 18046
2031 1 4 . 1 1 42 42 PHE H H 42 9.647 9.647 8.417 1.230 18046
2032 1 4 . 1 1 43 43 TRP N N 43 128.634 128.634 125.944 2.690 18046
2033 1 4 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.792 0.488 18046
2034 1 4 . 1 1 43 43 TRP C C 43 175.877 175.877 174.558 1.319 18046
2035 1 4 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.792 1.208 18046
2036 1 4 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.136 2.064 18046
2037 1 4 . 1 1 43 43 TRP H H 43 9.997 9.997 8.788 1.209 18046
2038 1 4 . 1 1 44 44 ILE N N 44 126.166 126.166 125.732 0.434 18046
2039 1 4 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.594 -0.444 18046
2040 1 4 . 1 1 44 44 ILE C C 44 175.190 175.190 175.422 -0.232 18046
2041 1 4 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.125 0.375 18046
2042 1 4 . 1 1 44 44 ILE CB C 44 39.300 39.300 40.583 -1.283 18046
2043 1 4 . 1 1 44 44 ILE H H 44 8.359 8.359 7.904 0.455 18046
2044 1 4 . 1 1 45 45 GLY N N 45 119.260 119.260 113.770 5.490 18046
2045 1 4 . 1 1 45 45 GLY C C 45 176.163 176.163 174.470 1.693 18046
2046 1 4 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.555 2.045 18046
2047 1 4 . 1 1 45 45 GLY H H 45 7.603 7.603 8.221 -0.618 18046
2048 1 4 . 1 1 46 46 LYS N N 46 124.868 124.868 119.385 5.483 18046
2049 1 4 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.420 -0.350 18046
2050 1 4 . 1 1 46 46 LYS C C 46 177.700 177.700 177.398 0.302 18046
2051 1 4 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.497 1.703 18046
2052 1 4 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.317 -0.917 18046
2053 1 4 . 1 1 46 46 LYS H H 46 9.104 9.104 8.257 0.847 18046
2054 1 4 . 1 1 47 47 GLY N N 47 106.230 106.230 107.468 -1.238 18046
2055 1 4 . 1 1 47 47 GLY C C 47 175.326 175.326 173.992 1.334 18046
2056 1 4 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.274 -1.074 18046
2057 1 4 . 1 1 47 47 GLY H H 47 8.954 8.954 8.086 0.868 18046
2058 1 4 . 1 1 48 48 ALA N N 48 125.925 125.925 123.038 2.887 18046
2059 1 4 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.176 0.444 18046
2060 1 4 . 1 1 48 48 ALA C C 48 177.829 177.829 177.661 0.168 18046
2061 1 4 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.308 0.392 18046
2062 1 4 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.692 1.208 18046
2063 1 4 . 1 1 48 48 ALA H H 48 7.484 7.484 7.871 -0.387 18046
2064 1 4 . 1 1 49 49 ASN N N 49 119.683 119.683 123.146 -3.463 18046
2065 1 4 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.559 0.541 18046
2066 1 4 . 1 1 49 49 ASN C C 49 175.874 175.874 177.046 -1.172 18046
2067 1 4 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.612 -2.012 18046
2068 1 4 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.383 1.617 18046
2069 1 4 . 1 1 49 49 ASN H H 49 8.921 8.921 8.356 0.565 18046
2070 1 4 . 1 1 50 50 GLU N N 50 118.057 118.057 121.327 -3.270 18046
2071 1 4 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.140 -0.140 18046
2072 1 4 . 1 1 50 50 GLU C C 50 178.722 178.722 178.550 0.172 18046
2073 1 4 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.799 -0.199 18046
2074 1 4 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.569 0.031 18046
2075 1 4 . 1 1 50 50 GLU H H 50 8.828 8.828 8.971 -0.143 18046
2076 1 4 . 1 1 51 51 SER N N 51 115.397 115.397 114.870 0.527 18046
2077 1 4 . 1 1 51 51 SER HA H 51 4.350 4.350 4.192 0.158 18046
2078 1 4 . 1 1 51 51 SER C C 51 177.932 177.932 176.314 1.618 18046
2079 1 4 . 1 1 51 51 SER CA C 51 61.800 61.800 61.328 0.472 18046
2080 1 4 . 1 1 51 51 SER CB C 51 62.700 62.700 63.086 -0.386 18046
2081 1 4 . 1 1 51 51 SER H H 51 8.401 8.401 8.358 0.043 18046
2082 1 4 . 1 1 52 52 GLU N N 52 122.271 122.271 121.920 0.351 18046
2083 1 4 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.105 -0.005 18046
2084 1 4 . 1 1 52 52 GLU C C 52 177.665 177.665 178.456 -0.791 18046
2085 1 4 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.709 -0.509 18046
2086 1 4 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.996 -0.596 18046
2087 1 4 . 1 1 52 52 GLU H H 52 8.566 8.566 8.308 0.258 18046
2088 1 4 . 1 1 53 53 LYS N N 53 119.319 119.319 118.376 0.943 18046
2089 1 4 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.977 0.063 18046
2090 1 4 . 1 1 53 53 LYS C C 53 178.727 178.727 178.393 0.334 18046
2091 1 4 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.188 1.712 18046
2092 1 4 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.185 0.415 18046
2093 1 4 . 1 1 53 53 LYS H H 53 7.704 7.704 7.563 0.141 18046
2094 1 4 . 1 1 54 54 GLU N N 54 119.268 119.268 118.820 0.448 18046
2095 1 4 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.123 -0.063 18046
2096 1 4 . 1 1 54 54 GLU C C 54 179.211 179.211 178.306 0.905 18046
2097 1 4 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.017 0.483 18046
2098 1 4 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.707 0.193 18046
2099 1 4 . 1 1 54 54 GLU H H 54 8.173 8.173 7.290 0.883 18046
2100 1 4 . 1 1 55 55 ALA N N 55 121.311 121.311 121.901 -0.590 18046
2101 1 4 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.818 0.132 18046
2102 1 4 . 1 1 55 55 ALA C C 55 180.920 180.920 179.355 1.565 18046
2103 1 4 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.670 -0.170 18046
2104 1 4 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.137 -1.337 18046
2105 1 4 . 1 1 55 55 ALA H H 55 7.954 7.954 8.333 -0.379 18046
2106 1 4 . 1 1 56 56 ALA N N 56 123.395 123.395 119.403 3.992 18046
2107 1 4 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.152 -0.132 18046
2108 1 4 . 1 1 56 56 ALA C C 56 178.383 178.383 178.915 -0.532 18046
2109 1 4 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.566 0.834 18046
2110 1 4 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.308 1.292 18046
2111 1 4 . 1 1 56 56 ALA H H 56 8.393 8.393 8.077 0.316 18046
2112 1 4 . 1 1 57 57 ALA N N 57 120.754 120.754 120.839 -0.085 18046
2113 1 4 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.826 0.094 18046
2114 1 4 . 1 1 57 57 ALA C C 57 180.433 180.433 179.541 0.892 18046
2115 1 4 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.661 1.039 18046
2116 1 4 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.510 -0.810 18046
2117 1 4 . 1 1 57 57 ALA H H 57 7.690 7.690 7.353 0.337 18046
2118 1 4 . 1 1 58 58 GLU N N 58 118.337 118.337 118.113 0.224 18046
2119 1 4 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.142 -0.042 18046
2120 1 4 . 1 1 58 58 GLU C C 58 179.210 179.210 179.125 0.085 18046
2121 1 4 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.243 -0.043 18046
2122 1 4 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.738 -0.438 18046
2123 1 4 . 1 1 58 58 GLU H H 58 7.423 7.423 7.779 -0.356 18046
2124 1 4 . 1 1 59 59 THR N N 59 118.744 118.744 115.509 3.235 18046
2125 1 4 . 1 1 59 59 THR HA H 59 3.860 3.860 4.033 -0.173 18046
2126 1 4 . 1 1 59 59 THR C C 59 175.722 175.722 176.113 -0.391 18046
2127 1 4 . 1 1 59 59 THR CA C 59 67.420 67.420 66.474 0.946 18046
2128 1 4 . 1 1 59 59 THR CB C 59 68.590 68.590 68.596 -0.006 18046
2129 1 4 . 1 1 59 59 THR H H 59 8.354 8.354 8.372 -0.018 18046
2130 1 4 . 1 1 60 60 ALA N N 60 122.991 122.991 123.033 -0.042 18046
2131 1 4 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.761 -0.031 18046
2132 1 4 . 1 1 60 60 ALA C C 60 178.155 178.155 179.348 -1.193 18046
2133 1 4 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.017 0.683 18046
2134 1 4 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.064 -0.264 18046
2135 1 4 . 1 1 60 60 ALA H H 60 8.294 8.294 7.403 0.891 18046
2136 1 4 . 1 1 61 61 GLN N N 61 113.649 113.649 117.492 -3.843 18046
2137 1 4 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.978 0.012 18046
2138 1 4 . 1 1 61 61 GLN C C 61 178.640 178.640 178.401 0.239 18046
2139 1 4 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.368 -0.448 18046
2140 1 4 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.146 0.314 18046
2141 1 4 . 1 1 61 61 GLN H H 61 7.215 7.215 8.053 -0.838 18046
2142 1 4 . 1 1 62 62 GLU N N 62 120.684 120.684 118.254 2.430 18046
2143 1 4 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.039 0.001 18046
2144 1 4 . 1 1 62 62 GLU C C 62 179.047 179.047 178.858 0.189 18046
2145 1 4 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.263 -0.063 18046
2146 1 4 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.278 0.022 18046
2147 1 4 . 1 1 62 62 GLU H H 62 8.126 8.126 7.757 0.369 18046
2148 1 4 . 1 1 63 63 TYR N N 63 122.118 122.118 120.277 1.841 18046
2149 1 4 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.263 -0.033 18046
2150 1 4 . 1 1 63 63 TYR C C 63 178.643 178.643 177.674 0.969 18046
2151 1 4 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.879 -0.779 18046
2152 1 4 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.815 -1.015 18046
2153 1 4 . 1 1 63 63 TYR H H 63 8.796 8.796 7.737 1.059 18046
2154 1 4 . 1 1 64 64 LEU N N 64 119.163 119.163 119.737 -0.574 18046
2155 1 4 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.779 -0.099 18046
2156 1 4 . 1 1 64 64 LEU C C 64 178.475 178.475 179.395 -0.920 18046
2157 1 4 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.044 -0.044 18046
2158 1 4 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.642 1.857 18046
2159 1 4 . 1 1 64 64 LEU H H 64 7.799 7.799 7.772 0.027 18046
2160 1 4 . 1 1 65 65 ARG N N 65 116.868 116.868 116.647 0.221 18046
2161 1 4 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.974 0.096 18046
2162 1 4 . 1 1 65 65 ARG C C 65 177.464 177.464 177.480 -0.016 18046
2163 1 4 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.497 0.103 18046
2164 1 4 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.868 0.932 18046
2165 1 4 . 1 1 65 65 ARG H H 65 7.842 7.842 7.568 0.274 18046
2166 1 4 . 1 1 66 66 SER N N 66 112.527 112.527 111.847 0.680 18046
2167 1 4 . 1 1 66 66 SER HA H 66 4.360 4.360 4.230 0.130 18046
2168 1 4 . 1 1 66 66 SER C C 66 174.087 174.087 175.273 -1.186 18046
2169 1 4 . 1 1 66 66 SER CA C 66 59.440 59.440 59.240 0.200 18046
2170 1 4 . 1 1 66 66 SER CB C 66 64.120 64.120 64.025 0.095 18046
2171 1 4 . 1 1 66 66 SER H H 66 7.907 7.907 7.733 0.174 18046
2172 1 4 . 1 1 67 67 HIS N N 67 123.090 123.090 122.612 0.478 18046
2173 1 4 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.442 0.218 18046
2174 1 4 . 1 1 67 67 HIS CA C 67 55.400 55.400 55.373 0.027 18046
2175 1 4 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.975 -0.375 18046
2176 1 4 . 1 1 67 67 HIS H H 67 7.515 7.515 7.622 -0.107 18046
2177 1 4 . 1 1 68 68 PRO C C 68 176.365 176.365 176.896 -0.531 18046
2178 1 4 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.355 6.005 18046
2179 1 4 . 1 1 69 69 GLY N N 69 124.202 124.202 106.847 17.355 18046
2180 1 4 . 1 1 69 69 GLY C C 69 174.331 174.331 174.313 0.018 18046
2181 1 4 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.703 0.997 18046
2182 1 4 . 1 1 69 69 GLY H H 69 8.166 8.166 8.256 -0.090 18046
2183 1 4 . 1 1 70 70 SER N N 70 115.467 115.467 116.871 -1.404 18046
2184 1 4 . 1 1 70 70 SER HA H 70 4.450 4.450 4.527 -0.077 18046
2185 1 4 . 1 1 70 70 SER C C 70 174.329 174.329 175.897 -1.568 18046
2186 1 4 . 1 1 70 70 SER CA C 70 58.640 58.640 59.443 -0.803 18046
2187 1 4 . 1 1 70 70 SER CB C 70 63.040 63.040 63.868 -0.828 18046
2188 1 4 . 1 1 70 70 SER H H 70 8.280 8.280 8.629 -0.349 18046
2189 1 4 . 1 1 71 71 ARG N N 71 120.585 120.585 121.929 -1.344 18046
2190 1 4 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.446 -0.216 18046
2191 1 4 . 1 1 71 71 ARG C C 71 175.793 175.793 177.293 -1.500 18046
2192 1 4 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.646 -0.546 18046
2193 1 4 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.186 1.214 18046
2194 1 4 . 1 1 71 71 ARG H H 71 8.341 8.341 8.204 0.137 18046
2195 1 4 . 1 1 72 72 ASP N N 72 120.258 120.258 120.329 -0.071 18046
2196 1 4 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.439 0.001 18046
2197 1 4 . 1 1 72 72 ASP C C 72 178.038 178.038 177.922 0.116 18046
2198 1 4 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.877 -2.347 18046
2199 1 4 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.404 0.366 18046
2200 1 4 . 1 1 72 72 ASP H H 72 8.471 8.471 8.631 -0.160 18046
2201 1 4 . 1 1 73 73 LEU N N 73 127.518 127.518 118.449 9.069 18046
2202 1 4 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.108 -0.018 18046
2203 1 4 . 1 1 73 73 LEU C C 73 177.417 177.417 177.801 -0.384 18046
2204 1 4 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.800 0.200 18046
2205 1 4 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.062 -1.062 18046
2206 1 4 . 1 1 73 73 LEU H H 73 8.826 8.826 7.843 0.983 18046
2207 1 4 . 1 1 74 74 ASP N N 74 117.787 117.787 116.964 0.823 18046
2208 1 4 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.449 0.291 18046
2209 1 4 . 1 1 74 74 ASP C C 74 175.765 175.765 176.575 -0.810 18046
2210 1 4 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.059 -2.159 18046
2211 1 4 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.736 -0.266 18046
2212 1 4 . 1 1 74 74 ASP H H 74 8.480 8.480 7.907 0.573 18046
2213 1 4 . 1 1 75 75 THR N N 75 119.682 119.682 117.172 2.510 18046
2214 1 4 . 1 1 75 75 THR HA H 75 4.210 4.210 4.213 -0.003 18046
2215 1 4 . 1 1 75 75 THR CA C 75 62.440 62.440 62.022 0.418 18046
2216 1 4 . 1 1 75 75 THR CB C 75 70.940 70.940 69.143 1.797 18046
2217 1 4 . 1 1 75 75 THR H H 75 7.303 7.303 7.480 -0.177 18046
2218 1 4 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.309 -0.069 18046
2219 1 4 . 1 1 76 76 PRO C C 76 174.823 174.823 175.574 -0.751 18046
2220 1 4 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.565 1.035 18046
2221 1 4 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.366 0.734 18046
2222 1 4 . 1 1 77 77 ILE N N 77 121.906 121.906 118.840 3.066 18046
2223 1 4 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.994 0.996 18046
2224 1 4 . 1 1 77 77 ILE C C 77 176.571 176.571 176.316 0.255 18046
2225 1 4 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.248 -0.748 18046
2226 1 4 . 1 1 77 77 ILE CB C 77 38.100 38.100 40.133 -2.033 18046
2227 1 4 . 1 1 77 77 ILE H H 77 8.052 8.052 7.867 0.185 18046
2228 1 4 . 1 1 78 78 ILE N N 78 130.054 130.054 127.541 2.513 18046
2229 1 4 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.032 0.268 18046
2230 1 4 . 1 1 78 78 ILE C C 78 175.471 175.471 175.307 0.164 18046
2231 1 4 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.856 -1.056 18046
2232 1 4 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.998 2.301 18046
2233 1 4 . 1 1 78 78 ILE H H 78 8.977 8.977 8.382 0.595 18046
2234 1 4 . 1 1 79 79 VAL N N 79 130.072 130.072 127.617 2.455 18046
2235 1 4 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.970 0.720 18046
2236 1 4 . 1 1 79 79 VAL C C 79 176.024 176.024 175.876 0.148 18046
2237 1 4 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.428 0.472 18046
2238 1 4 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.903 -0.203 18046
2239 1 4 . 1 1 79 79 VAL H H 79 8.872 8.872 8.000 0.872 18046
2240 1 4 . 1 1 80 80 VAL N N 80 129.055 129.055 126.412 2.643 18046
2241 1 4 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.280 0.140 18046
2242 1 4 . 1 1 80 80 VAL C C 80 173.028 173.028 174.572 -1.544 18046
2243 1 4 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.746 -0.746 18046
2244 1 4 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.052 1.348 18046
2245 1 4 . 1 1 80 80 VAL H H 80 9.608 9.608 8.225 1.383 18046
2246 1 4 . 1 1 81 81 LYS N N 81 123.854 123.854 123.946 -0.092 18046
2247 1 4 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.684 -0.514 18046
2248 1 4 . 1 1 81 81 LYS C C 81 175.225 175.225 175.952 -0.727 18046
2249 1 4 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.730 0.370 18046
2250 1 4 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.605 -0.405 18046
2251 1 4 . 1 1 81 81 LYS H H 81 8.441 8.441 8.338 0.103 18046
2252 1 4 . 1 1 82 82 GLN N N 82 121.237 121.237 121.403 -0.166 18046
2253 1 4 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.078 -0.118 18046
2254 1 4 . 1 1 82 82 GLN C C 82 177.016 177.016 176.384 0.632 18046
2255 1 4 . 1 1 82 82 GLN CA C 82 56.500 56.500 57.228 -0.728 18046
2256 1 4 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.982 0.118 18046
2257 1 4 . 1 1 82 82 GLN H H 82 6.493 6.493 8.646 -2.153 18046
2258 1 4 . 1 1 83 83 GLY N N 83 118.629 118.629 113.554 5.075 18046
2259 1 4 . 1 1 83 83 GLY C C 83 174.491 174.491 172.961 1.530 18046
2260 1 4 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.330 1.070 18046
2261 1 4 . 1 1 83 83 GLY H H 83 10.072 10.072 8.518 1.554 18046
2262 1 4 . 1 1 84 84 PHE N N 84 120.834 120.834 120.081 0.753 18046
2263 1 4 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046
2264 1 4 . 1 1 84 84 PHE C C 84 177.056 177.056 174.364 2.692 18046
2265 1 4 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.236 -0.736 18046
2266 1 4 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.873 -2.172 18046
2267 1 4 . 1 1 84 84 PHE H H 84 8.431 8.431 7.281 1.150 18046
2268 1 4 . 1 1 85 85 GLU N N 85 125.174 125.174 125.266 -0.092 18046
2269 1 4 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.793 -0.683 18046
2270 1 4 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.536 4.344 18046
2271 1 4 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.167 -2.997 18046
2272 1 4 . 1 1 85 85 GLU H H 85 10.207 10.207 8.532 1.675 18046
2273 1 4 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.487 0.263 18046
2274 1 4 . 1 1 87 87 PRO C C 87 178.401 178.401 178.066 0.335 18046
2275 1 4 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.910 -0.410 18046
2276 1 4 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.940 -0.540 18046
2277 1 4 . 1 1 88 88 THR N N 88 107.088 107.088 112.393 -5.305 18046
2278 1 4 . 1 1 88 88 THR HA H 88 4.080 4.080 4.049 0.031 18046
2279 1 4 . 1 1 88 88 THR C C 88 174.325 174.325 175.683 -1.358 18046
2280 1 4 . 1 1 88 88 THR CA C 88 63.200 63.200 64.987 -1.787 18046
2281 1 4 . 1 1 88 88 THR CB C 88 68.300 68.300 68.169 0.131 18046
2282 1 4 . 1 1 88 88 THR H H 88 7.316 7.316 8.159 -0.843 18046
2283 1 4 . 1 1 89 89 PHE N N 89 119.031 119.031 122.229 -3.198 18046
2284 1 4 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.966 -0.046 18046
2285 1 4 . 1 1 89 89 PHE C C 89 175.661 175.661 177.305 -1.644 18046
2286 1 4 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.877 -0.876 18046
2287 1 4 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.843 2.217 18046
2288 1 4 . 1 1 89 89 PHE H H 89 7.437 7.437 7.903 -0.466 18046
2289 1 4 . 1 1 90 90 THR N N 90 107.216 107.216 116.306 -9.090 18046
2290 1 4 . 1 1 90 90 THR HA H 90 3.210 3.210 3.281 -0.071 18046
2291 1 4 . 1 1 90 90 THR C C 90 177.340 177.340 176.506 0.834 18046
2292 1 4 . 1 1 90 90 THR CA C 90 65.000 65.000 67.056 -2.056 18046
2293 1 4 . 1 1 90 90 THR CB C 90 68.200 68.200 67.819 0.381 18046
2294 1 4 . 1 1 90 90 THR H H 90 7.675 7.675 7.953 -0.278 18046
2295 1 4 . 1 1 91 91 GLY N N 91 106.674 106.674 109.133 -2.459 18046
2296 1 4 . 1 1 91 91 GLY C C 91 174.591 174.591 174.728 -0.137 18046
2297 1 4 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.745 0.555 18046
2298 1 4 . 1 1 91 91 GLY H H 91 7.865 7.865 7.403 0.462 18046
2299 1 4 . 1 1 92 92 TRP N N 92 117.951 117.951 119.011 -1.060 18046
2300 1 4 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.319 0.171 18046
2301 1 4 . 1 1 92 92 TRP C C 92 174.042 174.042 176.185 -2.143 18046
2302 1 4 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.890 0.580 18046
2303 1 4 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.267 0.363 18046
2304 1 4 . 1 1 92 92 TRP H H 92 7.018 7.018 7.158 -0.140 18046
2305 1 4 . 1 1 93 93 PHE N N 93 118.863 118.863 115.667 3.196 18046
2306 1 4 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.298 0.312 18046
2307 1 4 . 1 1 93 93 PHE C C 93 175.872 175.872 176.336 -0.464 18046
2308 1 4 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.501 0.399 18046
2309 1 4 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.285 0.515 18046
2310 1 4 . 1 1 93 93 PHE H H 93 7.956 7.956 7.679 0.277 18046
2311 1 4 . 1 1 94 94 MET N N 94 121.781 121.781 118.478 3.303 18046
2312 1 4 . 1 1 94 94 MET HA H 94 4.200 4.200 4.229 -0.029 18046
2313 1 4 . 1 1 94 94 MET C C 94 175.794 175.794 176.327 -0.533 18046
2314 1 4 . 1 1 94 94 MET CA C 94 57.900 57.900 55.262 2.638 18046
2315 1 4 . 1 1 94 94 MET CB C 94 32.300 32.300 32.010 0.290 18046
2316 1 4 . 1 1 94 94 MET H H 94 8.825 8.825 8.714 0.111 18046
2317 1 4 . 1 1 95 95 ALA N N 95 120.648 120.648 122.434 -1.786 18046
2318 1 4 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.387 0.053 18046
2319 1 4 . 1 1 95 95 ALA C C 95 175.600 175.600 176.561 -0.961 18046
2320 1 4 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.054 0.746 18046
2321 1 4 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.663 2.137 18046
2322 1 4 . 1 1 95 95 ALA H H 95 8.037 8.037 7.611 0.426 18046
2323 1 4 . 1 1 96 96 TRP N N 96 121.009 121.009 123.704 -2.695 18046
2324 1 4 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.385 -0.175 18046
2325 1 4 . 1 1 96 96 TRP C C 96 174.409 174.409 176.096 -1.687 18046
2326 1 4 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.620 0.180 18046
2327 1 4 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.959 0.541 18046
2328 1 4 . 1 1 96 96 TRP H H 96 8.481 8.481 8.400 0.081 18046
2329 1 4 . 1 1 97 97 ASP N N 97 128.963 128.963 121.086 7.877 18046
2330 1 4 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.106 -0.016 18046
2331 1 4 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.967 -1.407 18046
2332 1 4 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.884 -0.354 18046
2333 1 4 . 1 1 97 97 ASP H H 97 8.850 8.850 8.876 -0.026 18046
2334 1 4 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.401 0.109 18046
2335 1 4 . 1 1 98 98 PRO C C 98 177.169 177.169 177.263 -0.094 18046
2336 1 4 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.015 0.185 18046
2337 1 4 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.981 0.589 18046
2338 1 4 . 1 1 99 99 LEU N N 99 118.381 118.381 119.418 -1.037 18046
2339 1 4 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.453 0.077 18046
2340 1 4 . 1 1 99 99 LEU C C 99 177.338 177.338 178.160 -0.822 18046
2341 1 4 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.975 -0.425 18046
2342 1 4 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.478 -0.728 18046
2343 1 4 . 1 1 99 99 LEU H H 99 8.372 8.372 7.663 0.709 18046
2344 1 4 . 1 1 100 100 CYS N N 100 119.396 119.396 119.064 0.332 18046
2345 1 4 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.306 -0.696 18046
2346 1 4 . 1 1 100 100 CYS C C 100 174.820 174.820 175.867 -1.047 18046
2347 1 4 . 1 1 100 100 CYS CA C 100 61.500 61.500 60.974 0.527 18046
2348 1 4 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.365 0.935 18046
2349 1 4 . 1 1 100 100 CYS H H 100 7.052 7.052 7.848 -0.796 18046
2350 1 4 . 1 1 101 101 TRP N N 101 115.737 115.737 121.297 -5.560 18046
2351 1 4 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.629 0.151 18046
2352 1 4 . 1 1 101 101 TRP C C 101 176.485 176.485 176.103 0.382 18046
2353 1 4 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.354 1.546 18046
2354 1 4 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.123 -0.023 18046
2355 1 4 . 1 1 101 101 TRP H H 101 7.625 7.625 7.833 -0.208 18046
2356 1 4 . 1 1 102 102 SER N N 102 115.896 115.896 115.739 0.157 18046
2357 1 4 . 1 1 102 102 SER HA H 102 4.520 4.520 4.213 0.307 18046
2358 1 4 . 1 1 102 102 SER C C 102 174.333 174.333 175.611 -1.278 18046
2359 1 4 . 1 1 102 102 SER CA C 102 59.200 59.200 61.030 -1.830 18046
2360 1 4 . 1 1 102 102 SER CB C 102 64.100 64.100 62.957 1.143 18046
2361 1 4 . 1 1 102 102 SER H H 102 7.916 7.916 7.833 0.083 18046
2362 1 4 . 1 1 103 103 ASP N N 103 122.262 122.262 119.581 2.681 18046
2363 1 4 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.741 -0.081 18046
2364 1 4 . 1 1 103 103 ASP C C 103 176.129 176.129 178.319 -2.190 18046
2365 1 4 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.671 -0.971 18046
2366 1 4 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.204 -0.204 18046
2367 1 4 . 1 1 103 103 ASP H H 103 8.450 8.450 7.740 0.710 18046
2368 1 4 . 1 1 104 104 ARG N N 104 120.795 120.795 119.076 1.719 18046
2369 1 4 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.814 0.516 18046
2370 1 4 . 1 1 104 104 ARG C C 104 176.283 176.283 177.762 -1.479 18046
2371 1 4 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.235 -2.035 18046
2372 1 4 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.290 1.460 18046
2373 1 4 . 1 1 104 104 ARG H H 104 8.117 8.117 8.249 -0.132 18046
2374 1 4 . 1 1 105 105 LYS N N 105 122.131 122.131 116.392 5.739 18046
2375 1 4 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.230 0.115 18046
2376 1 4 . 1 1 105 105 LYS C C 105 176.284 176.284 176.761 -0.477 18046
2377 1 4 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.017 -0.716 18046
2378 1 4 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.012 0.088 18046
2379 1 4 . 1 1 105 105 LYS H H 105 8.294 8.294 7.631 0.663 18046
2380 1 4 . 1 1 106 106 SER N N 106 116.993 116.993 114.973 2.020 18046
2381 1 4 . 1 1 106 106 SER HA H 106 4.470 4.470 4.578 -0.108 18046
2382 1 4 . 1 1 106 106 SER CA C 106 58.300 58.300 57.525 0.775 18046
2383 1 4 . 1 1 106 106 SER CB C 106 64.200 64.200 64.955 -0.755 18046
2384 1 4 . 1 1 106 106 SER H H 106 8.235 8.235 7.637 0.598 18046
2385 1 5 . 1 1 2 2 ARG N N 2 117.203 117.203 118.430 -1.227 18046
2386 1 5 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.935 0.115 18046
2387 1 5 . 1 1 2 2 ARG C C 2 172.726 172.726 174.509 -1.783 18046
2388 1 5 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.615 0.584 18046
2389 1 5 . 1 1 2 2 ARG CB C 2 29.900 29.900 33.047 -3.147 18046
2390 1 5 . 1 1 2 2 ARG H H 2 8.108 8.108 7.851 0.257 18046
2391 1 5 . 1 1 3 3 LEU N N 3 125.261 125.261 119.160 6.101 18046
2392 1 5 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.101 0.119 18046
2393 1 5 . 1 1 3 3 LEU C C 3 174.166 174.166 175.358 -1.192 18046
2394 1 5 . 1 1 3 3 LEU CA C 3 53.000 53.000 52.998 0.002 18046
2395 1 5 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.648 -0.248 18046
2396 1 5 . 1 1 3 3 LEU H H 3 8.542 8.542 8.248 0.294 18046
2397 1 5 . 1 1 4 4 PHE N N 4 123.490 123.490 116.485 7.005 18046
2398 1 5 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.819 0.281 18046
2399 1 5 . 1 1 4 4 PHE C C 4 174.820 174.820 174.536 0.284 18046
2400 1 5 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.383 -1.093 18046
2401 1 5 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.272 0.078 18046
2402 1 5 . 1 1 4 4 PHE H H 4 9.591 9.591 8.739 0.852 18046
2403 1 5 . 1 1 5 5 GLU N N 5 125.718 125.718 125.318 0.400 18046
2404 1 5 . 1 1 5 5 GLU HA H 5 4.020 4.020 5.050 -1.030 18046
2405 1 5 . 1 1 5 5 GLU C C 5 174.892 174.892 175.956 -1.064 18046
2406 1 5 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.377 -0.277 18046
2407 1 5 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.604 2.246 18046
2408 1 5 . 1 1 5 5 GLU H H 5 9.484 9.484 8.603 0.881 18046
2409 1 5 . 1 1 6 6 CYS N N 6 127.915 127.915 125.974 1.941 18046
2410 1 5 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.192 -0.172 18046
2411 1 5 . 1 1 6 6 CYS C C 6 172.378 172.378 173.771 -1.393 18046
2412 1 5 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.525 1.475 18046
2413 1 5 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.256 1.044 18046
2414 1 5 . 1 1 6 6 CYS H H 6 8.937 8.937 8.389 0.548 18046
2415 1 5 . 1 1 7 7 SER N N 7 113.574 113.574 118.016 -4.442 18046
2416 1 5 . 1 1 7 7 SER HA H 7 5.420 5.420 4.835 0.585 18046
2417 1 5 . 1 1 7 7 SER C C 7 175.632 175.632 172.869 2.763 18046
2418 1 5 . 1 1 7 7 SER CA C 7 55.400 55.400 56.776 -1.376 18046
2419 1 5 . 1 1 7 7 SER CB C 7 65.900 65.900 66.401 -0.501 18046
2420 1 5 . 1 1 7 7 SER H H 7 7.873 7.873 8.211 -0.338 18046
2421 1 5 . 1 1 8 8 ASN N N 8 126.153 126.153 121.695 4.458 18046
2422 1 5 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.133 0.507 18046
2423 1 5 . 1 1 8 8 ASN C C 8 178.392 178.392 175.828 2.564 18046
2424 1 5 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.650 -1.150 18046
2425 1 5 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.019 -0.919 18046
2426 1 5 . 1 1 8 8 ASN H H 8 10.299 10.299 9.099 1.200 18046
2427 1 5 . 1 1 9 9 LYS N N 9 123.420 123.420 123.540 -0.120 18046
2428 1 5 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.169 0.061 18046
2429 1 5 . 1 1 9 9 LYS C C 9 177.891 177.891 177.310 0.581 18046
2430 1 5 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.123 0.677 18046
2431 1 5 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.853 -0.953 18046
2432 1 5 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046
2433 1 5 . 1 1 10 10 THR N N 10 110.292 110.292 108.485 1.807 18046
2434 1 5 . 1 1 10 10 THR HA H 10 4.480 4.480 4.470 0.010 18046
2435 1 5 . 1 1 10 10 THR C C 10 175.392 175.392 175.791 -0.399 18046
2436 1 5 . 1 1 10 10 THR CA C 10 63.100 63.100 62.368 0.732 18046
2437 1 5 . 1 1 10 10 THR CB C 10 70.100 70.100 70.011 0.089 18046
2438 1 5 . 1 1 10 10 THR H H 10 8.525 8.525 7.891 0.634 18046
2439 1 5 . 1 1 11 11 GLY N N 11 110.668 110.668 110.193 0.475 18046
2440 1 5 . 1 1 11 11 GLY C C 11 172.867 172.867 173.626 -0.759 18046
2441 1 5 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.121 -0.421 18046
2442 1 5 . 1 1 11 11 GLY H H 11 8.266 8.266 8.107 0.159 18046
2443 1 5 . 1 1 12 12 ARG N N 12 118.170 118.170 120.254 -2.084 18046
2444 1 5 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.701 -0.041 18046
2445 1 5 . 1 1 12 12 ARG C C 12 173.924 173.924 174.577 -0.653 18046
2446 1 5 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.736 -0.836 18046
2447 1 5 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.952 -0.152 18046
2448 1 5 . 1 1 12 12 ARG H H 12 7.538 7.538 7.821 -0.283 18046
2449 1 5 . 1 1 13 13 PHE N N 13 121.956 121.956 123.357 -1.401 18046
2450 1 5 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.451 0.083 18046
2451 1 5 . 1 1 13 13 PHE C C 13 174.005 174.005 173.979 0.026 18046
2452 1 5 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.976 1.524 18046
2453 1 5 . 1 1 13 13 PHE CB C 13 39.000 39.000 40.215 -1.215 18046
2454 1 5 . 1 1 13 13 PHE H H 13 8.926 8.926 8.650 0.276 18046
2455 1 5 . 1 1 14 14 LEU N N 14 129.824 129.824 127.242 2.582 18046
2456 1 5 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.248 0.062 18046
2457 1 5 . 1 1 14 14 LEU C C 14 173.801 173.801 174.169 -0.368 18046
2458 1 5 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.884 1.316 18046
2459 1 5 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.082 1.518 18046
2460 1 5 . 1 1 14 14 LEU H H 14 8.114 8.114 7.320 0.794 18046
2461 1 5 . 1 1 15 15 ALA N N 15 125.201 125.201 125.382 -0.181 18046
2462 1 5 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.401 1.129 18046
2463 1 5 . 1 1 15 15 ALA C C 15 177.178 177.178 176.574 0.604 18046
2464 1 5 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.366 -1.566 18046
2465 1 5 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.232 0.568 18046
2466 1 5 . 1 1 15 15 ALA H H 15 8.234 8.234 8.189 0.045 18046
2467 1 5 . 1 1 16 16 THR N N 16 119.393 119.393 118.901 0.492 18046
2468 1 5 . 1 1 16 16 THR HA H 16 4.654 4.654 4.544 0.110 18046
2469 1 5 . 1 1 16 16 THR C C 16 173.434 173.434 172.690 0.744 18046
2470 1 5 . 1 1 16 16 THR CA C 16 61.261 61.261 60.903 0.358 18046
2471 1 5 . 1 1 16 16 THR CB C 16 71.500 71.500 71.370 0.130 18046
2472 1 5 . 1 1 16 16 THR H H 16 9.149 9.149 8.111 1.038 18046
2473 1 5 . 1 1 17 17 GLU N N 17 128.928 128.928 123.442 5.486 18046
2474 1 5 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.531 -0.141 18046
2475 1 5 . 1 1 17 17 GLU C C 17 175.799 175.799 174.923 0.876 18046
2476 1 5 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.789 2.011 18046
2477 1 5 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.806 -2.406 18046
2478 1 5 . 1 1 17 17 GLU H H 17 9.269 9.269 8.589 0.680 18046
2479 1 5 . 1 1 18 18 ILE N N 18 129.185 129.185 126.015 3.170 18046
2480 1 5 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.057 0.333 18046
2481 1 5 . 1 1 18 18 ILE C C 18 176.202 176.202 174.656 1.546 18046
2482 1 5 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.575 1.125 18046
2483 1 5 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.873 -1.773 18046
2484 1 5 . 1 1 18 18 ILE H H 18 8.814 8.814 8.307 0.507 18046
2485 1 5 . 1 1 19 19 VAL N N 19 127.068 127.068 125.773 1.295 18046
2486 1 5 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.721 0.559 18046
2487 1 5 . 1 1 19 19 VAL C C 19 175.632 175.632 176.348 -0.716 18046
2488 1 5 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.802 -1.202 18046
2489 1 5 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.116 0.384 18046
2490 1 5 . 1 1 19 19 VAL H H 19 8.600 8.600 7.925 0.675 18046
2491 1 5 . 1 1 20 20 ASP N N 20 122.793 122.793 123.713 -0.920 18046
2492 1 5 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.170 0.120 18046
2493 1 5 . 1 1 20 20 ASP C C 20 175.742 175.742 175.311 0.431 18046
2494 1 5 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.404 -0.304 18046
2495 1 5 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.902 -0.902 18046
2496 1 5 . 1 1 20 20 ASP H H 20 9.037 9.037 8.271 0.766 18046
2497 1 5 . 1 1 21 21 PHE N N 21 113.443 113.443 123.393 -9.950 18046
2498 1 5 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.680 0.130 18046
2499 1 5 . 1 1 21 21 PHE C C 21 175.062 175.062 175.384 -0.322 18046
2500 1 5 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.233 0.967 18046
2501 1 5 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.244 -0.344 18046
2502 1 5 . 1 1 21 21 PHE H H 21 6.542 6.542 7.572 -1.030 18046
2503 1 5 . 1 1 22 22 THR N N 22 112.200 112.200 112.127 0.073 18046
2504 1 5 . 1 1 22 22 THR HA H 22 4.900 4.900 4.874 0.026 18046
2505 1 5 . 1 1 22 22 THR C C 22 175.307 175.307 175.806 -0.499 18046
2506 1 5 . 1 1 22 22 THR CA C 22 60.400 60.400 60.581 -0.181 18046
2507 1 5 . 1 1 22 22 THR CB C 22 73.300 73.300 71.122 2.178 18046
2508 1 5 . 1 1 22 22 THR H H 22 9.640 9.640 8.191 1.449 18046
2509 1 5 . 1 1 23 23 GLN N N 23 122.406 122.406 118.769 3.637 18046
2510 1 5 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.221 -0.541 18046
2511 1 5 . 1 1 23 23 GLN C C 23 176.527 176.527 177.475 -0.948 18046
2512 1 5 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.383 0.618 18046
2513 1 5 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.231 -0.631 18046
2514 1 5 . 1 1 23 23 GLN H H 23 9.766 9.766 8.742 1.024 18046
2515 1 5 . 1 1 24 24 ASP N N 24 114.153 114.153 121.041 -6.888 18046
2516 1 5 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.442 -0.342 18046
2517 1 5 . 1 1 24 24 ASP C C 24 176.528 176.528 177.298 -0.770 18046
2518 1 5 . 1 1 24 24 ASP CA C 24 55.900 55.900 57.303 -1.403 18046
2519 1 5 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.736 0.024 18046
2520 1 5 . 1 1 24 24 ASP H H 24 7.760 7.760 7.833 -0.073 18046
2521 1 5 . 1 1 25 25 ASP N N 25 116.379 116.379 116.428 -0.049 18046
2522 1 5 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.736 -0.196 18046
2523 1 5 . 1 1 25 25 ASP C C 25 175.059 175.059 176.123 -1.064 18046
2524 1 5 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.315 0.885 18046
2525 1 5 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.634 0.866 18046
2526 1 5 . 1 1 25 25 ASP H H 25 7.655 7.655 8.461 -0.806 18046
2527 1 5 . 1 1 26 26 LEU N N 26 118.095 118.095 122.617 -4.522 18046
2528 1 5 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.171 -0.891 18046
2529 1 5 . 1 1 26 26 LEU C C 26 174.177 174.177 176.406 -2.229 18046
2530 1 5 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.455 -1.554 18046
2531 1 5 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.698 -1.398 18046
2532 1 5 . 1 1 26 26 LEU H H 26 7.309 7.309 7.255 0.054 18046
2533 1 5 . 1 1 27 27 ASP N N 27 127.757 127.757 126.737 1.020 18046
2534 1 5 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.610 0.190 18046
2535 1 5 . 1 1 27 27 ASP C C 27 177.178 177.178 177.051 0.127 18046
2536 1 5 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.009 -0.509 18046
2537 1 5 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.648 1.852 18046
2538 1 5 . 1 1 27 27 ASP H H 27 8.612 8.612 8.169 0.443 18046
2539 1 5 . 1 1 28 28 GLU N N 28 124.674 124.674 119.544 5.130 18046
2540 1 5 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.197 0.193 18046
2541 1 5 . 1 1 28 28 GLU C C 28 175.019 175.019 176.496 -1.477 18046
2542 1 5 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.599 -0.899 18046
2543 1 5 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.293 -0.693 18046
2544 1 5 . 1 1 28 28 GLU H H 28 8.632 8.632 8.681 -0.049 18046
2545 1 5 . 1 1 29 29 ASN N N 29 115.882 115.882 118.738 -2.856 18046
2546 1 5 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.983 -0.353 18046
2547 1 5 . 1 1 29 29 ASN C C 29 175.382 175.382 173.676 1.706 18046
2548 1 5 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.635 0.166 18046
2549 1 5 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.624 0.376 18046
2550 1 5 . 1 1 29 29 ASN H H 29 9.360 9.360 8.287 1.073 18046
2551 1 5 . 1 1 30 30 ASP N N 30 127.013 127.013 122.036 4.977 18046
2552 1 5 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.844 0.706 18046
2553 1 5 . 1 1 30 30 ASP C C 30 172.009 172.009 174.385 -2.376 18046
2554 1 5 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.799 1.401 18046
2555 1 5 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.720 0.080 18046
2556 1 5 . 1 1 30 30 ASP H H 30 8.710 8.710 8.572 0.138 18046
2557 1 5 . 1 1 31 31 VAL N N 31 112.784 112.784 120.664 -7.880 18046
2558 1 5 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.334 1.066 18046
2559 1 5 . 1 1 31 31 VAL C C 31 173.273 173.273 175.193 -1.920 18046
2560 1 5 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.877 -1.877 18046
2561 1 5 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.354 3.446 18046
2562 1 5 . 1 1 31 31 VAL H H 31 7.364 7.364 8.386 -1.022 18046
2563 1 5 . 1 1 32 32 TYR N N 32 120.917 120.917 126.623 -5.706 18046
2564 1 5 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.325 0.345 18046
2565 1 5 . 1 1 32 32 TYR C C 32 174.735 174.735 175.723 -0.988 18046
2566 1 5 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.861 0.939 18046
2567 1 5 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.608 1.492 18046
2568 1 5 . 1 1 32 32 TYR H H 32 9.698 9.698 8.251 1.447 18046
2569 1 5 . 1 1 33 33 LEU N N 33 119.790 119.790 120.099 -0.309 18046
2570 1 5 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.995 0.715 18046
2571 1 5 . 1 1 33 33 LEU C C 33 175.551 175.551 175.159 0.392 18046
2572 1 5 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.295 -1.815 18046
2573 1 5 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.131 0.154 18046
2574 1 5 . 1 1 33 33 LEU H H 33 9.111 9.111 8.761 0.350 18046
2575 1 5 . 1 1 34 34 LEU N N 34 125.829 125.829 126.428 -0.599 18046
2576 1 5 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.962 0.448 18046
2577 1 5 . 1 1 34 34 LEU C C 34 174.819 174.819 174.583 0.236 18046
2578 1 5 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.355 -0.035 18046
2579 1 5 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.312 -0.732 18046
2580 1 5 . 1 1 34 34 LEU H H 34 9.847 9.847 8.002 1.845 18046
2581 1 5 . 1 1 35 35 ASP N N 35 126.739 126.739 127.664 -0.925 18046
2582 1 5 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.922 0.218 18046
2583 1 5 . 1 1 35 35 ASP C C 35 176.690 176.690 175.644 1.046 18046
2584 1 5 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.303 0.297 18046
2585 1 5 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.557 0.643 18046
2586 1 5 . 1 1 35 35 ASP H H 35 9.740 9.740 8.637 1.103 18046
2587 1 5 . 1 1 36 36 THR N N 36 118.603 118.603 113.685 4.918 18046
2588 1 5 . 1 1 36 36 THR HA H 36 4.290 4.290 4.339 -0.049 18046
2589 1 5 . 1 1 36 36 THR C C 36 175.471 175.471 174.306 1.165 18046
2590 1 5 . 1 1 36 36 THR CA C 36 60.800 60.800 59.475 1.325 18046
2591 1 5 . 1 1 36 36 THR CB C 36 68.500 68.500 70.695 -2.195 18046
2592 1 5 . 1 1 36 36 THR H H 36 8.596 8.596 7.787 0.809 18046
2593 1 5 . 1 1 37 37 TRP N N 37 122.021 122.021 122.561 -0.540 18046
2594 1 5 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.423 -0.373 18046
2595 1 5 . 1 1 37 37 TRP C C 37 177.341 177.341 176.492 0.849 18046
2596 1 5 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.442 2.358 18046
2597 1 5 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.628 -0.628 18046
2598 1 5 . 1 1 37 37 TRP H H 37 9.090 9.090 8.319 0.771 18046
2599 1 5 . 1 1 38 38 ASP N N 38 117.786 117.786 117.834 -0.048 18046
2600 1 5 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.723 -0.333 18046
2601 1 5 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.411 -0.411 18046
