data_19625
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19625
_Entry.PDB_ID 2MHC
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 19625
_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 SER HA H 2 4.320 4.320 4.779 -0.459 19625
2 1 1 . 1 1 2 2 SER C C 2 174.400 174.400 175.030 -0.630 19625
3 1 1 . 1 1 2 2 SER CA C 2 59.200 59.200 58.323 0.877 19625
4 1 1 . 1 1 2 2 SER CB C 2 64.800 64.800 64.198 0.602 19625
5 1 1 . 1 1 3 3 ARG N N 3 123.220 123.220 122.020 1.200 19625
6 1 1 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.636 -0.406 19625
7 1 1 . 1 1 3 3 ARG C C 3 176.320 176.320 175.375 0.945 19625
8 1 1 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.149 1.151 19625
9 1 1 . 1 1 3 3 ARG CB C 3 31.600 31.600 31.039 0.561 19625
10 1 1 . 1 1 3 3 ARG H H 3 8.590 8.590 8.115 0.475 19625
11 1 1 . 1 1 4 4 THR N N 4 114.540 114.540 115.129 -0.589 19625
12 1 1 . 1 1 4 4 THR HA H 4 4.270 4.270 4.473 -0.203 19625
13 1 1 . 1 1 4 4 THR C C 4 173.880 173.880 173.603 0.277 19625
14 1 1 . 1 1 4 4 THR CA C 4 62.200 62.200 61.311 0.889 19625
15 1 1 . 1 1 4 4 THR CB C 4 70.700 70.700 70.296 0.404 19625
16 1 1 . 1 1 4 4 THR H H 4 8.090 8.090 8.204 -0.114 19625
17 1 1 . 1 1 5 5 SER N N 5 117.410 117.410 117.884 -0.474 19625
18 1 1 . 1 1 5 5 SER HA H 5 4.320 4.320 4.894 -0.574 19625
19 1 1 . 1 1 5 5 SER C C 5 174.020 174.020 174.281 -0.261 19625
20 1 1 . 1 1 5 5 SER CA C 5 58.900 58.900 57.945 0.955 19625
21 1 1 . 1 1 5 5 SER CB C 5 64.700 64.700 63.870 0.830 19625
22 1 1 . 1 1 5 5 SER H H 5 8.100 8.100 8.357 -0.257 19625
23 1 1 . 1 1 6 6 ARG N N 6 122.330 122.330 126.278 -3.948 19625
24 1 1 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.519 -0.229 19625
25 1 1 . 1 1 6 6 ARG C C 6 176.850 176.850 175.949 0.901 19625
26 1 1 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.437 1.963 19625
27 1 1 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.709 2.692 19625
28 1 1 . 1 1 6 6 ARG H H 6 8.100 8.100 8.552 -0.452 19625
29 1 1 . 1 1 7 7 ILE N N 7 115.270 115.270 112.781 2.489 19625
30 1 1 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.464 0.106 19625
31 1 1 . 1 1 7 7 ILE C C 7 177.060 177.060 174.182 2.878 19625
32 1 1 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.140 2.090 19625
33 1 1 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.578 0.603 19625
34 1 1 . 1 1 7 7 ILE H H 7 8.550 8.550 8.497 0.053 19625
35 1 1 . 1 1 8 8 THR N N 8 120.840 120.840 116.645 4.195 19625
36 1 1 . 1 1 8 8 THR HA H 8 4.420 4.420 4.477 -0.057 19625
37 1 1 . 1 1 8 8 THR C C 8 172.530 172.530 173.124 -0.594 19625
38 1 1 . 1 1 8 8 THR CA C 8 63.100 63.100 61.832 1.268 19625
39 1 1 . 1 1 8 8 THR CB C 8 69.000 69.000 70.734 -1.734 19625
40 1 1 . 1 1 8 8 THR H H 8 8.030 8.030 7.921 0.109 19625
41 1 1 . 1 1 9 9 ALA N N 9 129.200 129.200 128.979 0.221 19625
42 1 1 . 1 1 9 9 ALA HA H 9 4.780 4.780 4.977 -0.197 19625
43 1 1 . 1 1 9 9 ALA C C 9 173.980 173.980 174.729 -0.749 19625
44 1 1 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.526 0.773 19625
45 1 1 . 1 1 9 9 ALA CB C 9 23.400 23.400 20.786 2.614 19625