2602 1 5 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.105 -0.805 18046
2603 1 5 . 1 1 38 38 ASP H H 38 8.676 8.676 7.755 0.921 18046
2604 1 5 . 1 1 39 39 GLN N N 39 110.693 110.693 114.784 -4.091 18046
2605 1 5 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.442 0.048 18046
2606 1 5 . 1 1 39 39 GLN C C 39 173.398 173.398 174.239 -0.841 18046
2607 1 5 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.440 -0.640 18046
2608 1 5 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.749 0.451 18046
2609 1 5 . 1 1 39 39 GLN H H 39 7.325 7.325 7.958 -0.633 18046
2610 1 5 . 1 1 40 40 ILE N N 40 120.287 120.287 122.967 -2.680 18046
2611 1 5 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.432 0.548 18046
2612 1 5 . 1 1 40 40 ILE C C 40 175.143 175.143 175.499 -0.356 18046
2613 1 5 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.214 -1.114 18046
2614 1 5 . 1 1 40 40 ILE CB C 40 39.700 39.700 37.897 1.803 18046
2615 1 5 . 1 1 40 40 ILE H H 40 8.663 8.663 8.543 0.120 18046
2616 1 5 . 1 1 41 41 PHE N N 41 124.653 124.653 127.864 -3.211 18046
2617 1 5 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.676 0.814 18046
2618 1 5 . 1 1 41 41 PHE C C 41 174.167 174.167 174.972 -0.805 18046
2619 1 5 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.251 0.150 18046
2620 1 5 . 1 1 41 41 PHE CB C 41 42.200 42.200 39.820 2.380 18046
2621 1 5 . 1 1 41 41 PHE H H 41 9.555 9.555 8.775 0.780 18046
2622 1 5 . 1 1 42 42 PHE N N 42 128.681 128.681 125.410 3.271 18046
2623 1 5 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.867 0.713 18046
2624 1 5 . 1 1 42 42 PHE C C 42 172.940 172.940 174.993 -2.053 18046
2625 1 5 . 1 1 42 42 PHE CA C 42 54.700 54.700 56.417 -1.717 18046
2626 1 5 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.197 1.804 18046
2627 1 5 . 1 1 42 42 PHE H H 42 9.647 9.647 8.457 1.190 18046
2628 1 5 . 1 1 43 43 TRP N N 43 128.634 128.634 125.797 2.837 18046
2629 1 5 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.799 0.481 18046
2630 1 5 . 1 1 43 43 TRP C C 43 175.877 175.877 174.625 1.252 18046
2631 1 5 . 1 1 43 43 TRP CA C 43 58.000 58.000 57.050 0.950 18046
2632 1 5 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.209 1.992 18046
2633 1 5 . 1 1 43 43 TRP H H 43 9.997 9.997 9.016 0.981 18046
2634 1 5 . 1 1 44 44 ILE N N 44 126.166 126.166 125.113 1.053 18046
2635 1 5 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.642 -0.492 18046
2636 1 5 . 1 1 44 44 ILE C C 44 175.190 175.190 175.552 -0.362 18046
2637 1 5 . 1 1 44 44 ILE CA C 44 60.500 60.500 59.989 0.511 18046
2638 1 5 . 1 1 44 44 ILE CB C 44 39.300 39.300 41.052 -1.752 18046
2639 1 5 . 1 1 44 44 ILE H H 44 8.359 8.359 7.860 0.499 18046
2640 1 5 . 1 1 45 45 GLY N N 45 119.260 119.260 112.744 6.516 18046
2641 1 5 . 1 1 45 45 GLY C C 45 176.163 176.163 174.435 1.728 18046
2642 1 5 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.337 2.263 18046
2643 1 5 . 1 1 45 45 GLY H H 45 7.603 7.603 8.145 -0.542 18046
2644 1 5 . 1 1 46 46 LYS N N 46 124.868 124.868 119.255 5.613 18046
2645 1 5 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.399 -0.329 18046
2646 1 5 . 1 1 46 46 LYS C C 46 177.700 177.700 177.423 0.277 18046
2647 1 5 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.482 1.718 18046
2648 1 5 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.208 -0.808 18046
2649 1 5 . 1 1 46 46 LYS H H 46 9.104 9.104 8.220 0.884 18046
2650 1 5 . 1 1 47 47 GLY N N 47 106.230 106.230 107.493 -1.263 18046
2651 1 5 . 1 1 47 47 GLY C C 47 175.326 175.326 174.033 1.293 18046
2652 1 5 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.279 -1.079 18046
2653 1 5 . 1 1 47 47 GLY H H 47 8.954 8.954 8.117 0.837 18046
2654 1 5 . 1 1 48 48 ALA N N 48 125.925 125.925 122.951 2.974 18046
2655 1 5 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.181 0.439 18046
2656 1 5 . 1 1 48 48 ALA C C 48 177.829 177.829 177.607 0.222 18046
2657 1 5 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.303 0.397 18046
2658 1 5 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.844 1.056 18046
2659 1 5 . 1 1 48 48 ALA H H 48 7.484 7.484 7.845 -0.361 18046
2660 1 5 . 1 1 49 49 ASN N N 49 119.683 119.683 123.189 -3.506 18046
2661 1 5 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.601 0.499 18046
2662 1 5 . 1 1 49 49 ASN C C 49 175.874 175.874 176.940 -1.066 18046
2663 1 5 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.691 -2.091 18046
2664 1 5 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.538 1.462 18046
2665 1 5 . 1 1 49 49 ASN H H 49 8.921 8.921 8.364 0.557 18046
2666 1 5 . 1 1 50 50 GLU N N 50 118.057 118.057 121.341 -3.284 18046
2667 1 5 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.085 -0.085 18046
2668 1 5 . 1 1 50 50 GLU C C 50 178.722 178.722 178.452 0.270 18046
2669 1 5 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.379 0.221 18046
2670 1 5 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.693 -0.093 18046
2671 1 5 . 1 1 50 50 GLU H H 50 8.828 8.828 8.989 -0.161 18046
2672 1 5 . 1 1 51 51 SER N N 51 115.397 115.397 114.936 0.461 18046
2673 1 5 . 1 1 51 51 SER HA H 51 4.350 4.350 4.147 0.203 18046
2674 1 5 . 1 1 51 51 SER C C 51 177.932 177.932 176.308 1.624 18046
2675 1 5 . 1 1 51 51 SER CA C 51 61.800 61.800 61.320 0.480 18046
2676 1 5 . 1 1 51 51 SER CB C 51 62.700 62.700 63.040 -0.340 18046
2677 1 5 . 1 1 51 51 SER H H 51 8.401 8.401 8.312 0.089 18046
2678 1 5 . 1 1 52 52 GLU N N 52 122.271 122.271 121.834 0.437 18046
2679 1 5 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.117 -0.017 18046
2680 1 5 . 1 1 52 52 GLU C C 52 177.665 177.665 178.457 -0.792 18046
2681 1 5 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.706 -0.506 18046
2682 1 5 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.989 -0.589 18046
2683 1 5 . 1 1 52 52 GLU H H 52 8.566 8.566 8.312 0.254 18046
2684 1 5 . 1 1 53 53 LYS N N 53 119.319 119.319 118.385 0.934 18046
2685 1 5 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.922 0.118 18046
2686 1 5 . 1 1 53 53 LYS C C 53 178.727 178.727 178.472 0.255 18046
2687 1 5 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.179 1.721 18046
2688 1 5 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.121 0.479 18046
2689 1 5 . 1 1 53 53 LYS H H 53 7.704 7.704 7.553 0.151 18046
2690 1 5 . 1 1 54 54 GLU N N 54 119.268 119.268 119.020 0.248 18046
2691 1 5 . 1 1 54 54 GLU HA H 54 4.060 4.060 3.993 0.067 18046
2692 1 5 . 1 1 54 54 GLU C C 54 179.211 179.211 178.283 0.928 18046
2693 1 5 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.011 0.489 18046
2694 1 5 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.588 0.312 18046
2695 1 5 . 1 1 54 54 GLU H H 54 8.173 8.173 7.270 0.903 18046
2696 1 5 . 1 1 55 55 ALA N N 55 121.311 121.311 121.923 -0.612 18046
2697 1 5 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.787 0.163 18046
2698 1 5 . 1 1 55 55 ALA C C 55 180.920 180.920 179.348 1.572 18046
2699 1 5 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.697 -0.197 18046
2700 1 5 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.169 -1.369 18046
2701 1 5 . 1 1 55 55 ALA H H 55 7.954 7.954 8.325 -0.371 18046
2702 1 5 . 1 1 56 56 ALA N N 56 123.395 123.395 119.479 3.916 18046
2703 1 5 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.169 -0.149 18046
2704 1 5 . 1 1 56 56 ALA C C 56 178.383 178.383 178.913 -0.530 18046
2705 1 5 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.597 0.803 18046
2706 1 5 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.366 1.234 18046
2707 1 5 . 1 1 56 56 ALA H H 56 8.393 8.393 8.122 0.271 18046
2708 1 5 . 1 1 57 57 ALA N N 57 120.754 120.754 120.804 -0.050 18046
2709 1 5 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.293 0.627 18046
2710 1 5 . 1 1 57 57 ALA C C 57 180.433 180.433 179.406 1.027 18046
2711 1 5 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.274 1.426 18046
2712 1 5 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.015 -0.314 18046
2713 1 5 . 1 1 57 57 ALA H H 57 7.690 7.690 7.211 0.479 18046
2714 1 5 . 1 1 58 58 GLU N N 58 118.337 118.337 118.523 -0.186 18046
2715 1 5 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.077 0.023 18046
2716 1 5 . 1 1 58 58 GLU C C 58 179.210 179.210 179.070 0.140 18046
2717 1 5 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.252 -0.052 18046
2718 1 5 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.860 -0.560 18046
2719 1 5 . 1 1 58 58 GLU H H 58 7.423 7.423 7.858 -0.435 18046
2720 1 5 . 1 1 59 59 THR N N 59 118.744 118.744 116.161 2.583 18046
2721 1 5 . 1 1 59 59 THR HA H 59 3.860 3.860 3.986 -0.126 18046
2722 1 5 . 1 1 59 59 THR C C 59 175.722 175.722 176.046 -0.324 18046
2723 1 5 . 1 1 59 59 THR CA C 59 67.420 67.420 66.210 1.210 18046
2724 1 5 . 1 1 59 59 THR CB C 59 68.590 68.590 68.758 -0.168 18046
2725 1 5 . 1 1 59 59 THR H H 59 8.354 8.354 8.421 -0.067 18046
2726 1 5 . 1 1 60 60 ALA N N 60 122.991 122.991 122.944 0.047 18046
2727 1 5 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.878 -0.148 18046
2728 1 5 . 1 1 60 60 ALA C C 60 178.155 178.155 179.400 -1.245 18046
2729 1 5 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.025 0.675 18046
2730 1 5 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.338 -0.538 18046
2731 1 5 . 1 1 60 60 ALA H H 60 8.294 8.294 7.512 0.782 18046
2732 1 5 . 1 1 61 61 GLN N N 61 113.649 113.649 116.819 -3.170 18046
2733 1 5 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.949 0.042 18046
2734 1 5 . 1 1 61 61 GLN C C 61 178.640 178.640 178.166 0.474 18046
2735 1 5 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.829 -0.909 18046
2736 1 5 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.087 0.373 18046
2737 1 5 . 1 1 61 61 GLN H H 61 7.215 7.215 8.107 -0.892 18046
2738 1 5 . 1 1 62 62 GLU N N 62 120.684 120.684 118.514 2.170 18046
2739 1 5 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.031 0.009 18046
2740 1 5 . 1 1 62 62 GLU C C 62 179.047 179.047 178.944 0.103 18046
2741 1 5 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.310 -0.110 18046
2742 1 5 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.157 0.142 18046
2743 1 5 . 1 1 62 62 GLU H H 62 8.126 8.126 7.824 0.302 18046
2744 1 5 . 1 1 63 63 TYR N N 63 122.118 122.118 120.468 1.650 18046
2745 1 5 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.197 0.033 18046
2746 1 5 . 1 1 63 63 TYR C C 63 178.643 178.643 178.241 0.402 18046
2747 1 5 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.912 -0.812 18046
2748 1 5 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.608 -0.808 18046
2749 1 5 . 1 1 63 63 TYR H H 63 8.796 8.796 7.757 1.039 18046
2750 1 5 . 1 1 64 64 LEU N N 64 119.163 119.163 119.600 -0.437 18046
2751 1 5 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.968 -0.288 18046
2752 1 5 . 1 1 64 64 LEU C C 64 178.475 178.475 179.319 -0.844 18046
2753 1 5 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.101 -0.101 18046
2754 1 5 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.568 1.933 18046
2755 1 5 . 1 1 64 64 LEU H H 64 7.799 7.799 7.807 -0.008 18046
2756 1 5 . 1 1 65 65 ARG N N 65 116.868 116.868 115.421 1.447 18046
2757 1 5 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.051 0.019 18046
2758 1 5 . 1 1 65 65 ARG C C 65 177.464 177.464 177.166 0.298 18046
2759 1 5 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.118 0.482 18046
2760 1 5 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.001 0.799 18046
2761 1 5 . 1 1 65 65 ARG H H 65 7.842 7.842 7.606 0.236 18046
2762 1 5 . 1 1 66 66 SER N N 66 112.527 112.527 112.801 -0.274 18046
2763 1 5 . 1 1 66 66 SER HA H 66 4.360 4.360 4.147 0.213 18046
2764 1 5 . 1 1 66 66 SER C C 66 174.087 174.087 174.730 -0.643 18046
2765 1 5 . 1 1 66 66 SER CA C 66 59.440 59.440 59.304 0.136 18046
2766 1 5 . 1 1 66 66 SER CB C 66 64.120 64.120 63.388 0.733 18046
2767 1 5 . 1 1 66 66 SER H H 66 7.907 7.907 7.608 0.299 18046
2768 1 5 . 1 1 67 67 HIS N N 67 123.090 123.090 122.553 0.537 18046
2769 1 5 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.824 -0.164 18046
2770 1 5 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.196 2.204 18046
2771 1 5 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.727 -0.128 18046
2772 1 5 . 1 1 67 67 HIS H H 67 7.515 7.515 7.287 0.228 18046
2773 1 5 . 1 1 68 68 PRO C C 68 176.365 176.365 176.957 -0.592 18046
2774 1 5 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.535 5.824 18046
2775 1 5 . 1 1 69 69 GLY N N 69 124.202 124.202 105.325 18.877 18046
2776 1 5 . 1 1 69 69 GLY C C 69 174.331 174.331 173.197 1.134 18046
2777 1 5 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.573 1.127 18046
2778 1 5 . 1 1 69 69 GLY H H 69 8.166 8.166 8.237 -0.071 18046
2779 1 5 . 1 1 70 70 SER N N 70 115.467 115.467 116.243 -0.776 18046
2780 1 5 . 1 1 70 70 SER HA H 70 4.450 4.450 4.558 -0.108 18046
2781 1 5 . 1 1 70 70 SER C C 70 174.329 174.329 175.627 -1.298 18046
2782 1 5 . 1 1 70 70 SER CA C 70 58.640 58.640 58.760 -0.120 18046
2783 1 5 . 1 1 70 70 SER CB C 70 63.040 63.040 64.382 -1.342 18046
2784 1 5 . 1 1 70 70 SER H H 70 8.280 8.280 8.850 -0.570 18046
2785 1 5 . 1 1 71 71 ARG N N 71 120.585 120.585 120.807 -0.222 18046
2786 1 5 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.584 -0.354 18046
2787 1 5 . 1 1 71 71 ARG C C 71 175.793 175.793 175.599 0.194 18046
2788 1 5 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.498 -0.398 18046
2789 1 5 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.438 0.962 18046
2790 1 5 . 1 1 71 71 ARG H H 71 8.341 8.341 8.357 -0.016 18046
2791 1 5 . 1 1 72 72 ASP N N 72 120.258 120.258 118.913 1.345 18046
2792 1 5 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.346 0.094 18046
2793 1 5 . 1 1 72 72 ASP C C 72 178.038 178.038 176.905 1.133 18046
2794 1 5 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.170 -2.640 18046
2795 1 5 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.316 0.454 18046
2796 1 5 . 1 1 72 72 ASP H H 72 8.471 8.471 8.409 0.062 18046
2797 1 5 . 1 1 73 73 LEU N N 73 127.518 127.518 115.801 11.717 18046
2798 1 5 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.286 -0.196 18046
2799 1 5 . 1 1 73 73 LEU C C 73 177.417 177.417 177.283 0.134 18046
2800 1 5 . 1 1 73 73 LEU CA C 73 57.000 57.000 55.904 1.096 18046
2801 1 5 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.632 -1.632 18046
2802 1 5 . 1 1 73 73 LEU H H 73 8.826 8.826 7.746 1.080 18046
2803 1 5 . 1 1 74 74 ASP N N 74 117.787 117.787 117.500 0.287 18046
2804 1 5 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.506 0.234 18046
2805 1 5 . 1 1 74 74 ASP C C 74 175.765 175.765 176.737 -0.972 18046
2806 1 5 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.981 -2.081 18046
2807 1 5 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.963 -0.493 18046
2808 1 5 . 1 1 74 74 ASP H H 74 8.480 8.480 8.061 0.419 18046
2809 1 5 . 1 1 75 75 THR N N 75 119.682 119.682 117.544 2.138 18046
2810 1 5 . 1 1 75 75 THR HA H 75 4.210 4.210 4.590 -0.380 18046
2811 1 5 . 1 1 75 75 THR CA C 75 62.440 62.440 61.227 1.213 18046
2812 1 5 . 1 1 75 75 THR CB C 75 70.940 70.940 69.066 1.874 18046
2813 1 5 . 1 1 75 75 THR H H 75 7.303 7.303 7.699 -0.396 18046
2814 1 5 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.439 -0.199 18046
2815 1 5 . 1 1 76 76 PRO C C 76 174.823 174.823 175.908 -1.085 18046
2816 1 5 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.503 1.097 18046
2817 1 5 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.366 0.734 18046
2818 1 5 . 1 1 77 77 ILE N N 77 121.906 121.906 121.077 0.829 18046
2819 1 5 . 1 1 77 77 ILE HA H 77 4.990 4.990 4.121 0.869 18046
2820 1 5 . 1 1 77 77 ILE C C 77 176.571 176.571 176.226 0.345 18046
2821 1 5 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.587 -1.087 18046
2822 1 5 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.630 -1.530 18046
2823 1 5 . 1 1 77 77 ILE H H 77 8.052 8.052 8.190 -0.138 18046
2824 1 5 . 1 1 78 78 ILE N N 78 130.054 130.054 127.423 2.631 18046
2825 1 5 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.043 0.257 18046
2826 1 5 . 1 1 78 78 ILE C C 78 175.471 175.471 175.652 -0.181 18046
2827 1 5 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.590 -0.790 18046
2828 1 5 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.261 3.039 18046
2829 1 5 . 1 1 78 78 ILE H H 78 8.977 8.977 8.203 0.774 18046
2830 1 5 . 1 1 79 79 VAL N N 79 130.072 130.072 127.981 2.091 18046
2831 1 5 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.927 0.763 18046
2832 1 5 . 1 1 79 79 VAL C C 79 176.024 176.024 175.891 0.133 18046
2833 1 5 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.501 0.399 18046
2834 1 5 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.251 -0.551 18046
2835 1 5 . 1 1 79 79 VAL H H 79 8.872 8.872 7.889 0.983 18046
2836 1 5 . 1 1 80 80 VAL N N 80 129.055 129.055 126.967 2.088 18046
2837 1 5 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.308 0.112 18046
2838 1 5 . 1 1 80 80 VAL C C 80 173.028 173.028 174.677 -1.649 18046
2839 1 5 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.709 -0.709 18046
2840 1 5 . 1 1 80 80 VAL CB C 80 35.400 35.400 33.887 1.513 18046
2841 1 5 . 1 1 80 80 VAL H H 80 9.608 9.608 8.224 1.384 18046
2842 1 5 . 1 1 81 81 LYS N N 81 123.854 123.854 122.559 1.295 18046
2843 1 5 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.641 -0.471 18046
2844 1 5 . 1 1 81 81 LYS C C 81 175.225 175.225 175.714 -0.489 18046
2845 1 5 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.639 0.461 18046
2846 1 5 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.390 -1.190 18046
2847 1 5 . 1 1 81 81 LYS H H 81 8.441 8.441 8.289 0.152 18046
2848 1 5 . 1 1 82 82 GLN N N 82 121.237 121.237 121.006 0.231 18046
2849 1 5 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.126 -0.166 18046
2850 1 5 . 1 1 82 82 GLN C C 82 177.016 177.016 176.541 0.475 18046
2851 1 5 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.757 -0.257 18046
2852 1 5 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.776 0.324 18046
2853 1 5 . 1 1 82 82 GLN H H 82 6.493 6.493 8.673 -2.180 18046
2854 1 5 . 1 1 83 83 GLY N N 83 118.629 118.629 114.091 4.538 18046
2855 1 5 . 1 1 83 83 GLY C C 83 174.491 174.491 172.870 1.621 18046
2856 1 5 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.374 1.026 18046
2857 1 5 . 1 1 83 83 GLY H H 83 10.072 10.072 8.385 1.687 18046
2858 1 5 . 1 1 84 84 PHE N N 84 120.834 120.834 119.773 1.061 18046
2859 1 5 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.624 0.286 18046
2860 1 5 . 1 1 84 84 PHE C C 84 177.056 177.056 174.308 2.748 18046
2861 1 5 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.350 -0.850 18046
2862 1 5 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.969 -2.269 18046
2863 1 5 . 1 1 84 84 PHE H H 84 8.431 8.431 7.293 1.138 18046
2864 1 5 . 1 1 85 85 GLU N N 85 125.174 125.174 126.022 -0.848 18046
2865 1 5 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.676 -0.566 18046
2866 1 5 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.591 4.289 18046
2867 1 5 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.390 -3.220 18046
2868 1 5 . 1 1 85 85 GLU H H 85 10.207 10.207 8.539 1.668 18046
2869 1 5 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.541 0.209 18046
2870 1 5 . 1 1 87 87 PRO C C 87 178.401 178.401 178.150 0.251 18046
2871 1 5 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.933 -0.433 18046
2872 1 5 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.980 -0.580 18046
2873 1 5 . 1 1 88 88 THR N N 88 107.088 107.088 112.105 -5.017 18046
2874 1 5 . 1 1 88 88 THR HA H 88 4.080 4.080 4.054 0.026 18046
2875 1 5 . 1 1 88 88 THR C C 88 174.325 174.325 175.622 -1.297 18046
2876 1 5 . 1 1 88 88 THR CA C 88 63.200 63.200 65.351 -2.151 18046
2877 1 5 . 1 1 88 88 THR CB C 88 68.300 68.300 68.447 -0.147 18046
2878 1 5 . 1 1 88 88 THR H H 88 7.316 7.316 8.269 -0.953 18046
2879 1 5 . 1 1 89 89 PHE N N 89 119.031 119.031 122.107 -3.076 18046
2880 1 5 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.957 -0.037 18046
2881 1 5 . 1 1 89 89 PHE C C 89 175.661 175.661 177.298 -1.637 18046
2882 1 5 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.888 -0.888 18046
2883 1 5 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.698 2.362 18046
2884 1 5 . 1 1 89 89 PHE H H 89 7.437 7.437 7.820 -0.383 18046
2885 1 5 . 1 1 90 90 THR N N 90 107.216 107.216 115.730 -8.514 18046
2886 1 5 . 1 1 90 90 THR HA H 90 3.210 3.210 3.214 -0.004 18046
2887 1 5 . 1 1 90 90 THR C C 90 177.340 177.340 176.715 0.625 18046
2888 1 5 . 1 1 90 90 THR CA C 90 65.000 65.000 67.242 -2.242 18046
2889 1 5 . 1 1 90 90 THR CB C 90 68.200 68.200 67.797 0.403 18046
2890 1 5 . 1 1 90 90 THR H H 90 7.675 7.675 7.897 -0.222 18046
2891 1 5 . 1 1 91 91 GLY N N 91 106.674 106.674 109.103 -2.429 18046
2892 1 5 . 1 1 91 91 GLY C C 91 174.591 174.591 174.597 -0.006 18046
2893 1 5 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.807 0.493 18046
2894 1 5 . 1 1 91 91 GLY H H 91 7.865 7.865 7.399 0.466 18046
2895 1 5 . 1 1 92 92 TRP N N 92 117.951 117.951 118.858 -0.907 18046
2896 1 5 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.289 0.201 18046
2897 1 5 . 1 1 92 92 TRP C C 92 174.042 174.042 176.458 -2.416 18046
2898 1 5 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.939 0.531 18046
2899 1 5 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.370 0.260 18046
2900 1 5 . 1 1 92 92 TRP H H 92 7.018 7.018 7.198 -0.180 18046
2901 1 5 . 1 1 93 93 PHE N N 93 118.863 118.863 116.025 2.838 18046
2902 1 5 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.239 0.371 18046
2903 1 5 . 1 1 93 93 PHE C C 93 175.872 175.872 177.055 -1.183 18046
2904 1 5 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.049 -0.149 18046
2905 1 5 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.838 0.962 18046
2906 1 5 . 1 1 93 93 PHE H H 93 7.956 7.956 7.650 0.306 18046
2907 1 5 . 1 1 94 94 MET N N 94 121.781 121.781 119.211 2.570 18046
2908 1 5 . 1 1 94 94 MET HA H 94 4.200 4.200 4.180 0.020 18046
2909 1 5 . 1 1 94 94 MET C C 94 175.794 175.794 176.000 -0.206 18046
2910 1 5 . 1 1 94 94 MET CA C 94 57.900 57.900 56.748 1.152 18046
2911 1 5 . 1 1 94 94 MET CB C 94 32.300 32.300 32.495 -0.195 18046
2912 1 5 . 1 1 94 94 MET H H 94 8.825 8.825 8.562 0.263 18046
2913 1 5 . 1 1 95 95 ALA N N 95 120.648 120.648 122.302 -1.654 18046
2914 1 5 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.416 0.024 18046
2915 1 5 . 1 1 95 95 ALA C C 95 175.600 175.600 176.578 -0.978 18046
2916 1 5 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.965 0.834 18046
2917 1 5 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.938 1.862 18046
2918 1 5 . 1 1 95 95 ALA H H 95 8.037 8.037 7.568 0.469 18046
2919 1 5 . 1 1 96 96 TRP N N 96 121.009 121.009 123.620 -2.611 18046
2920 1 5 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.351 -0.141 18046
2921 1 5 . 1 1 96 96 TRP C C 96 174.409 174.409 176.046 -1.637 18046
2922 1 5 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.747 0.053 18046
2923 1 5 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.911 0.589 18046
2924 1 5 . 1 1 96 96 TRP H H 96 8.481 8.481 8.383 0.098 18046
2925 1 5 . 1 1 97 97 ASP N N 97 128.963 128.963 121.094 7.869 18046
2926 1 5 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.090 0.000 18046
2927 1 5 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.907 -1.347 18046
2928 1 5 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.817 -0.287 18046
2929 1 5 . 1 1 97 97 ASP H H 97 8.850 8.850 8.847 0.003 18046
2930 1 5 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.384 0.126 18046
2931 1 5 . 1 1 98 98 PRO C C 98 177.169 177.169 177.277 -0.108 18046
2932 1 5 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.045 0.155 18046
2933 1 5 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.966 0.604 18046
2934 1 5 . 1 1 99 99 LEU N N 99 118.381 118.381 119.186 -0.805 18046
2935 1 5 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.452 0.078 18046
2936 1 5 . 1 1 99 99 LEU C C 99 177.338 177.338 178.150 -0.812 18046
2937 1 5 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.001 -0.451 18046
2938 1 5 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.394 -0.644 18046
2939 1 5 . 1 1 99 99 LEU H H 99 8.372 8.372 7.601 0.771 18046
2940 1 5 . 1 1 100 100 CYS N N 100 119.396 119.396 119.000 0.396 18046
2941 1 5 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.317 -0.707 18046
2942 1 5 . 1 1 100 100 CYS C C 100 174.820 174.820 175.855 -1.035 18046
2943 1 5 . 1 1 100 100 CYS CA C 100 61.500 61.500 60.836 0.664 18046
2944 1 5 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.369 0.931 18046
2945 1 5 . 1 1 100 100 CYS H H 100 7.052 7.052 7.852 -0.800 18046
2946 1 5 . 1 1 101 101 TRP N N 101 115.737 115.737 121.114 -5.377 18046
2947 1 5 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.636 0.144 18046
2948 1 5 . 1 1 101 101 TRP C C 101 176.485 176.485 176.000 0.485 18046
2949 1 5 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.233 1.667 18046
2950 1 5 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.144 -0.044 18046
2951 1 5 . 1 1 101 101 TRP H H 101 7.625 7.625 7.768 -0.143 18046
2952 1 5 . 1 1 102 102 SER N N 102 115.896 115.896 115.444 0.452 18046
2953 1 5 . 1 1 102 102 SER HA H 102 4.520 4.520 4.247 0.273 18046
2954 1 5 . 1 1 102 102 SER C C 102 174.333 174.333 175.716 -1.383 18046
2955 1 5 . 1 1 102 102 SER CA C 102 59.200 59.200 60.837 -1.637 18046
2956 1 5 . 1 1 102 102 SER CB C 102 64.100 64.100 63.001 1.099 18046
2957 1 5 . 1 1 102 102 SER H H 102 7.916 7.916 7.770 0.146 18046
2958 1 5 . 1 1 103 103 ASP N N 103 122.262 122.262 120.685 1.577 18046
2959 1 5 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.765 -0.105 18046
2960 1 5 . 1 1 103 103 ASP C C 103 176.129 176.129 178.361 -2.232 18046
2961 1 5 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.912 -1.212 18046
2962 1 5 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.225 -0.225 18046
2963 1 5 . 1 1 103 103 ASP H H 103 8.450 8.450 8.033 0.417 18046
2964 1 5 . 1 1 104 104 ARG N N 104 120.795 120.795 119.063 1.732 18046
2965 1 5 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.860 0.470 18046
2966 1 5 . 1 1 104 104 ARG C C 104 176.283 176.283 177.554 -1.271 18046
2967 1 5 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.246 -2.046 18046
2968 1 5 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.465 1.285 18046
2969 1 5 . 1 1 104 104 ARG H H 104 8.117 8.117 7.359 0.758 18046
2970 1 5 . 1 1 105 105 LYS N N 105 122.131 122.131 117.146 4.985 18046
2971 1 5 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.365 -0.020 18046
2972 1 5 . 1 1 105 105 LYS C C 105 176.284 176.284 176.808 -0.524 18046
2973 1 5 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.344 -0.044 18046
2974 1 5 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.124 -0.024 18046
2975 1 5 . 1 1 105 105 LYS H H 105 8.294 8.294 7.814 0.480 18046
2976 1 5 . 1 1 106 106 SER N N 106 116.993 116.993 115.018 1.975 18046
2977 1 5 . 1 1 106 106 SER HA H 106 4.470 4.470 4.357 0.113 18046
2978 1 5 . 1 1 106 106 SER CA C 106 58.300 58.300 58.961 -0.661 18046
2979 1 5 . 1 1 106 106 SER CB C 106 64.200 64.200 63.890 0.310 18046
2980 1 5 . 1 1 106 106 SER H H 106 8.235 8.235 7.680 0.555 18046
2981 1 6 . 1 1 2 2 ARG N N 2 117.203 117.203 118.085 -0.882 18046
2982 1 6 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.940 0.110 18046
2983 1 6 . 1 1 2 2 ARG C C 2 172.726 172.726 174.610 -1.884 18046
2984 1 6 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.451 0.749 18046
2985 1 6 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.433 -2.533 18046
2986 1 6 . 1 1 2 2 ARG H H 2 8.108 8.108 7.908 0.200 18046
2987 1 6 . 1 1 3 3 LEU N N 3 125.261 125.261 119.076 6.185 18046
2988 1 6 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.954 0.266 18046
2989 1 6 . 1 1 3 3 LEU C C 3 174.166 174.166 175.450 -1.284 18046
2990 1 6 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.145 -0.145 18046
2991 1 6 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.251 0.149 18046
2992 1 6 . 1 1 3 3 LEU H H 3 8.542 8.542 8.193 0.349 18046
2993 1 6 . 1 1 4 4 PHE N N 4 123.490 123.490 117.164 6.326 18046
2994 1 6 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.815 0.285 18046
2995 1 6 . 1 1 4 4 PHE C C 4 174.820 174.820 174.772 0.048 18046
2996 1 6 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.514 -1.224 18046
2997 1 6 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.795 0.555 18046
2998 1 6 . 1 1 4 4 PHE H H 4 9.591 9.591 8.724 0.867 18046
2999 1 6 . 1 1 5 5 GLU N N 5 125.718 125.718 124.356 1.362 18046
3000 1 6 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.926 -0.906 18046
3001 1 6 . 1 1 5 5 GLU C C 5 174.892 174.892 175.733 -0.841 18046
3002 1 6 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.313 -0.213 18046
3003 1 6 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.843 2.007 18046
3004 1 6 . 1 1 5 5 GLU H H 5 9.484 9.484 8.463 1.021 18046
3005 1 6 . 1 1 6 6 CYS N N 6 127.915 127.915 126.381 1.534 18046
3006 1 6 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.075 -0.055 18046
3007 1 6 . 1 1 6 6 CYS C C 6 172.378 172.378 173.854 -1.476 18046
3008 1 6 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.779 0.221 18046
3009 1 6 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.514 -0.214 18046
3010 1 6 . 1 1 6 6 CYS H H 6 8.937 8.937 8.273 0.664 18046
3011 1 6 . 1 1 7 7 SER N N 7 113.574 113.574 118.199 -4.625 18046
3012 1 6 . 1 1 7 7 SER HA H 7 5.420 5.420 4.907 0.513 18046
3013 1 6 . 1 1 7 7 SER C C 7 175.632 175.632 172.966 2.666 18046
3014 1 6 . 1 1 7 7 SER CA C 7 55.400 55.400 56.206 -0.805 18046
3015 1 6 . 1 1 7 7 SER CB C 7 65.900 65.900 65.440 0.460 18046
3016 1 6 . 1 1 7 7 SER H H 7 7.873 7.873 8.209 -0.336 18046
3017 1 6 . 1 1 8 8 ASN N N 8 126.153 126.153 121.630 4.523 18046
3018 1 6 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.109 0.531 18046
3019 1 6 . 1 1 8 8 ASN C C 8 178.392 178.392 175.477 2.915 18046
3020 1 6 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.660 -1.159 18046
3021 1 6 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.114 -1.014 18046
3022 1 6 . 1 1 8 8 ASN H H 8 10.299 10.299 8.888 1.411 18046
3023 1 6 . 1 1 9 9 LYS N N 9 123.420 123.420 123.662 -0.242 18046
3024 1 6 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.156 0.074 18046
3025 1 6 . 1 1 9 9 LYS C C 9 177.891 177.891 177.317 0.574 18046
3026 1 6 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.166 0.634 18046
3027 1 6 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.944 -1.044 18046
3028 1 6 . 1 1 9 9 LYS H H 9 9.064 9.064 8.486 0.578 18046
3029 1 6 . 1 1 10 10 THR N N 10 110.292 110.292 108.196 2.096 18046
3030 1 6 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046
3031 1 6 . 1 1 10 10 THR C C 10 175.392 175.392 175.796 -0.404 18046
3032 1 6 . 1 1 10 10 THR CA C 10 63.100 63.100 62.385 0.715 18046
3033 1 6 . 1 1 10 10 THR CB C 10 70.100 70.100 70.081 0.019 18046
3034 1 6 . 1 1 10 10 THR H H 10 8.525 8.525 7.922 0.603 18046
3035 1 6 . 1 1 11 11 GLY N N 11 110.668 110.668 110.193 0.475 18046
3036 1 6 . 1 1 11 11 GLY C C 11 172.867 172.867 173.647 -0.780 18046
3037 1 6 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.115 -0.416 18046
3038 1 6 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046
3039 1 6 . 1 1 12 12 ARG N N 12 118.170 118.170 120.278 -2.108 18046
3040 1 6 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046
3041 1 6 . 1 1 12 12 ARG C C 12 173.924 173.924 174.591 -0.667 18046
3042 1 6 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.740 -0.840 18046
3043 1 6 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.930 -0.130 18046
3044 1 6 . 1 1 12 12 ARG H H 12 7.538 7.538 7.831 -0.293 18046
3045 1 6 . 1 1 13 13 PHE N N 13 121.956 121.956 123.152 -1.196 18046
3046 1 6 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.614 -0.080 18046
3047 1 6 . 1 1 13 13 PHE C C 13 174.005 174.005 174.302 -0.297 18046
3048 1 6 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.540 1.960 18046
3049 1 6 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.925 -0.925 18046
3050 1 6 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046
3051 1 6 . 1 1 14 14 LEU N N 14 129.824 129.824 127.167 2.657 18046
3052 1 6 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.239 0.071 18046
3053 1 6 . 1 1 14 14 LEU C C 14 173.801 173.801 174.141 -0.340 18046
3054 1 6 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.899 1.301 18046
3055 1 6 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.066 1.534 18046
3056 1 6 . 1 1 14 14 LEU H H 14 8.114 8.114 7.328 0.786 18046
3057 1 6 . 1 1 15 15 ALA N N 15 125.201 125.201 125.661 -0.460 18046
3058 1 6 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.379 1.151 18046
3059 1 6 . 1 1 15 15 ALA C C 15 177.178 177.178 176.206 0.972 18046
3060 1 6 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.240 -1.440 18046
3061 1 6 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.537 0.263 18046
3062 1 6 . 1 1 15 15 ALA H H 15 8.234 8.234 8.198 0.036 18046
3063 1 6 . 1 1 16 16 THR N N 16 119.393 119.393 119.636 -0.243 18046
3064 1 6 . 1 1 16 16 THR HA H 16 4.654 4.654 4.481 0.173 18046
3065 1 6 . 1 1 16 16 THR C C 16 173.434 173.434 172.855 0.579 18046
3066 1 6 . 1 1 16 16 THR CA C 16 61.261 61.261 61.560 -0.299 18046
3067 1 6 . 1 1 16 16 THR CB C 16 71.500 71.500 71.648 -0.148 18046
3068 1 6 . 1 1 16 16 THR H H 16 9.149 9.149 8.032 1.117 18046
3069 1 6 . 1 1 17 17 GLU N N 17 128.928 128.928 125.548 3.380 18046
3070 1 6 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.430 -0.040 18046
3071 1 6 . 1 1 17 17 GLU C C 17 175.799 175.799 174.796 1.003 18046
3072 1 6 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.498 1.302 18046
3073 1 6 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.802 -1.402 18046
3074 1 6 . 1 1 17 17 GLU H H 17 9.269 9.269 8.600 0.669 18046
3075 1 6 . 1 1 18 18 ILE N N 18 129.185 129.185 126.237 2.948 18046
3076 1 6 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.062 0.328 18046
3077 1 6 . 1 1 18 18 ILE C C 18 176.202 176.202 174.736 1.466 18046
3078 1 6 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.521 1.179 18046
3079 1 6 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.925 -1.825 18046
3080 1 6 . 1 1 18 18 ILE H H 18 8.814 8.814 8.170 0.644 18046
3081 1 6 . 1 1 19 19 VAL N N 19 127.068 127.068 125.727 1.341 18046
3082 1 6 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.707 0.573 18046
3083 1 6 . 1 1 19 19 VAL C C 19 175.632 175.632 176.346 -0.714 18046
3084 1 6 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.923 -1.323 18046
3085 1 6 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.137 0.363 18046
3086 1 6 . 1 1 19 19 VAL H H 19 8.600 8.600 7.973 0.627 18046
3087 1 6 . 1 1 20 20 ASP N N 20 122.793 122.793 123.530 -0.737 18046
3088 1 6 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.117 0.173 18046
3089 1 6 . 1 1 20 20 ASP C C 20 175.742 175.742 175.198 0.544 18046
3090 1 6 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.355 -0.255 18046
3091 1 6 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.675 -0.675 18046
3092 1 6 . 1 1 20 20 ASP H H 20 9.037 9.037 8.304 0.733 18046
3093 1 6 . 1 1 21 21 PHE N N 21 113.443 113.443 123.360 -9.917 18046
3094 1 6 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.726 0.084 18046
3095 1 6 . 1 1 21 21 PHE C C 21 175.062 175.062 175.813 -0.751 18046
3096 1 6 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.528 0.672 18046
3097 1 6 . 1 1 21 21 PHE CB C 21 41.900 41.900 41.836 0.064 18046
3098 1 6 . 1 1 21 21 PHE H H 21 6.542 6.542 7.599 -1.057 18046
3099 1 6 . 1 1 22 22 THR N N 22 112.200 112.200 110.936 1.264 18046
3100 1 6 . 1 1 22 22 THR HA H 22 4.900 4.900 4.789 0.111 18046
3101 1 6 . 1 1 22 22 THR C C 22 175.307 175.307 175.744 -0.437 18046
3102 1 6 . 1 1 22 22 THR CA C 22 60.400 60.400 59.917 0.483 18046
3103 1 6 . 1 1 22 22 THR CB C 22 73.300 73.300 71.285 2.015 18046
3104 1 6 . 1 1 22 22 THR H H 22 9.640 9.640 7.925 1.715 18046
3105 1 6 . 1 1 23 23 GLN N N 23 122.406 122.406 120.114 2.292 18046
3106 1 6 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.074 -0.394 18046
3107 1 6 . 1 1 23 23 GLN C C 23 176.527 176.527 176.485 0.042 18046
3108 1 6 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.468 0.532 18046
3109 1 6 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.360 -0.760 18046
3110 1 6 . 1 1 23 23 GLN H H 23 9.766 9.766 8.515 1.251 18046
3111 1 6 . 1 1 24 24 ASP N N 24 114.153 114.153 119.558 -5.405 18046
3112 1 6 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.467 -0.367 18046
3113 1 6 . 1 1 24 24 ASP C C 24 176.528 176.528 177.526 -0.998 18046
3114 1 6 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.899 -0.999 18046
3115 1 6 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.499 0.261 18046
3116 1 6 . 1 1 24 24 ASP H H 24 7.760 7.760 7.831 -0.071 18046
3117 1 6 . 1 1 25 25 ASP N N 25 116.379 116.379 117.357 -0.978 18046
3118 1 6 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.783 -0.243 18046
3119 1 6 . 1 1 25 25 ASP C C 25 175.059 175.059 176.226 -1.167 18046
3120 1 6 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.721 1.479 18046
3121 1 6 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.971 0.529 18046
3122 1 6 . 1 1 25 25 ASP H H 25 7.655 7.655 7.926 -0.271 18046
3123 1 6 . 1 1 26 26 LEU N N 26 118.095 118.095 122.698 -4.603 18046
3124 1 6 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.187 -0.907 18046
3125 1 6 . 1 1 26 26 LEU C C 26 174.177 174.177 176.361 -2.184 18046
3126 1 6 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.511 -1.611 18046
3127 1 6 . 1 1 26 26 LEU CB C 26 39.300 39.300 42.077 -2.777 18046
3128 1 6 . 1 1 26 26 LEU H H 26 7.309 7.309 7.174 0.135 18046
3129 1 6 . 1 1 27 27 ASP N N 27 127.757 127.757 126.256 1.501 18046
3130 1 6 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.625 0.175 18046
3131 1 6 . 1 1 27 27 ASP C C 27 177.178 177.178 177.191 -0.013 18046
3132 1 6 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.242 -0.743 18046
3133 1 6 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.831 1.669 18046
3134 1 6 . 1 1 27 27 ASP H H 27 8.612 8.612 8.382 0.230 18046
3135 1 6 . 1 1 28 28 GLU N N 28 124.674 124.674 119.914 4.760 18046
3136 1 6 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.164 0.226 18046
3137 1 6 . 1 1 28 28 GLU C C 28 175.019 175.019 176.267 -1.248 18046
3138 1 6 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.287 -1.587 18046
3139 1 6 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.331 -0.731 18046
3140 1 6 . 1 1 28 28 GLU H H 28 8.632 8.632 8.843 -0.211 18046
3141 1 6 . 1 1 29 29 ASN N N 29 115.882 115.882 117.904 -2.022 18046
3142 1 6 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.034 -0.404 18046
3143 1 6 . 1 1 29 29 ASN C C 29 175.382 175.382 173.553 1.829 18046
3144 1 6 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.865 -0.065 18046
3145 1 6 . 1 1 29 29 ASN CB C 29 40.000 40.000 40.172 -0.172 18046
3146 1 6 . 1 1 29 29 ASN H H 29 9.360 9.360 8.329 1.031 18046
3147 1 6 . 1 1 30 30 ASP N N 30 127.013 127.013 121.682 5.331 18046
3148 1 6 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.727 0.823 18046
3149 1 6 . 1 1 30 30 ASP C C 30 172.009 172.009 174.486 -2.477 18046
3150 1 6 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.267 0.933 18046
3151 1 6 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.071 -0.271 18046
3152 1 6 . 1 1 30 30 ASP H H 30 8.710 8.710 7.946 0.764 18046
3153 1 6 . 1 1 31 31 VAL N N 31 112.784 112.784 120.496 -7.712 18046
3154 1 6 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.159 1.241 18046
3155 1 6 . 1 1 31 31 VAL C C 31 173.273 173.273 175.088 -1.815 18046
3156 1 6 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.014 -2.014 18046
3157 1 6 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.359 3.441 18046
3158 1 6 . 1 1 31 31 VAL H H 31 7.364 7.364 8.347 -0.983 18046
3159 1 6 . 1 1 32 32 TYR N N 32 120.917 120.917 126.251 -5.334 18046
3160 1 6 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.430 0.240 18046
3161 1 6 . 1 1 32 32 TYR C C 32 174.735 174.735 175.285 -0.550 18046
3162 1 6 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.216 1.584 18046
3163 1 6 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.212 1.888 18046
3164 1 6 . 1 1 32 32 TYR H H 32 9.698 9.698 7.876 1.822 18046
3165 1 6 . 1 1 33 33 LEU N N 33 119.790 119.790 120.403 -0.613 18046
3166 1 6 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.715 0.995 18046
3167 1 6 . 1 1 33 33 LEU C C 33 175.551 175.551 175.336 0.215 18046
3168 1 6 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.853 -2.373 18046
3169 1 6 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.931 -0.646 18046
3170 1 6 . 1 1 33 33 LEU H H 33 9.111 9.111 8.765 0.346 18046
3171 1 6 . 1 1 34 34 LEU N N 34 125.829 125.829 127.432 -1.603 18046
3172 1 6 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.248 0.162 18046
3173 1 6 . 1 1 34 34 LEU C C 34 174.819 174.819 174.954 -0.135 18046
3174 1 6 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.315 0.005 18046
3175 1 6 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.118 -0.538 18046
3176 1 6 . 1 1 34 34 LEU H H 34 9.847 9.847 8.323 1.524 18046
3177 1 6 . 1 1 35 35 ASP N N 35 126.739 126.739 128.670 -1.931 18046
3178 1 6 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.951 0.189 18046
3179 1 6 . 1 1 35 35 ASP C C 35 176.690 176.690 175.668 1.022 18046
3180 1 6 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.556 -0.956 18046
3181 1 6 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.749 1.451 18046
3182 1 6 . 1 1 35 35 ASP H H 35 9.740 9.740 8.628 1.112 18046
3183 1 6 . 1 1 36 36 THR N N 36 118.603 118.603 114.446 4.157 18046
3184 1 6 . 1 1 36 36 THR HA H 36 4.290 4.290 4.191 0.099 18046
3185 1 6 . 1 1 36 36 THR C C 36 175.471 175.471 174.538 0.933 18046
3186 1 6 . 1 1 36 36 THR CA C 36 60.800 60.800 59.621 1.179 18046
3187 1 6 . 1 1 36 36 THR CB C 36 68.500 68.500 70.336 -1.836 18046
3188 1 6 . 1 1 36 36 THR H H 36 8.596 8.596 7.710 0.886 18046
3189 1 6 . 1 1 37 37 TRP N N 37 122.021 122.021 122.108 -0.087 18046
3190 1 6 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.424 -0.374 18046
3191 1 6 . 1 1 37 37 TRP C C 37 177.341 177.341 177.549 -0.208 18046
3192 1 6 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.914 2.886 18046
3193 1 6 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.391 -0.391 18046
3194 1 6 . 1 1 37 37 TRP H H 37 9.090 9.090 8.207 0.883 18046
3195 1 6 . 1 1 38 38 ASP N N 38 117.786 117.786 116.813 0.973 18046
3196 1 6 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.345 0.045 18046
3197 1 6 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.197 -0.197 18046
3198 1 6 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.361 -0.061 18046
3199 1 6 . 1 1 38 38 ASP H H 38 8.676 8.676 8.192 0.484 18046
3200 1 6 . 1 1 39 39 GLN N N 39 110.693 110.693 114.495 -3.802 18046
3201 1 6 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.487 0.003 18046
3202 1 6 . 1 1 39 39 GLN C C 39 173.398 173.398 174.534 -1.136 18046
3203 1 6 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.389 -0.589 18046
3204 1 6 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.507 0.693 18046
3205 1 6 . 1 1 39 39 GLN H H 39 7.325 7.325 7.716 -0.391 18046
3206 1 6 . 1 1 40 40 ILE N N 40 120.287 120.287 122.266 -1.979 18046
3207 1 6 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.603 0.377 18046
3208 1 6 . 1 1 40 40 ILE C C 40 175.143 175.143 175.773 -0.630 18046
3209 1 6 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.945 -1.845 18046
3210 1 6 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.708 0.993 18046
3211 1 6 . 1 1 40 40 ILE H H 40 8.663 8.663 8.594 0.069 18046
3212 1 6 . 1 1 41 41 PHE N N 41 124.653 124.653 126.494 -1.841 18046
3213 1 6 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.875 0.615 18046
3214 1 6 . 1 1 41 41 PHE C C 41 174.167 174.167 175.275 -1.108 18046
3215 1 6 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.458 -0.058 18046
3216 1 6 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.323 1.877 18046
3217 1 6 . 1 1 41 41 PHE H H 41 9.555 9.555 9.305 0.250 18046
3218 1 6 . 1 1 42 42 PHE N N 42 128.681 128.681 125.304 3.377 18046
3219 1 6 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.955 0.625 18046
3220 1 6 . 1 1 42 42 PHE C C 42 172.940 172.940 174.859 -1.919 18046
3221 1 6 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.757 -1.057 18046
3222 1 6 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.969 2.031 18046
3223 1 6 . 1 1 42 42 PHE H H 42 9.647 9.647 8.380 1.267 18046
3224 1 6 . 1 1 43 43 TRP N N 43 128.634 128.634 125.976 2.658 18046
3225 1 6 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.821 0.459 18046
3226 1 6 . 1 1 43 43 TRP C C 43 175.877 175.877 174.750 1.127 18046
3227 1 6 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.627 1.373 18046
3228 1 6 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.829 2.371 18046
3229 1 6 . 1 1 43 43 TRP H H 43 9.997 9.997 8.841 1.156 18046
3230 1 6 . 1 1 44 44 ILE N N 44 126.166 126.166 126.253 -0.087 18046
3231 1 6 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.478 -0.328 18046
3232 1 6 . 1 1 44 44 ILE C C 44 175.190 175.190 175.557 -0.367 18046
3233 1 6 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.390 0.110 18046
3234 1 6 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.116 0.184 18046
3235 1 6 . 1 1 44 44 ILE H H 44 8.359 8.359 7.849 0.510 18046
3236 1 6 . 1 1 45 45 GLY N N 45 119.260 119.260 113.935 5.325 18046
3237 1 6 . 1 1 45 45 GLY C C 45 176.163 176.163 174.192 1.971 18046
3238 1 6 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.798 1.802 18046
3239 1 6 . 1 1 45 45 GLY H H 45 7.603 7.603 8.144 -0.541 18046
3240 1 6 . 1 1 46 46 LYS N N 46 124.868 124.868 119.386 5.482 18046
3241 1 6 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.395 -0.325 18046
3242 1 6 . 1 1 46 46 LYS C C 46 177.700 177.700 177.566 0.134 18046
3243 1 6 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.825 1.375 18046
3244 1 6 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.212 -0.812 18046
3245 1 6 . 1 1 46 46 LYS H H 46 9.104 9.104 8.203 0.901 18046
3246 1 6 . 1 1 47 47 GLY N N 47 106.230 106.230 107.241 -1.011 18046
3247 1 6 . 1 1 47 47 GLY C C 47 175.326 175.326 174.140 1.186 18046
3248 1 6 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.159 -0.959 18046
3249 1 6 . 1 1 47 47 GLY H H 47 8.954 8.954 8.012 0.942 18046
3250 1 6 . 1 1 48 48 ALA N N 48 125.925 125.925 123.252 2.673 18046
3251 1 6 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.189 0.431 18046
3252 1 6 . 1 1 48 48 ALA C C 48 177.829 177.829 177.609 0.220 18046
3253 1 6 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.228 0.472 18046
3254 1 6 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.561 1.339 18046
3255 1 6 . 1 1 48 48 ALA H H 48 7.484 7.484 7.846 -0.362 18046
3256 1 6 . 1 1 49 49 ASN N N 49 119.683 119.683 123.848 -4.165 18046
3257 1 6 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.570 0.530 18046
3258 1 6 . 1 1 49 49 ASN C C 49 175.874 175.874 176.979 -1.105 18046
3259 1 6 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.666 -2.067 18046
3260 1 6 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.479 1.521 18046
3261 1 6 . 1 1 49 49 ASN H H 49 8.921 8.921 8.307 0.614 18046
3262 1 6 . 1 1 50 50 GLU N N 50 118.057 118.057 121.357 -3.300 18046
3263 1 6 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.114 -0.114 18046
3264 1 6 . 1 1 50 50 GLU C C 50 178.722 178.722 178.541 0.181 18046
3265 1 6 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.464 0.136 18046
3266 1 6 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.690 -0.090 18046
3267 1 6 . 1 1 50 50 GLU H H 50 8.828 8.828 9.010 -0.182 18046
3268 1 6 . 1 1 51 51 SER N N 51 115.397 115.397 115.163 0.234 18046
3269 1 6 . 1 1 51 51 SER HA H 51 4.350 4.350 4.157 0.193 18046
3270 1 6 . 1 1 51 51 SER C C 51 177.932 177.932 176.250 1.682 18046
3271 1 6 . 1 1 51 51 SER CA C 51 61.800 61.800 61.369 0.431 18046
3272 1 6 . 1 1 51 51 SER CB C 51 62.700 62.700 63.038 -0.338 18046
3273 1 6 . 1 1 51 51 SER H H 51 8.401 8.401 8.296 0.105 18046
3274 1 6 . 1 1 52 52 GLU N N 52 122.271 122.271 121.691 0.580 18046
3275 1 6 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.086 0.014 18046
3276 1 6 . 1 1 52 52 GLU C C 52 177.665 177.665 178.415 -0.750 18046
3277 1 6 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.654 -0.454 18046
3278 1 6 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.026 -0.626 18046
3279 1 6 . 1 1 52 52 GLU H H 52 8.566 8.566 8.311 0.255 18046
3280 1 6 . 1 1 53 53 LYS N N 53 119.319 119.319 118.384 0.935 18046
3281 1 6 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.934 0.106 18046
3282 1 6 . 1 1 53 53 LYS C C 53 178.727 178.727 178.496 0.231 18046
3283 1 6 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.219 1.681 18046
3284 1 6 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.190 0.410 18046
3285 1 6 . 1 1 53 53 LYS H H 53 7.704 7.704 7.539 0.165 18046
3286 1 6 . 1 1 54 54 GLU N N 54 119.268 119.268 118.922 0.346 18046
3287 1 6 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.126 -0.066 18046
3288 1 6 . 1 1 54 54 GLU C C 54 179.211 179.211 178.332 0.879 18046
3289 1 6 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.035 0.465 18046
3290 1 6 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.701 0.199 18046
3291 1 6 . 1 1 54 54 GLU H H 54 8.173 8.173 7.311 0.862 18046
3292 1 6 . 1 1 55 55 ALA N N 55 121.311 121.311 121.955 -0.644 18046
3293 1 6 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.822 0.128 18046
3294 1 6 . 1 1 55 55 ALA C C 55 180.920 180.920 179.355 1.565 18046
3295 1 6 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.713 -0.213 18046
3296 1 6 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.162 -1.362 18046
3297 1 6 . 1 1 55 55 ALA H H 55 7.954 7.954 8.353 -0.399 18046
3298 1 6 . 1 1 56 56 ALA N N 56 123.395 123.395 119.473 3.922 18046
3299 1 6 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.163 -0.143 18046
3300 1 6 . 1 1 56 56 ALA C C 56 178.383 178.383 178.958 -0.575 18046
3301 1 6 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.603 0.797 18046
3302 1 6 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.323 1.277 18046
3303 1 6 . 1 1 56 56 ALA H H 56 8.393 8.393 8.129 0.264 18046
3304 1 6 . 1 1 57 57 ALA N N 57 120.754 120.754 120.767 -0.013 18046
3305 1 6 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.986 -0.066 18046
3306 1 6 . 1 1 57 57 ALA C C 57 180.433 180.433 179.955 0.478 18046
3307 1 6 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.742 0.958 18046
3308 1 6 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.373 -0.673 18046
3309 1 6 . 1 1 57 57 ALA H H 57 7.690 7.690 7.354 0.336 18046
3310 1 6 . 1 1 58 58 GLU N N 58 118.337 118.337 118.728 -0.391 18046
3311 1 6 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.113 -0.013 18046
3312 1 6 . 1 1 58 58 GLU C C 58 179.210 179.210 179.070 0.140 18046
3313 1 6 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.309 -0.109 18046
3314 1 6 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.792 -0.492 18046
3315 1 6 . 1 1 58 58 GLU H H 58 7.423 7.423 7.787 -0.364 18046
3316 1 6 . 1 1 59 59 THR N N 59 118.744 118.744 115.530 3.214 18046
3317 1 6 . 1 1 59 59 THR HA H 59 3.860 3.860 4.020 -0.160 18046
3318 1 6 . 1 1 59 59 THR C C 59 175.722 175.722 175.990 -0.268 18046
3319 1 6 . 1 1 59 59 THR CA C 59 67.420 67.420 66.271 1.149 18046
3320 1 6 . 1 1 59 59 THR CB C 59 68.590 68.590 68.396 0.194 18046
3321 1 6 . 1 1 59 59 THR H H 59 8.354 8.354 8.420 -0.066 18046
3322 1 6 . 1 1 60 60 ALA N N 60 122.991 122.991 122.560 0.431 18046
3323 1 6 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.747 -0.017 18046
3324 1 6 . 1 1 60 60 ALA C C 60 178.155 178.155 179.133 -0.978 18046
3325 1 6 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.767 0.933 18046
3326 1 6 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.022 -0.222 18046
3327 1 6 . 1 1 60 60 ALA H H 60 8.294 8.294 7.433 0.861 18046
3328 1 6 . 1 1 61 61 GLN N N 61 113.649 113.649 117.743 -4.094 18046
3329 1 6 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.941 0.049 18046
3330 1 6 . 1 1 61 61 GLN C C 61 178.640 178.640 178.498 0.142 18046
3331 1 6 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.325 -0.405 18046
3332 1 6 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.158 0.302 18046
3333 1 6 . 1 1 61 61 GLN H H 61 7.215 7.215 7.800 -0.585 18046
3334 1 6 . 1 1 62 62 GLU N N 62 120.684 120.684 118.540 2.144 18046
3335 1 6 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.025 0.015 18046
3336 1 6 . 1 1 62 62 GLU C C 62 179.047 179.047 178.411 0.636 18046
3337 1 6 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.061 0.139 18046
3338 1 6 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.491 -0.191 18046
3339 1 6 . 1 1 62 62 GLU H H 62 8.126 8.126 7.750 0.376 18046
3340 1 6 . 1 1 63 63 TYR N N 63 122.118 122.118 119.417 2.701 18046
3341 1 6 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.275 -0.045 18046
3342 1 6 . 1 1 63 63 TYR C C 63 178.643 178.643 177.504 1.139 18046
3343 1 6 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.787 -0.687 18046
3344 1 6 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.021 -1.221 18046
3345 1 6 . 1 1 63 63 TYR H H 63 8.796 8.796 7.697 1.099 18046
3346 1 6 . 1 1 64 64 LEU N N 64 119.163 119.163 119.852 -0.689 18046
3347 1 6 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.056 -0.376 18046
3348 1 6 . 1 1 64 64 LEU C C 64 178.475 178.475 179.285 -0.810 18046
3349 1 6 . 1 1 64 64 LEU CA C 64 58.000 58.000 57.952 0.048 18046
3350 1 6 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.352 2.147 18046
3351 1 6 . 1 1 64 64 LEU H H 64 7.799 7.799 7.864 -0.065 18046
3352 1 6 . 1 1 65 65 ARG N N 65 116.868 116.868 119.306 -2.438 18046
3353 1 6 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.010 0.060 18046
3354 1 6 . 1 1 65 65 ARG C C 65 177.464 177.464 178.041 -0.577 18046
3355 1 6 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.178 0.422 18046
3356 1 6 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.493 1.307 18046
3357 1 6 . 1 1 65 65 ARG H H 65 7.842 7.842 7.756 0.086 18046
3358 1 6 . 1 1 66 66 SER N N 66 112.527 112.527 114.281 -1.754 18046
3359 1 6 . 1 1 66 66 SER HA H 66 4.360 4.360 4.066 0.294 18046
3360 1 6 . 1 1 66 66 SER C C 66 174.087 174.087 174.764 -0.677 18046
3361 1 6 . 1 1 66 66 SER CA C 66 59.440 59.440 60.417 -0.977 18046
3362 1 6 . 1 1 66 66 SER CB C 66 64.120 64.120 63.444 0.676 18046
3363 1 6 . 1 1 66 66 SER H H 66 7.907 7.907 7.823 0.084 18046
3364 1 6 . 1 1 67 67 HIS N N 67 123.090 123.090 122.624 0.466 18046
3365 1 6 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.947 -0.287 18046
3366 1 6 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.437 1.963 18046
3367 1 6 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.437 -0.837 18046
3368 1 6 . 1 1 67 67 HIS H H 67 7.515 7.515 7.857 -0.342 18046
3369 1 6 . 1 1 68 68 PRO C C 68 176.365 176.365 176.916 -0.551 18046
3370 1 6 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.826 5.534 18046
3371 1 6 . 1 1 69 69 GLY N N 69 124.202 124.202 106.389 17.813 18046
3372 1 6 . 1 1 69 69 GLY C C 69 174.331 174.331 174.420 -0.089 18046
3373 1 6 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.513 1.187 18046
3374 1 6 . 1 1 69 69 GLY H H 69 8.166 8.166 8.067 0.099 18046
3375 1 6 . 1 1 70 70 SER N N 70 115.467 115.467 114.402 1.065 18046
3376 1 6 . 1 1 70 70 SER HA H 70 4.450 4.450 4.646 -0.196 18046
3377 1 6 . 1 1 70 70 SER C C 70 174.329 174.329 175.180 -0.851 18046
3378 1 6 . 1 1 70 70 SER CA C 70 58.640 58.640 58.927 -0.287 18046
3379 1 6 . 1 1 70 70 SER CB C 70 63.040 63.040 63.892 -0.852 18046
3380 1 6 . 1 1 70 70 SER H H 70 8.280 8.280 8.517 -0.237 18046
3381 1 6 . 1 1 71 71 ARG N N 71 120.585 120.585 120.640 -0.055 18046
3382 1 6 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.331 -0.101 18046
3383 1 6 . 1 1 71 71 ARG C C 71 175.793 175.793 175.432 0.361 18046
3384 1 6 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.577 -1.476 18046
3385 1 6 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.193 1.207 18046
3386 1 6 . 1 1 71 71 ARG H H 71 8.341 8.341 8.071 0.270 18046
3387 1 6 . 1 1 72 72 ASP N N 72 120.258 120.258 116.961 3.297 18046
3388 1 6 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.760 -0.320 18046
3389 1 6 . 1 1 72 72 ASP C C 72 178.038 178.038 176.497 1.541 18046
3390 1 6 . 1 1 72 72 ASP CA C 72 54.530 54.530 55.007 -0.477 18046
3391 1 6 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.958 -1.188 18046
3392 1 6 . 1 1 72 72 ASP H H 72 8.471 8.471 8.273 0.198 18046
3393 1 6 . 1 1 73 73 LEU N N 73 127.518 127.518 119.244 8.274 18046
3394 1 6 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.213 -0.123 18046
3395 1 6 . 1 1 73 73 LEU C C 73 177.417 177.417 177.950 -0.533 18046
3396 1 6 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.940 0.060 18046
3397 1 6 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.631 -1.631 18046
3398 1 6 . 1 1 73 73 LEU H H 73 8.826 8.826 7.360 1.466 18046
3399 1 6 . 1 1 74 74 ASP N N 74 117.787 117.787 118.128 -0.341 18046
3400 1 6 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.474 0.266 18046
3401 1 6 . 1 1 74 74 ASP C C 74 175.765 175.765 176.353 -0.588 18046
3402 1 6 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.068 -2.168 18046
3403 1 6 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.848 -0.378 18046
3404 1 6 . 1 1 74 74 ASP H H 74 8.480 8.480 8.254 0.226 18046
3405 1 6 . 1 1 75 75 THR N N 75 119.682 119.682 115.468 4.214 18046
3406 1 6 . 1 1 75 75 THR HA H 75 4.210 4.210 4.628 -0.418 18046
3407 1 6 . 1 1 75 75 THR CA C 75 62.440 62.440 59.212 3.228 18046
3408 1 6 . 1 1 75 75 THR CB C 75 70.940 70.940 69.502 1.438 18046
3409 1 6 . 1 1 75 75 THR H H 75 7.303 7.303 7.651 -0.348 18046
3410 1 6 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.419 -0.179 18046
3411 1 6 . 1 1 76 76 PRO C C 76 174.823 174.823 176.169 -1.346 18046
3412 1 6 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.257 1.343 18046
3413 1 6 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.322 0.778 18046
3414 1 6 . 1 1 77 77 ILE N N 77 121.906 121.906 119.331 2.575 18046
3415 1 6 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.742 1.248 18046
3416 1 6 . 1 1 77 77 ILE C C 77 176.571 176.571 176.669 -0.098 18046
3417 1 6 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.387 -1.887 18046
3418 1 6 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.344 -0.245 18046
3419 1 6 . 1 1 77 77 ILE H H 77 8.052 8.052 7.951 0.101 18046
3420 1 6 . 1 1 78 78 ILE N N 78 130.054 130.054 129.304 0.750 18046
3421 1 6 . 1 1 78 78 ILE HA H 78 4.300 4.300 3.973 0.327 18046
3422 1 6 . 1 1 78 78 ILE C C 78 175.471 175.471 175.238 0.233 18046
3423 1 6 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.860 -1.060 18046
3424 1 6 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.130 2.170 18046
3425 1 6 . 1 1 78 78 ILE H H 78 8.977 8.977 8.206 0.771 18046
3426 1 6 . 1 1 79 79 VAL N N 79 130.072 130.072 128.745 1.327 18046
3427 1 6 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.981 0.709 18046
3428 1 6 . 1 1 79 79 VAL C C 79 176.024 176.024 176.109 -0.085 18046
3429 1 6 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.158 0.742 18046
3430 1 6 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.135 -0.435 18046
3431 1 6 . 1 1 79 79 VAL H H 79 8.872 8.872 8.108 0.764 18046
3432 1 6 . 1 1 80 80 VAL N N 80 129.055 129.055 127.099 1.956 18046
3433 1 6 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.245 0.175 18046
3434 1 6 . 1 1 80 80 VAL C C 80 173.028 173.028 174.468 -1.440 18046
3435 1 6 . 1 1 80 80 VAL CA C 80 60.000 60.000 61.011 -1.011 18046
3436 1 6 . 1 1 80 80 VAL CB C 80 35.400 35.400 35.093 0.307 18046
3437 1 6 . 1 1 80 80 VAL H H 80 9.608 9.608 8.297 1.311 18046
3438 1 6 . 1 1 81 81 LYS N N 81 123.854 123.854 123.908 -0.054 18046
3439 1 6 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.621 -0.451 18046
3440 1 6 . 1 1 81 81 LYS C C 81 175.225 175.225 175.992 -0.767 18046
3441 1 6 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.836 0.264 18046
3442 1 6 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.658 -0.459 18046
3443 1 6 . 1 1 81 81 LYS H H 81 8.441 8.441 8.348 0.093 18046
3444 1 6 . 1 1 82 82 GLN N N 82 121.237 121.237 120.836 0.401 18046
3445 1 6 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.101 -0.141 18046
3446 1 6 . 1 1 82 82 GLN C C 82 177.016 177.016 176.488 0.528 18046
3447 1 6 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.705 -0.204 18046
3448 1 6 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.812 0.288 18046
3449 1 6 . 1 1 82 82 GLN H H 82 6.493 6.493 8.640 -2.147 18046
3450 1 6 . 1 1 83 83 GLY N N 83 118.629 118.629 114.019 4.610 18046
3451 1 6 . 1 1 83 83 GLY C C 83 174.491 174.491 172.902 1.589 18046
3452 1 6 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.361 1.039 18046
3453 1 6 . 1 1 83 83 GLY H H 83 10.072 10.072 8.384 1.688 18046
3454 1 6 . 1 1 84 84 PHE N N 84 120.834 120.834 120.147 0.687 18046
3455 1 6 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.625 0.285 18046
3456 1 6 . 1 1 84 84 PHE C C 84 177.056 177.056 174.292 2.764 18046
3457 1 6 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.259 -0.759 18046
3458 1 6 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.879 -2.179 18046
3459 1 6 . 1 1 84 84 PHE H H 84 8.431 8.431 7.249 1.182 18046
3460 1 6 . 1 1 85 85 GLU N N 85 125.174 125.174 125.186 -0.012 18046
3461 1 6 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.826 -0.716 18046
3462 1 6 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.662 4.218 18046
3463 1 6 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.476 -3.305 18046
3464 1 6 . 1 1 85 85 GLU H H 85 10.207 10.207 8.541 1.666 18046
3465 1 6 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.471 0.279 18046
3466 1 6 . 1 1 87 87 PRO C C 87 178.401 178.401 177.988 0.413 18046
3467 1 6 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.931 -0.431 18046
3468 1 6 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.911 -0.511 18046
3469 1 6 . 1 1 88 88 THR N N 88 107.088 107.088 112.376 -5.288 18046
3470 1 6 . 1 1 88 88 THR HA H 88 4.080 4.080 4.016 0.064 18046
3471 1 6 . 1 1 88 88 THR C C 88 174.325 174.325 175.688 -1.363 18046
3472 1 6 . 1 1 88 88 THR CA C 88 63.200 63.200 65.021 -1.821 18046
3473 1 6 . 1 1 88 88 THR CB C 88 68.300 68.300 68.126 0.174 18046
3474 1 6 . 1 1 88 88 THR H H 88 7.316 7.316 8.135 -0.819 18046
3475 1 6 . 1 1 89 89 PHE N N 89 119.031 119.031 122.249 -3.218 18046
3476 1 6 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.931 -0.011 18046
3477 1 6 . 1 1 89 89 PHE C C 89 175.661 175.661 177.239 -1.578 18046
3478 1 6 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.789 -0.789 18046
3479 1 6 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.677 2.383 18046
3480 1 6 . 1 1 89 89 PHE H H 89 7.437 7.437 7.816 -0.379 18046
3481 1 6 . 1 1 90 90 THR N N 90 107.216 107.216 116.678 -9.462 18046
3482 1 6 . 1 1 90 90 THR HA H 90 3.210 3.210 3.241 -0.031 18046
3483 1 6 . 1 1 90 90 THR C C 90 177.340 177.340 177.013 0.327 18046
3484 1 6 . 1 1 90 90 THR CA C 90 65.000 65.000 67.221 -2.221 18046
3485 1 6 . 1 1 90 90 THR CB C 90 68.200 68.200 67.744 0.456 18046
3486 1 6 . 1 1 90 90 THR H H 90 7.675 7.675 7.937 -0.262 18046
3487 1 6 . 1 1 91 91 GLY N N 91 106.674 106.674 109.006 -2.332 18046
3488 1 6 . 1 1 91 91 GLY C C 91 174.591 174.591 174.733 -0.142 18046
3489 1 6 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.718 0.582 18046
3490 1 6 . 1 1 91 91 GLY H H 91 7.865 7.865 7.460 0.405 18046
3491 1 6 . 1 1 92 92 TRP N N 92 117.951 117.951 118.805 -0.854 18046
3492 1 6 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.301 0.189 18046
3493 1 6 . 1 1 92 92 TRP C C 92 174.042 174.042 176.433 -2.391 18046
3494 1 6 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.970 0.500 18046
3495 1 6 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.365 0.265 18046
3496 1 6 . 1 1 92 92 TRP H H 92 7.018 7.018 7.180 -0.162 18046
3497 1 6 . 1 1 93 93 PHE N N 93 118.863 118.863 115.798 3.065 18046
3498 1 6 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.200 0.410 18046
3499 1 6 . 1 1 93 93 PHE C C 93 175.872 175.872 176.906 -1.034 18046
3500 1 6 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.922 -0.022 18046
3501 1 6 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.968 0.832 18046
3502 1 6 . 1 1 93 93 PHE H H 93 7.956 7.956 7.612 0.344 18046
3503 1 6 . 1 1 94 94 MET N N 94 121.781 121.781 118.914 2.867 18046
3504 1 6 . 1 1 94 94 MET HA H 94 4.200 4.200 4.156 0.044 18046
3505 1 6 . 1 1 94 94 MET C C 94 175.794 175.794 175.952 -0.158 18046
3506 1 6 . 1 1 94 94 MET CA C 94 57.900 57.900 56.792 1.108 18046
3507 1 6 . 1 1 94 94 MET CB C 94 32.300 32.300 32.524 -0.224 18046
3508 1 6 . 1 1 94 94 MET H H 94 8.825 8.825 8.615 0.210 18046
3509 1 6 . 1 1 95 95 ALA N N 95 120.648 120.648 122.257 -1.609 18046
3510 1 6 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.417 0.023 18046
3511 1 6 . 1 1 95 95 ALA C C 95 175.600 175.600 176.560 -0.960 18046
3512 1 6 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.926 0.874 18046
3513 1 6 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.911 1.889 18046
3514 1 6 . 1 1 95 95 ALA H H 95 8.037 8.037 7.555 0.482 18046
3515 1 6 . 1 1 96 96 TRP N N 96 121.009 121.009 123.658 -2.649 18046
3516 1 6 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.368 -0.158 18046
3517 1 6 . 1 1 96 96 TRP C C 96 174.409 174.409 176.097 -1.688 18046
3518 1 6 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.778 0.022 18046
3519 1 6 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.942 0.558 18046
3520 1 6 . 1 1 96 96 TRP H H 96 8.481 8.481 8.390 0.091 18046
3521 1 6 . 1 1 97 97 ASP N N 97 128.963 128.963 120.823 8.140 18046
3522 1 6 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.149 -0.059 18046
3523 1 6 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.829 -1.269 18046
3524 1 6 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.392 -0.862 18046
3525 1 6 . 1 1 97 97 ASP H H 97 8.850 8.850 8.907 -0.057 18046
3526 1 6 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.530 -0.020 18046
3527 1 6 . 1 1 98 98 PRO C C 98 177.169 177.169 177.291 -0.122 18046
3528 1 6 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.288 -0.088 18046
3529 1 6 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.020 0.550 18046
3530 1 6 . 1 1 99 99 LEU N N 99 118.381 118.381 119.408 -1.027 18046
3531 1 6 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.517 0.013 18046
3532 1 6 . 1 1 99 99 LEU C C 99 177.338 177.338 178.149 -0.811 18046
3533 1 6 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.467 -0.917 18046
3534 1 6 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.389 -0.639 18046
3535 1 6 . 1 1 99 99 LEU H H 99 8.372 8.372 7.685 0.687 18046
3536 1 6 . 1 1 100 100 CYS N N 100 119.396 119.396 119.186 0.210 18046
3537 1 6 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.215 -0.605 18046
3538 1 6 . 1 1 100 100 CYS C C 100 174.820 174.820 175.268 -0.448 18046
3539 1 6 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.778 -0.278 18046
3540 1 6 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.425 0.875 18046
3541 1 6 . 1 1 100 100 CYS H H 100 7.052 7.052 7.999 -0.947 18046
3542 1 6 . 1 1 101 101 TRP N N 101 115.737 115.737 120.621 -4.884 18046
3543 1 6 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.604 0.176 18046
3544 1 6 . 1 1 101 101 TRP C C 101 176.485 176.485 176.364 0.121 18046
3545 1 6 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.594 1.306 18046
3546 1 6 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.971 -0.871 18046
3547 1 6 . 1 1 101 101 TRP H H 101 7.625 7.625 7.931 -0.306 18046
3548 1 6 . 1 1 102 102 SER N N 102 115.896 115.896 115.384 0.512 18046
3549 1 6 . 1 1 102 102 SER HA H 102 4.520 4.520 4.286 0.234 18046
3550 1 6 . 1 1 102 102 SER C C 102 174.333 174.333 175.596 -1.263 18046
3551 1 6 . 1 1 102 102 SER CA C 102 59.200 59.200 60.683 -1.483 18046
3552 1 6 . 1 1 102 102 SER CB C 102 64.100 64.100 63.017 1.083 18046
3553 1 6 . 1 1 102 102 SER H H 102 7.916 7.916 7.741 0.175 18046
3554 1 6 . 1 1 103 103 ASP N N 103 122.262 122.262 121.712 0.550 18046
3555 1 6 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.749 -0.089 18046
3556 1 6 . 1 1 103 103 ASP C C 103 176.129 176.129 178.418 -2.289 18046
3557 1 6 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.928 -1.228 18046
3558 1 6 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.114 -0.114 18046
3559 1 6 . 1 1 103 103 ASP H H 103 8.450 8.450 7.985 0.465 18046
3560 1 6 . 1 1 104 104 ARG N N 104 120.795 120.795 119.678 1.117 18046
3561 1 6 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.106 0.224 18046
3562 1 6 . 1 1 104 104 ARG C C 104 176.283 176.283 177.771 -1.488 18046
3563 1 6 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.387 -2.187 18046
3564 1 6 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.891 0.859 18046
3565 1 6 . 1 1 104 104 ARG H H 104 8.117 8.117 7.645 0.472 18046
3566 1 6 . 1 1 105 105 LYS N N 105 122.131 122.131 117.689 4.442 18046
3567 1 6 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.416 -0.071 18046
3568 1 6 . 1 1 105 105 LYS C C 105 176.284 176.284 176.690 -0.406 18046
3569 1 6 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.534 -0.234 18046
3570 1 6 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.801 0.299 18046
3571 1 6 . 1 1 105 105 LYS H H 105 8.294 8.294 8.035 0.259 18046
3572 1 6 . 1 1 106 106 SER N N 106 116.993 116.993 114.834 2.159 18046
3573 1 6 . 1 1 106 106 SER HA H 106 4.470 4.470 4.494 -0.024 18046
3574 1 6 . 1 1 106 106 SER CA C 106 58.300 58.300 58.566 -0.266 18046
3575 1 6 . 1 1 106 106 SER CB C 106 64.200 64.200 64.727 -0.527 18046
3576 1 6 . 1 1 106 106 SER H H 106 8.235 8.235 7.702 0.533 18046
3577 1 7 . 1 1 2 2 ARG N N 2 117.203 117.203 118.169 -0.966 18046
3578 1 7 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.977 0.073 18046
3579 1 7 . 1 1 2 2 ARG C C 2 172.726 172.726 174.529 -1.803 18046
3580 1 7 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.462 0.738 18046
3581 1 7 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.558 -2.658 18046
3582 1 7 . 1 1 2 2 ARG H H 2 8.108 8.108 7.853 0.255 18046
3583 1 7 . 1 1 3 3 LEU N N 3 125.261 125.261 119.233 6.028 18046
3584 1 7 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.947 0.273 18046
3585 1 7 . 1 1 3 3 LEU C C 3 174.166 174.166 175.371 -1.205 18046
3586 1 7 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.156 -0.155 18046
3587 1 7 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.326 0.074 18046
3588 1 7 . 1 1 3 3 LEU H H 3 8.542 8.542 8.170 0.372 18046
3589 1 7 . 1 1 4 4 PHE N N 4 123.490 123.490 116.429 7.061 18046
3590 1 7 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.756 0.344 18046
3591 1 7 . 1 1 4 4 PHE C C 4 174.820 174.820 174.430 0.390 18046
3592 1 7 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.287 -0.997 18046
3593 1 7 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.077 0.273 18046
3594 1 7 . 1 1 4 4 PHE H H 4 9.591 9.591 8.657 0.934 18046
3595 1 7 . 1 1 5 5 GLU N N 5 125.718 125.718 125.184 0.534 18046
3596 1 7 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.736 -0.716 18046
3597 1 7 . 1 1 5 5 GLU C C 5 174.892 174.892 175.861 -0.969 18046
3598 1 7 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.260 -0.160 18046
3599 1 7 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.092 2.758 18046
3600 1 7 . 1 1 5 5 GLU H H 5 9.484 9.484 8.559 0.925 18046
3601 1 7 . 1 1 6 6 CYS N N 6 127.915 127.915 126.279 1.636 18046
3602 1 7 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.049 -0.029 18046
3603 1 7 . 1 1 6 6 CYS C C 6 172.378 172.378 173.886 -1.508 18046
3604 1 7 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.441 0.559 18046
3605 1 7 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.198 0.102 18046
3606 1 7 . 1 1 6 6 CYS H H 6 8.937 8.937 8.336 0.601 18046
3607 1 7 . 1 1 7 7 SER N N 7 113.574 113.574 118.463 -4.889 18046
3608 1 7 . 1 1 7 7 SER HA H 7 5.420 5.420 4.915 0.505 18046
3609 1 7 . 1 1 7 7 SER C C 7 175.632 175.632 173.036 2.596 18046
3610 1 7 . 1 1 7 7 SER CA C 7 55.400 55.400 56.777 -1.377 18046
3611 1 7 . 1 1 7 7 SER CB C 7 65.900 65.900 66.088 -0.188 18046
3612 1 7 . 1 1 7 7 SER H H 7 7.873 7.873 8.193 -0.320 18046
3613 1 7 . 1 1 8 8 ASN N N 8 126.153 126.153 121.545 4.608 18046
3614 1 7 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.116 0.524 18046
3615 1 7 . 1 1 8 8 ASN C C 8 178.392 178.392 175.687 2.705 18046
3616 1 7 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.780 -1.280 18046
3617 1 7 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.072 -0.972 18046
3618 1 7 . 1 1 8 8 ASN H H 8 10.299 10.299 8.581 1.718 18046
3619 1 7 . 1 1 9 9 LYS N N 9 123.420 123.420 123.698 -0.278 18046
3620 1 7 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.165 0.065 18046
3621 1 7 . 1 1 9 9 LYS C C 9 177.891 177.891 177.347 0.544 18046
3622 1 7 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.163 0.637 18046
3623 1 7 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.903 -1.003 18046
3624 1 7 . 1 1 9 9 LYS H H 9 9.064 9.064 8.494 0.570 18046
3625 1 7 . 1 1 10 10 THR N N 10 110.292 110.292 108.338 1.954 18046
3626 1 7 . 1 1 10 10 THR HA H 10 4.480 4.480 4.480 0.000 18046
3627 1 7 . 1 1 10 10 THR C C 10 175.392 175.392 175.805 -0.413 18046
3628 1 7 . 1 1 10 10 THR CA C 10 63.100 63.100 62.386 0.714 18046
3629 1 7 . 1 1 10 10 THR CB C 10 70.100 70.100 70.029 0.071 18046
3630 1 7 . 1 1 10 10 THR H H 10 8.525 8.525 7.917 0.608 18046
3631 1 7 . 1 1 11 11 GLY N N 11 110.668 110.668 110.188 0.480 18046
3632 1 7 . 1 1 11 11 GLY C C 11 172.867 172.867 173.673 -0.806 18046
3633 1 7 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.110 -0.410 18046
3634 1 7 . 1 1 11 11 GLY H H 11 8.266 8.266 8.115 0.151 18046
3635 1 7 . 1 1 12 12 ARG N N 12 118.170 118.170 120.307 -2.137 18046
3636 1 7 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.712 -0.052 18046
3637 1 7 . 1 1 12 12 ARG C C 12 173.924 173.924 174.585 -0.661 18046
3638 1 7 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.741 -0.841 18046
3639 1 7 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.927 -0.127 18046
3640 1 7 . 1 1 12 12 ARG H H 12 7.538 7.538 7.843 -0.305 18046
3641 1 7 . 1 1 13 13 PHE N N 13 121.956 121.956 123.076 -1.120 18046
3642 1 7 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.630 -0.096 18046
3643 1 7 . 1 1 13 13 PHE C C 13 174.005 174.005 174.305 -0.300 18046
3644 1 7 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.494 2.006 18046
3645 1 7 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.956 -0.956 18046
3646 1 7 . 1 1 13 13 PHE H H 13 8.926 8.926 8.633 0.293 18046
3647 1 7 . 1 1 14 14 LEU N N 14 129.824 129.824 127.206 2.618 18046
3648 1 7 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.241 0.069 18046
3649 1 7 . 1 1 14 14 LEU C C 14 173.801 173.801 174.168 -0.367 18046
3650 1 7 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.866 1.334 18046
3651 1 7 . 1 1 14 14 LEU CB C 14 46.600 46.600 44.962 1.638 18046
3652 1 7 . 1 1 14 14 LEU H H 14 8.114 8.114 7.352 0.762 18046
3653 1 7 . 1 1 15 15 ALA N N 15 125.201 125.201 125.465 -0.264 18046
3654 1 7 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.392 1.138 18046
3655 1 7 . 1 1 15 15 ALA C C 15 177.178 177.178 176.556 0.622 18046
3656 1 7 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.348 -1.548 18046
3657 1 7 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.208 0.592 18046
3658 1 7 . 1 1 15 15 ALA H H 15 8.234 8.234 8.189 0.045 18046
3659 1 7 . 1 1 16 16 THR N N 16 119.393 119.393 119.061 0.332 18046
3660 1 7 . 1 1 16 16 THR HA H 16 4.654 4.654 4.538 0.116 18046
3661 1 7 . 1 1 16 16 THR C C 16 173.434 173.434 172.394 1.040 18046
3662 1 7 . 1 1 16 16 THR CA C 16 61.261 61.261 60.896 0.365 18046
3663 1 7 . 1 1 16 16 THR CB C 16 71.500 71.500 71.609 -0.109 18046
3664 1 7 . 1 1 16 16 THR H H 16 9.149 9.149 7.986 1.163 18046
3665 1 7 . 1 1 17 17 GLU N N 17 128.928 128.928 123.137 5.791 18046
3666 1 7 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.449 -0.059 18046
3667 1 7 . 1 1 17 17 GLU C C 17 175.799 175.799 175.003 0.796 18046
3668 1 7 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.839 1.962 18046
3669 1 7 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.925 -2.525 18046
3670 1 7 . 1 1 17 17 GLU H H 17 9.269 9.269 8.525 0.744 18046
3671 1 7 . 1 1 18 18 ILE N N 18 129.185 129.185 125.944 3.241 18046
3672 1 7 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.077 0.313 18046
3673 1 7 . 1 1 18 18 ILE C C 18 176.202 176.202 174.621 1.581 18046
3674 1 7 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.581 1.119 18046
3675 1 7 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.711 -1.611 18046
3676 1 7 . 1 1 18 18 ILE H H 18 8.814 8.814 8.280 0.534 18046
3677 1 7 . 1 1 19 19 VAL N N 19 127.068 127.068 126.384 0.684 18046
3678 1 7 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.657 0.623 18046
3679 1 7 . 1 1 19 19 VAL C C 19 175.632 175.632 175.725 -0.093 18046
3680 1 7 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.745 -1.145 18046
3681 1 7 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.343 0.157 18046
3682 1 7 . 1 1 19 19 VAL H H 19 8.600 8.600 8.096 0.504 18046
3683 1 7 . 1 1 20 20 ASP N N 20 122.793 122.793 123.365 -0.572 18046
3684 1 7 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.127 0.163 18046
3685 1 7 . 1 1 20 20 ASP C C 20 175.742 175.742 175.224 0.518 18046
3686 1 7 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.346 -0.246 18046
3687 1 7 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.845 -0.845 18046
3688 1 7 . 1 1 20 20 ASP H H 20 9.037 9.037 8.266 0.771 18046
3689 1 7 . 1 1 21 21 PHE N N 21 113.443 113.443 123.597 -10.154 18046
3690 1 7 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.672 0.138 18046
3691 1 7 . 1 1 21 21 PHE C C 21 175.062 175.062 175.293 -0.231 18046
3692 1 7 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.247 0.953 18046
3693 1 7 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.267 -0.367 18046
3694 1 7 . 1 1 21 21 PHE H H 21 6.542 6.542 7.546 -1.004 18046
3695 1 7 . 1 1 22 22 THR N N 22 112.200 112.200 112.155 0.045 18046
3696 1 7 . 1 1 22 22 THR HA H 22 4.900 4.900 4.882 0.018 18046
3697 1 7 . 1 1 22 22 THR C C 22 175.307 175.307 175.656 -0.349 18046
3698 1 7 . 1 1 22 22 THR CA C 22 60.400 60.400 60.593 -0.193 18046
3699 1 7 . 1 1 22 22 THR CB C 22 73.300 73.300 71.033 2.267 18046
3700 1 7 . 1 1 22 22 THR H H 22 9.640 9.640 8.121 1.519 18046
3701 1 7 . 1 1 23 23 GLN N N 23 122.406 122.406 118.703 3.703 18046
3702 1 7 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.138 -0.458 18046
3703 1 7 . 1 1 23 23 GLN C C 23 176.527 176.527 177.350 -0.823 18046
3704 1 7 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.633 0.367 18046
3705 1 7 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.445 -0.845 18046
3706 1 7 . 1 1 23 23 GLN H H 23 9.766 9.766 8.773 0.993 18046
3707 1 7 . 1 1 24 24 ASP N N 24 114.153 114.153 120.020 -5.867 18046
3708 1 7 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.459 -0.359 18046
3709 1 7 . 1 1 24 24 ASP C C 24 176.528 176.528 177.404 -0.876 18046
3710 1 7 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.699 -0.799 18046
3711 1 7 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.485 0.275 18046
3712 1 7 . 1 1 24 24 ASP H H 24 7.760 7.760 7.830 -0.070 18046
3713 1 7 . 1 1 25 25 ASP N N 25 116.379 116.379 117.011 -0.632 18046
3714 1 7 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.710 -0.170 18046
3715 1 7 . 1 1 25 25 ASP C C 25 175.059 175.059 176.168 -1.109 18046
3716 1 7 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.104 1.096 18046
3717 1 7 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.547 0.953 18046
3718 1 7 . 1 1 25 25 ASP H H 25 7.655 7.655 8.005 -0.350 18046
3719 1 7 . 1 1 26 26 LEU N N 26 118.095 118.095 122.450 -4.355 18046
3720 1 7 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.144 -0.864 18046
3721 1 7 . 1 1 26 26 LEU C C 26 174.177 174.177 176.455 -2.278 18046
3722 1 7 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.360 -1.460 18046
3723 1 7 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.755 -1.455 18046
3724 1 7 . 1 1 26 26 LEU H H 26 7.309 7.309 7.216 0.093 18046
3725 1 7 . 1 1 27 27 ASP N N 27 127.757 127.757 127.637 0.120 18046
3726 1 7 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.604 0.196 18046
3727 1 7 . 1 1 27 27 ASP C C 27 177.178 177.178 177.102 0.076 18046
3728 1 7 . 1 1 27 27 ASP CA C 27 54.500 54.500 54.577 -0.077 18046
3729 1 7 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.529 1.970 18046
3730 1 7 . 1 1 27 27 ASP H H 27 8.612 8.612 8.434 0.178 18046
3731 1 7 . 1 1 28 28 GLU N N 28 124.674 124.674 119.440 5.234 18046
3732 1 7 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.192 0.198 18046
3733 1 7 . 1 1 28 28 GLU C C 28 175.019 175.019 176.749 -1.730 18046
3734 1 7 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.519 -0.819 18046
3735 1 7 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.227 -0.627 18046
3736 1 7 . 1 1 28 28 GLU H H 28 8.632 8.632 8.712 -0.080 18046
3737 1 7 . 1 1 29 29 ASN N N 29 115.882 115.882 118.849 -2.967 18046
3738 1 7 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.927 -0.297 18046
3739 1 7 . 1 1 29 29 ASN C C 29 175.382 175.382 173.631 1.751 18046
3740 1 7 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.814 -0.014 18046
3741 1 7 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.162 0.838 18046
3742 1 7 . 1 1 29 29 ASN H H 29 9.360 9.360 8.278 1.082 18046