46 1 1 . 1 1 9 9 ALA H H 9 9.210 9.210 9.224 -0.014 19625
47 1 1 . 1 1 10 10 LEU N N 10 124.830 124.830 128.363 -3.533 19625
48 1 1 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.129 -0.299 19625
49 1 1 . 1 1 10 10 LEU C C 10 174.400 174.400 174.596 -0.196 19625
50 1 1 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.562 0.238 19625
51 1 1 . 1 1 10 10 LEU CB C 10 41.500 41.500 43.888 -2.388 19625
52 1 1 . 1 1 10 10 LEU H H 10 8.720 8.720 9.049 -0.329 19625
53 1 1 . 1 1 11 11 TYR N N 11 122.470 122.470 128.379 -5.909 19625
54 1 1 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.469 0.361 19625
55 1 1 . 1 1 11 11 TYR C C 11 174.120 174.120 173.267 0.853 19625
56 1 1 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.675 1.425 19625
57 1 1 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.423 0.077 19625
58 1 1 . 1 1 11 11 TYR H H 11 8.000 8.000 8.608 -0.608 19625
59 1 1 . 1 1 12 12 GLU N N 12 121.360 121.360 127.370 -6.010 19625
60 1 1 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.605 -0.405 19625
61 1 1 . 1 1 12 12 GLU C C 12 172.720 172.720 173.709 -0.989 19625
62 1 1 . 1 1 12 12 GLU CA C 12 55.700 55.700 53.705 1.995 19625
63 1 1 . 1 1 12 12 GLU CB C 12 30.400 30.400 34.114 -3.714 19625
64 1 1 . 1 1 12 12 GLU H H 12 7.870 7.870 8.129 -0.259 19625
65 1 1 . 1 1 13 13 ARG N N 13 118.180 118.180 121.151 -2.971 19625
66 1 1 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.970 -0.100 19625
67 1 1 . 1 1 13 13 ARG C C 13 174.680 174.680 174.331 0.349 19625
68 1 1 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.054 0.746 19625
69 1 1 . 1 1 13 13 ARG CB C 13 35.360 35.360 32.645 2.715 19625
70 1 1 . 1 1 13 13 ARG H H 13 7.290 7.290 8.367 -1.077 19625
71 1 1 . 1 1 14 14 LEU N N 14 131.070 131.070 126.878 4.192 19625
72 1 1 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.780 -0.390 19625
73 1 1 . 1 1 14 14 LEU C C 14 172.930 172.930 175.089 -2.159 19625
74 1 1 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.443 2.957 19625
75 1 1 . 1 1 14 14 LEU CB C 14 47.800 47.800 44.567 3.233 19625
76 1 1 . 1 1 14 14 LEU H H 14 8.010 8.010 8.970 -0.960 19625
77 1 1 . 1 1 15 15 SER N N 15 118.940 118.940 117.293 1.647 19625
78 1 1 . 1 1 15 15 SER HA H 15 4.520 4.520 4.685 -0.165 19625
79 1 1 . 1 1 15 15 SER C C 15 175.380 175.380 175.560 -0.180 19625
80 1 1 . 1 1 15 15 SER CA C 15 58.300 58.300 56.589 1.711 19625
81 1 1 . 1 1 15 15 SER CB C 15 65.300 65.300 64.909 0.391 19625
82 1 1 . 1 1 15 15 SER H H 15 8.580 8.580 8.282 0.298 19625
83 1 1 . 1 1 16 16 ARG N N 16 123.190 123.190 126.448 -3.258 19625
84 1 1 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.332 -0.372 19625
85 1 1 . 1 1 16 16 ARG C C 16 177.410 177.410 176.468 0.942 19625
86 1 1 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.329 2.171 19625
87 1 1 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.227 0.173 19625
88 1 1 . 1 1 16 16 ARG H H 16 8.980 8.980 8.834 0.146 19625
89 1 1 . 1 1 17 17 ASP N N 17 115.110 115.110 117.507 -2.397 19625
90 1 1 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.775 -0.475 19625
91 1 1 . 1 1 17 17 ASP C C 17 176.090 176.090 176.168 -0.078 19625
92 1 1 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.348 0.252 19625
93 1 1 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.890 -0.790 19625
94 1 1 . 1 1 17 17 ASP H H 17 8.160 8.160 7.719 0.441 19625
95 1 1 . 1 1 18 18 ASP N N 18 119.390 119.390 121.206 -1.816 19625
96 1 1 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.591 -0.291 19625
97 1 1 . 1 1 18 18 ASP C C 18 175.750 175.750 176.135 -0.385 19625
98 1 1 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.368 1.932 19625
99 1 1 . 1 1 18 18 ASP CB C 18 42.740 42.740 41.617 1.123 19625
100 1 1 . 1 1 18 18 ASP H H 18 7.240 7.240 7.599 -0.359 19625
101 1 1 . 1 1 19 19 ASP N N 19 117.850 117.850 119.136 -1.286 19625
102 1 1 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.636 -0.406 19625
103 1 1 . 1 1 19 19 ASP C C 19 175.300 175.300 177.555 -2.255 19625
104 1 1 . 1 1 19 19 ASP CA C 19 56.030 56.030 53.980 2.050 19625
105 1 1 . 1 1 19 19 ASP CB C 19 41.060 41.060 41.279 -0.219 19625
106 1 1 . 1 1 19 19 ASP H H 19 8.000 8.000 8.545 -0.545 19625
107 1 1 . 1 1 20 20 LEU N N 20 120.230 120.230 118.811 1.419 19625
108 1 1 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.117 0.263 19625
109 1 1 . 1 1 20 20 LEU C C 20 176.830 176.830 177.087 -0.257 19625
110 1 1 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.989 -0.889 19625
111 1 1 . 1 1 20 20 LEU CB C 20 43.480 43.480 41.597 1.883 19625
112 1 1 . 1 1 20 20 LEU H H 20 7.960 7.960 7.819 0.141 19625
113 1 1 . 1 1 21 21 THR N N 21 113.040 113.040 108.357 4.683 19625
114 1 1 . 1 1 21 21 THR HA H 21 4.290 4.290 4.097 0.193 19625
115 1 1 . 1 1 21 21 THR C C 21 174.900 174.900 173.974 0.926 19625
116 1 1 . 1 1 21 21 THR CA C 21 61.970 61.970 62.205 -0.235 19625
117 1 1 . 1 1 21 21 THR CB C 21 71.200 71.200 68.967 2.233 19625
118 1 1 . 1 1 21 21 THR H H 21 8.070 8.070 7.865 0.205 19625
119 1 1 . 1 1 22 22 GLY N N 22 110.100 110.100 112.295 -2.195 19625
120 1 1 . 1 1 22 22 GLY C C 22 175.110 175.110 173.967 1.143 19625
121 1 1 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.635 0.335 19625
122 1 1 . 1 1 22 22 GLY H H 22 8.230 8.230 8.414 -0.184 19625
123 1 1 . 1 1 23 23 GLU N N 23 121.940 121.940 121.888 0.052 19625
124 1 1 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.512 -0.512 19625
125 1 1 . 1 1 23 23 GLU C C 23 178.200 178.200 177.579 0.621 19625
126 1 1 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.577 1.323 19625
127 1 1 . 1 1 23 23 GLU CB C 23 30.600 30.600 30.155 0.445 19625
128 1 1 . 1 1 23 23 GLU H H 23 8.550 8.550 8.318 0.232 19625
129 1 1 . 1 1 24 24 SER N N 24 114.930 114.930 114.491 0.439 19625
130 1 1 . 1 1 24 24 SER HA H 24 3.990 3.990 4.294 -0.304 19625
131 1 1 . 1 1 24 24 SER C C 24 174.000 174.000 174.474 -0.474 19625
132 1 1 . 1 1 24 24 SER CA C 24 61.610 61.610 59.545 2.065 19625
133 1 1 . 1 1 24 24 SER CB C 24 63.600 63.600 62.876 0.724 19625
134 1 1 . 1 1 24 24 SER H H 24 8.290 8.290 8.293 -0.003 19625
135 1 1 . 1 1 25 25 ASN N N 25 117.820 117.820 117.192 0.628 19625
136 1 1 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.754 -0.024 19625