3743 1 7 . 1 1 30 30 ASP N N 30 127.013 127.013 121.970 5.043 18046
3744 1 7 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.801 0.749 18046
3745 1 7 . 1 1 30 30 ASP C C 30 172.009 172.009 174.830 -2.821 18046
3746 1 7 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.379 0.821 18046
3747 1 7 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.642 0.159 18046
3748 1 7 . 1 1 30 30 ASP H H 30 8.710 8.710 8.628 0.082 18046
3749 1 7 . 1 1 31 31 VAL N N 31 112.784 112.784 120.673 -7.889 18046
3750 1 7 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.309 1.091 18046
3751 1 7 . 1 1 31 31 VAL C C 31 173.273 173.273 174.917 -1.644 18046
3752 1 7 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.213 -2.213 18046
3753 1 7 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.561 3.239 18046
3754 1 7 . 1 1 31 31 VAL H H 31 7.364 7.364 8.411 -1.047 18046
3755 1 7 . 1 1 32 32 TYR N N 32 120.917 120.917 126.876 -5.959 18046
3756 1 7 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.395 0.275 18046
3757 1 7 . 1 1 32 32 TYR C C 32 174.735 174.735 175.311 -0.576 18046
3758 1 7 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.789 1.011 18046
3759 1 7 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.526 1.575 18046
3760 1 7 . 1 1 32 32 TYR H H 32 9.698 9.698 8.147 1.551 18046
3761 1 7 . 1 1 33 33 LEU N N 33 119.790 119.790 120.674 -0.884 18046
3762 1 7 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.263 1.447 18046
3763 1 7 . 1 1 33 33 LEU C C 33 175.551 175.551 174.989 0.562 18046
3764 1 7 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.846 -2.365 18046
3765 1 7 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.859 -0.575 18046
3766 1 7 . 1 1 33 33 LEU H H 33 9.111 9.111 8.755 0.356 18046
3767 1 7 . 1 1 34 34 LEU N N 34 125.829 125.829 127.652 -1.823 18046
3768 1 7 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.176 0.234 18046
3769 1 7 . 1 1 34 34 LEU C C 34 174.819 174.819 174.729 0.090 18046
3770 1 7 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.315 0.005 18046
3771 1 7 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.842 -0.262 18046
3772 1 7 . 1 1 34 34 LEU H H 34 9.847 9.847 8.033 1.814 18046
3773 1 7 . 1 1 35 35 ASP N N 35 126.739 126.739 128.287 -1.548 18046
3774 1 7 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.968 0.172 18046
3775 1 7 . 1 1 35 35 ASP C C 35 176.690 176.690 175.599 1.091 18046
3776 1 7 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.023 -0.423 18046
3777 1 7 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.912 1.288 18046
3778 1 7 . 1 1 35 35 ASP H H 35 9.740 9.740 8.526 1.214 18046
3779 1 7 . 1 1 36 36 THR N N 36 118.603 118.603 114.136 4.467 18046
3780 1 7 . 1 1 36 36 THR HA H 36 4.290 4.290 4.285 0.005 18046
3781 1 7 . 1 1 36 36 THR C C 36 175.471 175.471 174.398 1.073 18046
3782 1 7 . 1 1 36 36 THR CA C 36 60.800 60.800 59.386 1.414 18046
3783 1 7 . 1 1 36 36 THR CB C 36 68.500 68.500 70.684 -2.184 18046
3784 1 7 . 1 1 36 36 THR H H 36 8.596 8.596 7.839 0.757 18046
3785 1 7 . 1 1 37 37 TRP N N 37 122.021 122.021 122.252 -0.231 18046
3786 1 7 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.492 -0.442 18046
3787 1 7 . 1 1 37 37 TRP C C 37 177.341 177.341 176.413 0.928 18046
3788 1 7 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.383 2.417 18046
3789 1 7 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.606 -0.606 18046
3790 1 7 . 1 1 37 37 TRP H H 37 9.090 9.090 8.287 0.803 18046
3791 1 7 . 1 1 38 38 ASP N N 38 117.786 117.786 117.905 -0.119 18046
3792 1 7 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.759 -0.369 18046
3793 1 7 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.086 -0.086 18046
3794 1 7 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.285 -0.985 18046
3795 1 7 . 1 1 38 38 ASP H H 38 8.676 8.676 7.834 0.842 18046
3796 1 7 . 1 1 39 39 GLN N N 39 110.693 110.693 114.812 -4.119 18046
3797 1 7 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.502 -0.012 18046
3798 1 7 . 1 1 39 39 GLN C C 39 173.398 173.398 174.393 -0.995 18046
3799 1 7 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.348 -0.548 18046
3800 1 7 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.863 0.337 18046
3801 1 7 . 1 1 39 39 GLN H H 39 7.325 7.325 8.071 -0.746 18046
3802 1 7 . 1 1 40 40 ILE N N 40 120.287 120.287 122.864 -2.577 18046
3803 1 7 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.651 0.329 18046
3804 1 7 . 1 1 40 40 ILE C C 40 175.143 175.143 175.994 -0.851 18046
3805 1 7 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.525 -1.425 18046
3806 1 7 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.545 1.155 18046
3807 1 7 . 1 1 40 40 ILE H H 40 8.663 8.663 8.659 0.004 18046
3808 1 7 . 1 1 41 41 PHE N N 41 124.653 124.653 127.698 -3.045 18046
3809 1 7 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.883 0.607 18046
3810 1 7 . 1 1 41 41 PHE C C 41 174.167 174.167 175.143 -0.976 18046
3811 1 7 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.563 -0.163 18046
3812 1 7 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.055 2.145 18046
3813 1 7 . 1 1 41 41 PHE H H 41 9.555 9.555 9.336 0.219 18046
3814 1 7 . 1 1 42 42 PHE N N 42 128.681 128.681 125.358 3.323 18046
3815 1 7 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.889 0.691 18046
3816 1 7 . 1 1 42 42 PHE C C 42 172.940 172.940 174.880 -1.940 18046
3817 1 7 . 1 1 42 42 PHE CA C 42 54.700 54.700 57.495 -2.795 18046
3818 1 7 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.868 1.131 18046
3819 1 7 . 1 1 42 42 PHE H H 42 9.647 9.647 8.529 1.118 18046
3820 1 7 . 1 1 43 43 TRP N N 43 128.634 128.634 126.637 1.997 18046
3821 1 7 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.800 0.480 18046
3822 1 7 . 1 1 43 43 TRP C C 43 175.877 175.877 174.731 1.146 18046
3823 1 7 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.451 1.549 18046
3824 1 7 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.677 2.523 18046
3825 1 7 . 1 1 43 43 TRP H H 43 9.997 9.997 8.883 1.114 18046
3826 1 7 . 1 1 44 44 ILE N N 44 126.166 126.166 126.267 -0.101 18046
3827 1 7 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.577 -0.427 18046
3828 1 7 . 1 1 44 44 ILE C C 44 175.190 175.190 175.654 -0.464 18046
3829 1 7 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.941 1.559 18046
3830 1 7 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.370 0.930 18046
3831 1 7 . 1 1 44 44 ILE H H 44 8.359 8.359 7.843 0.516 18046
3832 1 7 . 1 1 45 45 GLY N N 45 119.260 119.260 113.526 5.734 18046
3833 1 7 . 1 1 45 45 GLY C C 45 176.163 176.163 174.423 1.740 18046
3834 1 7 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.514 2.086 18046
3835 1 7 . 1 1 45 45 GLY H H 45 7.603 7.603 8.344 -0.741 18046
3836 1 7 . 1 1 46 46 LYS N N 46 124.868 124.868 119.345 5.523 18046
3837 1 7 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.414 -0.344 18046
3838 1 7 . 1 1 46 46 LYS C C 46 177.700 177.700 177.428 0.272 18046
3839 1 7 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.559 1.641 18046
3840 1 7 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.254 -0.854 18046
3841 1 7 . 1 1 46 46 LYS H H 46 9.104 9.104 8.202 0.902 18046
3842 1 7 . 1 1 47 47 GLY N N 47 106.230 106.230 107.401 -1.171 18046
3843 1 7 . 1 1 47 47 GLY C C 47 175.326 175.326 174.102 1.224 18046
3844 1 7 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.175 -0.975 18046
3845 1 7 . 1 1 47 47 GLY H H 47 8.954 8.954 8.012 0.942 18046
3846 1 7 . 1 1 48 48 ALA N N 48 125.925 125.925 122.869 3.056 18046
3847 1 7 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.238 0.382 18046
3848 1 7 . 1 1 48 48 ALA C C 48 177.829 177.829 177.544 0.285 18046
3849 1 7 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.574 0.126 18046
3850 1 7 . 1 1 48 48 ALA CB C 48 19.900 19.900 19.055 0.845 18046
3851 1 7 . 1 1 48 48 ALA H H 48 7.484 7.484 7.720 -0.236 18046
3852 1 7 . 1 1 49 49 ASN N N 49 119.683 119.683 122.856 -3.173 18046
3853 1 7 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.567 0.533 18046
3854 1 7 . 1 1 49 49 ASN C C 49 175.874 175.874 177.009 -1.135 18046
3855 1 7 . 1 1 49 49 ASN CA C 49 51.600 51.600 54.009 -2.409 18046
3856 1 7 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.477 1.523 18046
3857 1 7 . 1 1 49 49 ASN H H 49 8.921 8.921 9.053 -0.132 18046
3858 1 7 . 1 1 50 50 GLU N N 50 118.057 118.057 120.717 -2.660 18046
3859 1 7 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.080 -0.080 18046
3860 1 7 . 1 1 50 50 GLU C C 50 178.722 178.722 178.151 0.571 18046
3861 1 7 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.641 -0.041 18046
3862 1 7 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.602 -0.002 18046
3863 1 7 . 1 1 50 50 GLU H H 50 8.828 8.828 8.960 -0.133 18046
3864 1 7 . 1 1 51 51 SER N N 51 115.397 115.397 114.813 0.584 18046
3865 1 7 . 1 1 51 51 SER HA H 51 4.350 4.350 4.232 0.118 18046
3866 1 7 . 1 1 51 51 SER C C 51 177.932 177.932 176.365 1.567 18046
3867 1 7 . 1 1 51 51 SER CA C 51 61.800 61.800 61.387 0.413 18046
3868 1 7 . 1 1 51 51 SER CB C 51 62.700 62.700 62.900 -0.200 18046
3869 1 7 . 1 1 51 51 SER H H 51 8.401 8.401 8.411 -0.010 18046
3870 1 7 . 1 1 52 52 GLU N N 52 122.271 122.271 122.265 0.006 18046
3871 1 7 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.135 -0.035 18046
3872 1 7 . 1 1 52 52 GLU C C 52 177.665 177.665 178.539 -0.874 18046
3873 1 7 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.910 -0.710 18046
3874 1 7 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.956 -0.556 18046
3875 1 7 . 1 1 52 52 GLU H H 52 8.566 8.566 8.375 0.191 18046
3876 1 7 . 1 1 53 53 LYS N N 53 119.319 119.319 118.530 0.789 18046
3877 1 7 . 1 1 53 53 LYS HA H 53 4.040 4.040 4.077 -0.037 18046
3878 1 7 . 1 1 53 53 LYS C C 53 178.727 178.727 178.650 0.077 18046
3879 1 7 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.395 1.505 18046
3880 1 7 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.275 0.325 18046
3881 1 7 . 1 1 53 53 LYS H H 53 7.704 7.704 7.590 0.114 18046
3882 1 7 . 1 1 54 54 GLU N N 54 119.268 119.268 118.943 0.325 18046
3883 1 7 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.094 -0.034 18046
3884 1 7 . 1 1 54 54 GLU C C 54 179.211 179.211 178.320 0.891 18046
3885 1 7 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.078 0.422 18046
3886 1 7 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.633 0.267 18046
3887 1 7 . 1 1 54 54 GLU H H 54 8.173 8.173 7.298 0.875 18046
3888 1 7 . 1 1 55 55 ALA N N 55 121.311 121.311 121.982 -0.671 18046
3889 1 7 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.816 0.134 18046
3890 1 7 . 1 1 55 55 ALA C C 55 180.920 180.920 179.366 1.554 18046
3891 1 7 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.693 -0.193 18046
3892 1 7 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.110 -1.310 18046
3893 1 7 . 1 1 55 55 ALA H H 55 7.954 7.954 8.371 -0.417 18046
3894 1 7 . 1 1 56 56 ALA N N 56 123.395 123.395 119.310 4.085 18046
3895 1 7 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.239 -0.219 18046
3896 1 7 . 1 1 56 56 ALA C C 56 178.383 178.383 179.084 -0.701 18046
3897 1 7 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.721 0.679 18046
3898 1 7 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.474 1.126 18046
3899 1 7 . 1 1 56 56 ALA H H 56 8.393 8.393 8.128 0.265 18046
3900 1 7 . 1 1 57 57 ALA N N 57 120.754 120.754 121.021 -0.267 18046
3901 1 7 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.562 -0.642 18046
3902 1 7 . 1 1 57 57 ALA C C 57 180.433 180.433 179.955 0.478 18046
3903 1 7 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.931 0.769 18046
3904 1 7 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.300 -0.600 18046
3905 1 7 . 1 1 57 57 ALA H H 57 7.690 7.690 7.453 0.237 18046
3906 1 7 . 1 1 58 58 GLU N N 58 118.337 118.337 118.783 -0.446 18046
3907 1 7 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.041 0.059 18046
3908 1 7 . 1 1 58 58 GLU C C 58 179.210 179.210 179.089 0.121 18046
3909 1 7 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.378 -0.178 18046
3910 1 7 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.703 -0.403 18046
3911 1 7 . 1 1 58 58 GLU H H 58 7.423 7.423 7.957 -0.534 18046
3912 1 7 . 1 1 59 59 THR N N 59 118.744 118.744 115.168 3.576 18046
3913 1 7 . 1 1 59 59 THR HA H 59 3.860 3.860 4.035 -0.175 18046
3914 1 7 . 1 1 59 59 THR C C 59 175.722 175.722 175.801 -0.079 18046
3915 1 7 . 1 1 59 59 THR CA C 59 67.420 67.420 66.326 1.094 18046
3916 1 7 . 1 1 59 59 THR CB C 59 68.590 68.590 68.519 0.070 18046
3917 1 7 . 1 1 59 59 THR H H 59 8.354 8.354 8.393 -0.039 18046
3918 1 7 . 1 1 60 60 ALA N N 60 122.991 122.991 122.039 0.952 18046
3919 1 7 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.873 -0.143 18046
3920 1 7 . 1 1 60 60 ALA C C 60 178.155 178.155 179.255 -1.100 18046
3921 1 7 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.678 1.022 18046
3922 1 7 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.135 -0.335 18046
3923 1 7 . 1 1 60 60 ALA H H 60 8.294 8.294 7.611 0.683 18046
3924 1 7 . 1 1 61 61 GLN N N 61 113.649 113.649 116.717 -3.068 18046
3925 1 7 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.898 0.092 18046
3926 1 7 . 1 1 61 61 GLN C C 61 178.640 178.640 178.105 0.535 18046
3927 1 7 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.594 -0.674 18046
3928 1 7 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.156 0.304 18046
3929 1 7 . 1 1 61 61 GLN H H 61 7.215 7.215 7.871 -0.656 18046
3930 1 7 . 1 1 62 62 GLU N N 62 120.684 120.684 118.180 2.504 18046
3931 1 7 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.069 -0.029 18046
3932 1 7 . 1 1 62 62 GLU C C 62 179.047 179.047 178.639 0.408 18046
3933 1 7 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.135 0.066 18046
3934 1 7 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.061 0.239 18046
3935 1 7 . 1 1 62 62 GLU H H 62 8.126 8.126 7.953 0.173 18046
3936 1 7 . 1 1 63 63 TYR N N 63 122.118 122.118 120.206 1.912 18046
3937 1 7 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.293 -0.063 18046
3938 1 7 . 1 1 63 63 TYR C C 63 178.643 178.643 177.536 1.107 18046
3939 1 7 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.687 -0.587 18046
3940 1 7 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.914 -1.115 18046
3941 1 7 . 1 1 63 63 TYR H H 63 8.796 8.796 7.725 1.071 18046
3942 1 7 . 1 1 64 64 LEU N N 64 119.163 119.163 120.075 -0.912 18046
3943 1 7 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.902 -0.222 18046
3944 1 7 . 1 1 64 64 LEU C C 64 178.475 178.475 179.270 -0.795 18046
3945 1 7 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.021 -0.021 18046
3946 1 7 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.381 2.119 18046
3947 1 7 . 1 1 64 64 LEU H H 64 7.799 7.799 7.810 -0.011 18046
3948 1 7 . 1 1 65 65 ARG N N 65 116.868 116.868 118.836 -1.968 18046
3949 1 7 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.963 0.107 18046
3950 1 7 . 1 1 65 65 ARG C C 65 177.464 177.464 178.072 -0.608 18046
3951 1 7 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.727 -0.127 18046
3952 1 7 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.765 1.035 18046
3953 1 7 . 1 1 65 65 ARG H H 65 7.842 7.842 7.761 0.081 18046
3954 1 7 . 1 1 66 66 SER N N 66 112.527 112.527 113.978 -1.451 18046
3955 1 7 . 1 1 66 66 SER HA H 66 4.360 4.360 4.208 0.152 18046
3956 1 7 . 1 1 66 66 SER C C 66 174.087 174.087 175.300 -1.213 18046
3957 1 7 . 1 1 66 66 SER CA C 66 59.440 59.440 60.345 -0.905 18046
3958 1 7 . 1 1 66 66 SER CB C 66 64.120 64.120 63.484 0.636 18046
3959 1 7 . 1 1 66 66 SER H H 66 7.907 7.907 7.785 0.122 18046
3960 1 7 . 1 1 67 67 HIS N N 67 123.090 123.090 122.258 0.832 18046
3961 1 7 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.882 -0.222 18046
3962 1 7 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.694 2.706 18046
3963 1 7 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.187 -0.587 18046
3964 1 7 . 1 1 67 67 HIS H H 67 7.515 7.515 7.724 -0.209 18046
3965 1 7 . 1 1 68 68 PRO C C 68 176.365 176.365 176.887 -0.522 18046
3966 1 7 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.865 5.495 18046
3967 1 7 . 1 1 69 69 GLY N N 69 124.202 124.202 106.430 17.772 18046
3968 1 7 . 1 1 69 69 GLY C C 69 174.331 174.331 174.435 -0.104 18046
3969 1 7 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.425 1.275 18046
3970 1 7 . 1 1 69 69 GLY H H 69 8.166 8.166 8.026 0.140 18046
3971 1 7 . 1 1 70 70 SER N N 70 115.467 115.467 114.394 1.073 18046
3972 1 7 . 1 1 70 70 SER HA H 70 4.450 4.450 4.594 -0.144 18046
3973 1 7 . 1 1 70 70 SER C C 70 174.329 174.329 175.200 -0.871 18046
3974 1 7 . 1 1 70 70 SER CA C 70 58.640 58.640 59.039 -0.399 18046
3975 1 7 . 1 1 70 70 SER CB C 70 63.040 63.040 63.919 -0.879 18046
3976 1 7 . 1 1 70 70 SER H H 70 8.280 8.280 8.485 -0.205 18046
3977 1 7 . 1 1 71 71 ARG N N 71 120.585 120.585 121.530 -0.945 18046
3978 1 7 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.343 -0.113 18046
3979 1 7 . 1 1 71 71 ARG C C 71 175.793 175.793 176.126 -0.333 18046
3980 1 7 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.285 -1.185 18046
3981 1 7 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.174 1.226 18046
3982 1 7 . 1 1 71 71 ARG H H 71 8.341 8.341 8.126 0.215 18046
3983 1 7 . 1 1 72 72 ASP N N 72 120.258 120.258 118.631 1.627 18046
3984 1 7 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.688 -0.248 18046
3985 1 7 . 1 1 72 72 ASP C C 72 178.038 178.038 176.615 1.423 18046
3986 1 7 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.019 -1.489 18046
3987 1 7 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.238 -0.468 18046
3988 1 7 . 1 1 72 72 ASP H H 72 8.471 8.471 8.332 0.139 18046
3989 1 7 . 1 1 73 73 LEU N N 73 127.518 127.518 118.548 8.970 18046
3990 1 7 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.240 -0.150 18046
3991 1 7 . 1 1 73 73 LEU C C 73 177.417 177.417 177.873 -0.456 18046
3992 1 7 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.733 0.267 18046
3993 1 7 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.658 -1.658 18046
3994 1 7 . 1 1 73 73 LEU H H 73 8.826 8.826 7.413 1.413 18046
3995 1 7 . 1 1 74 74 ASP N N 74 117.787 117.787 118.466 -0.679 18046
3996 1 7 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.429 0.311 18046
3997 1 7 . 1 1 74 74 ASP C C 74 175.765 175.765 176.367 -0.602 18046
3998 1 7 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.267 -2.367 18046
3999 1 7 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.992 -0.522 18046
4000 1 7 . 1 1 74 74 ASP H H 74 8.480 8.480 8.345 0.135 18046
4001 1 7 . 1 1 75 75 THR N N 75 119.682 119.682 115.352 4.330 18046
4002 1 7 . 1 1 75 75 THR HA H 75 4.210 4.210 4.722 -0.512 18046
4003 1 7 . 1 1 75 75 THR CA C 75 62.440 62.440 59.372 3.068 18046
4004 1 7 . 1 1 75 75 THR CB C 75 70.940 70.940 69.914 1.026 18046
4005 1 7 . 1 1 75 75 THR H H 75 7.303 7.303 7.885 -0.582 18046
4006 1 7 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.478 -0.238 18046
4007 1 7 . 1 1 76 76 PRO C C 76 174.823 174.823 176.220 -1.397 18046
4008 1 7 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.278 1.322 18046
4009 1 7 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.356 0.744 18046
4010 1 7 . 1 1 77 77 ILE N N 77 121.906 121.906 119.852 2.054 18046
4011 1 7 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.944 1.046 18046
4012 1 7 . 1 1 77 77 ILE C C 77 176.571 176.571 176.698 -0.127 18046
4013 1 7 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.377 -1.877 18046
4014 1 7 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.599 -0.499 18046
4015 1 7 . 1 1 77 77 ILE H H 77 8.052 8.052 8.069 -0.017 18046
4016 1 7 . 1 1 78 78 ILE N N 78 130.054 130.054 128.462 1.592 18046
4017 1 7 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.046 0.254 18046
4018 1 7 . 1 1 78 78 ILE C C 78 175.471 175.471 175.637 -0.166 18046
4019 1 7 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.500 -0.700 18046
4020 1 7 . 1 1 78 78 ILE CB C 78 39.300 39.300 35.966 3.334 18046
4021 1 7 . 1 1 78 78 ILE H H 78 8.977 8.977 8.314 0.663 18046
4022 1 7 . 1 1 79 79 VAL N N 79 130.072 130.072 127.615 2.457 18046
4023 1 7 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.914 0.776 18046
4024 1 7 . 1 1 79 79 VAL C C 79 176.024 176.024 175.991 0.033 18046
4025 1 7 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.562 0.338 18046
4026 1 7 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.928 -0.228 18046
4027 1 7 . 1 1 79 79 VAL H H 79 8.872 8.872 7.925 0.947 18046
4028 1 7 . 1 1 80 80 VAL N N 80 129.055 129.055 126.555 2.500 18046
4029 1 7 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.292 0.128 18046
4030 1 7 . 1 1 80 80 VAL C C 80 173.028 173.028 174.636 -1.608 18046
4031 1 7 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.704 -0.704 18046
4032 1 7 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.128 1.272 18046
4033 1 7 . 1 1 80 80 VAL H H 80 9.608 9.608 8.315 1.293 18046
4034 1 7 . 1 1 81 81 LYS N N 81 123.854 123.854 123.624 0.230 18046
4035 1 7 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.551 -0.381 18046
4036 1 7 . 1 1 81 81 LYS C C 81 175.225 175.225 175.961 -0.736 18046
4037 1 7 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.909 0.191 18046
4038 1 7 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.377 -0.177 18046
4039 1 7 . 1 1 81 81 LYS H H 81 8.441 8.441 8.304 0.137 18046
4040 1 7 . 1 1 82 82 GLN N N 82 121.237 121.237 121.529 -0.292 18046
4041 1 7 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.100 -0.140 18046
4042 1 7 . 1 1 82 82 GLN C C 82 177.016 177.016 175.978 1.038 18046
4043 1 7 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.576 -0.076 18046
4044 1 7 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.716 0.384 18046
4045 1 7 . 1 1 82 82 GLN H H 82 6.493 6.493 8.745 -2.252 18046
4046 1 7 . 1 1 83 83 GLY N N 83 118.629 118.629 112.058 6.571 18046
4047 1 7 . 1 1 83 83 GLY C C 83 174.491 174.491 173.122 1.369 18046
4048 1 7 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.356 1.044 18046
4049 1 7 . 1 1 83 83 GLY H H 83 10.072 10.072 8.082 1.990 18046
4050 1 7 . 1 1 84 84 PHE N N 84 120.834 120.834 119.803 1.031 18046
4051 1 7 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.606 0.304 18046
4052 1 7 . 1 1 84 84 PHE C C 84 177.056 177.056 174.199 2.857 18046
4053 1 7 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.303 -0.803 18046
4054 1 7 . 1 1 84 84 PHE CB C 84 38.700 38.700 41.030 -2.330 18046
4055 1 7 . 1 1 84 84 PHE H H 84 8.431 8.431 7.240 1.191 18046
4056 1 7 . 1 1 85 85 GLU N N 85 125.174 125.174 125.166 0.008 18046
4057 1 7 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.849 -0.739 18046
4058 1 7 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.436 4.444 18046
4059 1 7 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.348 -3.178 18046
4060 1 7 . 1 1 85 85 GLU H H 85 10.207 10.207 8.519 1.688 18046
4061 1 7 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.450 0.300 18046
4062 1 7 . 1 1 87 87 PRO C C 87 178.401 178.401 178.000 0.401 18046
4063 1 7 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.967 -0.467 18046
4064 1 7 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.880 -0.480 18046
4065 1 7 . 1 1 88 88 THR N N 88 107.088 107.088 112.366 -5.278 18046
4066 1 7 . 1 1 88 88 THR HA H 88 4.080 4.080 3.984 0.096 18046
4067 1 7 . 1 1 88 88 THR C C 88 174.325 174.325 175.581 -1.256 18046
4068 1 7 . 1 1 88 88 THR CA C 88 63.200 63.200 64.985 -1.785 18046
4069 1 7 . 1 1 88 88 THR CB C 88 68.300 68.300 68.044 0.256 18046
4070 1 7 . 1 1 88 88 THR H H 88 7.316 7.316 8.146 -0.830 18046
4071 1 7 . 1 1 89 89 PHE N N 89 119.031 119.031 122.031 -3.000 18046
4072 1 7 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.893 0.027 18046
4073 1 7 . 1 1 89 89 PHE C C 89 175.661 175.661 177.204 -1.543 18046
4074 1 7 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.658 -0.658 18046
4075 1 7 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.694 2.366 18046
4076 1 7 . 1 1 89 89 PHE H H 89 7.437 7.437 7.741 -0.304 18046
4077 1 7 . 1 1 90 90 THR N N 90 107.216 107.216 116.658 -9.442 18046
4078 1 7 . 1 1 90 90 THR HA H 90 3.210 3.210 3.138 0.072 18046
4079 1 7 . 1 1 90 90 THR C C 90 177.340 177.340 176.655 0.685 18046
4080 1 7 . 1 1 90 90 THR CA C 90 65.000 65.000 67.295 -2.295 18046
4081 1 7 . 1 1 90 90 THR CB C 90 68.200 68.200 67.773 0.427 18046
4082 1 7 . 1 1 90 90 THR H H 90 7.675 7.675 7.872 -0.197 18046
4083 1 7 . 1 1 91 91 GLY N N 91 106.674 106.674 109.055 -2.381 18046
4084 1 7 . 1 1 91 91 GLY C C 91 174.591 174.591 174.495 0.096 18046
4085 1 7 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.747 0.553 18046
4086 1 7 . 1 1 91 91 GLY H H 91 7.865 7.865 7.346 0.519 18046
4087 1 7 . 1 1 92 92 TRP N N 92 117.951 117.951 118.741 -0.790 18046
4088 1 7 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.279 0.211 18046
4089 1 7 . 1 1 92 92 TRP C C 92 174.042 174.042 176.403 -2.361 18046
4090 1 7 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.867 0.603 18046
4091 1 7 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.386 0.244 18046
4092 1 7 . 1 1 92 92 TRP H H 92 7.018 7.018 7.141 -0.123 18046
4093 1 7 . 1 1 93 93 PHE N N 93 118.863 118.863 115.934 2.929 18046
4094 1 7 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.210 0.400 18046
4095 1 7 . 1 1 93 93 PHE C C 93 175.872 175.872 177.000 -1.128 18046
4096 1 7 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.834 0.066 18046
4097 1 7 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.941 0.859 18046
4098 1 7 . 1 1 93 93 PHE H H 93 7.956 7.956 7.595 0.361 18046
4099 1 7 . 1 1 94 94 MET N N 94 121.781 121.781 119.222 2.559 18046
4100 1 7 . 1 1 94 94 MET HA H 94 4.200 4.200 4.192 0.008 18046
4101 1 7 . 1 1 94 94 MET C C 94 175.794 175.794 175.937 -0.143 18046
4102 1 7 . 1 1 94 94 MET CA C 94 57.900 57.900 56.738 1.162 18046
4103 1 7 . 1 1 94 94 MET CB C 94 32.300 32.300 32.516 -0.216 18046
4104 1 7 . 1 1 94 94 MET H H 94 8.825 8.825 8.566 0.259 18046
4105 1 7 . 1 1 95 95 ALA N N 95 120.648 120.648 122.226 -1.578 18046
4106 1 7 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.438 0.002 18046
4107 1 7 . 1 1 95 95 ALA C C 95 175.600 175.600 176.501 -0.901 18046
4108 1 7 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.923 0.877 18046
4109 1 7 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.941 1.859 18046
4110 1 7 . 1 1 95 95 ALA H H 95 8.037 8.037 7.557 0.480 18046
4111 1 7 . 1 1 96 96 TRP N N 96 121.009 121.009 123.648 -2.639 18046
4112 1 7 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.365 -0.155 18046
4113 1 7 . 1 1 96 96 TRP C C 96 174.409 174.409 176.061 -1.652 18046
4114 1 7 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.864 -0.064 18046
4115 1 7 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.944 0.556 18046
4116 1 7 . 1 1 96 96 TRP H H 96 8.481 8.481 8.416 0.065 18046
4117 1 7 . 1 1 97 97 ASP N N 97 128.963 128.963 121.171 7.792 18046
4118 1 7 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.127 -0.037 18046
4119 1 7 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.825 -1.265 18046
4120 1 7 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.801 -0.271 18046
4121 1 7 . 1 1 97 97 ASP H H 97 8.850 8.850 8.903 -0.053 18046
4122 1 7 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.507 0.003 18046
4123 1 7 . 1 1 98 98 PRO C C 98 177.169 177.169 177.352 -0.183 18046
4124 1 7 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.158 0.042 18046
4125 1 7 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.004 0.566 18046
4126 1 7 . 1 1 99 99 LEU N N 99 118.381 118.381 119.026 -0.645 18046
4127 1 7 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.501 0.029 18046
4128 1 7 . 1 1 99 99 LEU C C 99 177.338 177.338 178.191 -0.853 18046
4129 1 7 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.057 -0.507 18046
4130 1 7 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.349 -0.599 18046
4131 1 7 . 1 1 99 99 LEU H H 99 8.372 8.372 7.639 0.733 18046
4132 1 7 . 1 1 100 100 CYS N N 100 119.396 119.396 119.131 0.265 18046
4133 1 7 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.228 -0.618 18046
4134 1 7 . 1 1 100 100 CYS C C 100 174.820 174.820 175.905 -1.085 18046
4135 1 7 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.814 -0.314 18046
4136 1 7 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.587 0.713 18046
4137 1 7 . 1 1 100 100 CYS H H 100 7.052 7.052 7.960 -0.908 18046
4138 1 7 . 1 1 101 101 TRP N N 101 115.737 115.737 121.142 -5.405 18046
4139 1 7 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.628 0.152 18046
4140 1 7 . 1 1 101 101 TRP C C 101 176.485 176.485 176.004 0.481 18046
4141 1 7 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.411 1.489 18046
4142 1 7 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.009 -0.909 18046
4143 1 7 . 1 1 101 101 TRP H H 101 7.625 7.625 7.924 -0.299 18046
4144 1 7 . 1 1 102 102 SER N N 102 115.896 115.896 115.686 0.210 18046
4145 1 7 . 1 1 102 102 SER HA H 102 4.520 4.520 4.236 0.284 18046
4146 1 7 . 1 1 102 102 SER C C 102 174.333 174.333 175.394 -1.061 18046
4147 1 7 . 1 1 102 102 SER CA C 102 59.200 59.200 60.993 -1.794 18046
4148 1 7 . 1 1 102 102 SER CB C 102 64.100 64.100 62.932 1.168 18046
4149 1 7 . 1 1 102 102 SER H H 102 7.916 7.916 7.784 0.132 18046
4150 1 7 . 1 1 103 103 ASP N N 103 122.262 122.262 120.220 2.042 18046
4151 1 7 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.628 0.032 18046
4152 1 7 . 1 1 103 103 ASP C C 103 176.129 176.129 178.276 -2.147 18046
4153 1 7 . 1 1 103 103 ASP CA C 103 54.700 54.700 56.206 -1.506 18046
4154 1 7 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.163 -0.163 18046
4155 1 7 . 1 1 103 103 ASP H H 103 8.450 8.450 7.865 0.585 18046
4156 1 7 . 1 1 104 104 ARG N N 104 120.795 120.795 119.523 1.272 18046
4157 1 7 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.035 0.295 18046
4158 1 7 . 1 1 104 104 ARG C C 104 176.283 176.283 177.933 -1.650 18046
4159 1 7 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.683 -2.483 18046
4160 1 7 . 1 1 104 104 ARG CB C 104 30.750 30.750 30.007 0.743 18046
4161 1 7 . 1 1 104 104 ARG H H 104 8.117 8.117 8.355 -0.238 18046
4162 1 7 . 1 1 105 105 LYS N N 105 122.131 122.131 116.800 5.331 18046
4163 1 7 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.331 0.014 18046
4164 1 7 . 1 1 105 105 LYS C C 105 176.284 176.284 176.723 -0.439 18046
4165 1 7 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.561 -0.261 18046
4166 1 7 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.676 0.424 18046
4167 1 7 . 1 1 105 105 LYS H H 105 8.294 8.294 7.621 0.673 18046
4168 1 7 . 1 1 106 106 SER N N 106 116.993 116.993 115.041 1.952 18046
4169 1 7 . 1 1 106 106 SER HA H 106 4.470 4.470 4.273 0.197 18046
4170 1 7 . 1 1 106 106 SER CA C 106 58.300 58.300 57.849 0.451 18046
4171 1 7 . 1 1 106 106 SER CB C 106 64.200 64.200 64.289 -0.089 18046
4172 1 7 . 1 1 106 106 SER H H 106 8.235 8.235 7.544 0.691 18046
4173 1 8 . 1 1 2 2 ARG N N 2 117.203 117.203 118.478 -1.275 18046
4174 1 8 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.848 0.202 18046
4175 1 8 . 1 1 2 2 ARG C C 2 172.726 172.726 174.575 -1.849 18046
4176 1 8 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.377 0.823 18046
4177 1 8 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.200 -2.300 18046
4178 1 8 . 1 1 2 2 ARG H H 2 8.108 8.108 7.730 0.378 18046
4179 1 8 . 1 1 3 3 LEU N N 3 125.261 125.261 118.673 6.588 18046
4180 1 8 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.959 0.261 18046
4181 1 8 . 1 1 3 3 LEU C C 3 174.166 174.166 175.392 -1.226 18046
4182 1 8 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.082 -0.082 18046
4183 1 8 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.405 -0.005 18046
4184 1 8 . 1 1 3 3 LEU H H 3 8.542 8.542 8.191 0.351 18046
4185 1 8 . 1 1 4 4 PHE N N 4 123.490 123.490 117.055 6.435 18046
4186 1 8 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.805 0.295 18046
4187 1 8 . 1 1 4 4 PHE C C 4 174.820 174.820 174.761 0.059 18046
4188 1 8 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.485 -1.195 18046
4189 1 8 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.766 0.584 18046
4190 1 8 . 1 1 4 4 PHE H H 4 9.591 9.591 8.704 0.887 18046
4191 1 8 . 1 1 5 5 GLU N N 5 125.718 125.718 124.445 1.273 18046
4192 1 8 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.885 -0.865 18046
4193 1 8 . 1 1 5 5 GLU C C 5 174.892 174.892 175.644 -0.752 18046
4194 1 8 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.353 -0.253 18046
4195 1 8 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.834 2.016 18046
4196 1 8 . 1 1 5 5 GLU H H 5 9.484 9.484 8.458 1.026 18046
4197 1 8 . 1 1 6 6 CYS N N 6 127.915 127.915 126.280 1.635 18046
4198 1 8 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.209 -0.189 18046
4199 1 8 . 1 1 6 6 CYS C C 6 172.378 172.378 173.743 -1.365 18046
4200 1 8 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.917 1.083 18046
4201 1 8 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.748 0.552 18046
4202 1 8 . 1 1 6 6 CYS H H 6 8.937 8.937 8.282 0.655 18046
4203 1 8 . 1 1 7 7 SER N N 7 113.574 113.574 118.021 -4.447 18046
4204 1 8 . 1 1 7 7 SER HA H 7 5.420 5.420 4.875 0.545 18046
4205 1 8 . 1 1 7 7 SER C C 7 175.632 175.632 172.842 2.790 18046
4206 1 8 . 1 1 7 7 SER CA C 7 55.400 55.400 56.487 -1.087 18046
4207 1 8 . 1 1 7 7 SER CB C 7 65.900 65.900 66.551 -0.651 18046
4208 1 8 . 1 1 7 7 SER H H 7 7.873 7.873 8.165 -0.292 18046
4209 1 8 . 1 1 8 8 ASN N N 8 126.153 126.153 121.623 4.530 18046
4210 1 8 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.103 0.537 18046
4211 1 8 . 1 1 8 8 ASN C C 8 178.392 178.392 175.662 2.730 18046
4212 1 8 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.722 -1.222 18046
4213 1 8 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.164 -1.065 18046
4214 1 8 . 1 1 8 8 ASN H H 8 10.299 10.299 8.908 1.391 18046
4215 1 8 . 1 1 9 9 LYS N N 9 123.420 123.420 123.561 -0.141 18046
4216 1 8 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.154 0.076 18046
4217 1 8 . 1 1 9 9 LYS C C 9 177.891 177.891 177.245 0.646 18046
4218 1 8 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.113 0.687 18046
4219 1 8 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.937 -1.037 18046
4220 1 8 . 1 1 9 9 LYS H H 9 9.064 9.064 8.488 0.576 18046
4221 1 8 . 1 1 10 10 THR N N 10 110.292 110.292 108.247 2.045 18046
4222 1 8 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046
4223 1 8 . 1 1 10 10 THR C C 10 175.392 175.392 175.850 -0.458 18046
4224 1 8 . 1 1 10 10 THR CA C 10 63.100 63.100 62.397 0.703 18046
4225 1 8 . 1 1 10 10 THR CB C 10 70.100 70.100 70.068 0.032 18046
4226 1 8 . 1 1 10 10 THR H H 10 8.525 8.525 7.915 0.610 18046
4227 1 8 . 1 1 11 11 GLY N N 11 110.668 110.668 110.189 0.479 18046
4228 1 8 . 1 1 11 11 GLY C C 11 172.867 172.867 173.658 -0.791 18046
4229 1 8 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.111 -0.411 18046
4230 1 8 . 1 1 11 11 GLY H H 11 8.266 8.266 8.110 0.156 18046
4231 1 8 . 1 1 12 12 ARG N N 12 118.170 118.170 120.323 -2.153 18046
4232 1 8 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046
4233 1 8 . 1 1 12 12 ARG C C 12 173.924 173.924 174.597 -0.673 18046
4234 1 8 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.736 -0.836 18046
4235 1 8 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.893 -0.093 18046
4236 1 8 . 1 1 12 12 ARG H H 12 7.538 7.538 7.838 -0.300 18046
4237 1 8 . 1 1 13 13 PHE N N 13 121.956 121.956 123.180 -1.224 18046
4238 1 8 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.612 -0.078 18046
4239 1 8 . 1 1 13 13 PHE C C 13 174.005 174.005 174.296 -0.291 18046
4240 1 8 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.533 1.967 18046
4241 1 8 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.928 -0.928 18046
4242 1 8 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046
4243 1 8 . 1 1 14 14 LEU N N 14 129.824 129.824 127.109 2.715 18046
4244 1 8 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.234 0.076 18046
4245 1 8 . 1 1 14 14 LEU C C 14 173.801 173.801 174.135 -0.334 18046
4246 1 8 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.896 1.304 18046
4247 1 8 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.070 1.530 18046
4248 1 8 . 1 1 14 14 LEU H H 14 8.114 8.114 7.325 0.789 18046
4249 1 8 . 1 1 15 15 ALA N N 15 125.201 125.201 125.649 -0.448 18046
4250 1 8 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.374 1.156 18046
4251 1 8 . 1 1 15 15 ALA C C 15 177.178 177.178 176.208 0.970 18046
4252 1 8 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.228 -1.428 18046
4253 1 8 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.535 0.265 18046
4254 1 8 . 1 1 15 15 ALA H H 15 8.234 8.234 8.191 0.043 18046
4255 1 8 . 1 1 16 16 THR N N 16 119.393 119.393 119.583 -0.190 18046
4256 1 8 . 1 1 16 16 THR HA H 16 4.654 4.654 4.508 0.146 18046
4257 1 8 . 1 1 16 16 THR C C 16 173.434 173.434 172.824 0.610 18046
4258 1 8 . 1 1 16 16 THR CA C 16 61.261 61.261 61.649 -0.388 18046
4259 1 8 . 1 1 16 16 THR CB C 16 71.500 71.500 71.826 -0.326 18046
4260 1 8 . 1 1 16 16 THR H H 16 9.149 9.149 7.989 1.160 18046
4261 1 8 . 1 1 17 17 GLU N N 17 128.928 128.928 125.589 3.339 18046
4262 1 8 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.408 -0.018 18046
4263 1 8 . 1 1 17 17 GLU C C 17 175.799 175.799 174.995 0.804 18046
4264 1 8 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.558 1.242 18046
4265 1 8 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.909 -1.509 18046
4266 1 8 . 1 1 17 17 GLU H H 17 9.269 9.269 8.601 0.668 18046
4267 1 8 . 1 1 18 18 ILE N N 18 129.185 129.185 126.437 2.748 18046
4268 1 8 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.084 0.306 18046
4269 1 8 . 1 1 18 18 ILE C C 18 176.202 176.202 174.703 1.499 18046
4270 1 8 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.387 1.313 18046
4271 1 8 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.237 -1.137 18046
4272 1 8 . 1 1 18 18 ILE H H 18 8.814 8.814 8.241 0.573 18046
4273 1 8 . 1 1 19 19 VAL N N 19 127.068 127.068 125.764 1.304 18046
4274 1 8 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.644 0.636 18046
4275 1 8 . 1 1 19 19 VAL C C 19 175.632 175.632 175.874 -0.242 18046
4276 1 8 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.687 -1.087 18046
4277 1 8 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.063 0.437 18046
4278 1 8 . 1 1 19 19 VAL H H 19 8.600 8.600 8.221 0.379 18046
4279 1 8 . 1 1 20 20 ASP N N 20 122.793 122.793 124.150 -1.357 18046
4280 1 8 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.120 0.170 18046
4281 1 8 . 1 1 20 20 ASP C C 20 175.742 175.742 175.000 0.742 18046
4282 1 8 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.465 -0.366 18046
4283 1 8 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.128 -1.128 18046
4284 1 8 . 1 1 20 20 ASP H H 20 9.037 9.037 8.397 0.640 18046
4285 1 8 . 1 1 21 21 PHE N N 21 113.443 113.443 123.712 -10.269 18046
4286 1 8 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.700 0.110 18046
4287 1 8 . 1 1 21 21 PHE C C 21 175.062 175.062 175.424 -0.362 18046
4288 1 8 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.371 0.829 18046
4289 1 8 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.173 -0.273 18046
4290 1 8 . 1 1 21 21 PHE H H 21 6.542 6.542 7.600 -1.058 18046
4291 1 8 . 1 1 22 22 THR N N 22 112.200 112.200 112.198 0.002 18046
4292 1 8 . 1 1 22 22 THR HA H 22 4.900 4.900 4.823 0.077 18046
4293 1 8 . 1 1 22 22 THR C C 22 175.307 175.307 175.662 -0.355 18046
4294 1 8 . 1 1 22 22 THR CA C 22 60.400 60.400 60.697 -0.297 18046
4295 1 8 . 1 1 22 22 THR CB C 22 73.300 73.300 70.763 2.537 18046
4296 1 8 . 1 1 22 22 THR H H 22 9.640 9.640 8.232 1.408 18046
4297 1 8 . 1 1 23 23 GLN N N 23 122.406 122.406 118.175 4.231 18046
4298 1 8 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.220 -0.540 18046
4299 1 8 . 1 1 23 23 GLN C C 23 176.527 176.527 177.267 -0.740 18046
4300 1 8 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.934 1.066 18046
4301 1 8 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.902 -0.302 18046
4302 1 8 . 1 1 23 23 GLN H H 23 9.766 9.766 8.714 1.052 18046
4303 1 8 . 1 1 24 24 ASP N N 24 114.153 114.153 120.584 -6.431 18046
4304 1 8 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.459 -0.359 18046
4305 1 8 . 1 1 24 24 ASP C C 24 176.528 176.528 177.293 -0.765 18046
4306 1 8 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.886 -0.986 18046
4307 1 8 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.364 0.396 18046
4308 1 8 . 1 1 24 24 ASP H H 24 7.760 7.760 7.838 -0.078 18046
4309 1 8 . 1 1 25 25 ASP N N 25 116.379 116.379 117.150 -0.771 18046
4310 1 8 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.714 -0.174 18046
4311 1 8 . 1 1 25 25 ASP C C 25 175.059 175.059 175.969 -0.910 18046
4312 1 8 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.061 1.139 18046