137 1 1 . 1 1 25 25 ASN C C 25 174.380 174.380 174.824 -0.444 19625
138 1 1 . 1 1 25 25 ASN CA C 25 53.100 53.100 53.386 -0.286 19625
139 1 1 . 1 1 25 25 ASN CB C 25 40.800 40.800 38.469 2.330 19625
140 1 1 . 1 1 25 25 ASN H H 25 7.620 7.620 8.206 -0.586 19625
141 1 1 . 1 1 26 26 SER N N 26 115.050 115.050 114.428 0.622 19625
142 1 1 . 1 1 26 26 SER HA H 26 4.140 4.140 4.720 -0.580 19625
143 1 1 . 1 1 26 26 SER C C 26 174.660 174.660 173.017 1.643 19625
144 1 1 . 1 1 26 26 SER CA C 26 58.500 58.500 58.925 -0.425 19625
145 1 1 . 1 1 26 26 SER CB C 26 65.000 65.000 64.691 0.309 19625
146 1 1 . 1 1 26 26 SER H H 26 7.510 7.510 7.778 -0.268 19625
147 1 1 . 1 1 27 27 ILE N N 27 124.200 124.200 117.250 6.950 19625
148 1 1 . 1 1 27 27 ILE HA H 27 3.460 3.460 4.425 -0.965 19625
149 1 1 . 1 1 27 27 ILE C C 27 177.540 177.540 175.679 1.861 19625
150 1 1 . 1 1 27 27 ILE CA C 27 63.440 63.440 62.797 0.643 19625
151 1 1 . 1 1 27 27 ILE CB C 27 36.400 36.400 38.471 -2.071 19625
152 1 1 . 1 1 27 27 ILE H H 27 8.960 8.960 7.907 1.053 19625
153 1 1 . 1 1 28 28 THR N N 28 114.810 114.810 118.291 -3.481 19625
154 1 1 . 1 1 28 28 THR HA H 28 3.510 3.510 4.007 -0.497 19625
155 1 1 . 1 1 28 28 THR C C 28 176.210 176.210 176.070 0.140 19625
156 1 1 . 1 1 28 28 THR CA C 28 67.300 67.300 66.594 0.706 19625
157 1 1 . 1 1 28 28 THR CB C 28 69.240 69.240 68.707 0.533 19625
158 1 1 . 1 1 28 28 THR H H 28 8.030 8.030 8.407 -0.377 19625
159 1 1 . 1 1 29 29 ASN N N 29 120.670 120.670 119.420 1.250 19625
160 1 1 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.446 -0.046 19625
161 1 1 . 1 1 29 29 ASN C C 29 175.110 175.110 177.748 -2.638 19625
162 1 1 . 1 1 29 29 ASN CA C 29 57.100 57.100 57.010 0.090 19625
163 1 1 . 1 1 29 29 ASN CB C 29 38.700 38.700 37.660 1.040 19625
164 1 1 . 1 1 29 29 ASN H H 29 7.640 7.640 8.751 -1.111 19625
165 1 1 . 1 1 30 30 GLN N N 30 122.180 122.180 119.025 3.155 19625
166 1 1 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.210 -0.360 19625
167 1 1 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.763 2.747 19625
168 1 1 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.859 4.201 19625
169 1 1 . 1 1 30 30 GLN H H 30 8.620 8.620 8.115 0.505 19625
170 1 1 . 1 1 31 31 LYS N N 31 116.860 116.860 120.131 -3.271 19625
171 1 1 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.103 -0.273 19625
172 1 1 . 1 1 31 31 LYS C C 31 178.370 178.370 179.319 -0.949 19625
173 1 1 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.873 1.427 19625
174 1 1 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.255 1.325 19625
175 1 1 . 1 1 31 31 LYS H H 31 8.230 8.230 7.890 0.340 19625
176 1 1 . 1 1 32 32 LYS N N 32 117.720 117.720 119.212 -1.492 19625
177 1 1 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.106 -0.256 19625
178 1 1 . 1 1 32 32 LYS C C 32 177.840 177.840 178.866 -1.026 19625
179 1 1 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.610 0.590 19625
180 1 1 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.221 1.279 19625
181 1 1 . 1 1 32 32 LYS H H 32 7.470 7.470 8.247 -0.777 19625
182 1 1 . 1 1 33 33 TYR N N 33 120.230 120.230 121.788 -1.558 19625