4313 1 8 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.786 0.714 18046
4314 1 8 . 1 1 25 25 ASP H H 25 7.655 7.655 8.449 -0.794 18046
4315 1 8 . 1 1 26 26 LEU N N 26 118.095 118.095 123.039 -4.944 18046
4316 1 8 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.140 -0.860 18046
4317 1 8 . 1 1 26 26 LEU C C 26 174.177 174.177 176.639 -2.462 18046
4318 1 8 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.388 -1.488 18046
4319 1 8 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.608 -1.308 18046
4320 1 8 . 1 1 26 26 LEU H H 26 7.309 7.309 7.148 0.161 18046
4321 1 8 . 1 1 27 27 ASP N N 27 127.757 127.757 126.823 0.934 18046
4322 1 8 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.583 0.217 18046
4323 1 8 . 1 1 27 27 ASP C C 27 177.178 177.178 177.073 0.105 18046
4324 1 8 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.077 -0.577 18046
4325 1 8 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.821 1.679 18046
4326 1 8 . 1 1 27 27 ASP H H 27 8.612 8.612 8.165 0.447 18046
4327 1 8 . 1 1 28 28 GLU N N 28 124.674 124.674 119.678 4.996 18046
4328 1 8 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.218 0.172 18046
4329 1 8 . 1 1 28 28 GLU C C 28 175.019 175.019 176.344 -1.325 18046
4330 1 8 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.186 -1.486 18046
4331 1 8 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.391 -0.791 18046
4332 1 8 . 1 1 28 28 GLU H H 28 8.632 8.632 8.866 -0.234 18046
4333 1 8 . 1 1 29 29 ASN N N 29 115.882 115.882 118.107 -2.225 18046
4334 1 8 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.980 -0.350 18046
4335 1 8 . 1 1 29 29 ASN C C 29 175.382 175.382 173.286 2.096 18046
4336 1 8 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.969 -0.169 18046
4337 1 8 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.923 0.077 18046
4338 1 8 . 1 1 29 29 ASN H H 29 9.360 9.360 8.335 1.025 18046
4339 1 8 . 1 1 30 30 ASP N N 30 127.013 127.013 121.636 5.377 18046
4340 1 8 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.714 0.836 18046
4341 1 8 . 1 1 30 30 ASP C C 30 172.009 172.009 174.387 -2.378 18046
4342 1 8 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.302 0.898 18046
4343 1 8 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.078 -0.278 18046
4344 1 8 . 1 1 30 30 ASP H H 30 8.710 8.710 7.870 0.840 18046
4345 1 8 . 1 1 31 31 VAL N N 31 112.784 112.784 120.468 -7.684 18046
4346 1 8 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.151 1.249 18046
4347 1 8 . 1 1 31 31 VAL C C 31 173.273 173.273 175.039 -1.766 18046
4348 1 8 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.010 -2.010 18046
4349 1 8 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.290 3.510 18046
4350 1 8 . 1 1 31 31 VAL H H 31 7.364 7.364 8.363 -0.999 18046
4351 1 8 . 1 1 32 32 TYR N N 32 120.917 120.917 125.735 -4.818 18046
4352 1 8 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.441 0.229 18046
4353 1 8 . 1 1 32 32 TYR C C 32 174.735 174.735 175.147 -0.412 18046
4354 1 8 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.135 1.665 18046
4355 1 8 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.413 1.687 18046
4356 1 8 . 1 1 32 32 TYR H H 32 9.698 9.698 7.900 1.798 18046
4357 1 8 . 1 1 33 33 LEU N N 33 119.790 119.790 121.417 -1.627 18046
4358 1 8 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.628 1.082 18046
4359 1 8 . 1 1 33 33 LEU C C 33 175.551 175.551 175.470 0.081 18046
4360 1 8 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.203 -1.723 18046
4361 1 8 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.776 0.509 18046
4362 1 8 . 1 1 33 33 LEU H H 33 9.111 9.111 8.784 0.327 18046
4363 1 8 . 1 1 34 34 LEU N N 34 125.829 125.829 126.815 -0.986 18046
4364 1 8 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.057 0.353 18046
4365 1 8 . 1 1 34 34 LEU C C 34 174.819 174.819 174.776 0.043 18046
4366 1 8 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.574 -0.254 18046
4367 1 8 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.672 -1.092 18046
4368 1 8 . 1 1 34 34 LEU H H 34 9.847 9.847 8.305 1.542 18046
4369 1 8 . 1 1 35 35 ASP N N 35 126.739 126.739 128.584 -1.845 18046
4370 1 8 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.137 0.003 18046
4371 1 8 . 1 1 35 35 ASP C C 35 176.690 176.690 175.301 1.389 18046
4372 1 8 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.473 0.127 18046
4373 1 8 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.751 0.449 18046
4374 1 8 . 1 1 35 35 ASP H H 35 9.740 9.740 8.777 0.963 18046
4375 1 8 . 1 1 36 36 THR N N 36 118.603 118.603 114.086 4.517 18046
4376 1 8 . 1 1 36 36 THR HA H 36 4.290 4.290 4.274 0.016 18046
4377 1 8 . 1 1 36 36 THR C C 36 175.471 175.471 174.388 1.083 18046
4378 1 8 . 1 1 36 36 THR CA C 36 60.800 60.800 59.451 1.349 18046
4379 1 8 . 1 1 36 36 THR CB C 36 68.500 68.500 70.503 -2.003 18046
4380 1 8 . 1 1 36 36 THR H H 36 8.596 8.596 7.829 0.767 18046
4381 1 8 . 1 1 37 37 TRP N N 37 122.021 122.021 122.565 -0.544 18046
4382 1 8 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.478 -0.428 18046
4383 1 8 . 1 1 37 37 TRP C C 37 177.341 177.341 176.365 0.976 18046
4384 1 8 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.457 2.343 18046
4385 1 8 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.680 -0.680 18046
4386 1 8 . 1 1 37 37 TRP H H 37 9.090 9.090 8.324 0.766 18046
4387 1 8 . 1 1 38 38 ASP N N 38 117.786 117.786 118.530 -0.744 18046
4388 1 8 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.781 -0.391 18046
4389 1 8 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.116 -0.116 18046
4390 1 8 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.097 -0.797 18046
4391 1 8 . 1 1 38 38 ASP H H 38 8.676 8.676 7.826 0.850 18046
4392 1 8 . 1 1 39 39 GLN N N 39 110.693 110.693 114.209 -3.516 18046
4393 1 8 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.477 0.013 18046
4394 1 8 . 1 1 39 39 GLN C C 39 173.398 173.398 174.277 -0.879 18046
4395 1 8 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.154 -0.353 18046
4396 1 8 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.325 0.875 18046
4397 1 8 . 1 1 39 39 GLN H H 39 7.325 7.325 8.115 -0.790 18046
4398 1 8 . 1 1 40 40 ILE N N 40 120.287 120.287 122.415 -2.128 18046
4399 1 8 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.606 0.374 18046
4400 1 8 . 1 1 40 40 ILE C C 40 175.143 175.143 175.658 -0.515 18046
4401 1 8 . 1 1 40 40 ILE CA C 40 60.100 60.100 59.959 0.141 18046
4402 1 8 . 1 1 40 40 ILE CB C 40 39.700 39.700 37.204 2.496 18046
4403 1 8 . 1 1 40 40 ILE H H 40 8.663 8.663 8.610 0.053 18046
4404 1 8 . 1 1 41 41 PHE N N 41 124.653 124.653 126.503 -1.850 18046
4405 1 8 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.927 0.563 18046
4406 1 8 . 1 1 41 41 PHE C C 41 174.167 174.167 175.098 -0.931 18046
4407 1 8 . 1 1 41 41 PHE CA C 41 57.400 57.400 56.762 0.638 18046
4408 1 8 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.244 1.956 18046
4409 1 8 . 1 1 41 41 PHE H H 41 9.555 9.555 9.247 0.308 18046
4410 1 8 . 1 1 42 42 PHE N N 42 128.681 128.681 125.193 3.488 18046
4411 1 8 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.944 0.636 18046
4412 1 8 . 1 1 42 42 PHE C C 42 172.940 172.940 174.904 -1.964 18046
4413 1 8 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.907 -1.207 18046
4414 1 8 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.008 1.992 18046
4415 1 8 . 1 1 42 42 PHE H H 42 9.647 9.647 8.410 1.237 18046
4416 1 8 . 1 1 43 43 TRP N N 43 128.634 128.634 126.545 2.089 18046
4417 1 8 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.839 0.441 18046
4418 1 8 . 1 1 43 43 TRP C C 43 175.877 175.877 174.636 1.241 18046
4419 1 8 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.563 1.437 18046
4420 1 8 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.985 2.215 18046
4421 1 8 . 1 1 43 43 TRP H H 43 9.997 9.997 8.784 1.213 18046
4422 1 8 . 1 1 44 44 ILE N N 44 126.166 126.166 126.577 -0.411 18046
4423 1 8 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.561 -0.411 18046
4424 1 8 . 1 1 44 44 ILE C C 44 175.190 175.190 175.582 -0.392 18046
4425 1 8 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.688 1.812 18046
4426 1 8 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.477 0.823 18046
4427 1 8 . 1 1 44 44 ILE H H 44 8.359 8.359 7.853 0.506 18046
4428 1 8 . 1 1 45 45 GLY N N 45 119.260 119.260 114.240 5.020 18046
4429 1 8 . 1 1 45 45 GLY C C 45 176.163 176.163 174.504 1.659 18046
4430 1 8 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.776 1.824 18046
4431 1 8 . 1 1 45 45 GLY H H 45 7.603 7.603 8.210 -0.607 18046
4432 1 8 . 1 1 46 46 LYS N N 46 124.868 124.868 119.448 5.420 18046
4433 1 8 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.397 -0.327 18046
4434 1 8 . 1 1 46 46 LYS C C 46 177.700 177.700 177.463 0.237 18046
4435 1 8 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.507 1.693 18046
4436 1 8 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.272 -0.871 18046
4437 1 8 . 1 1 46 46 LYS H H 46 9.104 9.104 8.298 0.806 18046
4438 1 8 . 1 1 47 47 GLY N N 47 106.230 106.230 107.076 -0.846 18046
4439 1 8 . 1 1 47 47 GLY C C 47 175.326 175.326 174.084 1.242 18046
4440 1 8 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.198 -0.998 18046
4441 1 8 . 1 1 47 47 GLY H H 47 8.954 8.954 8.255 0.699 18046
4442 1 8 . 1 1 48 48 ALA N N 48 125.925 125.925 123.358 2.567 18046
4443 1 8 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.196 0.424 18046
4444 1 8 . 1 1 48 48 ALA C C 48 177.829 177.829 177.513 0.316 18046
4445 1 8 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.428 0.272 18046
4446 1 8 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.770 1.130 18046
4447 1 8 . 1 1 48 48 ALA H H 48 7.484 7.484 7.889 -0.405 18046
4448 1 8 . 1 1 49 49 ASN N N 49 119.683 119.683 123.372 -3.689 18046
4449 1 8 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.574 0.526 18046
4450 1 8 . 1 1 49 49 ASN C C 49 175.874 175.874 176.964 -1.090 18046
4451 1 8 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.383 -1.783 18046
4452 1 8 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.270 1.730 18046
4453 1 8 . 1 1 49 49 ASN H H 49 8.921 8.921 8.272 0.649 18046
4454 1 8 . 1 1 50 50 GLU N N 50 118.057 118.057 120.624 -2.567 18046
4455 1 8 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.072 -0.072 18046
4456 1 8 . 1 1 50 50 GLU C C 50 178.722 178.722 178.295 0.427 18046
4457 1 8 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.674 -0.074 18046
4458 1 8 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.617 -0.017 18046
4459 1 8 . 1 1 50 50 GLU H H 50 8.828 8.828 8.909 -0.081 18046
4460 1 8 . 1 1 51 51 SER N N 51 115.397 115.397 114.799 0.598 18046
4461 1 8 . 1 1 51 51 SER HA H 51 4.350 4.350 4.207 0.143 18046
4462 1 8 . 1 1 51 51 SER C C 51 177.932 177.932 176.369 1.563 18046
4463 1 8 . 1 1 51 51 SER CA C 51 61.800 61.800 61.566 0.234 18046
4464 1 8 . 1 1 51 51 SER CB C 51 62.700 62.700 63.009 -0.309 18046
4465 1 8 . 1 1 51 51 SER H H 51 8.401 8.401 8.384 0.017 18046
4466 1 8 . 1 1 52 52 GLU N N 52 122.271 122.271 122.051 0.220 18046
4467 1 8 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.104 -0.004 18046
4468 1 8 . 1 1 52 52 GLU C C 52 177.665 177.665 178.508 -0.843 18046
4469 1 8 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.808 -0.608 18046
4470 1 8 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.935 -0.535 18046
4471 1 8 . 1 1 52 52 GLU H H 52 8.566 8.566 8.363 0.203 18046
4472 1 8 . 1 1 53 53 LYS N N 53 119.319 119.319 118.331 0.988 18046
4473 1 8 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.958 0.082 18046
4474 1 8 . 1 1 53 53 LYS C C 53 178.727 178.727 178.455 0.272 18046
4475 1 8 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.179 1.721 18046
4476 1 8 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.186 0.414 18046
4477 1 8 . 1 1 53 53 LYS H H 53 7.704 7.704 7.541 0.163 18046
4478 1 8 . 1 1 54 54 GLU N N 54 119.268 119.268 118.910 0.358 18046
4479 1 8 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.128 -0.068 18046
4480 1 8 . 1 1 54 54 GLU C C 54 179.211 179.211 178.337 0.874 18046
4481 1 8 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.017 0.482 18046
4482 1 8 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.738 0.162 18046
4483 1 8 . 1 1 54 54 GLU H H 54 8.173 8.173 7.351 0.822 18046
4484 1 8 . 1 1 55 55 ALA N N 55 121.311 121.311 121.970 -0.659 18046
4485 1 8 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.825 0.125 18046
4486 1 8 . 1 1 55 55 ALA C C 55 180.920 180.920 179.369 1.551 18046
4487 1 8 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.722 -0.222 18046
4488 1 8 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.168 -1.368 18046
4489 1 8 . 1 1 55 55 ALA H H 55 7.954 7.954 8.454 -0.500 18046
4490 1 8 . 1 1 56 56 ALA N N 56 123.395 123.395 119.505 3.890 18046
4491 1 8 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.140 -0.120 18046
4492 1 8 . 1 1 56 56 ALA C C 56 178.383 178.383 178.986 -0.603 18046
4493 1 8 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.586 0.814 18046
4494 1 8 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.300 1.300 18046
4495 1 8 . 1 1 56 56 ALA H H 56 8.393 8.393 8.142 0.251 18046
4496 1 8 . 1 1 57 57 ALA N N 57 120.754 120.754 120.979 -0.225 18046
4497 1 8 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.035 -0.115 18046
4498 1 8 . 1 1 57 57 ALA C C 57 180.433 180.433 179.954 0.479 18046
4499 1 8 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.817 0.883 18046
4500 1 8 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.389 -0.689 18046
4501 1 8 . 1 1 57 57 ALA H H 57 7.690 7.690 7.372 0.318 18046
4502 1 8 . 1 1 58 58 GLU N N 58 118.337 118.337 118.752 -0.415 18046
4503 1 8 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.076 0.024 18046
4504 1 8 . 1 1 58 58 GLU C C 58 179.210 179.210 179.119 0.091 18046
4505 1 8 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.415 -0.215 18046
4506 1 8 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.876 -0.576 18046
4507 1 8 . 1 1 58 58 GLU H H 58 7.423 7.423 7.913 -0.490 18046
4508 1 8 . 1 1 59 59 THR N N 59 118.744 118.744 116.009 2.735 18046
4509 1 8 . 1 1 59 59 THR HA H 59 3.860 3.860 3.970 -0.110 18046
4510 1 8 . 1 1 59 59 THR C C 59 175.722 175.722 176.025 -0.303 18046
4511 1 8 . 1 1 59 59 THR CA C 59 67.420 67.420 66.303 1.117 18046
4512 1 8 . 1 1 59 59 THR CB C 59 68.590 68.590 68.720 -0.130 18046
4513 1 8 . 1 1 59 59 THR H H 59 8.354 8.354 8.450 -0.096 18046
4514 1 8 . 1 1 60 60 ALA N N 60 122.991 122.991 122.845 0.146 18046
4515 1 8 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.691 0.039 18046
4516 1 8 . 1 1 60 60 ALA C C 60 178.155 178.155 179.298 -1.143 18046
4517 1 8 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.909 0.791 18046
4518 1 8 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.143 -0.343 18046
4519 1 8 . 1 1 60 60 ALA H H 60 8.294 8.294 7.432 0.862 18046
4520 1 8 . 1 1 61 61 GLN N N 61 113.649 113.649 116.986 -3.337 18046
4521 1 8 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.911 0.079 18046
4522 1 8 . 1 1 61 61 GLN C C 61 178.640 178.640 178.172 0.468 18046
4523 1 8 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.665 -0.745 18046
4524 1 8 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.134 0.325 18046
4525 1 8 . 1 1 61 61 GLN H H 61 7.215 7.215 8.148 -0.933 18046
4526 1 8 . 1 1 62 62 GLU N N 62 120.684 120.684 118.562 2.122 18046
4527 1 8 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.010 0.030 18046
4528 1 8 . 1 1 62 62 GLU C C 62 179.047 179.047 178.961 0.086 18046
4529 1 8 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.333 -0.133 18046
4530 1 8 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.274 0.026 18046
4531 1 8 . 1 1 62 62 GLU H H 62 8.126 8.126 7.817 0.309 18046
4532 1 8 . 1 1 63 63 TYR N N 63 122.118 122.118 120.310 1.808 18046
4533 1 8 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.197 0.033 18046
4534 1 8 . 1 1 63 63 TYR C C 63 178.643 178.643 178.075 0.568 18046
4535 1 8 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.912 -0.812 18046
4536 1 8 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.602 -0.802 18046
4537 1 8 . 1 1 63 63 TYR H H 63 8.796 8.796 7.726 1.070 18046
4538 1 8 . 1 1 64 64 LEU N N 64 119.163 119.163 119.816 -0.653 18046
4539 1 8 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.905 -0.225 18046
4540 1 8 . 1 1 64 64 LEU C C 64 178.475 178.475 179.314 -0.839 18046
4541 1 8 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.133 -0.133 18046
4542 1 8 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.544 1.956 18046
4543 1 8 . 1 1 64 64 LEU H H 64 7.799 7.799 7.782 0.017 18046
4544 1 8 . 1 1 65 65 ARG N N 65 116.868 116.868 115.718 1.150 18046
4545 1 8 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.031 0.039 18046
4546 1 8 . 1 1 65 65 ARG C C 65 177.464 177.464 177.206 0.258 18046
4547 1 8 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.296 0.304 18046
4548 1 8 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.959 0.841 18046
4549 1 8 . 1 1 65 65 ARG H H 65 7.842 7.842 7.694 0.148 18046
4550 1 8 . 1 1 66 66 SER N N 66 112.527 112.527 113.089 -0.562 18046
4551 1 8 . 1 1 66 66 SER HA H 66 4.360 4.360 4.215 0.145 18046
4552 1 8 . 1 1 66 66 SER C C 66 174.087 174.087 175.053 -0.966 18046
4553 1 8 . 1 1 66 66 SER CA C 66 59.440 59.440 59.837 -0.397 18046
4554 1 8 . 1 1 66 66 SER CB C 66 64.120 64.120 63.336 0.784 18046
4555 1 8 . 1 1 66 66 SER H H 66 7.907 7.907 7.599 0.308 18046
4556 1 8 . 1 1 67 67 HIS N N 67 123.090 123.090 122.170 0.920 18046
4557 1 8 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.827 -0.167 18046
4558 1 8 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.835 2.565 18046
4559 1 8 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.553 0.047 18046
4560 1 8 . 1 1 67 67 HIS H H 67 7.515 7.515 7.469 0.046 18046
4561 1 8 . 1 1 68 68 PRO C C 68 176.365 176.365 177.045 -0.680 18046
4562 1 8 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.512 5.848 18046
4563 1 8 . 1 1 69 69 GLY N N 69 124.202 124.202 105.345 18.857 18046
4564 1 8 . 1 1 69 69 GLY C C 69 174.331 174.331 173.344 0.987 18046
4565 1 8 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.679 1.021 18046
4566 1 8 . 1 1 69 69 GLY H H 69 8.166 8.166 8.139 0.027 18046
4567 1 8 . 1 1 70 70 SER N N 70 115.467 115.467 116.417 -0.950 18046
4568 1 8 . 1 1 70 70 SER HA H 70 4.450 4.450 4.581 -0.131 18046
4569 1 8 . 1 1 70 70 SER C C 70 174.329 174.329 175.789 -1.460 18046
4570 1 8 . 1 1 70 70 SER CA C 70 58.640 58.640 58.940 -0.300 18046
4571 1 8 . 1 1 70 70 SER CB C 70 63.040 63.040 64.511 -1.472 18046
4572 1 8 . 1 1 70 70 SER H H 70 8.280 8.280 8.660 -0.380 18046
4573 1 8 . 1 1 71 71 ARG N N 71 120.585 120.585 120.925 -0.340 18046
4574 1 8 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.559 -0.329 18046
4575 1 8 . 1 1 71 71 ARG C C 71 175.793 175.793 175.802 -0.009 18046
4576 1 8 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.554 -0.455 18046
4577 1 8 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.420 0.980 18046
4578 1 8 . 1 1 71 71 ARG H H 71 8.341 8.341 8.379 -0.038 18046
4579 1 8 . 1 1 72 72 ASP N N 72 120.258 120.258 118.026 2.232 18046
4580 1 8 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.363 0.077 18046
4581 1 8 . 1 1 72 72 ASP C C 72 178.038 178.038 176.878 1.160 18046
4582 1 8 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.090 -2.560 18046
4583 1 8 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.326 0.444 18046
4584 1 8 . 1 1 72 72 ASP H H 72 8.471 8.471 8.286 0.185 18046
4585 1 8 . 1 1 73 73 LEU N N 73 127.518 127.518 116.188 11.330 18046
4586 1 8 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.230 -0.140 18046
4587 1 8 . 1 1 73 73 LEU C C 73 177.417 177.417 177.276 0.141 18046
4588 1 8 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.136 0.864 18046
4589 1 8 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.605 -1.605 18046
4590 1 8 . 1 1 73 73 LEU H H 73 8.826 8.826 7.772 1.054 18046
4591 1 8 . 1 1 74 74 ASP N N 74 117.787 117.787 116.211 1.576 18046
4592 1 8 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.541 0.199 18046
4593 1 8 . 1 1 74 74 ASP C C 74 175.765 175.765 176.740 -0.975 18046
4594 1 8 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.258 -1.358 18046
4595 1 8 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.787 -0.317 18046
4596 1 8 . 1 1 74 74 ASP H H 74 8.480 8.480 8.142 0.338 18046
4597 1 8 . 1 1 75 75 THR N N 75 119.682 119.682 118.036 1.646 18046
4598 1 8 . 1 1 75 75 THR HA H 75 4.210 4.210 4.407 -0.197 18046
4599 1 8 . 1 1 75 75 THR CA C 75 62.440 62.440 61.357 1.083 18046
4600 1 8 . 1 1 75 75 THR CB C 75 70.940 70.940 68.929 2.011 18046
4601 1 8 . 1 1 75 75 THR H H 75 7.303 7.303 7.697 -0.394 18046
4602 1 8 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.402 -0.162 18046
4603 1 8 . 1 1 76 76 PRO C C 76 174.823 174.823 175.729 -0.906 18046
4604 1 8 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.529 1.071 18046
4605 1 8 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.252 0.848 18046
4606 1 8 . 1 1 77 77 ILE N N 77 121.906 121.906 120.543 1.363 18046
4607 1 8 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.926 1.064 18046
4608 1 8 . 1 1 77 77 ILE C C 77 176.571 176.571 176.475 0.096 18046
4609 1 8 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.401 -0.901 18046
4610 1 8 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.617 -1.517 18046
4611 1 8 . 1 1 77 77 ILE H H 77 8.052 8.052 7.897 0.155 18046
4612 1 8 . 1 1 78 78 ILE N N 78 130.054 130.054 127.980 2.074 18046
4613 1 8 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.033 0.267 18046
4614 1 8 . 1 1 78 78 ILE C C 78 175.471 175.471 175.160 0.311 18046
4615 1 8 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.914 -1.114 18046
4616 1 8 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.246 2.054 18046
4617 1 8 . 1 1 78 78 ILE H H 78 8.977 8.977 8.243 0.734 18046
4618 1 8 . 1 1 79 79 VAL N N 79 130.072 130.072 127.952 2.120 18046
4619 1 8 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.972 0.718 18046
4620 1 8 . 1 1 79 79 VAL C C 79 176.024 176.024 175.793 0.231 18046
4621 1 8 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.372 0.528 18046
4622 1 8 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.213 -0.513 18046
4623 1 8 . 1 1 79 79 VAL H H 79 8.872 8.872 8.026 0.846 18046
4624 1 8 . 1 1 80 80 VAL N N 80 129.055 129.055 126.879 2.176 18046
4625 1 8 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.297 0.123 18046
4626 1 8 . 1 1 80 80 VAL C C 80 173.028 173.028 174.602 -1.574 18046
4627 1 8 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.727 -0.728 18046
4628 1 8 . 1 1 80 80 VAL CB C 80 35.400 35.400 33.930 1.470 18046
4629 1 8 . 1 1 80 80 VAL H H 80 9.608 9.608 8.249 1.359 18046
4630 1 8 . 1 1 81 81 LYS N N 81 123.854 123.854 123.696 0.158 18046
4631 1 8 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.742 -0.572 18046
4632 1 8 . 1 1 81 81 LYS C C 81 175.225 175.225 175.962 -0.737 18046
4633 1 8 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.774 0.326 18046
4634 1 8 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.852 -0.652 18046
4635 1 8 . 1 1 81 81 LYS H H 81 8.441 8.441 8.357 0.084 18046
4636 1 8 . 1 1 82 82 GLN N N 82 121.237 121.237 121.214 0.023 18046
4637 1 8 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.076 -0.116 18046
4638 1 8 . 1 1 82 82 GLN C C 82 177.016 177.016 176.286 0.730 18046
4639 1 8 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.991 -0.491 18046
4640 1 8 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.954 0.146 18046
4641 1 8 . 1 1 82 82 GLN H H 82 6.493 6.493 8.757 -2.264 18046
4642 1 8 . 1 1 83 83 GLY N N 83 118.629 118.629 112.797 5.832 18046
4643 1 8 . 1 1 83 83 GLY C C 83 174.491 174.491 173.543 0.948 18046
4644 1 8 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.245 1.155 18046
4645 1 8 . 1 1 83 83 GLY H H 83 10.072 10.072 8.121 1.951 18046
4646 1 8 . 1 1 84 84 PHE N N 84 120.834 120.834 120.043 0.791 18046
4647 1 8 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.630 0.280 18046
4648 1 8 . 1 1 84 84 PHE C C 84 177.056 177.056 174.337 2.719 18046
4649 1 8 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.250 -0.750 18046
4650 1 8 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.873 -2.173 18046
4651 1 8 . 1 1 84 84 PHE H H 84 8.431 8.431 7.277 1.154 18046
4652 1 8 . 1 1 85 85 GLU N N 85 125.174 125.174 126.061 -0.887 18046
4653 1 8 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.719 -0.609 18046
4654 1 8 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.675 4.205 18046
4655 1 8 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.499 -3.329 18046
4656 1 8 . 1 1 85 85 GLU H H 85 10.207 10.207 8.545 1.662 18046
4657 1 8 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.483 0.267 18046
4658 1 8 . 1 1 87 87 PRO C C 87 178.401 178.401 177.953 0.448 18046
4659 1 8 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.850 -0.350 18046
4660 1 8 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.941 -0.541 18046
4661 1 8 . 1 1 88 88 THR N N 88 107.088 107.088 112.212 -5.124 18046
4662 1 8 . 1 1 88 88 THR HA H 88 4.080 4.080 4.021 0.059 18046
4663 1 8 . 1 1 88 88 THR C C 88 174.325 174.325 175.710 -1.385 18046
4664 1 8 . 1 1 88 88 THR CA C 88 63.200 63.200 64.940 -1.740 18046
4665 1 8 . 1 1 88 88 THR CB C 88 68.300 68.300 68.168 0.132 18046
4666 1 8 . 1 1 88 88 THR H H 88 7.316 7.316 8.111 -0.795 18046
4667 1 8 . 1 1 89 89 PHE N N 89 119.031 119.031 122.269 -3.238 18046
4668 1 8 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.973 -0.053 18046
4669 1 8 . 1 1 89 89 PHE C C 89 175.661 175.661 177.316 -1.655 18046
4670 1 8 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.914 -0.915 18046
4671 1 8 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.858 2.202 18046
4672 1 8 . 1 1 89 89 PHE H H 89 7.437 7.437 7.917 -0.480 18046
4673 1 8 . 1 1 90 90 THR N N 90 107.216 107.216 116.370 -9.154 18046
4674 1 8 . 1 1 90 90 THR HA H 90 3.210 3.210 3.284 -0.074 18046
4675 1 8 . 1 1 90 90 THR C C 90 177.340 177.340 176.647 0.693 18046
4676 1 8 . 1 1 90 90 THR CA C 90 65.000 65.000 67.422 -2.422 18046
4677 1 8 . 1 1 90 90 THR CB C 90 68.200 68.200 67.799 0.401 18046
4678 1 8 . 1 1 90 90 THR H H 90 7.675 7.675 7.950 -0.275 18046
4679 1 8 . 1 1 91 91 GLY N N 91 106.674 106.674 109.116 -2.442 18046
4680 1 8 . 1 1 91 91 GLY C C 91 174.591 174.591 174.730 -0.139 18046
4681 1 8 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.760 0.540 18046
4682 1 8 . 1 1 91 91 GLY H H 91 7.865 7.865 7.380 0.485 18046
4683 1 8 . 1 1 92 92 TRP N N 92 117.951 117.951 118.895 -0.944 18046
4684 1 8 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.300 0.190 18046
4685 1 8 . 1 1 92 92 TRP C C 92 174.042 174.042 175.880 -1.838 18046
4686 1 8 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.881 0.589 18046
4687 1 8 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.211 0.419 18046
4688 1 8 . 1 1 92 92 TRP H H 92 7.018 7.018 7.178 -0.160 18046
4689 1 8 . 1 1 93 93 PHE N N 93 118.863 118.863 115.361 3.502 18046
4690 1 8 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.329 0.281 18046
4691 1 8 . 1 1 93 93 PHE C C 93 175.872 175.872 176.918 -1.046 18046
4692 1 8 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.476 0.424 18046
4693 1 8 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.297 0.503 18046
4694 1 8 . 1 1 93 93 PHE H H 93 7.956 7.956 7.704 0.252 18046
4695 1 8 . 1 1 94 94 MET N N 94 121.781 121.781 118.857 2.924 18046
4696 1 8 . 1 1 94 94 MET HA H 94 4.200 4.200 4.248 -0.048 18046
4697 1 8 . 1 1 94 94 MET C C 94 175.794 175.794 176.241 -0.447 18046
4698 1 8 . 1 1 94 94 MET CA C 94 57.900 57.900 55.301 2.599 18046
4699 1 8 . 1 1 94 94 MET CB C 94 32.300 32.300 32.026 0.274 18046
4700 1 8 . 1 1 94 94 MET H H 94 8.825 8.825 8.669 0.156 18046
4701 1 8 . 1 1 95 95 ALA N N 95 120.648 120.648 122.475 -1.827 18046
4702 1 8 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.384 0.056 18046
4703 1 8 . 1 1 95 95 ALA C C 95 175.600 175.600 176.615 -1.015 18046
4704 1 8 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.070 0.730 18046
4705 1 8 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.656 2.144 18046
4706 1 8 . 1 1 95 95 ALA H H 95 8.037 8.037 7.612 0.425 18046
4707 1 8 . 1 1 96 96 TRP N N 96 121.009 121.009 123.739 -2.730 18046
4708 1 8 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.374 -0.164 18046
4709 1 8 . 1 1 96 96 TRP C C 96 174.409 174.409 176.132 -1.723 18046
4710 1 8 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.645 0.155 18046
4711 1 8 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.967 0.533 18046
4712 1 8 . 1 1 96 96 TRP H H 96 8.481 8.481 8.393 0.088 18046
4713 1 8 . 1 1 97 97 ASP N N 97 128.963 128.963 121.091 7.872 18046
4714 1 8 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.131 -0.041 18046
4715 1 8 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.016 -1.456 18046
4716 1 8 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.929 -0.399 18046
4717 1 8 . 1 1 97 97 ASP H H 97 8.850 8.850 8.859 -0.009 18046
4718 1 8 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.547 -0.037 18046
4719 1 8 . 1 1 98 98 PRO C C 98 177.169 177.169 177.410 -0.241 18046
4720 1 8 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.192 0.008 18046
4721 1 8 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.069 0.501 18046
4722 1 8 . 1 1 99 99 LEU N N 99 118.381 118.381 119.381 -1.000 18046
4723 1 8 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.493 0.037 18046
4724 1 8 . 1 1 99 99 LEU C C 99 177.338 177.338 178.161 -0.823 18046
4725 1 8 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.075 -0.525 18046
4726 1 8 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.398 -0.648 18046
4727 1 8 . 1 1 99 99 LEU H H 99 8.372 8.372 7.739 0.633 18046
4728 1 8 . 1 1 100 100 CYS N N 100 119.396 119.396 118.685 0.711 18046
4729 1 8 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.199 -0.589 18046
4730 1 8 . 1 1 100 100 CYS C C 100 174.820 174.820 174.873 -0.053 18046
4731 1 8 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.198 0.302 18046
4732 1 8 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.472 0.828 18046
4733 1 8 . 1 1 100 100 CYS H H 100 7.052 7.052 8.063 -1.011 18046
4734 1 8 . 1 1 101 101 TRP N N 101 115.737 115.737 120.995 -5.258 18046
4735 1 8 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.696 0.084 18046
4736 1 8 . 1 1 101 101 TRP C C 101 176.485 176.485 176.590 -0.105 18046
4737 1 8 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.392 1.508 18046
4738 1 8 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.073 -0.973 18046
4739 1 8 . 1 1 101 101 TRP H H 101 7.625 7.625 7.883 -0.258 18046
4740 1 8 . 1 1 102 102 SER N N 102 115.896 115.896 115.730 0.166 18046
4741 1 8 . 1 1 102 102 SER HA H 102 4.520 4.520 4.250 0.270 18046
4742 1 8 . 1 1 102 102 SER C C 102 174.333 174.333 175.291 -0.958 18046
4743 1 8 . 1 1 102 102 SER CA C 102 59.200 59.200 61.528 -2.328 18046
4744 1 8 . 1 1 102 102 SER CB C 102 64.100 64.100 62.954 1.146 18046
4745 1 8 . 1 1 102 102 SER H H 102 7.916 7.916 7.771 0.145 18046
4746 1 8 . 1 1 103 103 ASP N N 103 122.262 122.262 120.584 1.678 18046
4747 1 8 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.820 -0.160 18046
4748 1 8 . 1 1 103 103 ASP C C 103 176.129 176.129 178.381 -2.252 18046
4749 1 8 . 1 1 103 103 ASP CA C 103 54.700 54.700 56.394 -1.694 18046
4750 1 8 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.167 -0.168 18046
4751 1 8 . 1 1 103 103 ASP H H 103 8.450 8.450 7.795 0.655 18046
4752 1 8 . 1 1 104 104 ARG N N 104 120.795 120.795 119.231 1.564 18046
4753 1 8 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.076 0.254 18046
4754 1 8 . 1 1 104 104 ARG C C 104 176.283 176.283 177.971 -1.688 18046
4755 1 8 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.525 -2.325 18046
4756 1 8 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.778 0.972 18046
4757 1 8 . 1 1 104 104 ARG H H 104 8.117 8.117 8.417 -0.300 18046
4758 1 8 . 1 1 105 105 LYS N N 105 122.131 122.131 116.869 5.262 18046
4759 1 8 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.354 -0.009 18046
4760 1 8 . 1 1 105 105 LYS C C 105 176.284 176.284 176.524 -0.240 18046
4761 1 8 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.077 -0.777 18046
4762 1 8 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.146 -0.046 18046
4763 1 8 . 1 1 105 105 LYS H H 105 8.294 8.294 7.702 0.592 18046
4764 1 8 . 1 1 106 106 SER N N 106 116.993 116.993 115.080 1.913 18046
4765 1 8 . 1 1 106 106 SER HA H 106 4.470 4.470 4.558 -0.088 18046
4766 1 8 . 1 1 106 106 SER CA C 106 58.300 58.300 57.575 0.725 18046
4767 1 8 . 1 1 106 106 SER CB C 106 64.200 64.200 64.570 -0.370 18046
4768 1 8 . 1 1 106 106 SER H H 106 8.235 8.235 7.715 0.520 18046
4769 1 9 . 1 1 2 2 ARG N N 2 117.203 117.203 118.671 -1.468 18046
4770 1 9 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.363 0.687 18046
4771 1 9 . 1 1 2 2 ARG C C 2 172.726 172.726 174.457 -1.731 18046
4772 1 9 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.688 0.512 18046
4773 1 9 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.805 -2.905 18046
4774 1 9 . 1 1 2 2 ARG H H 2 8.108 8.108 7.619 0.489 18046
4775 1 9 . 1 1 3 3 LEU N N 3 125.261 125.261 120.214 5.047 18046
4776 1 9 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.850 0.370 18046
4777 1 9 . 1 1 3 3 LEU C C 3 174.166 174.166 175.621 -1.455 18046
4778 1 9 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.466 -0.466 18046
4779 1 9 . 1 1 3 3 LEU CB C 3 45.400 45.400 44.577 0.823 18046
4780 1 9 . 1 1 3 3 LEU H H 3 8.542 8.542 8.176 0.366 18046
4781 1 9 . 1 1 4 4 PHE N N 4 123.490 123.490 116.180 7.310 18046
4782 1 9 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.809 0.291 18046
4783 1 9 . 1 1 4 4 PHE C C 4 174.820 174.820 174.556 0.264 18046
4784 1 9 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.204 -0.914 18046
4785 1 9 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.832 0.518 18046
4786 1 9 . 1 1 4 4 PHE H H 4 9.591 9.591 8.635 0.956 18046
4787 1 9 . 1 1 5 5 GLU N N 5 125.718 125.718 125.306 0.412 18046
4788 1 9 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.910 -0.890 18046
4789 1 9 . 1 1 5 5 GLU C C 5 174.892 174.892 175.958 -1.066 18046
4790 1 9 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.539 -0.439 18046
4791 1 9 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.363 2.487 18046
4792 1 9 . 1 1 5 5 GLU H H 5 9.484 9.484 8.577 0.907 18046
4793 1 9 . 1 1 6 6 CYS N N 6 127.915 127.915 126.272 1.643 18046
4794 1 9 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.089 -0.069 18046
4795 1 9 . 1 1 6 6 CYS C C 6 172.378 172.378 173.934 -1.556 18046
4796 1 9 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.003 0.997 18046
4797 1 9 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.010 1.290 18046
4798 1 9 . 1 1 6 6 CYS H H 6 8.937 8.937 8.270 0.667 18046
4799 1 9 . 1 1 7 7 SER N N 7 113.574 113.574 119.002 -5.428 18046
4800 1 9 . 1 1 7 7 SER HA H 7 5.420 5.420 4.897 0.523 18046
4801 1 9 . 1 1 7 7 SER C C 7 175.632 175.632 172.775 2.857 18046
4802 1 9 . 1 1 7 7 SER CA C 7 55.400 55.400 56.761 -1.361 18046
4803 1 9 . 1 1 7 7 SER CB C 7 65.900 65.900 66.241 -0.341 18046
4804 1 9 . 1 1 7 7 SER H H 7 7.873 7.873 8.216 -0.343 18046
4805 1 9 . 1 1 8 8 ASN N N 8 126.153 126.153 121.767 4.386 18046
4806 1 9 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.133 0.507 18046
4807 1 9 . 1 1 8 8 ASN C C 8 178.392 178.392 175.769 2.623 18046
4808 1 9 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.518 -1.018 18046
4809 1 9 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.216 -1.116 18046
4810 1 9 . 1 1 8 8 ASN H H 8 10.299 10.299 8.659 1.640 18046
4811 1 9 . 1 1 9 9 LYS N N 9 123.420 123.420 123.553 -0.133 18046
4812 1 9 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.168 0.062 18046
4813 1 9 . 1 1 9 9 LYS C C 9 177.891 177.891 177.299 0.592 18046
4814 1 9 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.098 0.702 18046
4815 1 9 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.825 -0.925 18046
4816 1 9 . 1 1 9 9 LYS H H 9 9.064 9.064 8.489 0.575 18046
4817 1 9 . 1 1 10 10 THR N N 10 110.292 110.292 108.527 1.765 18046
4818 1 9 . 1 1 10 10 THR HA H 10 4.480 4.480 4.471 0.009 18046
4819 1 9 . 1 1 10 10 THR C C 10 175.392 175.392 175.795 -0.403 18046
4820 1 9 . 1 1 10 10 THR CA C 10 63.100 63.100 62.363 0.737 18046
4821 1 9 . 1 1 10 10 THR CB C 10 70.100 70.100 70.009 0.091 18046
4822 1 9 . 1 1 10 10 THR H H 10 8.525 8.525 7.887 0.638 18046
4823 1 9 . 1 1 11 11 GLY N N 11 110.668 110.668 110.170 0.498 18046
4824 1 9 . 1 1 11 11 GLY C C 11 172.867 172.867 173.634 -0.767 18046
4825 1 9 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.113 -0.413 18046
4826 1 9 . 1 1 11 11 GLY H H 11 8.266 8.266 8.108 0.158 18046
4827 1 9 . 1 1 12 12 ARG N N 12 118.170 118.170 120.281 -2.111 18046
4828 1 9 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.705 -0.045 18046
4829 1 9 . 1 1 12 12 ARG C C 12 173.924 173.924 174.592 -0.668 18046
4830 1 9 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.729 -0.829 18046
4831 1 9 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.920 -0.120 18046
4832 1 9 . 1 1 12 12 ARG H H 12 7.538 7.538 7.828 -0.290 18046
4833 1 9 . 1 1 13 13 PHE N N 13 121.956 121.956 123.197 -1.241 18046
4834 1 9 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.613 -0.079 18046
4835 1 9 . 1 1 13 13 PHE C C 13 174.005 174.005 174.301 -0.296 18046
4836 1 9 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.546 1.954 18046
4837 1 9 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.928 -0.928 18046
4838 1 9 . 1 1 13 13 PHE H H 13 8.926 8.926 8.630 0.296 18046
4839 1 9 . 1 1 14 14 LEU N N 14 129.824 129.824 127.160 2.664 18046
4840 1 9 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.237 0.073 18046
4841 1 9 . 1 1 14 14 LEU C C 14 173.801 173.801 174.136 -0.335 18046
4842 1 9 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.913 1.288 18046
4843 1 9 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.078 1.522 18046
4844 1 9 . 1 1 14 14 LEU H H 14 8.114 8.114 7.319 0.795 18046
4845 1 9 . 1 1 15 15 ALA N N 15 125.201 125.201 125.417 -0.216 18046
4846 1 9 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.395 1.135 18046
4847 1 9 . 1 1 15 15 ALA C C 15 177.178 177.178 176.555 0.623 18046
4848 1 9 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.351 -1.551 18046
4849 1 9 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.256 0.544 18046
4850 1 9 . 1 1 15 15 ALA H H 15 8.234 8.234 8.188 0.046 18046
4851 1 9 . 1 1 16 16 THR N N 16 119.393 119.393 118.682 0.711 18046
4852 1 9 . 1 1 16 16 THR HA H 16 4.654 4.654 4.549 0.105 18046
4853 1 9 . 1 1 16 16 THR C C 16 173.434 173.434 172.519 0.915 18046
4854 1 9 . 1 1 16 16 THR CA C 16 61.261 61.261 60.797 0.464 18046
4855 1 9 . 1 1 16 16 THR CB C 16 71.500 71.500 71.411 0.089 18046
4856 1 9 . 1 1 16 16 THR H H 16 9.149 9.149 8.068 1.081 18046
4857 1 9 . 1 1 17 17 GLU N N 17 128.928 128.928 123.161 5.767 18046
4858 1 9 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.547 -0.157 18046
4859 1 9 . 1 1 17 17 GLU C C 17 175.799 175.799 174.981 0.818 18046
4860 1 9 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.741 2.059 18046
4861 1 9 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.827 -2.427 18046
4862 1 9 . 1 1 17 17 GLU H H 17 9.269 9.269 8.538 0.731 18046
4863 1 9 . 1 1 18 18 ILE N N 18 129.185 129.185 126.099 3.086 18046
4864 1 9 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.063 0.327 18046
4865 1 9 . 1 1 18 18 ILE C C 18 176.202 176.202 174.664 1.538 18046
4866 1 9 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.401 1.299 18046
4867 1 9 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.638 -1.538 18046
4868 1 9 . 1 1 18 18 ILE H H 18 8.814 8.814 8.328 0.486 18046
4869 1 9 . 1 1 19 19 VAL N N 19 127.068 127.068 125.842 1.226 18046
4870 1 9 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.721 0.559 18046
4871 1 9 . 1 1 19 19 VAL C C 19 175.632 175.632 176.291 -0.659 18046
4872 1 9 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.870 -1.270 18046
4873 1 9 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.156 0.344 18046
4874 1 9 . 1 1 19 19 VAL H H 19 8.600 8.600 7.964 0.636 18046
4875 1 9 . 1 1 20 20 ASP N N 20 122.793 122.793 123.468 -0.675 18046
4876 1 9 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.134 0.156 18046
4877 1 9 . 1 1 20 20 ASP C C 20 175.742 175.742 175.240 0.502 18046
4878 1 9 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.389 -0.289 18046
4879 1 9 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.927 -0.927 18046
4880 1 9 . 1 1 20 20 ASP H H 20 9.037 9.037 8.280 0.757 18046
4881 1 9 . 1 1 21 21 PHE N N 21 113.443 113.443 123.267 -9.824 18046
4882 1 9 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.678 0.132 18046
4883 1 9 . 1 1 21 21 PHE C C 21 175.062 175.062 175.305 -0.243 18046
4884 1 9 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.241 0.959 18046
4885 1 9 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.338 -0.438 18046
4886 1 9 . 1 1 21 21 PHE H H 21 6.542 6.542 7.484 -0.942 18046
4887 1 9 . 1 1 22 22 THR N N 22 112.200 112.200 111.735 0.465 18046
4888 1 9 . 1 1 22 22 THR HA H 22 4.900 4.900 4.764 0.136 18046
4889 1 9 . 1 1 22 22 THR C C 22 175.307 175.307 175.880 -0.573 18046
4890 1 9 . 1 1 22 22 THR CA C 22 60.400 60.400 60.337 0.063 18046
4891 1 9 . 1 1 22 22 THR CB C 22 73.300 73.300 71.664 1.636 18046
4892 1 9 . 1 1 22 22 THR H H 22 9.640 9.640 8.398 1.242 18046
4893 1 9 . 1 1 23 23 GLN N N 23 122.406 122.406 119.868 2.538 18046
4894 1 9 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.094 -0.414 18046
4895 1 9 . 1 1 23 23 GLN C C 23 176.527 176.527 177.124 -0.597 18046
4896 1 9 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.502 0.498 18046
4897 1 9 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.181 -0.581 18046
4898 1 9 . 1 1 23 23 GLN H H 23 9.766 9.766 8.768 0.998 18046
4899 1 9 . 1 1 24 24 ASP N N 24 114.153 114.153 119.948 -5.795 18046
4900 1 9 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.449 -0.349 18046
4901 1 9 . 1 1 24 24 ASP C C 24 176.528 176.528 177.328 -0.800 18046
4902 1 9 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.907 -1.006 18046
4903 1 9 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.540 0.220 18046
4904 1 9 . 1 1 24 24 ASP H H 24 7.760 7.760 7.772 -0.012 18046
4905 1 9 . 1 1 25 25 ASP N N 25 116.379 116.379 117.123 -0.744 18046
4906 1 9 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.708 -0.168 18046
4907 1 9 . 1 1 25 25 ASP C C 25 175.059 175.059 175.914 -0.855 18046
4908 1 9 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.959 1.240 18046
4909 1 9 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.789 0.710 18046
4910 1 9 . 1 1 25 25 ASP H H 25 7.655 7.655 7.987 -0.332 18046
4911 1 9 . 1 1 26 26 LEU N N 26 118.095 118.095 122.879 -4.784 18046
4912 1 9 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.153 -0.873 18046
4913 1 9 . 1 1 26 26 LEU C C 26 174.177 174.177 176.515 -2.338 18046
4914 1 9 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.394 -1.494 18046
4915 1 9 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.727 -1.427 18046
4916 1 9 . 1 1 26 26 LEU H H 26 7.309 7.309 7.158 0.151 18046
4917 1 9 . 1 1 27 27 ASP N N 27 127.757 127.757 127.240 0.517 18046
4918 1 9 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.575 0.225 18046
4919 1 9 . 1 1 27 27 ASP C C 27 177.178 177.178 177.143 0.035 18046
4920 1 9 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.535 -1.035 18046
4921 1 9 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.841 1.659 18046
4922 1 9 . 1 1 27 27 ASP H H 27 8.612 8.612 8.166 0.446 18046
4923 1 9 . 1 1 28 28 GLU N N 28 124.674 124.674 120.014 4.660 18046
4924 1 9 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.244 0.146 18046
4925 1 9 . 1 1 28 28 GLU C C 28 175.019 175.019 176.591 -1.572 18046
4926 1 9 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.349 -1.649 18046
4927 1 9 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.358 -0.758 18046
4928 1 9 . 1 1 28 28 GLU H H 28 8.632 8.632 8.899 -0.267 18046
4929 1 9 . 1 1 29 29 ASN N N 29 115.882 115.882 118.437 -2.555 18046
4930 1 9 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.012 -0.382 18046
4931 1 9 . 1 1 29 29 ASN C C 29 175.382 175.382 173.311 2.071 18046
4932 1 9 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.945 -0.145 18046
4933 1 9 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.937 0.063 18046
4934 1 9 . 1 1 29 29 ASN H H 29 9.360 9.360 8.431 0.929 18046
4935 1 9 . 1 1 30 30 ASP N N 30 127.013 127.013 121.569 5.444 18046
4936 1 9 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.720 0.830 18046
4937 1 9 . 1 1 30 30 ASP C C 30 172.009 172.009 174.443 -2.434 18046
4938 1 9 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.322 0.878 18046
4939 1 9 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.902 -0.102 18046
4940 1 9 . 1 1 30 30 ASP H H 30 8.710 8.710 7.877 0.833 18046
4941 1 9 . 1 1 31 31 VAL N N 31 112.784 112.784 120.685 -7.901 18046
4942 1 9 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.227 1.173 18046
4943 1 9 . 1 1 31 31 VAL C C 31 173.273 173.273 175.068 -1.795 18046
4944 1 9 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.886 -1.886 18046
4945 1 9 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.192 3.608 18046
4946 1 9 . 1 1 31 31 VAL H H 31 7.364 7.364 8.411 -1.047 18046
4947 1 9 . 1 1 32 32 TYR N N 32 120.917 120.917 126.199 -5.282 18046
4948 1 9 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.428 0.242 18046
4949 1 9 . 1 1 32 32 TYR C C 32 174.735 174.735 175.316 -0.581 18046
4950 1 9 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.153 1.647 18046
4951 1 9 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.259 1.841 18046
4952 1 9 . 1 1 32 32 TYR H H 32 9.698 9.698 7.904 1.794 18046
4953 1 9 . 1 1 33 33 LEU N N 33 119.790 119.790 120.130 -0.340 18046
4954 1 9 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.671 1.039 18046
4955 1 9 . 1 1 33 33 LEU C C 33 175.551 175.551 175.287 0.264 18046
4956 1 9 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.801 -2.321 18046
4957 1 9 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.700 -0.415 18046
4958 1 9 . 1 1 33 33 LEU H H 33 9.111 9.111 8.752 0.359 18046
4959 1 9 . 1 1 34 34 LEU N N 34 125.829 125.829 127.313 -1.484 18046
4960 1 9 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.038 0.372 18046
4961 1 9 . 1 1 34 34 LEU C C 34 174.819 174.819 174.809 0.010 18046
4962 1 9 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.534 -0.214 18046
4963 1 9 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.259 -0.679 18046
4964 1 9 . 1 1 34 34 LEU H H 34 9.847 9.847 8.327 1.520 18046
4965 1 9 . 1 1 35 35 ASP N N 35 126.739 126.739 128.673 -1.934 18046
4966 1 9 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.038 0.102 18046
4967 1 9 . 1 1 35 35 ASP C C 35 176.690 176.690 175.359 1.331 18046
4968 1 9 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.995 -0.395 18046
4969 1 9 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.032 1.168 18046
4970 1 9 . 1 1 35 35 ASP H H 35 9.740 9.740 8.674 1.066 18046
4971 1 9 . 1 1 36 36 THR N N 36 118.603 118.603 114.111 4.492 18046
4972 1 9 . 1 1 36 36 THR HA H 36 4.290 4.290 4.283 0.007 18046
4973 1 9 . 1 1 36 36 THR C C 36 175.471 175.471 174.459 1.012 18046
4974 1 9 . 1 1 36 36 THR CA C 36 60.800 60.800 59.392 1.407 18046
4975 1 9 . 1 1 36 36 THR CB C 36 68.500 68.500 70.617 -2.117 18046
4976 1 9 . 1 1 36 36 THR H H 36 8.596 8.596 7.788 0.808 18046
4977 1 9 . 1 1 37 37 TRP N N 37 122.021 122.021 122.391 -0.370 18046
4978 1 9 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.436 -0.386 18046
4979 1 9 . 1 1 37 37 TRP C C 37 177.341 177.341 176.287 1.054 18046
4980 1 9 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.296 2.504 18046
4981 1 9 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.508 -0.508 18046
4982 1 9 . 1 1 37 37 TRP H H 37 9.090 9.090 8.324 0.766 18046
4983 1 9 . 1 1 38 38 ASP N N 38 117.786 117.786 118.081 -0.295 18046
4984 1 9 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.771 -0.381 18046
4985 1 9 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.067 -0.067 18046
4986 1 9 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.327 -1.027 18046
4987 1 9 . 1 1 38 38 ASP H H 38 8.676 8.676 7.759 0.917 18046
4988 1 9 . 1 1 39 39 GLN N N 39 110.693 110.693 114.422 -3.729 18046
4989 1 9 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.470 0.020 18046
4990 1 9 . 1 1 39 39 GLN C C 39 173.398 173.398 174.316 -0.918 18046
4991 1 9 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.429 -0.629 18046
4992 1 9 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.568 0.632 18046
4993 1 9 . 1 1 39 39 GLN H H 39 7.325 7.325 7.941 -0.616 18046
4994 1 9 . 1 1 40 40 ILE N N 40 120.287 120.287 122.546 -2.259 18046
4995 1 9 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.665 0.315 18046
4996 1 9 . 1 1 40 40 ILE C C 40 175.143 175.143 175.574 -0.431 18046
4997 1 9 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.507 -1.407 18046
4998 1 9 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.835 0.865 18046
4999 1 9 . 1 1 40 40 ILE H H 40 8.663 8.663 8.600 0.063 18046
5000 1 9 . 1 1 41 41 PHE N N 41 124.653 124.653 126.864 -2.211 18046
5001 1 9 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.906 0.584 18046
5002 1 9 . 1 1 41 41 PHE C C 41 174.167 174.167 175.159 -0.992 18046
5003 1 9 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.288 0.112 18046
5004 1 9 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.409 1.791 18046
5005 1 9 . 1 1 41 41 PHE H H 41 9.555 9.555 9.342 0.213 18046
5006 1 9 . 1 1 42 42 PHE N N 42 128.681 128.681 125.326 3.355 18046
5007 1 9 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.945 0.635 18046
5008 1 9 . 1 1 42 42 PHE C C 42 172.940 172.940 174.903 -1.963 18046
5009 1 9 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.800 -1.100 18046
5010 1 9 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.976 2.024 18046
5011 1 9 . 1 1 42 42 PHE H H 42 9.647 9.647 8.408 1.239 18046
5012 1 9 . 1 1 43 43 TRP N N 43 128.634 128.634 125.987 2.647 18046
5013 1 9 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.820 0.460 18046
5014 1 9 . 1 1 43 43 TRP C C 43 175.877 175.877 174.616 1.261 18046
5015 1 9 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.724 1.276 18046
5016 1 9 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.101 2.099 18046
5017 1 9 . 1 1 43 43 TRP H H 43 9.997 9.997 8.827 1.170 18046
5018 1 9 . 1 1 44 44 ILE N N 44 126.166 126.166 126.267 -0.101 18046
5019 1 9 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.509 -0.359 18046
5020 1 9 . 1 1 44 44 ILE C C 44 175.190 175.190 175.492 -0.302 18046
5021 1 9 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.293 0.207 18046
5022 1 9 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.738 -0.438 18046
5023 1 9 . 1 1 44 44 ILE H H 44 8.359 8.359 7.822 0.537 18046
5024 1 9 . 1 1 45 45 GLY N N 45 119.260 119.260 114.251 5.009 18046
5025 1 9 . 1 1 45 45 GLY C C 45 176.163 176.163 174.497 1.666 18046
5026 1 9 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.745 1.855 18046
5027 1 9 . 1 1 45 45 GLY H H 45 7.603 7.603 8.169 -0.566 18046
5028 1 9 . 1 1 46 46 LYS N N 46 124.868 124.868 119.409 5.459 18046
5029 1 9 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046
5030 1 9 . 1 1 46 46 LYS C C 46 177.700 177.700 177.432 0.268 18046
5031 1 9 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.509 1.691 18046
5032 1 9 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.289 -0.889 18046
5033 1 9 . 1 1 46 46 LYS H H 46 9.104 9.104 8.352 0.752 18046
5034 1 9 . 1 1 47 47 GLY N N 47 106.230 106.230 107.511 -1.281 18046
5035 1 9 . 1 1 47 47 GLY C C 47 175.326 175.326 174.009 1.317 18046
5036 1 9 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.324 -1.124 18046
5037 1 9 . 1 1 47 47 GLY H H 47 8.954 8.954 8.108 0.846 18046
5038 1 9 . 1 1 48 48 ALA N N 48 125.925 125.925 122.842 3.083 18046
5039 1 9 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.194 0.426 18046
5040 1 9 . 1 1 48 48 ALA C C 48 177.829 177.829 177.450 0.379 18046
5041 1 9 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.370 0.330 18046
5042 1 9 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.900 1.000 18046
5043 1 9 . 1 1 48 48 ALA H H 48 7.484 7.484 7.830 -0.346 18046
5044 1 9 . 1 1 49 49 ASN N N 49 119.683 119.683 122.730 -3.047 18046
5045 1 9 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.544 0.556 18046
5046 1 9 . 1 1 49 49 ASN C C 49 175.874 175.874 176.974 -1.100 18046
5047 1 9 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.925 -2.325 18046
5048 1 9 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.339 1.661 18046
5049 1 9 . 1 1 49 49 ASN H H 49 8.921 8.921 8.346 0.575 18046
5050 1 9 . 1 1 50 50 GLU N N 50 118.057 118.057 121.043 -2.986 18046
5051 1 9 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.096 -0.096 18046
5052 1 9 . 1 1 50 50 GLU C C 50 178.722 178.722 178.488 0.234 18046
5053 1 9 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.869 -0.269 18046
5054 1 9 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.526 0.074 18046
5055 1 9 . 1 1 50 50 GLU H H 50 8.828 8.828 8.945 -0.117 18046
5056 1 9 . 1 1 51 51 SER N N 51 115.397 115.397 114.903 0.494 18046
5057 1 9 . 1 1 51 51 SER HA H 51 4.350 4.350 4.183 0.167 18046
5058 1 9 . 1 1 51 51 SER C C 51 177.932 177.932 176.277 1.655 18046
5059 1 9 . 1 1 51 51 SER CA C 51 61.800 61.800 61.288 0.512 18046
5060 1 9 . 1 1 51 51 SER CB C 51 62.700 62.700 63.068 -0.368 18046
5061 1 9 . 1 1 51 51 SER H H 51 8.401 8.401 8.336 0.065 18046
5062 1 9 . 1 1 52 52 GLU N N 52 122.271 122.271 121.782 0.489 18046
5063 1 9 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.106 -0.006 18046
5064 1 9 . 1 1 52 52 GLU C C 52 177.665 177.665 178.450 -0.785 18046
5065 1 9 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.691 -0.491 18046
5066 1 9 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.001 -0.601 18046
5067 1 9 . 1 1 52 52 GLU H H 52 8.566 8.566 8.315 0.251 18046
5068 1 9 . 1 1 53 53 LYS N N 53 119.319 119.319 118.361 0.958 18046
5069 1 9 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.965 0.075 18046
5070 1 9 . 1 1 53 53 LYS C C 53 178.727 178.727 178.450 0.277 18046
5071 1 9 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.182 1.718 18046
5072 1 9 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.173 0.427 18046
5073 1 9 . 1 1 53 53 LYS H H 53 7.704 7.704 7.559 0.145 18046
5074 1 9 . 1 1 54 54 GLU N N 54 119.268 119.268 118.938 0.330 18046
5075 1 9 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.118 -0.058 18046
5076 1 9 . 1 1 54 54 GLU C C 54 179.211 179.211 178.324 0.887 18046
5077 1 9 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.045 0.455 18046
5078 1 9 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.688 0.212 18046
5079 1 9 . 1 1 54 54 GLU H H 54 8.173 8.173 7.308 0.865 18046
5080 1 9 . 1 1 55 55 ALA N N 55 121.311 121.311 121.933 -0.622 18046
5081 1 9 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.816 0.134 18046
5082 1 9 . 1 1 55 55 ALA C C 55 180.920 180.920 179.351 1.569 18046
5083 1 9 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.702 -0.202 18046
5084 1 9 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.139 -1.339 18046
5085 1 9 . 1 1 55 55 ALA H H 55 7.954 7.954 8.346 -0.392 18046
5086 1 9 . 1 1 56 56 ALA N N 56 123.395 123.395 119.401 3.994 18046
5087 1 9 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.142 -0.122 18046
5088 1 9 . 1 1 56 56 ALA C C 56 178.383 178.383 178.939 -0.556 18046
5089 1 9 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.579 0.821 18046
5090 1 9 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.316 1.284 18046
5091 1 9 . 1 1 56 56 ALA H H 56 8.393 8.393 8.088 0.305 18046
5092 1 9 . 1 1 57 57 ALA N N 57 120.754 120.754 120.930 -0.176 18046
5093 1 9 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.900 0.020 18046
5094 1 9 . 1 1 57 57 ALA C C 57 180.433 180.433 179.544 0.889 18046
5095 1 9 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.675 1.025 18046
5096 1 9 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.543 -0.843 18046
5097 1 9 . 1 1 57 57 ALA H H 57 7.690 7.690 7.351 0.339 18046
5098 1 9 . 1 1 58 58 GLU N N 58 118.337 118.337 118.694 -0.357 18046
5099 1 9 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.097 0.003 18046
5100 1 9 . 1 1 58 58 GLU C C 58 179.210 179.210 179.106 0.104 18046
5101 1 9 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.368 -0.168 18046
5102 1 9 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.868 -0.568 18046
5103 1 9 . 1 1 58 58 GLU H H 58 7.423 7.423 7.887 -0.464 18046
5104 1 9 . 1 1 59 59 THR N N 59 118.744 118.744 116.032 2.712 18046
5105 1 9 . 1 1 59 59 THR HA H 59 3.860 3.860 3.972 -0.112 18046
5106 1 9 . 1 1 59 59 THR C C 59 175.722 175.722 176.108 -0.386 18046
5107 1 9 . 1 1 59 59 THR CA C 59 67.420 67.420 66.036 1.384 18046
5108 1 9 . 1 1 59 59 THR CB C 59 68.590 68.590 68.742 -0.152 18046
5109 1 9 . 1 1 59 59 THR H H 59 8.354 8.354 8.467 -0.113 18046
5110 1 9 . 1 1 60 60 ALA N N 60 122.991 122.991 122.792 0.199 18046
5111 1 9 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.821 -0.091 18046
5112 1 9 . 1 1 60 60 ALA C C 60 178.155 178.155 179.372 -1.217 18046
5113 1 9 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.783 0.917 18046
5114 1 9 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.167 -0.367 18046
5115 1 9 . 1 1 60 60 ALA H H 60 8.294 8.294 7.507 0.787 18046
5116 1 9 . 1 1 61 61 GLN N N 61 113.649 113.649 117.056 -3.407 18046
5117 1 9 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.913 0.077 18046
5118 1 9 . 1 1 61 61 GLN C C 61 178.640 178.640 178.269 0.371 18046
5119 1 9 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.373 -0.453 18046
5120 1 9 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.256 0.204 18046
5121 1 9 . 1 1 61 61 GLN H H 61 7.215 7.215 7.903 -0.688 18046
5122 1 9 . 1 1 62 62 GLU N N 62 120.684 120.684 118.165 2.519 18046
5123 1 9 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.038 0.002 18046
5124 1 9 . 1 1 62 62 GLU C C 62 179.047 179.047 178.142 0.905 18046
5125 1 9 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.240 -0.041 18046
5126 1 9 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.286 0.014 18046
5127 1 9 . 1 1 62 62 GLU H H 62 8.126 8.126 7.816 0.310 18046
5128 1 9 . 1 1 63 63 TYR N N 63 122.118 122.118 119.344 2.774 18046
5129 1 9 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.293 -0.063 18046
5130 1 9 . 1 1 63 63 TYR C C 63 178.643 178.643 177.706 0.937 18046
5131 1 9 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.763 -0.663 18046
5132 1 9 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.070 -1.270 18046
5133 1 9 . 1 1 63 63 TYR H H 63 8.796 8.796 7.692 1.104 18046
5134 1 9 . 1 1 64 64 LEU N N 64 119.163 119.163 120.010 -0.847 18046
5135 1 9 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.016 -0.336 18046
5136 1 9 . 1 1 64 64 LEU C C 64 178.475 178.475 179.204 -0.729 18046
5137 1 9 . 1 1 64 64 LEU CA C 64 58.000 58.000 57.918 0.082 18046
5138 1 9 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.421 2.079 18046
5139 1 9 . 1 1 64 64 LEU H H 64 7.799 7.799 7.804 -0.005 18046
5140 1 9 . 1 1 65 65 ARG N N 65 116.868 116.868 117.190 -0.322 18046
5141 1 9 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.996 0.074 18046
5142 1 9 . 1 1 65 65 ARG C C 65 177.464 177.464 177.887 -0.423 18046
5143 1 9 . 1 1 65 65 ARG CA C 65 58.600 58.600 57.831 0.769 18046
5144 1 9 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.710 1.090 18046
5145 1 9 . 1 1 65 65 ARG H H 65 7.842 7.842 7.591 0.251 18046
5146 1 9 . 1 1 66 66 SER N N 66 112.527 112.527 113.844 -1.317 18046
5147 1 9 . 1 1 66 66 SER HA H 66 4.360 4.360 4.095 0.265 18046
5148 1 9 . 1 1 66 66 SER C C 66 174.087 174.087 174.892 -0.805 18046
5149 1 9 . 1 1 66 66 SER CA C 66 59.440 59.440 60.166 -0.727 18046
5150 1 9 . 1 1 66 66 SER CB C 66 64.120 64.120 63.428 0.692 18046
5151 1 9 . 1 1 66 66 SER H H 66 7.907 7.907 7.965 -0.058 18046
5152 1 9 . 1 1 67 67 HIS N N 67 123.090 123.090 119.281 3.809 18046
5153 1 9 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.820 -0.160 18046
5154 1 9 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.604 1.796 18046
5155 1 9 . 1 1 67 67 HIS CB C 67 29.600 29.600 32.140 -2.540 18046
5156 1 9 . 1 1 67 67 HIS H H 67 7.515 7.515 7.639 -0.124 18046
5157 1 9 . 1 1 68 68 PRO C C 68 176.365 176.365 176.802 -0.437 18046
5158 1 9 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.667 5.693 18046
5159 1 9 . 1 1 69 69 GLY N N 69 124.202 124.202 106.116 18.086 18046
5160 1 9 . 1 1 69 69 GLY C C 69 174.331 174.331 173.327 1.004 18046
5161 1 9 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.506 1.194 18046
5162 1 9 . 1 1 69 69 GLY H H 69 8.166 8.166 8.077 0.089 18046
5163 1 9 . 1 1 70 70 SER N N 70 115.467 115.467 118.026 -2.559 18046
5164 1 9 . 1 1 70 70 SER HA H 70 4.450 4.450 4.499 -0.049 18046
5165 1 9 . 1 1 70 70 SER C C 70 174.329 174.329 175.423 -1.094 18046
5166 1 9 . 1 1 70 70 SER CA C 70 58.640 58.640 59.201 -0.561 18046
5167 1 9 . 1 1 70 70 SER CB C 70 63.040 63.040 63.996 -0.956 18046
5168 1 9 . 1 1 70 70 SER H H 70 8.280 8.280 8.772 -0.492 18046
5169 1 9 . 1 1 71 71 ARG N N 71 120.585 120.585 120.441 0.144 18046
5170 1 9 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.580 -0.350 18046
5171 1 9 . 1 1 71 71 ARG C C 71 175.793 175.793 175.385 0.408 18046
5172 1 9 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.681 -0.581 18046
5173 1 9 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.467 0.933 18046
5174 1 9 . 1 1 71 71 ARG H H 71 8.341 8.341 8.527 -0.186 18046
5175 1 9 . 1 1 72 72 ASP N N 72 120.258 120.258 119.133 1.125 18046
5176 1 9 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.607 -0.167 18046
5177 1 9 . 1 1 72 72 ASP C C 72 178.038 178.038 177.107 0.931 18046
5178 1 9 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.248 -2.717 18046
5179 1 9 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.423 0.347 18046
5180 1 9 . 1 1 72 72 ASP H H 72 8.471 8.471 8.441 0.030 18046
5181 1 9 . 1 1 73 73 LEU N N 73 127.518 127.518 118.122 9.396 18046
5182 1 9 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.157 -0.067 18046
5183 1 9 . 1 1 73 73 LEU C C 73 177.417 177.417 178.121 -0.704 18046
5184 1 9 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.564 -0.564 18046
5185 1 9 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.227 -1.227 18046
5186 1 9 . 1 1 73 73 LEU H H 73 8.826 8.826 7.719 1.107 18046
5187 1 9 . 1 1 74 74 ASP N N 74 117.787 117.787 118.226 -0.439 18046
5188 1 9 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.536 0.204 18046
5189 1 9 . 1 1 74 74 ASP C C 74 175.765 175.765 176.477 -0.712 18046
5190 1 9 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.025 -2.125 18046
5191 1 9 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.855 -0.385 18046
5192 1 9 . 1 1 74 74 ASP H H 74 8.480 8.480 8.316 0.164 18046
5193 1 9 . 1 1 75 75 THR N N 75 119.682 119.682 116.431 3.251 18046
5194 1 9 . 1 1 75 75 THR HA H 75 4.210 4.210 4.824 -0.614 18046
5195 1 9 . 1 1 75 75 THR CA C 75 62.440 62.440 59.291 3.149 18046
5196 1 9 . 1 1 75 75 THR CB C 75 70.940 70.940 69.412 1.528 18046
5197 1 9 . 1 1 75 75 THR H H 75 7.303 7.303 7.918 -0.615 18046
5198 1 9 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.353 -0.113 18046
5199 1 9 . 1 1 76 76 PRO C C 76 174.823 174.823 176.290 -1.467 18046
5200 1 9 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.143 1.457 18046
5201 1 9 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.447 0.653 18046
5202 1 9 . 1 1 77 77 ILE N N 77 121.906 121.906 118.395 3.511 18046
5203 1 9 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.740 1.250 18046
5204 1 9 . 1 1 77 77 ILE C C 77 176.571 176.571 176.692 -0.121 18046
5205 1 9 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.475 -1.975 18046
5206 1 9 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.265 -0.165 18046
5207 1 9 . 1 1 77 77 ILE H H 77 8.052 8.052 7.910 0.142 18046
5208 1 9 . 1 1 78 78 ILE N N 78 130.054 130.054 128.615 1.439 18046
5209 1 9 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.025 0.275 18046
5210 1 9 . 1 1 78 78 ILE C C 78 175.471 175.471 175.291 0.180 18046
5211 1 9 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.650 -0.850 18046
5212 1 9 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.376 1.925 18046
5213 1 9 . 1 1 78 78 ILE H H 78 8.977 8.977 8.125 0.852 18046
5214 1 9 . 1 1 79 79 VAL N N 79 130.072 130.072 128.044 2.028 18046
5215 1 9 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.944 0.746 18046
5216 1 9 . 1 1 79 79 VAL C C 79 176.024 176.024 175.782 0.242 18046
5217 1 9 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.633 0.267 18046
5218 1 9 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.157 -0.457 18046
5219 1 9 . 1 1 79 79 VAL H H 79 8.872 8.872 8.077 0.795 18046
5220 1 9 . 1 1 80 80 VAL N N 80 129.055 129.055 126.570 2.485 18046
5221 1 9 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.316 0.104 18046
5222 1 9 . 1 1 80 80 VAL C C 80 173.028 173.028 174.634 -1.606 18046
5223 1 9 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.520 -0.520 18046
5224 1 9 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.387 1.013 18046
5225 1 9 . 1 1 80 80 VAL H H 80 9.608 9.608 8.203 1.405 18046
5226 1 9 . 1 1 81 81 LYS N N 81 123.854 123.854 122.047 1.807 18046
5227 1 9 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.706 -0.536 18046
5228 1 9 . 1 1 81 81 LYS C C 81 175.225 175.225 175.717 -0.492 18046
5229 1 9 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.870 0.230 18046
5230 1 9 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.041 -0.841 18046
5231 1 9 . 1 1 81 81 LYS H H 81 8.441 8.441 8.356 0.085 18046
5232 1 9 . 1 1 82 82 GLN N N 82 121.237 121.237 120.266 0.971 18046
5233 1 9 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.145 -0.185 18046
5234 1 9 . 1 1 82 82 GLN C C 82 177.016 177.016 176.114 0.902 18046
5235 1 9 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.596 -0.097 18046
5236 1 9 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.502 -0.402 18046
5237 1 9 . 1 1 82 82 GLN H H 82 6.493 6.493 8.678 -2.185 18046
5238 1 9 . 1 1 83 83 GLY N N 83 118.629 118.629 112.346 6.283 18046
5239 1 9 . 1 1 83 83 GLY C C 83 174.491 174.491 173.156 1.335 18046
5240 1 9 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.333 1.067 18046
5241 1 9 . 1 1 83 83 GLY H H 83 10.072 10.072 8.185 1.887 18046
5242 1 9 . 1 1 84 84 PHE N N 84 120.834 120.834 120.175 0.659 18046
5243 1 9 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.625 0.285 18046
5244 1 9 . 1 1 84 84 PHE C C 84 177.056 177.056 174.311 2.745 18046
5245 1 9 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.305 -0.805 18046
5246 1 9 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.819 -2.119 18046
5247 1 9 . 1 1 84 84 PHE H H 84 8.431 8.431 7.266 1.165 18046
5248 1 9 . 1 1 85 85 GLU N N 85 125.174 125.174 125.245 -0.071 18046
5249 1 9 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.843 -0.733 18046
5250 1 9 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.646 4.234 18046
5251 1 9 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.392 -3.222 18046
5252 1 9 . 1 1 85 85 GLU H H 85 10.207 10.207 8.540 1.667 18046
5253 1 9 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.469 0.281 18046
5254 1 9 . 1 1 87 87 PRO C C 87 178.401 178.401 177.904 0.497 18046
5255 1 9 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.758 -0.258 18046
5256 1 9 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.984 -0.584 18046
5257 1 9 . 1 1 88 88 THR N N 88 107.088 107.088 112.286 -5.198 18046
5258 1 9 . 1 1 88 88 THR HA H 88 4.080 4.080 4.025 0.055 18046
5259 1 9 . 1 1 88 88 THR C C 88 174.325 174.325 175.649 -1.324 18046
5260 1 9 . 1 1 88 88 THR CA C 88 63.200 63.200 64.999 -1.799 18046
5261 1 9 . 1 1 88 88 THR CB C 88 68.300 68.300 68.123 0.177 18046
5262 1 9 . 1 1 88 88 THR H H 88 7.316 7.316 8.120 -0.804 18046
5263 1 9 . 1 1 89 89 PHE N N 89 119.031 119.031 122.239 -3.208 18046
5264 1 9 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.916 0.004 18046
5265 1 9 . 1 1 89 89 PHE C C 89 175.661 175.661 177.227 -1.566 18046
5266 1 9 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.785 -0.785 18046
5267 1 9 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.662 2.398 18046
5268 1 9 . 1 1 89 89 PHE H H 89 7.437 7.437 7.792 -0.355 18046
5269 1 9 . 1 1 90 90 THR N N 90 107.216 107.216 116.669 -9.453 18046
5270 1 9 . 1 1 90 90 THR HA H 90 3.210 3.210 3.245 -0.035 18046
5271 1 9 . 1 1 90 90 THR C C 90 177.340 177.340 176.998 0.342 18046
5272 1 9 . 1 1 90 90 THR CA C 90 65.000 65.000 67.225 -2.225 18046
5273 1 9 . 1 1 90 90 THR CB C 90 68.200 68.200 67.741 0.459 18046
5274 1 9 . 1 1 90 90 THR H H 90 7.675 7.675 7.925 -0.250 18046
5275 1 9 . 1 1 91 91 GLY N N 91 106.674 106.674 109.004 -2.330 18046
5276 1 9 . 1 1 91 91 GLY C C 91 174.591 174.591 174.669 -0.078 18046
5277 1 9 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.594 0.706 18046
5278 1 9 . 1 1 91 91 GLY H H 91 7.865 7.865 7.457 0.408 18046
5279 1 9 . 1 1 92 92 TRP N N 92 117.951 117.951 118.788 -0.837 18046
5280 1 9 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.284 0.206 18046
5281 1 9 . 1 1 92 92 TRP C C 92 174.042 174.042 176.058 -2.016 18046
5282 1 9 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.951 0.519 18046
5283 1 9 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.324 0.306 18046
5284 1 9 . 1 1 92 92 TRP H H 92 7.018 7.018 7.145 -0.127 18046
5285 1 9 . 1 1 93 93 PHE N N 93 118.863 118.863 115.370 3.493 18046
5286 1 9 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.232 0.378 18046
5287 1 9 . 1 1 93 93 PHE C C 93 175.872 175.872 176.882 -1.010 18046
5288 1 9 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.900 0.000 18046
5289 1 9 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.121 0.679 18046
5290 1 9 . 1 1 93 93 PHE H H 93 7.956 7.956 7.591 0.365 18046
5291 1 9 . 1 1 94 94 MET N N 94 121.781 121.781 119.040 2.741 18046
5292 1 9 . 1 1 94 94 MET HA H 94 4.200 4.200 4.181 0.019 18046
5293 1 9 . 1 1 94 94 MET C C 94 175.794 175.794 175.907 -0.113 18046
5294 1 9 . 1 1 94 94 MET CA C 94 57.900 57.900 56.845 1.055 18046
5295 1 9 . 1 1 94 94 MET CB C 94 32.300 32.300 32.492 -0.192 18046
5296 1 9 . 1 1 94 94 MET H H 94 8.825 8.825 8.616 0.209 18046
5297 1 9 . 1 1 95 95 ALA N N 95 120.648 120.648 122.210 -1.562 18046
5298 1 9 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.435 0.005 18046
5299 1 9 . 1 1 95 95 ALA C C 95 175.600 175.600 176.493 -0.893 18046
5300 1 9 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.898 0.902 18046
5301 1 9 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.915 1.885 18046
5302 1 9 . 1 1 95 95 ALA H H 95 8.037 8.037 7.558 0.479 18046
5303 1 9 . 1 1 96 96 TRP N N 96 121.009 121.009 123.673 -2.664 18046
5304 1 9 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.376 -0.166 18046
5305 1 9 . 1 1 96 96 TRP C C 96 174.409 174.409 176.059 -1.650 18046
5306 1 9 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.869 -0.069 18046
5307 1 9 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.958 0.542 18046
5308 1 9 . 1 1 96 96 TRP H H 96 8.481 8.481 8.420 0.061 18046
5309 1 9 . 1 1 97 97 ASP N N 97 128.963 128.963 120.755 8.208 18046
5310 1 9 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.124 -0.034 18046
5311 1 9 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.677 -1.117 18046
5312 1 9 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.439 -0.909 18046
5313 1 9 . 1 1 97 97 ASP H H 97 8.850 8.850 8.977 -0.127 18046
5314 1 9 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.444 0.066 18046
5315 1 9 . 1 1 98 98 PRO C C 98 177.169 177.169 177.315 -0.146 18046
5316 1 9 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.147 0.053 18046
5317 1 9 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.989 0.581 18046
5318 1 9 . 1 1 99 99 LEU N N 99 118.381 118.381 119.032 -0.651 18046
5319 1 9 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.510 0.020 18046
5320 1 9 . 1 1 99 99 LEU C C 99 177.338 177.338 178.181 -0.843 18046
5321 1 9 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.084 -0.534 18046
5322 1 9 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.366 -0.616 18046
5323 1 9 . 1 1 99 99 LEU H H 99 8.372 8.372 7.644 0.728 18046
5324 1 9 . 1 1 100 100 CYS N N 100 119.396 119.396 119.411 -0.015 18046
5325 1 9 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.318 -0.708 18046
5326 1 9 . 1 1 100 100 CYS C C 100 174.820 174.820 176.011 -1.191 18046
5327 1 9 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.975 -0.475 18046
5328 1 9 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.977 0.323 18046
5329 1 9 . 1 1 100 100 CYS H H 100 7.052 7.052 7.960 -0.908 18046
5330 1 9 . 1 1 101 101 TRP N N 101 115.737 115.737 120.933 -5.196 18046
5331 1 9 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.596 0.184 18046
5332 1 9 . 1 1 101 101 TRP C C 101 176.485 176.485 175.932 0.553 18046
5333 1 9 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.323 1.577 18046
5334 1 9 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.143 -1.044 18046
5335 1 9 . 1 1 101 101 TRP H H 101 7.625 7.625 7.931 -0.306 18046
5336 1 9 . 1 1 102 102 SER N N 102 115.896 115.896 114.847 1.049 18046
5337 1 9 . 1 1 102 102 SER HA H 102 4.520 4.520 4.322 0.198 18046
5338 1 9 . 1 1 102 102 SER C C 102 174.333 174.333 175.167 -0.834 18046
5339 1 9 . 1 1 102 102 SER CA C 102 59.200 59.200 60.551 -1.351 18046
5340 1 9 . 1 1 102 102 SER CB C 102 64.100 64.100 63.080 1.020 18046
5341 1 9 . 1 1 102 102 SER H H 102 7.916 7.916 7.768 0.148 18046
5342 1 9 . 1 1 103 103 ASP N N 103 122.262 122.262 121.569 0.693 18046
5343 1 9 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.728 -0.068 18046
5344 1 9 . 1 1 103 103 ASP C C 103 176.129 176.129 178.125 -1.996 18046
5345 1 9 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.859 -1.159 18046
5346 1 9 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.187 -0.187 18046
5347 1 9 . 1 1 103 103 ASP H H 103 8.450 8.450 7.954 0.496 18046
5348 1 9 . 1 1 104 104 ARG N N 104 120.795 120.795 120.565 0.230 18046
5349 1 9 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.104 0.226 18046
5350 1 9 . 1 1 104 104 ARG C C 104 176.283 176.283 177.602 -1.319 18046
5351 1 9 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.235 -2.035 18046
5352 1 9 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.893 0.857 18046
5353 1 9 . 1 1 104 104 ARG H H 104 8.117 8.117 7.447 0.670 18046
5354 1 9 . 1 1 105 105 LYS N N 105 122.131 122.131 117.219 4.912 18046
5355 1 9 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.542 -0.197 18046
5356 1 9 . 1 1 105 105 LYS C C 105 176.284 176.284 175.838 0.446 18046
5357 1 9 . 1 1 105 105 LYS CA C 105 56.300 56.300 55.551 0.749 18046
5358 1 9 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.010 1.090 18046
5359 1 9 . 1 1 105 105 LYS H H 105 8.294 8.294 8.115 0.179 18046
5360 1 9 . 1 1 106 106 SER N N 106 116.993 116.993 115.967 1.026 18046
5361 1 9 . 1 1 106 106 SER HA H 106 4.470 4.470 4.643 -0.173 18046
5362 1 9 . 1 1 106 106 SER CA C 106 58.300 58.300 57.908 0.392 18046
5363 1 9 . 1 1 106 106 SER CB C 106 64.200 64.200 64.819 -0.619 18046
5364 1 9 . 1 1 106 106 SER H H 106 8.235 8.235 7.884 0.351 18046
5365 1 10 . 1 1 2 2 ARG N N 2 117.203 117.203 120.398 -3.195 18046
5366 1 10 . 1 1 2 2 ARG HA H 2 5.050 5.050 5.082 -0.032 18046
5367 1 10 . 1 1 2 2 ARG C C 2 172.726 172.726 174.879 -2.153 18046
5368 1 10 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.403 0.797 18046
5369 1 10 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.676 -2.776 18046
5370 1 10 . 1 1 2 2 ARG H H 2 8.108 8.108 8.369 -0.261 18046
5371 1 10 . 1 1 3 3 LEU N N 3 125.261 125.261 118.951 6.310 18046
5372 1 10 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.113 0.107 18046
5373 1 10 . 1 1 3 3 LEU C C 3 174.166 174.166 175.293 -1.127 18046
5374 1 10 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.006 -0.006 18046
5375 1 10 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.486 -0.086 18046
5376 1 10 . 1 1 3 3 LEU H H 3 8.542 8.542 8.221 0.321 18046
5377 1 10 . 1 1 4 4 PHE N N 4 123.490 123.490 116.408 7.082 18046
5378 1 10 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.769 0.331 18046
5379 1 10 . 1 1 4 4 PHE C C 4 174.820 174.820 174.546 0.274 18046
5380 1 10 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.283 -0.993 18046
5381 1 10 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.037 0.313 18046
5382 1 10 . 1 1 4 4 PHE H H 4 9.591 9.591 8.688 0.903 18046
5383 1 10 . 1 1 5 5 GLU N N 5 125.718 125.718 125.388 0.330 18046
5384 1 10 . 1 1 5 5 GLU HA H 5 4.020 4.020 5.014 -0.994 18046
5385 1 10 . 1 1 5 5 GLU C C 5 174.892 174.892 175.603 -0.711 18046
5386 1 10 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.426 -0.326 18046
5387 1 10 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.063 2.787 18046
5388 1 10 . 1 1 5 5 GLU H H 5 9.484 9.484 8.560 0.924 18046
5389 1 10 . 1 1 6 6 CYS N N 6 127.915 127.915 125.386 2.529 18046
5390 1 10 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.082 -0.062 18046
5391 1 10 . 1 1 6 6 CYS C C 6 172.378 172.378 173.963 -1.585 18046
5392 1 10 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.281 0.719 18046
5393 1 10 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.093 0.207 18046
5394 1 10 . 1 1 6 6 CYS H H 6 8.937 8.937 8.395 0.542 18046
5395 1 10 . 1 1 7 7 SER N N 7 113.574 113.574 118.630 -5.056 18046
5396 1 10 . 1 1 7 7 SER HA H 7 5.420 5.420 4.905 0.515 18046
5397 1 10 . 1 1 7 7 SER C C 7 175.632 175.632 173.010 2.622 18046
5398 1 10 . 1 1 7 7 SER CA C 7 55.400 55.400 56.572 -1.173 18046
5399 1 10 . 1 1 7 7 SER CB C 7 65.900 65.900 65.769 0.131 18046
5400 1 10 . 1 1 7 7 SER H H 7 7.873 7.873 8.223 -0.350 18046
5401 1 10 . 1 1 8 8 ASN N N 8 126.153 126.153 121.881 4.272 18046
5402 1 10 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.121 0.519 18046
5403 1 10 . 1 1 8 8 ASN C C 8 178.392 178.392 175.806 2.586 18046
5404 1 10 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.663 -1.163 18046
5405 1 10 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.232 -1.132 18046
5406 1 10 . 1 1 8 8 ASN H H 8 10.299 10.299 8.695 1.603 18046
5407 1 10 . 1 1 9 9 LYS N N 9 123.420 123.420 123.443 -0.023 18046
5408 1 10 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.175 0.055 18046
5409 1 10 . 1 1 9 9 LYS C C 9 177.891 177.891 177.224 0.667 18046
5410 1 10 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.136 0.664 18046
5411 1 10 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.824 -0.924 18046
5412 1 10 . 1 1 9 9 LYS H H 9 9.064 9.064 8.502 0.562 18046
5413 1 10 . 1 1 10 10 THR N N 10 110.292 110.292 108.547 1.745 18046
5414 1 10 . 1 1 10 10 THR HA H 10 4.480 4.480 4.480 -0.000 18046
5415 1 10 . 1 1 10 10 THR C C 10 175.392 175.392 175.861 -0.469 18046
5416 1 10 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046
5417 1 10 . 1 1 10 10 THR CB C 10 70.100 70.100 70.003 0.097 18046
5418 1 10 . 1 1 10 10 THR H H 10 8.525 8.525 7.893 0.632 18046
5419 1 10 . 1 1 11 11 GLY N N 11 110.668 110.668 110.187 0.481 18046
5420 1 10 . 1 1 11 11 GLY C C 11 172.867 172.867 173.662 -0.795 18046
5421 1 10 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.113 -0.413 18046
5422 1 10 . 1 1 11 11 GLY H H 11 8.266 8.266 8.115 0.151 18046
5423 1 10 . 1 1 12 12 ARG N N 12 118.170 118.170 120.309 -2.139 18046
5424 1 10 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.713 -0.053 18046
5425 1 10 . 1 1 12 12 ARG C C 12 173.924 173.924 174.594 -0.670 18046
5426 1 10 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.743 -0.843 18046
5427 1 10 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.919 -0.118 18046
5428 1 10 . 1 1 12 12 ARG H H 12 7.538 7.538 7.842 -0.304 18046
5429 1 10 . 1 1 13 13 PHE N N 13 121.956 121.956 123.151 -1.195 18046
5430 1 10 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.629 -0.095 18046
5431 1 10 . 1 1 13 13 PHE C C 13 174.005 174.005 174.311 -0.306 18046
5432 1 10 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.520 1.980 18046
5433 1 10 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.951 -0.951 18046
5434 1 10 . 1 1 13 13 PHE H H 13 8.926 8.926 8.637 0.289 18046
5435 1 10 . 1 1 14 14 LEU N N 14 129.824 129.824 127.212 2.612 18046
5436 1 10 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.247 0.063 18046
5437 1 10 . 1 1 14 14 LEU C C 14 173.801 173.801 174.173 -0.372 18046
5438 1 10 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.876 1.324 18046
5439 1 10 . 1 1 14 14 LEU CB C 14 46.600 46.600 44.989 1.611 18046
5440 1 10 . 1 1 14 14 LEU H H 14 8.114 8.114 7.356 0.758 18046
5441 1 10 . 1 1 15 15 ALA N N 15 125.201 125.201 125.469 -0.268 18046
5442 1 10 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.407 1.123 18046
5443 1 10 . 1 1 15 15 ALA C C 15 177.178 177.178 176.587 0.591 18046
5444 1 10 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.341 -1.541 18046
5445 1 10 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.221 0.579 18046
5446 1 10 . 1 1 15 15 ALA H H 15 8.234 8.234 8.198 0.036 18046
5447 1 10 . 1 1 16 16 THR N N 16 119.393 119.393 118.721 0.672 18046
5448 1 10 . 1 1 16 16 THR HA H 16 4.654 4.654 4.549 0.105 18046
5449 1 10 . 1 1 16 16 THR C C 16 173.434 173.434 172.513 0.921 18046
5450 1 10 . 1 1 16 16 THR CA C 16 61.261 61.261 60.770 0.491 18046
5451 1 10 . 1 1 16 16 THR CB C 16 71.500 71.500 71.363 0.137 18046