183 1 1 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.163 -0.023 19625
184 1 1 . 1 1 33 33 TYR C C 33 178.990 178.990 177.547 1.443 19625
185 1 1 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.013 -0.113 19625
186 1 1 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.405 1.845 19625
187 1 1 . 1 1 33 33 TYR H H 33 8.210 8.210 7.772 0.438 19625
188 1 1 . 1 1 34 34 LEU N N 34 117.680 117.680 118.012 -0.332 19625
189 1 1 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.930 -0.150 19625
190 1 1 . 1 1 34 34 LEU C C 34 178.370 178.370 179.084 -0.714 19625
191 1 1 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.573 1.427 19625
192 1 1 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.319 2.681 19625
193 1 1 . 1 1 34 34 LEU H H 34 8.270 8.270 8.101 0.169 19625
194 1 1 . 1 1 35 35 GLU N N 35 120.040 120.040 120.282 -0.242 19625
195 1 1 . 1 1 35 35 GLU HA H 35 3.600 3.600 4.013 -0.413 19625
196 1 1 . 1 1 35 35 GLU C C 35 178.480 178.480 178.861 -0.381 19625
197 1 1 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.334 1.166 19625
198 1 1 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.495 0.905 19625
199 1 1 . 1 1 35 35 GLU H H 35 8.490 8.490 7.904 0.586 19625
200 1 1 . 1 1 36 36 ASP N N 36 119.540 119.540 119.235 0.305 19625
201 1 1 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.343 -0.143 19625
202 1 1 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.070 1.330 19625
203 1 1 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.693 0.707 19625
204 1 1 . 1 1 36 36 ASP H H 36 8.410 8.410 8.302 0.108 19625
205 1 1 . 1 1 37 37 TYR N N 37 120.120 120.120 121.022 -0.902 19625
206 1 1 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.134 -0.554 19625
207 1 1 . 1 1 37 37 TYR C C 37 178.270 178.270 176.880 1.390 19625
208 1 1 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.370 1.630 19625
209 1 1 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.547 1.113 19625
210 1 1 . 1 1 37 37 TYR H H 37 7.560 7.560 7.563 -0.003 19625
211 1 1 . 1 1 38 38 ALA N N 38 122.290 122.290 121.108 1.182 19625
212 1 1 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.298 -0.378 19625
213 1 1 . 1 1 38 38 ALA C C 38 178.770 178.770 179.654 -0.884 19625
214 1 1 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.491 0.609 19625
215 1 1 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.430 0.470 19625
216 1 1 . 1 1 38 38 ALA H H 38 8.740 8.740 9.020 -0.280 19625
217 1 1 . 1 1 39 39 ARG N N 39 117.070 117.070 116.744 0.326 19625
218 1 1 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.104 -0.164 19625
219 1 1 . 1 1 39 39 ARG C C 39 180.550 180.550 178.253 2.297 19625
220 1 1 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.266 1.934 19625
221 1 1 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.100 0.500 19625
222 1 1 . 1 1 39 39 ARG H H 39 8.390 8.390 8.411 -0.021 19625
223 1 1 . 1 1 40 40 ARG N N 40 118.990 118.990 118.414 0.576 19625
224 1 1 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.080 -0.230 19625
225 1 1 . 1 1 40 40 ARG C C 40 177.010 177.010 177.618 -0.608 19625