5452 1 10 . 1 1 16 16 THR H H 16 9.149 9.149 8.074 1.075 18046
5453 1 10 . 1 1 17 17 GLU N N 17 128.928 128.928 123.114 5.814 18046
5454 1 10 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.473 -0.083 18046
5455 1 10 . 1 1 17 17 GLU C C 17 175.799 175.799 174.860 0.939 18046
5456 1 10 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.672 2.128 18046
5457 1 10 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.939 -2.539 18046
5458 1 10 . 1 1 17 17 GLU H H 17 9.269 9.269 8.507 0.762 18046
5459 1 10 . 1 1 18 18 ILE N N 18 129.185 129.185 125.685 3.500 18046
5460 1 10 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.081 0.309 18046
5461 1 10 . 1 1 18 18 ILE C C 18 176.202 176.202 174.721 1.481 18046
5462 1 10 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.692 1.008 18046
5463 1 10 . 1 1 18 18 ILE CB C 18 38.100 38.100 40.070 -1.970 18046
5464 1 10 . 1 1 18 18 ILE H H 18 8.814 8.814 8.290 0.524 18046
5465 1 10 . 1 1 19 19 VAL N N 19 127.068 127.068 125.643 1.425 18046
5466 1 10 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.582 0.698 18046
5467 1 10 . 1 1 19 19 VAL C C 19 175.632 175.632 175.991 -0.359 18046
5468 1 10 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.389 -0.789 18046
5469 1 10 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.234 0.266 18046
5470 1 10 . 1 1 19 19 VAL H H 19 8.600 8.600 8.101 0.499 18046
5471 1 10 . 1 1 20 20 ASP N N 20 122.793 122.793 123.286 -0.493 18046
5472 1 10 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.113 0.177 18046
5473 1 10 . 1 1 20 20 ASP C C 20 175.742 175.742 175.094 0.648 18046
5474 1 10 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.454 -0.354 18046
5475 1 10 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.959 -0.959 18046
5476 1 10 . 1 1 20 20 ASP H H 20 9.037 9.037 8.364 0.673 18046
5477 1 10 . 1 1 21 21 PHE N N 21 113.443 113.443 123.468 -10.025 18046
5478 1 10 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.642 0.168 18046
5479 1 10 . 1 1 21 21 PHE C C 21 175.062 175.062 175.273 -0.211 18046
5480 1 10 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.199 1.001 18046
5481 1 10 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.251 -0.351 18046
5482 1 10 . 1 1 21 21 PHE H H 21 6.542 6.542 7.518 -0.976 18046
5483 1 10 . 1 1 22 22 THR N N 22 112.200 112.200 112.243 -0.043 18046
5484 1 10 . 1 1 22 22 THR HA H 22 4.900 4.900 4.880 0.020 18046
5485 1 10 . 1 1 22 22 THR C C 22 175.307 175.307 175.596 -0.289 18046
5486 1 10 . 1 1 22 22 THR CA C 22 60.400 60.400 60.716 -0.316 18046
5487 1 10 . 1 1 22 22 THR CB C 22 73.300 73.300 70.956 2.344 18046
5488 1 10 . 1 1 22 22 THR H H 22 9.640 9.640 8.106 1.534 18046
5489 1 10 . 1 1 23 23 GLN N N 23 122.406 122.406 118.338 4.068 18046
5490 1 10 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.172 -0.492 18046
5491 1 10 . 1 1 23 23 GLN C C 23 176.527 176.527 177.223 -0.696 18046
5492 1 10 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.299 0.701 18046
5493 1 10 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.337 -0.737 18046
5494 1 10 . 1 1 23 23 GLN H H 23 9.766 9.766 8.764 1.002 18046
5495 1 10 . 1 1 24 24 ASP N N 24 114.153 114.153 120.346 -6.193 18046
5496 1 10 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.455 -0.355 18046
5497 1 10 . 1 1 24 24 ASP C C 24 176.528 176.528 177.475 -0.947 18046
5498 1 10 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.653 -0.753 18046
5499 1 10 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.470 0.290 18046
5500 1 10 . 1 1 24 24 ASP H H 24 7.760 7.760 7.816 -0.056 18046
5501 1 10 . 1 1 25 25 ASP N N 25 116.379 116.379 116.880 -0.501 18046
5502 1 10 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.713 -0.172 18046
5503 1 10 . 1 1 25 25 ASP C C 25 175.059 175.059 176.104 -1.045 18046
5504 1 10 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.193 1.007 18046
5505 1 10 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.648 0.852 18046
5506 1 10 . 1 1 25 25 ASP H H 25 7.655 7.655 8.398 -0.743 18046
5507 1 10 . 1 1 26 26 LEU N N 26 118.095 118.095 122.718 -4.623 18046
5508 1 10 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.118 -0.838 18046
5509 1 10 . 1 1 26 26 LEU C C 26 174.177 174.177 176.564 -2.387 18046
5510 1 10 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.339 -1.439 18046
5511 1 10 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.568 -1.268 18046
5512 1 10 . 1 1 26 26 LEU H H 26 7.309 7.309 7.184 0.125 18046
5513 1 10 . 1 1 27 27 ASP N N 27 127.757 127.757 126.402 1.355 18046
5514 1 10 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.532 0.268 18046
5515 1 10 . 1 1 27 27 ASP C C 27 177.178 177.178 177.400 -0.222 18046
5516 1 10 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.236 -0.736 18046
5517 1 10 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.783 1.717 18046
5518 1 10 . 1 1 27 27 ASP H H 27 8.612 8.612 8.194 0.418 18046
5519 1 10 . 1 1 28 28 GLU N N 28 124.674 124.674 118.820 5.854 18046
5520 1 10 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.149 0.241 18046
5521 1 10 . 1 1 28 28 GLU C C 28 175.019 175.019 176.748 -1.729 18046
5522 1 10 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.030 -1.330 18046
5523 1 10 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.041 -0.441 18046
5524 1 10 . 1 1 28 28 GLU H H 28 8.632 8.632 8.812 -0.180 18046
5525 1 10 . 1 1 29 29 ASN N N 29 115.882 115.882 118.440 -2.558 18046
5526 1 10 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.008 -0.378 18046
5527 1 10 . 1 1 29 29 ASN C C 29 175.382 175.382 173.717 1.665 18046
5528 1 10 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.836 -0.036 18046
5529 1 10 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.689 0.311 18046
5530 1 10 . 1 1 29 29 ASN H H 29 9.360 9.360 8.135 1.225 18046
5531 1 10 . 1 1 30 30 ASP N N 30 127.013 127.013 122.211 4.802 18046
5532 1 10 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.818 0.732 18046
5533 1 10 . 1 1 30 30 ASP C C 30 172.009 172.009 174.127 -2.118 18046
5534 1 10 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.370 0.830 18046
5535 1 10 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.286 -0.486 18046
5536 1 10 . 1 1 30 30 ASP H H 30 8.710 8.710 8.523 0.187 18046
5537 1 10 . 1 1 31 31 VAL N N 31 112.784 112.784 120.479 -7.695 18046
5538 1 10 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.148 1.252 18046
5539 1 10 . 1 1 31 31 VAL C C 31 173.273 173.273 174.983 -1.710 18046
5540 1 10 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.053 -2.053 18046
5541 1 10 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.240 3.560 18046
5542 1 10 . 1 1 31 31 VAL H H 31 7.364 7.364 8.381 -1.017 18046
5543 1 10 . 1 1 32 32 TYR N N 32 120.917 120.917 125.996 -5.079 18046
5544 1 10 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.318 0.352 18046
5545 1 10 . 1 1 32 32 TYR C C 32 174.735 174.735 175.203 -0.468 18046
5546 1 10 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.268 1.532 18046
5547 1 10 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.234 1.866 18046
5548 1 10 . 1 1 32 32 TYR H H 32 9.698 9.698 7.797 1.901 18046
5549 1 10 . 1 1 33 33 LEU N N 33 119.790 119.790 120.191 -0.401 18046
5550 1 10 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.254 1.456 18046
5551 1 10 . 1 1 33 33 LEU C C 33 175.551 175.551 175.122 0.429 18046
5552 1 10 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.176 -1.696 18046
5553 1 10 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.502 0.783 18046
5554 1 10 . 1 1 33 33 LEU H H 33 9.111 9.111 8.664 0.447 18046
5555 1 10 . 1 1 34 34 LEU N N 34 125.829 125.829 127.293 -1.464 18046
5556 1 10 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.200 0.210 18046
5557 1 10 . 1 1 34 34 LEU C C 34 174.819 174.819 174.749 0.070 18046
5558 1 10 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.284 0.036 18046
5559 1 10 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.958 -0.378 18046
5560 1 10 . 1 1 34 34 LEU H H 34 9.847 9.847 7.973 1.874 18046
5561 1 10 . 1 1 35 35 ASP N N 35 126.739 126.739 128.183 -1.444 18046
5562 1 10 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.968 0.172 18046
5563 1 10 . 1 1 35 35 ASP C C 35 176.690 176.690 175.241 1.449 18046
5564 1 10 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.095 -0.495 18046
5565 1 10 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.901 1.299 18046
5566 1 10 . 1 1 35 35 ASP H H 35 9.740 9.740 8.562 1.178 18046
5567 1 10 . 1 1 36 36 THR N N 36 118.603 118.603 114.650 3.953 18046
5568 1 10 . 1 1 36 36 THR HA H 36 4.290 4.290 4.220 0.070 18046
5569 1 10 . 1 1 36 36 THR C C 36 175.471 175.471 174.360 1.111 18046
5570 1 10 . 1 1 36 36 THR CA C 36 60.800 60.800 59.579 1.221 18046
5571 1 10 . 1 1 36 36 THR CB C 36 68.500 68.500 70.357 -1.857 18046
5572 1 10 . 1 1 36 36 THR H H 36 8.596 8.596 7.711 0.885 18046
5573 1 10 . 1 1 37 37 TRP N N 37 122.021 122.021 122.219 -0.198 18046
5574 1 10 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.441 -0.391 18046
5575 1 10 . 1 1 37 37 TRP C C 37 177.341 177.341 177.665 -0.324 18046
5576 1 10 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.971 2.829 18046
5577 1 10 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.420 -0.420 18046
5578 1 10 . 1 1 37 37 TRP H H 37 9.090 9.090 8.306 0.784 18046
5579 1 10 . 1 1 38 38 ASP N N 38 117.786 117.786 117.354 0.432 18046
5580 1 10 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.430 -0.040 18046
5581 1 10 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.462 -0.462 18046
5582 1 10 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.634 -0.334 18046
5583 1 10 . 1 1 38 38 ASP H H 38 8.676 8.676 8.259 0.417 18046
5584 1 10 . 1 1 39 39 GLN N N 39 110.693 110.693 113.778 -3.085 18046
5585 1 10 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.536 -0.046 18046
5586 1 10 . 1 1 39 39 GLN C C 39 173.398 173.398 174.493 -1.095 18046
5587 1 10 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.373 -0.573 18046
5588 1 10 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.560 0.640 18046
5589 1 10 . 1 1 39 39 GLN H H 39 7.325 7.325 7.730 -0.405 18046
5590 1 10 . 1 1 40 40 ILE N N 40 120.287 120.287 122.843 -2.556 18046
5591 1 10 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.485 0.495 18046
5592 1 10 . 1 1 40 40 ILE C C 40 175.143 175.143 175.581 -0.438 18046
5593 1 10 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.927 -1.827 18046
5594 1 10 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.611 1.089 18046
5595 1 10 . 1 1 40 40 ILE H H 40 8.663 8.663 8.731 -0.068 18046
5596 1 10 . 1 1 41 41 PHE N N 41 124.653 124.653 127.341 -2.688 18046
5597 1 10 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.952 0.538 18046
5598 1 10 . 1 1 41 41 PHE C C 41 174.167 174.167 175.046 -0.879 18046
5599 1 10 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.194 0.206 18046
5600 1 10 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.041 2.159 18046
5601 1 10 . 1 1 41 41 PHE H H 41 9.555 9.555 9.255 0.300 18046
5602 1 10 . 1 1 42 42 PHE N N 42 128.681 128.681 125.247 3.434 18046
5603 1 10 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.922 0.658 18046
5604 1 10 . 1 1 42 42 PHE C C 42 172.940 172.940 174.865 -1.925 18046
5605 1 10 . 1 1 42 42 PHE CA C 42 54.700 54.700 57.267 -2.567 18046
5606 1 10 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.968 1.032 18046
5607 1 10 . 1 1 42 42 PHE H H 42 9.647 9.647 8.485 1.162 18046
5608 1 10 . 1 1 43 43 TRP N N 43 128.634 128.634 126.751 1.883 18046
5609 1 10 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.841 0.439 18046
5610 1 10 . 1 1 43 43 TRP C C 43 175.877 175.877 174.773 1.104 18046
5611 1 10 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.399 1.601 18046
5612 1 10 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.726 2.474 18046
5613 1 10 . 1 1 43 43 TRP H H 43 9.997 9.997 8.907 1.090 18046
5614 1 10 . 1 1 44 44 ILE N N 44 126.166 126.166 126.207 -0.041 18046
5615 1 10 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.553 -0.403 18046
5616 1 10 . 1 1 44 44 ILE C C 44 175.190 175.190 175.727 -0.537 18046
5617 1 10 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.844 1.656 18046
5618 1 10 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.383 0.917 18046
5619 1 10 . 1 1 44 44 ILE H H 44 8.359 8.359 7.843 0.516 18046
5620 1 10 . 1 1 45 45 GLY N N 45 119.260 119.260 113.729 5.531 18046
5621 1 10 . 1 1 45 45 GLY C C 45 176.163 176.163 174.486 1.677 18046
5622 1 10 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.565 2.035 18046
5623 1 10 . 1 1 45 45 GLY H H 45 7.603 7.603 8.238 -0.635 18046
5624 1 10 . 1 1 46 46 LYS N N 46 124.868 124.868 119.351 5.517 18046
5625 1 10 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.418 -0.348 18046
5626 1 10 . 1 1 46 46 LYS C C 46 177.700 177.700 177.405 0.295 18046
5627 1 10 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.460 1.740 18046
5628 1 10 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.248 -0.848 18046
5629 1 10 . 1 1 46 46 LYS H H 46 9.104 9.104 8.471 0.633 18046
5630 1 10 . 1 1 47 47 GLY N N 47 106.230 106.230 107.022 -0.792 18046
5631 1 10 . 1 1 47 47 GLY C C 47 175.326 175.326 174.119 1.207 18046
5632 1 10 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.035 -0.835 18046
5633 1 10 . 1 1 47 47 GLY H H 47 8.954 8.954 8.063 0.891 18046
5634 1 10 . 1 1 48 48 ALA N N 48 125.925 125.925 123.146 2.779 18046
5635 1 10 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.217 0.403 18046
5636 1 10 . 1 1 48 48 ALA C C 48 177.829 177.829 177.459 0.370 18046
5637 1 10 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.504 0.196 18046
5638 1 10 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.950 0.950 18046
5639 1 10 . 1 1 48 48 ALA H H 48 7.484 7.484 7.908 -0.424 18046
5640 1 10 . 1 1 49 49 ASN N N 49 119.683 119.683 122.693 -3.010 18046
5641 1 10 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.611 0.489 18046
5642 1 10 . 1 1 49 49 ASN C C 49 175.874 175.874 176.955 -1.081 18046
5643 1 10 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.510 -1.910 18046
5644 1 10 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.343 1.657 18046
5645 1 10 . 1 1 49 49 ASN H H 49 8.921 8.921 8.266 0.655 18046
5646 1 10 . 1 1 50 50 GLU N N 50 118.057 118.057 120.846 -2.789 18046
5647 1 10 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.103 -0.103 18046
5648 1 10 . 1 1 50 50 GLU C C 50 178.722 178.722 178.420 0.302 18046
5649 1 10 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.394 0.206 18046
5650 1 10 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.681 -0.081 18046
5651 1 10 . 1 1 50 50 GLU H H 50 8.828 8.828 9.008 -0.180 18046
5652 1 10 . 1 1 51 51 SER N N 51 115.397 115.397 114.905 0.492 18046
5653 1 10 . 1 1 51 51 SER HA H 51 4.350 4.350 4.181 0.169 18046
5654 1 10 . 1 1 51 51 SER C C 51 177.932 177.932 176.055 1.877 18046
5655 1 10 . 1 1 51 51 SER CA C 51 61.800 61.800 61.864 -0.063 18046
5656 1 10 . 1 1 51 51 SER CB C 51 62.700 62.700 62.959 -0.259 18046
5657 1 10 . 1 1 51 51 SER H H 51 8.401 8.401 8.292 0.109 18046
5658 1 10 . 1 1 52 52 GLU N N 52 122.271 122.271 121.792 0.479 18046
5659 1 10 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.108 -0.008 18046
5660 1 10 . 1 1 52 52 GLU C C 52 177.665 177.665 178.448 -0.783 18046
5661 1 10 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.749 -0.549 18046
5662 1 10 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.004 -0.604 18046
5663 1 10 . 1 1 52 52 GLU H H 52 8.566 8.566 8.376 0.190 18046
5664 1 10 . 1 1 53 53 LYS N N 53 119.319 119.319 118.505 0.814 18046
5665 1 10 . 1 1 53 53 LYS HA H 53 4.040 4.040 4.075 -0.035 18046
5666 1 10 . 1 1 53 53 LYS C C 53 178.727 178.727 178.670 0.057 18046
5667 1 10 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.381 1.519 18046
5668 1 10 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.270 0.330 18046
5669 1 10 . 1 1 53 53 LYS H H 53 7.704 7.704 7.586 0.118 18046
5670 1 10 . 1 1 54 54 GLU N N 54 119.268 119.268 118.994 0.274 18046
5671 1 10 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.104 -0.044 18046
5672 1 10 . 1 1 54 54 GLU C C 54 179.211 179.211 178.348 0.863 18046
5673 1 10 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.097 0.403 18046
5674 1 10 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.646 0.254 18046
5675 1 10 . 1 1 54 54 GLU H H 54 8.173 8.173 7.324 0.849 18046
5676 1 10 . 1 1 55 55 ALA N N 55 121.311 121.311 122.012 -0.701 18046
5677 1 10 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.829 0.121 18046
5678 1 10 . 1 1 55 55 ALA C C 55 180.920 180.920 179.405 1.515 18046
5679 1 10 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.716 -0.216 18046
5680 1 10 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.147 -1.347 18046
5681 1 10 . 1 1 55 55 ALA H H 55 7.954 7.954 8.377 -0.423 18046
5682 1 10 . 1 1 56 56 ALA N N 56 123.395 123.395 119.373 4.022 18046
5683 1 10 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.237 -0.217 18046
5684 1 10 . 1 1 56 56 ALA C C 56 178.383 178.383 179.123 -0.740 18046
5685 1 10 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.741 0.659 18046
5686 1 10 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.457 1.143 18046
5687 1 10 . 1 1 56 56 ALA H H 56 8.393 8.393 8.195 0.198 18046
5688 1 10 . 1 1 57 57 ALA N N 57 120.754 120.754 121.205 -0.451 18046
5689 1 10 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.588 -0.668 18046
5690 1 10 . 1 1 57 57 ALA C C 57 180.433 180.433 179.920 0.513 18046
5691 1 10 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.990 0.710 18046
5692 1 10 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.292 -0.592 18046
5693 1 10 . 1 1 57 57 ALA H H 57 7.690 7.690 7.502 0.188 18046
5694 1 10 . 1 1 58 58 GLU N N 58 118.337 118.337 118.471 -0.134 18046
5695 1 10 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.039 0.061 18046
5696 1 10 . 1 1 58 58 GLU C C 58 179.210 179.210 179.247 -0.037 18046
5697 1 10 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.512 -0.312 18046
5698 1 10 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.629 -0.329 18046
5699 1 10 . 1 1 58 58 GLU H H 58 7.423 7.423 7.945 -0.522 18046
5700 1 10 . 1 1 59 59 THR N N 59 118.744 118.744 115.138 3.606 18046
5701 1 10 . 1 1 59 59 THR HA H 59 3.860 3.860 4.066 -0.206 18046
5702 1 10 . 1 1 59 59 THR C C 59 175.722 175.722 176.151 -0.429 18046
5703 1 10 . 1 1 59 59 THR CA C 59 67.420 67.420 66.146 1.274 18046
5704 1 10 . 1 1 59 59 THR CB C 59 68.590 68.590 68.604 -0.014 18046
5705 1 10 . 1 1 59 59 THR H H 59 8.354 8.354 8.312 0.042 18046
5706 1 10 . 1 1 60 60 ALA N N 60 122.991 122.991 123.518 -0.527 18046
5707 1 10 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.820 -0.090 18046
5708 1 10 . 1 1 60 60 ALA C C 60 178.155 178.155 179.353 -1.198 18046
5709 1 10 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.718 0.982 18046
5710 1 10 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.098 -0.298 18046
5711 1 10 . 1 1 60 60 ALA H H 60 8.294 8.294 7.357 0.937 18046
5712 1 10 . 1 1 61 61 GLN N N 61 113.649 113.649 116.926 -3.277 18046
5713 1 10 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.924 0.066 18046
5714 1 10 . 1 1 61 61 GLN C C 61 178.640 178.640 178.358 0.282 18046
5715 1 10 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.557 -0.637 18046
5716 1 10 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.469 -0.009 18046
5717 1 10 . 1 1 61 61 GLN H H 61 7.215 7.215 7.755 -0.540 18046
5718 1 10 . 1 1 62 62 GLU N N 62 120.684 120.684 118.197 2.487 18046
5719 1 10 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.057 -0.017 18046
5720 1 10 . 1 1 62 62 GLU C C 62 179.047 179.047 178.389 0.658 18046
5721 1 10 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.282 -0.082 18046
5722 1 10 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.252 0.048 18046
5723 1 10 . 1 1 62 62 GLU H H 62 8.126 8.126 7.932 0.194 18046
5724 1 10 . 1 1 63 63 TYR N N 63 122.118 122.118 119.750 2.368 18046
5725 1 10 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.290 -0.060 18046
5726 1 10 . 1 1 63 63 TYR C C 63 178.643 178.643 177.334 1.309 18046
5727 1 10 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.786 -0.686 18046
5728 1 10 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.031 -1.230 18046
5729 1 10 . 1 1 63 63 TYR H H 63 8.796 8.796 7.707 1.089 18046
5730 1 10 . 1 1 64 64 LEU N N 64 119.163 119.163 119.612 -0.449 18046
5731 1 10 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.011 -0.331 18046
5732 1 10 . 1 1 64 64 LEU C C 64 178.475 178.475 179.414 -0.939 18046
5733 1 10 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.085 -0.085 18046
5734 1 10 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.343 2.157 18046
5735 1 10 . 1 1 64 64 LEU H H 64 7.799 7.799 7.847 -0.048 18046
5736 1 10 . 1 1 65 65 ARG N N 65 116.868 116.868 117.925 -1.057 18046
5737 1 10 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.924 0.146 18046
5738 1 10 . 1 1 65 65 ARG C C 65 177.464 177.464 177.898 -0.434 18046
5739 1 10 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.522 0.078 18046
5740 1 10 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.826 0.973 18046
5741 1 10 . 1 1 65 65 ARG H H 65 7.842 7.842 7.640 0.202 18046
5742 1 10 . 1 1 66 66 SER N N 66 112.527 112.527 113.218 -0.691 18046
5743 1 10 . 1 1 66 66 SER HA H 66 4.360 4.360 4.167 0.193 18046
5744 1 10 . 1 1 66 66 SER C C 66 174.087 174.087 174.915 -0.828 18046
5745 1 10 . 1 1 66 66 SER CA C 66 59.440 59.440 60.398 -0.958 18046
5746 1 10 . 1 1 66 66 SER CB C 66 64.120 64.120 63.766 0.354 18046
5747 1 10 . 1 1 66 66 SER H H 66 7.907 7.907 7.758 0.149 18046
5748 1 10 . 1 1 67 67 HIS N N 67 123.090 123.090 121.964 1.126 18046
5749 1 10 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.917 -0.257 18046
5750 1 10 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.866 1.534 18046
5751 1 10 . 1 1 67 67 HIS CB C 67 29.600 29.600 31.488 -1.887 18046
5752 1 10 . 1 1 67 67 HIS H H 67 7.515 7.515 8.190 -0.675 18046
5753 1 10 . 1 1 68 68 PRO C C 68 176.365 176.365 176.738 -0.373 18046
5754 1 10 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.813 5.547 18046
5755 1 10 . 1 1 69 69 GLY N N 69 124.202 124.202 106.179 18.023 18046
5756 1 10 . 1 1 69 69 GLY C C 69 174.331 174.331 174.436 -0.105 18046
5757 1 10 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.526 1.173 18046
5758 1 10 . 1 1 69 69 GLY H H 69 8.166 8.166 8.029 0.137 18046
5759 1 10 . 1 1 70 70 SER N N 70 115.467 115.467 114.409 1.058 18046
5760 1 10 . 1 1 70 70 SER HA H 70 4.450 4.450 4.654 -0.204 18046
5761 1 10 . 1 1 70 70 SER C C 70 174.329 174.329 175.209 -0.880 18046
5762 1 10 . 1 1 70 70 SER CA C 70 58.640 58.640 58.837 -0.197 18046
5763 1 10 . 1 1 70 70 SER CB C 70 63.040 63.040 63.810 -0.770 18046
5764 1 10 . 1 1 70 70 SER H H 70 8.280 8.280 8.535 -0.255 18046
5765 1 10 . 1 1 71 71 ARG N N 71 120.585 120.585 120.112 0.473 18046
5766 1 10 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.437 -0.207 18046
5767 1 10 . 1 1 71 71 ARG C C 71 175.793 175.793 175.514 0.279 18046
5768 1 10 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.514 -1.414 18046
5769 1 10 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.216 1.184 18046
5770 1 10 . 1 1 71 71 ARG H H 71 8.341 8.341 8.044 0.297 18046
5771 1 10 . 1 1 72 72 ASP N N 72 120.258 120.258 118.458 1.800 18046
5772 1 10 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.732 -0.292 18046
5773 1 10 . 1 1 72 72 ASP C C 72 178.038 178.038 176.225 1.813 18046
5774 1 10 . 1 1 72 72 ASP CA C 72 54.530 54.530 55.411 -0.881 18046
5775 1 10 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.676 -0.906 18046
5776 1 10 . 1 1 72 72 ASP H H 72 8.471 8.471 8.301 0.170 18046
5777 1 10 . 1 1 73 73 LEU N N 73 127.518 127.518 119.690 7.828 18046
5778 1 10 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.209 -0.119 18046
5779 1 10 . 1 1 73 73 LEU C C 73 177.417 177.417 178.378 -0.961 18046
5780 1 10 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.287 -0.287 18046
5781 1 10 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.454 -1.454 18046
5782 1 10 . 1 1 73 73 LEU H H 73 8.826 8.826 7.442 1.384 18046
5783 1 10 . 1 1 74 74 ASP N N 74 117.787 117.787 119.577 -1.790 18046
5784 1 10 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.458 0.282 18046
5785 1 10 . 1 1 74 74 ASP C C 74 175.765 175.765 176.379 -0.614 18046
5786 1 10 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.164 -2.264 18046
5787 1 10 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.899 -0.429 18046
5788 1 10 . 1 1 74 74 ASP H H 74 8.480 8.480 8.423 0.057 18046
5789 1 10 . 1 1 75 75 THR N N 75 119.682 119.682 115.312 4.370 18046
5790 1 10 . 1 1 75 75 THR HA H 75 4.210 4.210 4.665 -0.455 18046
5791 1 10 . 1 1 75 75 THR CA C 75 62.440 62.440 58.980 3.460 18046
5792 1 10 . 1 1 75 75 THR CB C 75 70.940 70.940 69.885 1.055 18046
5793 1 10 . 1 1 75 75 THR H H 75 7.303 7.303 7.619 -0.316 18046
5794 1 10 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.370 -0.130 18046
5795 1 10 . 1 1 76 76 PRO C C 76 174.823 174.823 176.276 -1.453 18046
5796 1 10 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.289 1.311 18046
5797 1 10 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.468 0.632 18046
5798 1 10 . 1 1 77 77 ILE N N 77 121.906 121.906 118.989 2.917 18046
5799 1 10 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.908 1.082 18046
5800 1 10 . 1 1 77 77 ILE C C 77 176.571 176.571 176.799 -0.228 18046
5801 1 10 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.499 -1.999 18046
5802 1 10 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.552 -0.452 18046
5803 1 10 . 1 1 77 77 ILE H H 77 8.052 8.052 8.025 0.027 18046
5804 1 10 . 1 1 78 78 ILE N N 78 130.054 130.054 128.293 1.761 18046
5805 1 10 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.038 0.262 18046
5806 1 10 . 1 1 78 78 ILE C C 78 175.471 175.471 175.637 -0.166 18046
5807 1 10 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.516 -0.716 18046
5808 1 10 . 1 1 78 78 ILE CB C 78 39.300 39.300 35.893 3.407 18046
5809 1 10 . 1 1 78 78 ILE H H 78 8.977 8.977 8.142 0.835 18046
5810 1 10 . 1 1 79 79 VAL N N 79 130.072 130.072 127.642 2.430 18046
5811 1 10 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.916 0.774 18046
5812 1 10 . 1 1 79 79 VAL C C 79 176.024 176.024 175.999 0.025 18046
5813 1 10 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.564 0.336 18046
5814 1 10 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.927 -0.227 18046
5815 1 10 . 1 1 79 79 VAL H H 79 8.872 8.872 7.910 0.962 18046
5816 1 10 . 1 1 80 80 VAL N N 80 129.055 129.055 126.572 2.483 18046
5817 1 10 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.301 0.119 18046
5818 1 10 . 1 1 80 80 VAL C C 80 173.028 173.028 174.579 -1.551 18046
5819 1 10 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.718 -0.718 18046
5820 1 10 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.096 1.304 18046
5821 1 10 . 1 1 80 80 VAL H H 80 9.608 9.608 8.282 1.326 18046
5822 1 10 . 1 1 81 81 LYS N N 81 123.854 123.854 123.374 0.480 18046
5823 1 10 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.596 -0.426 18046
5824 1 10 . 1 1 81 81 LYS C C 81 175.225 175.225 175.979 -0.754 18046
5825 1 10 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.949 0.151 18046
5826 1 10 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.651 -0.451 18046
5827 1 10 . 1 1 81 81 LYS H H 81 8.441 8.441 8.333 0.108 18046
5828 1 10 . 1 1 82 82 GLN N N 82 121.237 121.237 120.978 0.259 18046
5829 1 10 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.114 -0.154 18046
5830 1 10 . 1 1 82 82 GLN C C 82 177.016 177.016 176.205 0.811 18046
5831 1 10 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.615 -0.115 18046
5832 1 10 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.147 -0.047 18046
5833 1 10 . 1 1 82 82 GLN H H 82 6.493 6.493 8.807 -2.314 18046
5834 1 10 . 1 1 83 83 GLY N N 83 118.629 118.629 112.742 5.887 18046
5835 1 10 . 1 1 83 83 GLY C C 83 174.491 174.491 173.360 1.131 18046
5836 1 10 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.261 1.139 18046
5837 1 10 . 1 1 83 83 GLY H H 83 10.072 10.072 8.138 1.934 18046
5838 1 10 . 1 1 84 84 PHE N N 84 120.834 120.834 119.873 0.961 18046
5839 1 10 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.619 0.291 18046
5840 1 10 . 1 1 84 84 PHE C C 84 177.056 177.056 174.249 2.807 18046
5841 1 10 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.291 -0.791 18046
5842 1 10 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.985 -2.285 18046
5843 1 10 . 1 1 84 84 PHE H H 84 8.431 8.431 7.260 1.171 18046
5844 1 10 . 1 1 85 85 GLU N N 85 125.174 125.174 125.991 -0.817 18046
5845 1 10 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.755 -0.645 18046
5846 1 10 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.589 4.291 18046
5847 1 10 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.574 -3.404 18046
5848 1 10 . 1 1 85 85 GLU H H 85 10.207 10.207 8.550 1.657 18046
5849 1 10 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.474 0.276 18046
5850 1 10 . 1 1 87 87 PRO C C 87 178.401 178.401 178.037 0.364 18046
5851 1 10 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.933 -0.433 18046
5852 1 10 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.945 -0.545 18046
5853 1 10 . 1 1 88 88 THR N N 88 107.088 107.088 112.355 -5.267 18046
5854 1 10 . 1 1 88 88 THR HA H 88 4.080 4.080 4.032 0.048 18046
5855 1 10 . 1 1 88 88 THR C C 88 174.325 174.325 175.695 -1.370 18046
5856 1 10 . 1 1 88 88 THR CA C 88 63.200 63.200 65.028 -1.828 18046
5857 1 10 . 1 1 88 88 THR CB C 88 68.300 68.300 68.130 0.170 18046
5858 1 10 . 1 1 88 88 THR H H 88 7.316 7.316 8.153 -0.837 18046
5859 1 10 . 1 1 89 89 PHE N N 89 119.031 119.031 122.105 -3.074 18046
5860 1 10 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.917 0.003 18046
5861 1 10 . 1 1 89 89 PHE C C 89 175.661 175.661 177.258 -1.597 18046
5862 1 10 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.795 -0.795 18046
5863 1 10 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.756 2.304 18046
5864 1 10 . 1 1 89 89 PHE H H 89 7.437 7.437 7.839 -0.402 18046
5865 1 10 . 1 1 90 90 THR N N 90 107.216 107.216 116.403 -9.187 18046
5866 1 10 . 1 1 90 90 THR HA H 90 3.210 3.210 3.215 -0.005 18046
5867 1 10 . 1 1 90 90 THR C C 90 177.340 177.340 176.632 0.708 18046
5868 1 10 . 1 1 90 90 THR CA C 90 65.000 65.000 67.287 -2.287 18046
5869 1 10 . 1 1 90 90 THR CB C 90 68.200 68.200 67.781 0.418 18046
5870 1 10 . 1 1 90 90 THR H H 90 7.675 7.675 7.909 -0.234 18046
5871 1 10 . 1 1 91 91 GLY N N 91 106.674 106.674 109.039 -2.365 18046
5872 1 10 . 1 1 91 91 GLY C C 91 174.591 174.591 174.679 -0.088 18046
5873 1 10 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.708 0.592 18046
5874 1 10 . 1 1 91 91 GLY H H 91 7.865 7.865 7.386 0.478 18046
5875 1 10 . 1 1 92 92 TRP N N 92 117.951 117.951 118.853 -0.902 18046
5876 1 10 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.280 0.210 18046
5877 1 10 . 1 1 92 92 TRP C C 92 174.042 174.042 176.441 -2.399 18046
5878 1 10 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.985 0.485 18046
5879 1 10 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.343 0.287 18046
5880 1 10 . 1 1 92 92 TRP H H 92 7.018 7.018 7.169 -0.151 18046
5881 1 10 . 1 1 93 93 PHE N N 93 118.863 118.863 115.849 3.014 18046
5882 1 10 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.213 0.397 18046
5883 1 10 . 1 1 93 93 PHE C C 93 175.872 175.872 177.005 -1.133 18046
5884 1 10 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.042 -0.142 18046
5885 1 10 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.898 0.902 18046
5886 1 10 . 1 1 93 93 PHE H H 93 7.956 7.956 7.603 0.353 18046
5887 1 10 . 1 1 94 94 MET N N 94 121.781 121.781 119.082 2.699 18046
5888 1 10 . 1 1 94 94 MET HA H 94 4.200 4.200 4.175 0.025 18046
5889 1 10 . 1 1 94 94 MET C C 94 175.794 175.794 175.968 -0.174 18046
5890 1 10 . 1 1 94 94 MET CA C 94 57.900 57.900 56.740 1.160 18046
5891 1 10 . 1 1 94 94 MET CB C 94 32.300 32.300 32.497 -0.197 18046
5892 1 10 . 1 1 94 94 MET H H 94 8.825 8.825 8.574 0.251 18046
5893 1 10 . 1 1 95 95 ALA N N 95 120.648 120.648 122.405 -1.757 18046
5894 1 10 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.401 0.039 18046
5895 1 10 . 1 1 95 95 ALA C C 95 175.600 175.600 176.546 -0.946 18046
5896 1 10 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.970 0.830 18046
5897 1 10 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.852 1.948 18046
5898 1 10 . 1 1 95 95 ALA H H 95 8.037 8.037 7.558 0.479 18046
5899 1 10 . 1 1 96 96 TRP N N 96 121.009 121.009 123.599 -2.590 18046
5900 1 10 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.362 -0.152 18046
5901 1 10 . 1 1 96 96 TRP C C 96 174.409 174.409 175.868 -1.459 18046
5902 1 10 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.450 0.350 18046
5903 1 10 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.956 0.544 18046
5904 1 10 . 1 1 96 96 TRP H H 96 8.481 8.481 8.365 0.116 18046
5905 1 10 . 1 1 97 97 ASP N N 97 128.963 128.963 121.745 7.218 18046
5906 1 10 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.058 0.032 18046
5907 1 10 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.242 -1.682 18046
5908 1 10 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.301 -0.771 18046
5909 1 10 . 1 1 97 97 ASP H H 97 8.850 8.850 8.964 -0.114 18046
5910 1 10 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.352 0.158 18046
5911 1 10 . 1 1 98 98 PRO C C 98 177.169 177.169 177.407 -0.238 18046
5912 1 10 . 1 1 98 98 PRO CA C 98 64.200 64.200 63.997 0.203 18046
5913 1 10 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.071 0.499 18046
5914 1 10 . 1 1 99 99 LEU N N 99 118.381 118.381 119.825 -1.444 18046
5915 1 10 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.473 0.057 18046
5916 1 10 . 1 1 99 99 LEU C C 99 177.338 177.338 178.021 -0.683 18046
5917 1 10 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.680 -0.130 18046
5918 1 10 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.639 0.111 18046
5919 1 10 . 1 1 99 99 LEU H H 99 8.372 8.372 7.915 0.457 18046
5920 1 10 . 1 1 100 100 CYS N N 100 119.396 119.396 119.171 0.225 18046
5921 1 10 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.312 -0.702 18046
5922 1 10 . 1 1 100 100 CYS C C 100 174.820 174.820 176.063 -1.243 18046
5923 1 10 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.436 -0.936 18046
5924 1 10 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.642 0.658 18046
5925 1 10 . 1 1 100 100 CYS H H 100 7.052 7.052 7.783 -0.731 18046
5926 1 10 . 1 1 101 101 TRP N N 101 115.737 115.737 121.241 -5.504 18046
5927 1 10 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.642 0.138 18046
5928 1 10 . 1 1 101 101 TRP C C 101 176.485 176.485 176.085 0.400 18046
5929 1 10 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.001 1.899 18046
5930 1 10 . 1 1 101 101 TRP CB C 101 28.100 28.100 27.961 0.139 18046
5931 1 10 . 1 1 101 101 TRP H H 101 7.625 7.625 7.786 -0.161 18046
5932 1 10 . 1 1 102 102 SER N N 102 115.896 115.896 115.604 0.292 18046
5933 1 10 . 1 1 102 102 SER HA H 102 4.520 4.520 4.280 0.240 18046
5934 1 10 . 1 1 102 102 SER C C 102 174.333 174.333 175.758 -1.425 18046
5935 1 10 . 1 1 102 102 SER CA C 102 59.200 59.200 60.793 -1.593 18046
5936 1 10 . 1 1 102 102 SER CB C 102 64.100 64.100 63.064 1.036 18046
5937 1 10 . 1 1 102 102 SER H H 102 7.916 7.916 7.748 0.168 18046
5938 1 10 . 1 1 103 103 ASP N N 103 122.262 122.262 120.161 2.101 18046
5939 1 10 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.800 -0.140 18046
5940 1 10 . 1 1 103 103 ASP C C 103 176.129 176.129 178.164 -2.035 18046
5941 1 10 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.382 -0.682 18046
5942 1 10 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.201 -0.201 18046
5943 1 10 . 1 1 103 103 ASP H H 103 8.450 8.450 7.973 0.477 18046
5944 1 10 . 1 1 104 104 ARG N N 104 120.795 120.795 119.994 0.801 18046
5945 1 10 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.875 0.455 18046
5946 1 10 . 1 1 104 104 ARG C C 104 176.283 176.283 177.753 -1.470 18046
5947 1 10 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.068 -1.868 18046
5948 1 10 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.498 1.252 18046
5949 1 10 . 1 1 104 104 ARG H H 104 8.117 8.117 7.562 0.555 18046
5950 1 10 . 1 1 105 105 LYS N N 105 122.131 122.131 117.033 5.098 18046
5951 1 10 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.322 0.023 18046
5952 1 10 . 1 1 105 105 LYS C C 105 176.284 176.284 176.575 -0.291 18046
5953 1 10 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.554 -0.254 18046
5954 1 10 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.895 0.205 18046
5955 1 10 . 1 1 105 105 LYS H H 105 8.294 8.294 7.979 0.315 18046
5956 1 10 . 1 1 106 106 SER N N 106 116.993 116.993 114.000 2.993 18046
5957 1 10 . 1 1 106 106 SER HA H 106 4.470 4.470 4.595 -0.125 18046
5958 1 10 . 1 1 106 106 SER CA C 106 58.300 58.300 57.553 0.747 18046
5959 1 10 . 1 1 106 106 SER CB C 106 64.200 64.200 64.790 -0.590 18046
5960 1 10 . 1 1 106 106 SER H H 106 8.235 8.235 7.526 0.709 18046
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 100 3.928 -0.679 3.888 18046
2 1 1 "Average Difference" HA 109 0.409 -0.099 0.399 18046
3 1 1 "Average Difference" C 98 1.100 0.121 1.099 18046
4 1 1 "Average Difference" CA 103 1.200 -0.052 1.204 18046
5 1 1 "Average Difference" CB 98 1.362 -0.161 1.359 18046
6 1 1 "Average Difference" HN 100 0.752 -0.325 0.682 18046
7 1 2 "Average Difference" N 100 3.944 -0.612 3.916 18046
8 1 2 "Average Difference" HA 109 0.400 -0.097 0.390 18046
9 1 2 "Average Difference" C 98 1.119 0.167 1.112 18046
10 1 2 "Average Difference" CA 103 1.222 0.010 1.228 18046
11 1 2 "Average Difference" CB 98 1.344 -0.228 1.331 18046
12 1 2 "Average Difference" HN 100 0.741 -0.333 0.666 18046
13 1 3 "Average Difference" N 100 3.766 -0.478 3.755 18046
14 1 3 "Average Difference" HA 109 0.410 -0.106 0.398 18046
15 1 3 "Average Difference" C 98 1.131 0.226 1.114 18046
16 1 3 "Average Difference" CA 103 1.199 0.019 1.205 18046
17 1 3 "Average Difference" CB 98 1.300 -0.270 1.278 18046
18 1 3 "Average Difference" HN 100 0.746 -0.325 0.674 18046
19 1 4 "Average Difference" N 100 3.829 -0.556 3.807 18046
20 1 4 "Average Difference" HA 109 0.401 -0.109 0.388 18046
21 1 4 "Average Difference" C 98 1.145 0.236 1.126 18046
22 1 4 "Average Difference" CA 103 1.174 0.008 1.180 18046
23 1 4 "Average Difference" CB 98 1.343 -0.218 1.332 18046
24 1 4 "Average Difference" HN 100 0.730 -0.323 0.658 18046
25 1 5 "Average Difference" N 100 3.953 -0.595 3.927 18046
26 1 5 "Average Difference" HA 109 0.407 -0.096 0.398 18046
27 1 5 "Average Difference" C 98 1.137 0.170 1.130 18046
28 1 5 "Average Difference" CA 103 1.201 -0.024 1.206 18046
29 1 5 "Average Difference" CB 98 1.392 -0.184 1.386 18046
30 1 5 "Average Difference" HN 100 0.746 -0.334 0.670 18046
31 1 6 "Average Difference" N 100 3.772 -0.489 3.759 18046
32 1 6 "Average Difference" HA 109 0.404 -0.094 0.395 18046
33 1 6 "Average Difference" C 98 1.133 0.201 1.121 18046
34 1 6 "Average Difference" CA 103 1.221 0.020 1.226 18046
35 1 6 "Average Difference" CB 98 1.320 -0.171 1.315 18046
36 1 6 "Average Difference" HN 100 0.755 -0.349 0.672 18046
37 1 7 "Average Difference" N 100 3.900 -0.520 3.884 18046
38 1 7 "Average Difference" HA 109 0.412 -0.090 0.404 18046
39 1 7 "Average Difference" C 98 1.152 0.193 1.141 18046
40 1 7 "Average Difference" CA 103 1.279 0.010 1.286 18046
41 1 7 "Average Difference" CB 98 1.343 -0.215 1.333 18046
42 1 7 "Average Difference" HN 100 0.763 -0.323 0.695 18046
43 1 8 "Average Difference" N 100 3.911 -0.536 3.894 18046
44 1 8 "Average Difference" HA 109 0.395 -0.086 0.388 18046
45 1 8 "Average Difference" C 98 1.121 0.158 1.115 18046
46 1 8 "Average Difference" CA 103 1.220 -0.046 1.225 18046
47 1 8 "Average Difference" CB 98 1.346 -0.223 1.335 18046
48 1 8 "Average Difference" HN 100 0.758 -0.320 0.691 18046
49 1 9 "Average Difference" N 100 3.887 -0.546 3.867 18046
50 1 9 "Average Difference" HA 109 0.413 -0.092 0.405 18046
51 1 9 "Average Difference" C 98 1.135 0.144 1.132 18046
52 1 9 "Average Difference" CA 103 1.247 -0.007 1.253 18046
53 1 9 "Average Difference" CB 98 1.351 -0.149 1.350 18046
54 1 9 "Average Difference" HN 100 0.750 -0.333 0.676 18046
55 1 10 "Average Difference" N 100 3.869 -0.577 3.845 18046
56 1 10 "Average Difference" HA 109 0.422 -0.084 0.415 18046
57 1 10 "Average Difference" C 98 1.142 0.203 1.130 18046
58 1 10 "Average Difference" CA 103 1.254 -0.016 1.260 18046
59 1 10 "Average Difference" CB 98 1.371 -0.214 1.361 18046
60 1 10 "Average Difference" HN 100 0.767 -0.328 0.697 18046
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 18046
_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 ARG N N 2 117.203 117.203 118.825 -1.622 18046
2 1 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.740 0.310 18046
3 1 . 1 1 2 2 ARG C C 2 172.726 172.726 174.655 -1.929 18046
4 1 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.540 0.660 18046
5 1 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.410 -2.510 18046
6 1 . 1 1 2 2 ARG H H 2 8.108 8.108 7.904 0.204 18046
7 1 . 1 1 3 3 LEU N N 3 125.261 125.261 119.573 5.688 18046
8 1 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.968 0.252 18046
9 1 . 1 1 3 3 LEU C C 3 174.166 174.166 175.489 -1.323 18046
10 1 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.219 -0.219 18046
11 1 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.159 0.241 18046
12 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.164 0.378 18046
13 1 . 1 1 4 4 PHE N N 4 123.490 123.490 116.594 6.896 18046
14 1 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.789 0.310 18046
15 1 . 1 1 4 4 PHE C C 4 174.820 174.820 174.594 0.226 18046
16 1 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.359 -1.069 18046
17 1 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.924 0.426 18046
18 1 . 1 1 4 4 PHE H H 4 9.591 9.591 8.688 0.903 18046
19 1 . 1 1 5 5 GLU N N 5 125.718 125.718 124.968 0.750 18046
20 1 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.877 -0.857 18046
21 1 . 1 1 5 5 GLU C C 5 174.892 174.892 175.782 -0.890 18046
22 1 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.396 -0.296 18046
23 1 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.458 2.392 18046
24 1 . 1 1 5 5 GLU H H 5 9.484 9.484 8.509 0.975 18046
25 1 . 1 1 6 6 CYS N N 6 127.915 127.915 126.032 1.883 18046
26 1 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.113 -0.093 18046
27 1 . 1 1 6 6 CYS C C 6 172.378 172.378 173.846 -1.468 18046
28 1 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.255 0.746 18046
29 1 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.900 0.400 18046
30 1 . 1 1 6 6 CYS H H 6 8.937 8.937 8.291 0.646 18046
31 1 . 1 1 7 7 SER N N 7 113.574 113.574 118.265 -4.691 18046
32 1 . 1 1 7 7 SER HA H 7 5.420 5.420 4.887 0.533 18046
33 1 . 1 1 7 7 SER C C 7 175.632 175.632 172.926 2.706 18046
34 1 . 1 1 7 7 SER CA C 7 55.400 55.400 56.562 -1.162 18046
35 1 . 1 1 7 7 SER CB C 7 65.900 65.900 65.964 -0.064 18046
36 1 . 1 1 7 7 SER H H 7 7.873 7.873 8.190 -0.317 18046
37 1 . 1 1 8 8 ASN N N 8 126.153 126.153 121.717 4.436 18046
38 1 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.115 0.525 18046
39 1 . 1 1 8 8 ASN C C 8 178.392 178.392 175.701 2.691 18046
40 1 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.669 -1.169 18046
41 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.107 -1.008 18046
42 1 . 1 1 8 8 ASN H H 8 10.299 10.299 8.840 1.459 18046
43 1 . 1 1 9 9 LYS N N 9 123.420 123.420 123.546 -0.127 18046
44 1 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.166 0.064 18046
45 1 . 1 1 9 9 LYS C C 9 177.891 177.891 177.285 0.606 18046
46 1 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.135 0.665 18046
47 1 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.870 -0.970 18046
48 1 . 1 1 9 9 LYS H H 9 9.064 9.064 8.489 0.575 18046
49 1 . 1 1 10 10 THR N N 10 110.292 110.292 108.367 1.925 18046
50 1 . 1 1 10 10 THR HA H 10 4.480 4.480 4.478 0.002 18046
51 1 . 1 1 10 10 THR C C 10 175.392 175.392 175.814 -0.421 18046
52 1 . 1 1 10 10 THR CA C 10 63.100 63.100 62.380 0.720 18046
53 1 . 1 1 10 10 THR CB C 10 70.100 70.100 70.030 0.070 18046
54 1 . 1 1 10 10 THR H H 10 8.525 8.525 7.906 0.619 18046
55 1 . 1 1 11 11 GLY N N 11 110.668 110.668 110.186 0.482 18046
56 1 . 1 1 11 11 GLY C C 11 172.867 172.867 173.653 -0.786 18046
57 1 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046
58 1 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046
59 1 . 1 1 12 12 ARG N N 12 118.170 118.170 120.287 -2.118 18046
60 1 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.707 -0.047 18046
61 1 . 1 1 12 12 ARG C C 12 173.924 173.924 174.589 -0.665 18046
62 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.737 -0.837 18046
63 1 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.928 -0.128 18046
64 1 . 1 1 12 12 ARG H H 12 7.538 7.538 7.833 -0.295 18046
65 1 . 1 1 13 13 PHE N N 13 121.956 121.956 123.160 -1.204 18046
66 1 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.585 -0.051 18046
67 1 . 1 1 13 13 PHE C C 13 174.005 174.005 174.235 -0.230 18046
68 1 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.609 1.891 18046
69 1 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.995 -0.995 18046
70 1 . 1 1 13 13 PHE H H 13 8.926 8.926 8.632 0.293 18046
71 1 . 1 1 14 14 LEU N N 14 129.824 129.824 127.154 2.670 18046
72 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.237 0.073 18046
73 1 . 1 1 14 14 LEU C C 14 173.801 173.801 174.145 -0.344 18046
74 1 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.891 1.309 18046
75 1 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.047 1.553 18046
76 1 . 1 1 14 14 LEU H H 14 8.114 8.114 7.329 0.785 18046
77 1 . 1 1 15 15 ALA N N 15 125.201 125.201 125.492 -0.291 18046
78 1 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.388 1.142 18046
79 1 . 1 1 15 15 ALA C C 15 177.178 177.178 176.450 0.728 18046
80 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.315 -1.515 18046
81 1 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.325 0.475 18046
82 1 . 1 1 15 15 ALA H H 15 8.234 8.234 8.188 0.046 18046
83 1 . 1 1 16 16 THR N N 16 119.393 119.393 119.071 0.322 18046
84 1 . 1 1 16 16 THR HA H 16 4.654 4.654 4.527 0.128 18046
85 1 . 1 1 16 16 THR C C 16 173.434 173.434 172.586 0.848 18046
86 1 . 1 1 16 16 THR CA C 16 61.261 61.261 61.075 0.186 18046
87 1 . 1 1 16 16 THR CB C 16 71.500 71.500 71.579 -0.079 18046
88 1 . 1 1 16 16 THR H H 16 9.149 9.149 8.030 1.119 18046
89 1 . 1 1 17 17 GLU N N 17 128.928 128.928 123.845 5.083 18046
90 1 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.456 -0.066 18046
91 1 . 1 1 17 17 GLU C C 17 175.799 175.799 174.954 0.845 18046
92 1 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.001 1.799 18046
93 1 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.524 -2.124 18046
94 1 . 1 1 17 17 GLU H H 17 9.269 9.269 8.551 0.718 18046
95 1 . 1 1 18 18 ILE N N 18 129.185 129.185 126.051 3.134 18046
96 1 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.072 0.318 18046
97 1 . 1 1 18 18 ILE C C 18 176.202 176.202 174.680 1.522 18046
98 1 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.515 1.185 18046
99 1 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.729 -1.629 18046
100 1 . 1 1 18 18 ILE H H 18 8.814 8.814 8.261 0.553 18046
101 1 . 1 1 19 19 VAL N N 19 127.068 127.068 125.736 1.332 18046
102 1 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.672 0.608 18046
103 1 . 1 1 19 19 VAL C C 19 175.632 175.632 176.090 -0.458 18046
104 1 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.696 -1.096 18046
105 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.169 0.331 18046
106 1 . 1 1 19 19 VAL H H 19 8.600 8.600 8.053 0.547 18046
107 1 . 1 1 20 20 ASP N N 20 122.793 122.793 123.536 -0.743 18046
108 1 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.144 0.146 18046
109 1 . 1 1 20 20 ASP C C 20 175.742 175.742 175.206 0.536 18046
110 1 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.432 -0.332 18046
111 1 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.941 -0.941 18046
112 1 . 1 1 20 20 ASP H H 20 9.037 9.037 8.330 0.707 18046
113 1 . 1 1 21 21 PHE N N 21 113.443 113.443 123.474 -10.031 18046
114 1 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.694 0.116 18046
115 1 . 1 1 21 21 PHE C C 21 175.062 175.062 175.445 -0.383 18046
116 1 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.313 0.887 18046
117 1 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.254 -0.354 18046
118 1 . 1 1 21 21 PHE H H 21 6.542 6.542 7.582 -1.040 18046
119 1 . 1 1 22 22 THR N N 22 112.200 112.200 112.048 0.152 18046
120 1 . 1 1 22 22 THR HA H 22 4.900 4.900 4.807 0.093 18046
121 1 . 1 1 22 22 THR C C 22 175.307 175.307 175.683 -0.376 18046
122 1 . 1 1 22 22 THR CA C 22 60.400 60.400 60.507 -0.107 18046
123 1 . 1 1 22 22 THR CB C 22 73.300 73.300 71.099 2.201 18046
124 1 . 1 1 22 22 THR H H 22 9.640 9.640 8.181 1.459 18046
125 1 . 1 1 23 23 GLN N N 23 122.406 122.406 118.734 3.672 18046
126 1 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.143 -0.463 18046
127 1 . 1 1 23 23 GLN C C 23 176.527 176.527 177.154 -0.627 18046
128 1 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.272 0.728 18046
129 1 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.200 -0.600 18046
130 1 . 1 1 23 23 GLN H H 23 9.766 9.766 8.710 1.056 18046
131 1 . 1 1 24 24 ASP N N 24 114.153 114.153 120.204 -6.051 18046
132 1 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.460 -0.360 18046
133 1 . 1 1 24 24 ASP C C 24 176.528 176.528 177.373 -0.844 18046
134 1 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.777 -0.877 18046
135 1 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.517 0.243 18046
136 1 . 1 1 24 24 ASP H H 24 7.760 7.760 7.812 -0.052 18046
137 1 . 1 1 25 25 ASP N N 25 116.379 116.379 117.026 -0.647 18046
138 1 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.721 -0.181 18046
139 1 . 1 1 25 25 ASP C C 25 175.059 175.059 176.123 -1.064 18046
140 1 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.050 1.150 18046
141 1 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.751 0.749 18046
142 1 . 1 1 25 25 ASP H H 25 7.655 7.655 8.159 -0.504 18046
143 1 . 1 1 26 26 LEU N N 26 118.095 118.095 122.659 -4.564 18046
144 1 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.150 -0.870 18046
145 1 . 1 1 26 26 LEU C C 26 174.177 174.177 176.447 -2.270 18046
146 1 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.395 -1.495 18046
147 1 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.936 -1.636 18046
148 1 . 1 1 26 26 LEU H H 26 7.309 7.309 7.199 0.110 18046
149 1 . 1 1 27 27 ASP N N 27 127.757 127.757 126.661 1.096 18046
150 1 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.584 0.216 18046
151 1 . 1 1 27 27 ASP C C 27 177.178 177.178 177.158 0.020 18046
152 1 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.135 -0.635 18046
153 1 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.785 1.715 18046
154 1 . 1 1 27 27 ASP H H 27 8.612 8.612 8.266 0.346 18046
155 1 . 1 1 28 28 GLU N N 28 124.674 124.674 119.627 5.047 18046
156 1 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.188 0.202 18046
157 1 . 1 1 28 28 GLU C C 28 175.019 175.019 176.511 -1.492 18046
158 1 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.938 -1.238 18046
159 1 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.269 -0.669 18046
160 1 . 1 1 28 28 GLU H H 28 8.632 8.632 8.771 -0.139 18046
161 1 . 1 1 29 29 ASN N N 29 115.882 115.882 118.441 -2.559 18046
162 1 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.979 -0.349 18046
163 1 . 1 1 29 29 ASN C C 29 175.382 175.382 173.543 1.839 18046
164 1 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.809 -0.009 18046
165 1 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.603 0.397 18046
166 1 . 1 1 29 29 ASN H H 29 9.360 9.360 8.288 1.072 18046
167 1 . 1 1 30 30 ASP N N 30 127.013 127.013 121.830 5.183 18046
168 1 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.784 0.766 18046
169 1 . 1 1 30 30 ASP C C 30 172.009 172.009 174.477 -2.468 18046
170 1 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.194 1.006 18046
171 1 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.943 -0.143 18046
172 1 . 1 1 30 30 ASP H H 30 8.710 8.710 8.306 0.404 18046
173 1 . 1 1 31 31 VAL N N 31 112.784 112.784 120.537 -7.753 18046
174 1 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.240 1.160 18046
175 1 . 1 1 31 31 VAL C C 31 173.273 173.273 175.059 -1.786 18046
176 1 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.010 -2.010 18046
177 1 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.364 3.436 18046
178 1 . 1 1 31 31 VAL H H 31 7.364 7.364 8.391 -1.027 18046
179 1 . 1 1 32 32 TYR N N 32 120.917 120.917 126.305 -5.388 18046
180 1 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.395 0.275 18046
181 1 . 1 1 32 32 TYR C C 32 174.735 174.735 175.338 -0.603 18046
182 1 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.420 1.380 18046
183 1 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.517 1.583 18046
184 1 . 1 1 32 32 TYR H H 32 9.698 9.698 8.003 1.695 18046
185 1 . 1 1 33 33 LEU N N 33 119.790 119.790 120.338 -0.548 18046
186 1 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.611 1.099 18046
187 1 . 1 1 33 33 LEU C C 33 175.551 175.551 175.251 0.300 18046
188 1 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.508 -2.028 18046
189 1 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.251 0.034 18046
190 1 . 1 1 33 33 LEU H H 33 9.111 9.111 8.750 0.361 18046
191 1 . 1 1 34 34 LEU N N 34 125.829 125.829 127.067 -1.238 18046
192 1 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.089 0.321 18046
193 1 . 1 1 34 34 LEU C C 34 174.819 174.819 174.763 0.055 18046
194 1 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.381 -0.061 18046
195 1 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.107 -0.527 18046
196 1 . 1 1 34 34 LEU H H 34 9.847 9.847 8.184 1.663 18046
197 1 . 1 1 35 35 ASP N N 35 126.739 126.739 128.342 -1.603 18046
198 1 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.990 0.150 18046
199 1 . 1 1 35 35 ASP C C 35 176.690 176.690 175.537 1.153 18046
200 1 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.978 -0.378 18046
201 1 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.112 1.088 18046
202 1 . 1 1 35 35 ASP H H 35 9.740 9.740 8.639 1.101 18046
203 1 . 1 1 36 36 THR N N 36 118.603 118.603 114.159 4.444 18046
204 1 . 1 1 36 36 THR HA H 36 4.290 4.290 4.279 0.011 18046
205 1 . 1 1 36 36 THR C C 36 175.471 175.471 174.473 0.998 18046
206 1 . 1 1 36 36 THR CA C 36 60.800 60.800 59.548 1.252 18046
207 1 . 1 1 36 36 THR CB C 36 68.500 68.500 70.586 -2.086 18046
208 1 . 1 1 36 36 THR H H 36 8.596 8.596 7.733 0.863 18046
209 1 . 1 1 37 37 TRP N N 37 122.021 122.021 122.289 -0.268 18046
210 1 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.455 -0.405 18046
211 1 . 1 1 37 37 TRP C C 37 177.341 177.341 176.952 0.389 18046
212 1 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.198 2.602 18046
213 1 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.534 -0.534 18046
214 1 . 1 1 37 37 TRP H H 37 9.090 9.090 8.302 0.788 18046
215 1 . 1 1 38 38 ASP N N 38 117.786 117.786 117.639 0.147 18046
216 1 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.582 -0.192 18046
217 1 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.191 -0.191 18046
218 1 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.845 -0.545 18046
219 1 . 1 1 38 38 ASP H H 38 8.676 8.676 8.021 0.655 18046
220 1 . 1 1 39 39 GLN N N 39 110.693 110.693 114.451 -3.758 18046
221 1 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.476 0.014 18046
222 1 . 1 1 39 39 GLN C C 39 173.398 173.398 174.356 -0.958 18046
223 1 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.327 -0.527 18046
224 1 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.584 0.616 18046
225 1 . 1 1 39 39 GLN H H 39 7.325 7.325 7.888 -0.563 18046
226 1 . 1 1 40 40 ILE N N 40 120.287 120.287 122.629 -2.342 18046
227 1 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.568 0.412 18046
228 1 . 1 1 40 40 ILE C C 40 175.143 175.143 175.796 -0.653 18046
229 1 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.570 -1.470 18046
230 1 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.395 1.305 18046
231 1 . 1 1 40 40 ILE H H 40 8.663 8.663 8.606 0.057 18046
232 1 . 1 1 41 41 PHE N N 41 124.653 124.653 127.330 -2.678 18046
233 1 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.857 0.633 18046
234 1 . 1 1 41 41 PHE C C 41 174.167 174.167 175.154 -0.987 18046
235 1 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.267 0.133 18046
236 1 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.081 2.119 18046
237 1 . 1 1 41 41 PHE H H 41 9.555 9.555 9.274 0.281 18046
238 1 . 1 1 42 42 PHE N N 42 128.681 128.681 125.334 3.348 18046
239 1 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.917 0.663 18046
240 1 . 1 1 42 42 PHE C C 42 172.940 172.940 174.905 -1.965 18046
241 1 . 1 1 42 42 PHE CA C 42 54.700 54.700 56.218 -1.518 18046
242 1 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.149 1.851 18046
243 1 . 1 1 42 42 PHE H H 42 9.647 9.647 8.430 1.217 18046
244 1 . 1 1 43 43 TRP N N 43 128.634 128.634 126.240 2.394 18046
245 1 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.815 0.465 18046
246 1 . 1 1 43 43 TRP C C 43 175.877 175.877 174.669 1.208 18046
247 1 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.651 1.349 18046
248 1 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.933 2.267 18046
249 1 . 1 1 43 43 TRP H H 43 9.997 9.997 8.840 1.157 18046
250 1 . 1 1 44 44 ILE N N 44 126.166 126.166 126.125 0.041 18046
251 1 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.553 -0.403 18046
252 1 . 1 1 44 44 ILE C C 44 175.190 175.190 175.557 -0.367 18046
253 1 . 1 1 44 44 ILE CA C 44 60.500 60.500 59.664 0.836 18046
254 1 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.368 -0.068 18046
255 1 . 1 1 44 44 ILE H H 44 8.359 8.359 7.851 0.508 18046
256 1 . 1 1 45 45 GLY N N 45 119.260 119.260 113.872 5.388 18046
257 1 . 1 1 45 45 GLY C C 45 176.163 176.163 174.450 1.713 18046
258 1 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.653 1.947 18046
259 1 . 1 1 45 45 GLY H H 45 7.603 7.603 8.219 -0.616 18046
260 1 . 1 1 46 46 LYS N N 46 124.868 124.868 119.386 5.482 18046
261 1 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046
262 1 . 1 1 46 46 LYS C C 46 177.700 177.700 177.435 0.265 18046
263 1 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.528 1.672 18046
264 1 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.268 -0.868 18046
265 1 . 1 1 46 46 LYS H H 46 9.104 9.104 8.287 0.817 18046
266 1 . 1 1 47 47 GLY N N 47 106.230 106.230 107.339 -1.109 18046
267 1 . 1 1 47 47 GLY C C 47 175.326 175.326 174.067 1.259 18046
268 1 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.209 -1.009 18046
269 1 . 1 1 47 47 GLY H H 47 8.954 8.954 8.073 0.880 18046
270 1 . 1 1 48 48 ALA N N 48 125.925 125.925 123.066 2.859 18046
271 1 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.194 0.426 18046
272 1 . 1 1 48 48 ALA C C 48 177.829 177.829 177.547 0.282 18046
273 1 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.381 0.319 18046
274 1 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.795 1.105 18046
275 1 . 1 1 48 48 ALA H H 48 7.484 7.484 7.859 -0.375 18046
276 1 . 1 1 49 49 ASN N N 49 119.683 119.683 123.163 -3.480 18046
277 1 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.575 0.525 18046
278 1 . 1 1 49 49 ASN C C 49 175.874 175.874 176.982 -1.108 18046
279 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.712 -2.112 18046
280 1 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.410 1.590 18046
281 1 . 1 1 49 49 ASN H H 49 8.921 8.921 8.399 0.522 18046
282 1 . 1 1 50 50 GLU N N 50 118.057 118.057 120.974 -2.917 18046
283 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.104 -0.103 18046
284 1 . 1 1 50 50 GLU C C 50 178.722 178.722 178.361 0.361 18046
285 1 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.616 -0.016 18046
286 1 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.611 -0.011 18046
287 1 . 1 1 50 50 GLU H H 50 8.828 8.828 8.979 -0.151 18046
288 1 . 1 1 51 51 SER N N 51 115.397 115.397 114.903 0.494 18046
289 1 . 1 1 51 51 SER HA H 51 4.350 4.350 4.197 0.153 18046
290 1 . 1 1 51 51 SER C C 51 177.932 177.932 176.300 1.632 18046
291 1 . 1 1 51 51 SER CA C 51 61.800 61.800 61.409 0.391 18046
292 1 . 1 1 51 51 SER CB C 51 62.700 62.700 62.957 -0.257 18046
293 1 . 1 1 51 51 SER H H 51 8.401 8.401 8.363 0.038 18046
294 1 . 1 1 52 52 GLU N N 52 122.271 122.271 121.984 0.287 18046
295 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.104 -0.004 18046
296 1 . 1 1 52 52 GLU C C 52 177.665 177.665 178.470 -0.805 18046
297 1 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.777 -0.577 18046
298 1 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.967 -0.567 18046
299 1 . 1 1 52 52 GLU H H 52 8.566 8.566 8.347 0.219 18046
300 1 . 1 1 53 53 LYS N N 53 119.319 119.319 118.397 0.922 18046
301 1 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.977 0.063 18046
302 1 . 1 1 53 53 LYS C C 53 178.727 178.727 178.487 0.240 18046
303 1 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.230 1.670 18046
304 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.196 0.404 18046
305 1 . 1 1 53 53 LYS H H 53 7.704 7.704 7.556 0.148 18046
306 1 . 1 1 54 54 GLU N N 54 119.268 119.268 118.906 0.362 18046
307 1 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.106 -0.046 18046
308 1 . 1 1 54 54 GLU C C 54 179.211 179.211 178.315 0.896 18046
309 1 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.036 0.463 18046
310 1 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.685 0.215 18046
311 1 . 1 1 54 54 GLU H H 54 8.173 8.173 7.306 0.867 18046
312 1 . 1 1 55 55 ALA N N 55 121.311 121.311 121.950 -0.639 18046
313 1 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.817 0.133 18046
314 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.361 1.559 18046
315 1 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.696 -0.196 18046
316 1 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.143 -1.343 18046
317 1 . 1 1 55 55 ALA H H 55 7.954 7.954 8.358 -0.404 18046
318 1 . 1 1 56 56 ALA N N 56 123.395 123.395 119.408 3.987 18046
319 1 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.168 -0.148 18046
320 1 . 1 1 56 56 ALA C C 56 178.383 178.383 178.976 -0.593 18046
321 1 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.615 0.785 18046
322 1 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.347 1.253 18046
323 1 . 1 1 56 56 ALA H H 56 8.393 8.393 8.115 0.278 18046
324 1 . 1 1 57 57 ALA N N 57 120.754 120.754 120.977 -0.223 18046
325 1 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.997 -0.077 18046
326 1 . 1 1 57 57 ALA C C 57 180.433 180.433 179.730 0.703 18046
327 1 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.733 0.967 18046
328 1 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.378 -0.678 18046
329 1 . 1 1 57 57 ALA H H 57 7.690 7.690 7.365 0.325 18046
330 1 . 1 1 58 58 GLU N N 58 118.337 118.337 118.523 -0.186 18046
331 1 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.088 0.013 18046
332 1 . 1 1 58 58 GLU C C 58 179.210 179.210 179.105 0.105 18046
333 1 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.342 -0.142 18046
334 1 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.755 -0.455 18046
335 1 . 1 1 58 58 GLU H H 58 7.423 7.423 7.866 -0.443 18046
336 1 . 1 1 59 59 THR N N 59 118.744 118.744 115.560 3.184 18046
337 1 . 1 1 59 59 THR HA H 59 3.860 3.860 4.016 -0.156 18046
338 1 . 1 1 59 59 THR C C 59 175.722 175.722 176.011 -0.289 18046
339 1 . 1 1 59 59 THR CA C 59 67.420 67.420 66.179 1.241 18046
340 1 . 1 1 59 59 THR CB C 59 68.590 68.590 68.573 0.017 18046
341 1 . 1 1 59 59 THR H H 59 8.354 8.354 8.396 -0.042 18046
342 1 . 1 1 60 60 ALA N N 60 122.991 122.991 122.841 0.150 18046
343 1 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.788 -0.058 18046
344 1 . 1 1 60 60 ALA C C 60 178.155 178.155 179.291 -1.136 18046
345 1 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.886 0.814 18046
346 1 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.119 -0.320 18046
347 1 . 1 1 60 60 ALA H H 60 8.294 8.294 7.447 0.847 18046
348 1 . 1 1 61 61 GLN N N 61 113.649 113.649 117.092 -3.443 18046
349 1 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.937 0.053 18046
350 1 . 1 1 61 61 GLN C C 61 178.640 178.640 178.277 0.363 18046
351 1 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.562 -0.642 18046
352 1 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.169 0.291 18046
353 1 . 1 1 61 61 GLN H H 61 7.215 7.215 8.004 -0.789 18046
354 1 . 1 1 62 62 GLU N N 62 120.684 120.684 118.378 2.306 18046
355 1 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.036 0.004 18046
356 1 . 1 1 62 62 GLU C C 62 179.047 179.047 178.655 0.392 18046
357 1 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.230 -0.029 18046
358 1 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.246 0.054 18046
359 1 . 1 1 62 62 GLU H H 62 8.126 8.126 7.825 0.301 18046
360 1 . 1 1 63 63 TYR N N 63 122.118 122.118 120.071 2.047 18046
361 1 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.238 -0.008 18046
362 1 . 1 1 63 63 TYR C C 63 178.643 178.643 177.656 0.987 18046
363 1 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.840 -0.740 18046
364 1 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.814 -1.014 18046
365 1 . 1 1 63 63 TYR H H 63 8.796 8.796 7.729 1.067 18046
366 1 . 1 1 64 64 LEU N N 64 119.163 119.163 119.574 -0.411 18046
367 1 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.951 -0.271 18046
368 1 . 1 1 64 64 LEU C C 64 178.475 178.475 179.370 -0.895 18046
369 1 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.056 -0.057 18046
370 1 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.538 1.962 18046
371 1 . 1 1 64 64 LEU H H 64 7.799 7.799 7.790 0.009 18046
372 1 . 1 1 65 65 ARG N N 65 116.868 116.868 116.847 0.021 18046
373 1 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.015 0.055 18046
374 1 . 1 1 65 65 ARG C C 65 177.464 177.464 177.541 -0.077 18046
375 1 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.249 0.351 18046
376 1 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.847 0.953 18046
377 1 . 1 1 65 65 ARG H H 65 7.842 7.842 7.652 0.190 18046
378 1 . 1 1 66 66 SER N N 66 112.527 112.527 113.034 -0.507 18046
379 1 . 1 1 66 66 SER HA H 66 4.360 4.360 4.185 0.175 18046
380 1 . 1 1 66 66 SER C C 66 174.087 174.087 174.962 -0.875 18046
381 1 . 1 1 66 66 SER CA C 66 59.440 59.440 59.811 -0.371 18046
382 1 . 1 1 66 66 SER CB C 66 64.120 64.120 63.609 0.511 18046
383 1 . 1 1 66 66 SER H H 66 7.907 7.907 7.723 0.184 18046
384 1 . 1 1 67 67 HIS N N 67 123.090 123.090 121.987 1.103 18046
385 1 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.770 -0.110 18046
386 1 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.583 1.817 18046
387 1 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.502 -0.902 18046
388 1 . 1 1 67 67 HIS H H 67 7.515 7.515 7.607 -0.092 18046
389 1 . 1 1 68 68 PRO C C 68 176.365 176.365 176.872 -0.507 18046
390 1 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.576 5.784 18046
391 1 . 1 1 69 69 GLY N N 69 124.202 124.202 106.130 18.072 18046
392 1 . 1 1 69 69 GLY C C 69 174.331 174.331 173.878 0.453 18046
393 1 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.569 1.131 18046
394 1 . 1 1 69 69 GLY H H 69 8.166 8.166 8.162 0.004 18046
395 1 . 1 1 70 70 SER N N 70 115.467 115.467 116.031 -0.564 18046
396 1 . 1 1 70 70 SER HA H 70 4.450 4.450 4.572 -0.122 18046
397 1 . 1 1 70 70 SER C C 70 174.329 174.329 175.531 -1.202 18046
398 1 . 1 1 70 70 SER CA C 70 58.640 58.640 59.028 -0.388 18046
399 1 . 1 1 70 70 SER CB C 70 63.040 63.040 64.084 -1.044 18046
400 1 . 1 1 70 70 SER H H 70 8.280 8.280 8.674 -0.394 18046
401 1 . 1 1 71 71 ARG N N 71 120.585 120.585 120.948 -0.363 18046
402 1 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.525 -0.295 18046
403 1 . 1 1 71 71 ARG C C 71 175.793 175.793 175.909 -0.116 18046
404 1 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.829 -0.730 18046
405 1 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.338 1.062 18046
406 1 . 1 1 71 71 ARG H H 71 8.341 8.341 8.279 0.062 18046
407 1 . 1 1 72 72 ASP N N 72 120.258 120.258 118.766 1.492 18046
408 1 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.523 -0.083 18046
409 1 . 1 1 72 72 ASP C C 72 178.038 178.038 176.957 1.081 18046
410 1 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.610 -2.080 18046
411 1 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.769 0.001 18046
412 1 . 1 1 72 72 ASP H H 72 8.471 8.471 8.415 0.056 18046
413 1 . 1 1 73 73 LEU N N 73 127.518 127.518 117.539 9.979 18046
414 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.210 -0.120 18046
415 1 . 1 1 73 73 LEU C C 73 177.417 177.417 177.728 -0.311 18046
416 1 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.643 0.357 18046
417 1 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.452 -1.452 18046
418 1 . 1 1 73 73 LEU H H 73 8.826 8.826 7.683 1.143 18046
419 1 . 1 1 74 74 ASP N N 74 117.787 117.787 117.578 0.209 18046
420 1 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.483 0.257 18046
421 1 . 1 1 74 74 ASP C C 74 175.765 175.765 176.567 -0.802 18046
422 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.987 -2.087 18046
423 1 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.877 -0.407 18046
424 1 . 1 1 74 74 ASP H H 74 8.480 8.480 8.151 0.329 18046
425 1 . 1 1 75 75 THR N N 75 119.682 119.682 116.759 2.923 18046
426 1 . 1 1 75 75 THR HA H 75 4.210 4.210 4.519 -0.309 18046
427 1 . 1 1 75 75 THR CA C 75 62.440 62.440 60.631 1.809 18046
428 1 . 1 1 75 75 THR CB C 75 70.940 70.940 69.299 1.641 18046
429 1 . 1 1 75 75 THR H H 75 7.303 7.303 7.659 -0.356 18046
430 1 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.391 -0.151 18046
431 1 . 1 1 76 76 PRO C C 76 174.823 174.823 175.959 -1.136 18046
432 1 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.408 1.192 18046
433 1 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.336 0.764 18046
434 1 . 1 1 77 77 ILE N N 77 121.906 121.906 119.807 2.099 18046
435 1 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.920 1.070 18046
436 1 . 1 1 77 77 ILE C C 77 176.571 176.571 176.526 0.045 18046
437 1 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.842 -1.342 18046
438 1 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.099 -0.999 18046
439 1 . 1 1 77 77 ILE H H 77 8.052 8.052 7.964 0.088 18046
440 1 . 1 1 78 78 ILE N N 78 130.054 130.054 128.141 1.913 18046
441 1 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.024 0.276 18046
442 1 . 1 1 78 78 ILE C C 78 175.471 175.471 175.394 0.077 18046
443 1 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.740 -0.940 18046
444 1 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.801 2.499 18046
445 1 . 1 1 78 78 ILE H H 78 8.977 8.977 8.265 0.712 18046
446 1 . 1 1 79 79 VAL N N 79 130.072 130.072 127.879 2.193 18046
447 1 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.951 0.739 18046
448 1 . 1 1 79 79 VAL C C 79 176.024 176.024 175.899 0.125 18046
449 1 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.455 0.445 18046
450 1 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.048 -0.348 18046
451 1 . 1 1 79 79 VAL H H 79 8.872 8.872 7.995 0.877 18046
452 1 . 1 1 80 80 VAL N N 80 129.055 129.055 126.628 2.427 18046
453 1 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.293 0.127 18046
454 1 . 1 1 80 80 VAL C C 80 173.028 173.028 174.588 -1.560 18046
455 1 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.716 -0.716 18046
456 1 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.213 1.187 18046
457 1 . 1 1 80 80 VAL H H 80 9.608 9.608 8.247 1.361 18046
458 1 . 1 1 81 81 LYS N N 81 123.854 123.854 123.222 0.632 18046
459 1 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.681 -0.511 18046
460 1 . 1 1 81 81 LYS C C 81 175.225 175.225 175.895 -0.670 18046
461 1 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.853 0.247 18046
462 1 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.814 -0.614 18046
463 1 . 1 1 81 81 LYS H H 81 8.441 8.441 8.344 0.097 18046
464 1 . 1 1 82 82 GLN N N 82 121.237 121.237 120.898 0.339 18046
465 1 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.103 -0.143 18046
466 1 . 1 1 82 82 GLN C C 82 177.016 177.016 176.353 0.663 18046
467 1 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.786 -0.286 18046
468 1 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.995 0.105 18046
469 1 . 1 1 82 82 GLN H H 82 6.493 6.493 8.676 -2.183 18046
470 1 . 1 1 83 83 GLY N N 83 118.629 118.629 113.299 5.330 18046
471 1 . 1 1 83 83 GLY C C 83 174.491 174.491 173.064 1.427 18046
472 1 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.336 1.065 18046
473 1 . 1 1 83 83 GLY H H 83 10.072 10.072 8.308 1.764 18046
474 1 . 1 1 84 84 PHE N N 84 120.834 120.834 120.026 0.808 18046
475 1 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.624 0.286 18046
476 1 . 1 1 84 84 PHE C C 84 177.056 177.056 174.310 2.746 18046
477 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.268 -0.768 18046
478 1 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.895 -2.195 18046
479 1 . 1 1 84 84 PHE H H 84 8.431 8.431 7.265 1.166 18046
480 1 . 1 1 85 85 GLU N N 85 125.174 125.174 125.485 -0.311 18046
481 1 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.784 -0.674 18046
482 1 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.598 4.283 18046
483 1 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.342 -3.172 18046
484 1 . 1 1 85 85 GLU H H 85 10.207 10.207 8.534 1.673 18046
485 1 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.488 0.262 18046
486 1 . 1 1 87 87 PRO C C 87 178.401 178.401 178.056 0.345 18046
487 1 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.876 -0.376 18046
488 1 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.965 -0.565 18046
489 1 . 1 1 88 88 THR N N 88 107.088 107.088 112.288 -5.200 18046
490 1 . 1 1 88 88 THR HA H 88 4.080 4.080 4.038 0.042 18046
491 1 . 1 1 88 88 THR C C 88 174.325 174.325 175.667 -1.342 18046
492 1 . 1 1 88 88 THR CA C 88 63.200 63.200 65.068 -1.868 18046
493 1 . 1 1 88 88 THR CB C 88 68.300 68.300 68.206 0.094 18046
494 1 . 1 1 88 88 THR H H 88 7.316 7.316 8.166 -0.850 18046
495 1 . 1 1 89 89 PHE N N 89 119.031 119.031 122.199 -3.168 18046
496 1 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.944 -0.024 18046
497 1 . 1 1 89 89 PHE C C 89 175.661 175.661 177.282 -1.621 18046
498 1 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.845 -0.845 18046
499 1 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.770 2.291 18046
500 1 . 1 1 89 89 PHE H H 89 7.437 7.437 7.854 -0.417 18046
501 1 . 1 1 90 90 THR N N 90 107.216 107.216 116.379 -9.163 18046
502 1 . 1 1 90 90 THR HA H 90 3.210 3.210 3.251 -0.041 18046
503 1 . 1 1 90 90 THR C C 90 177.340 177.340 176.706 0.634 18046
504 1 . 1 1 90 90 THR CA C 90 65.000 65.000 67.250 -2.250 18046
505 1 . 1 1 90 90 THR CB C 90 68.200 68.200 67.789 0.411 18046
506 1 . 1 1 90 90 THR H H 90 7.675 7.675 7.928 -0.253 18046
507 1 . 1 1 91 91 GLY N N 91 106.674 106.674 109.065 -2.391 18046
508 1 . 1 1 91 91 GLY C C 91 174.591 174.591 174.651 -0.060 18046
509 1 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.680 0.620 18046
510 1 . 1 1 91 91 GLY H H 91 7.865 7.865 7.392 0.473 18046
511 1 . 1 1 92 92 TRP N N 92 117.951 117.951 118.869 -0.918 18046
512 1 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.287 0.203 18046
513 1 . 1 1 92 92 TRP C C 92 174.042 174.042 176.121 -2.079 18046
514 1 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.966 0.504 18046
515 1 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.284 0.346 18046
516 1 . 1 1 92 92 TRP H H 92 7.018 7.018 7.173 -0.155 18046
517 1 . 1 1 93 93 PHE N N 93 118.863 118.863 115.798 3.065 18046
518 1 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.280 0.330 18046
519 1 . 1 1 93 93 PHE C C 93 175.872 175.872 176.801 -0.929 18046
520 1 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.739 0.161 18046
521 1 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.170 0.630 18046
522 1 . 1 1 93 93 PHE H H 93 7.956 7.956 7.651 0.305 18046
523 1 . 1 1 94 94 MET N N 94 121.781 121.781 118.931 2.850 18046
524 1 . 1 1 94 94 MET HA H 94 4.200 4.200 4.201 -0.001 18046
525 1 . 1 1 94 94 MET C C 94 175.794 175.794 176.098 -0.304 18046
526 1 . 1 1 94 94 MET CA C 94 57.900 57.900 56.380 1.520 18046
527 1 . 1 1 94 94 MET CB C 94 32.300 32.300 32.352 -0.052 18046
528 1 . 1 1 94 94 MET H H 94 8.825 8.825 8.586 0.239 18046
529 1 . 1 1 95 95 ALA N N 95 120.648 120.648 122.333 -1.684 18046
530 1 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.415 0.025 18046
531 1 . 1 1 95 95 ALA C C 95 175.600 175.600 176.534 -0.933 18046
532 1 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.976 0.824 18046
533 1 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.845 1.955 18046
534 1 . 1 1 95 95 ALA H H 95 8.037 8.037 7.578 0.459 18046
535 1 . 1 1 96 96 TRP N N 96 121.009 121.009 123.668 -2.659 18046
536 1 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.380 -0.170 18046
537 1 . 1 1 96 96 TRP C C 96 174.409 174.409 176.032 -1.623 18046
538 1 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.685 0.115 18046
539 1 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.961 0.539 18046
540 1 . 1 1 96 96 TRP H H 96 8.481 8.481 8.403 0.078 18046
541 1 . 1 1 97 97 ASP N N 97 128.963 128.963 121.212 7.751 18046
542 1 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.112 -0.022 18046
543 1 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.934 -1.374 18046
544 1 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.038 -0.508 18046
545 1 . 1 1 97 97 ASP H H 97 8.850 8.850 8.916 -0.066 18046
546 1 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.446 0.064 18046
547 1 . 1 1 98 98 PRO C C 98 177.169 177.169 177.318 -0.149 18046
548 1 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.113 0.087 18046
549 1 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.014 0.556 18046
550 1 . 1 1 99 99 LEU N N 99 118.381 118.381 119.340 -0.959 18046
551 1 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.490 0.040 18046
552 1 . 1 1 99 99 LEU C C 99 177.338 177.338 178.118 -0.780 18046
553 1 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.965 -0.415 18046
554 1 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.142 -0.392 18046
555 1 . 1 1 99 99 LEU H H 99 8.372 8.372 7.722 0.650 18046
556 1 . 1 1 100 100 CYS N N 100 119.396 119.396 119.113 0.283 18046
557 1 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.275 -0.665 18046
558 1 . 1 1 100 100 CYS C C 100 174.820 174.820 175.783 -0.963 18046
559 1 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.833 -0.333 18046
560 1 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.605 0.695 18046
561 1 . 1 1 100 100 CYS H H 100 7.052 7.052 7.911 -0.859 18046
562 1 . 1 1 101 101 TRP N N 101 115.737 115.737 121.064 -5.327 18046
563 1 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.630 0.150 18046
564 1 . 1 1 101 101 TRP C C 101 176.485 176.485 176.134 0.351 18046
565 1 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.353 1.547 18046
566 1 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.602 -0.502 18046
567 1 . 1 1 101 101 TRP H H 101 7.625 7.625 7.883 -0.258 18046
568 1 . 1 1 102 102 SER N N 102 115.896 115.896 115.482 0.414 18046
569 1 . 1 1 102 102 SER HA H 102 4.520 4.520 4.266 0.255 18046
570 1 . 1 1 102 102 SER C C 102 174.333 174.333 175.465 -1.132 18046
571 1 . 1 1 102 102 SER CA C 102 59.200 59.200 60.878 -1.678 18046
572 1 . 1 1 102 102 SER CB C 102 64.100 64.100 63.006 1.094 18046
573 1 . 1 1 102 102 SER H H 102 7.916 7.916 7.791 0.125 18046
574 1 . 1 1 103 103 ASP N N 103 122.262 122.262 120.566 1.696 18046
575 1 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.745 -0.085 18046
576 1 . 1 1 103 103 ASP C C 103 176.129 176.129 178.183 -2.054 18046
577 1 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.774 -1.074 18046
578 1 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.268 -0.268 18046
579 1 . 1 1 103 103 ASP H H 103 8.450 8.450 7.887 0.563 18046
580 1 . 1 1 104 104 ARG N N 104 120.795 120.795 119.541 1.254 18046
581 1 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.961 0.369 18046
582 1 . 1 1 104 104 ARG C C 104 176.283 176.283 177.764 -1.482 18046
583 1 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.300 -2.100 18046
584 1 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.631 1.119 18046
585 1 . 1 1 104 104 ARG H H 104 8.117 8.117 7.961 0.156 18046
586 1 . 1 1 105 105 LYS N N 105 122.131 122.131 117.022 5.109 18046
587 1 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.336 0.009 18046
588 1 . 1 1 105 105 LYS C C 105 176.284 176.284 176.584 -0.300 18046
589 1 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.683 -0.383 18046
590 1 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.827 0.273 18046
591 1 . 1 1 105 105 LYS H H 105 8.294 8.294 7.824 0.470 18046
592 1 . 1 1 106 106 SER N N 106 116.993 116.993 114.831 2.162 18046
593 1 . 1 1 106 106 SER HA H 106 4.470 4.470 4.550 -0.080 18046
594 1 . 1 1 106 106 SER CA C 106 58.300 58.300 57.750 0.550 18046
595 1 . 1 1 106 106 SER CB C 106 64.200 64.200 64.629 -0.429 18046
596 1 . 1 1 106 106 SER H H 106 8.235 8.235 7.669 0.566 18046
stop_
save_