226 1 1 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.127 1.373 19625
227 1 1 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.559 1.141 19625
228 1 1 . 1 1 40 40 ARG H H 40 8.030 8.030 7.744 0.286 19625
229 1 1 . 1 1 41 41 ASN N N 41 113.570 113.570 115.939 -2.369 19625
230 1 1 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.450 -0.130 19625
231 1 1 . 1 1 41 41 ASN C C 41 173.550 173.550 175.341 -1.791 19625
232 1 1 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.870 0.530 19625
233 1 1 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.992 0.708 19625
234 1 1 . 1 1 41 41 ASN H H 41 7.020 7.020 7.942 -0.922 19625
235 1 1 . 1 1 42 42 GLY N N 42 106.670 106.670 108.069 -1.399 19625
236 1 1 . 1 1 42 42 GLY C C 42 174.120 174.120 173.419 0.701 19625
237 1 1 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.653 2.647 19625
238 1 1 . 1 1 42 42 GLY H H 42 7.230 7.230 7.840 -0.610 19625
239 1 1 . 1 1 43 43 PHE N N 43 119.360 119.360 119.781 -0.421 19625
240 1 1 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.697 -0.357 19625
241 1 1 . 1 1 43 43 PHE C C 43 174.900 174.900 175.361 -0.461 19625
242 1 1 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.842 2.158 19625
243 1 1 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.387 -0.887 19625
244 1 1 . 1 1 43 43 PHE H H 43 7.870 7.870 8.287 -0.417 19625
245 1 1 . 1 1 44 44 GLU N N 44 119.760 119.760 122.109 -2.349 19625
246 1 1 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.483 -0.113 19625
247 1 1 . 1 1 44 44 GLU C C 44 175.870 175.870 175.979 -0.109 19625
248 1 1 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.737 0.773 19625
249 1 1 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.427 2.273 19625
250 1 1 . 1 1 44 44 GLU H H 44 8.510 8.510 8.644 -0.134 19625
251 1 1 . 1 1 45 45 ASN N N 45 118.280 118.280 115.298 2.982 19625
252 1 1 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.368 -0.208 19625
253 1 1 . 1 1 45 45 ASN C C 45 174.730 174.730 174.835 -0.105 19625
254 1 1 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.231 -0.031 19625
255 1 1 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.901 0.799 19625
256 1 1 . 1 1 45 45 ASN H H 45 8.710 8.710 8.720 -0.010 19625
257 1 1 . 1 1 46 46 ILE N N 46 117.440 117.440 119.012 -1.572 19625
258 1 1 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.799 0.581 19625
259 1 1 . 1 1 46 46 ILE C C 46 177.370 177.370 175.656 1.714 19625
260 1 1 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.475 -0.175 19625
261 1 1 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.269 3.631 19625
262 1 1 . 1 1 46 46 ILE H H 46 7.840 7.840 8.198 -0.358 19625
263 1 1 . 1 1 47 47 ARG N N 47 126.600 126.600 128.330 -1.730 19625
264 1 1 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.353 -0.103 19625
265 1 1 . 1 1 47 47 ARG C C 47 173.900 173.900 174.659 -0.759 19625
266 1 1 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.248 1.652 19625
267 1 1 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.762 3.338 19625
268 1 1 . 1 1 47 47 ARG H H 47 8.440 8.440 8.091 0.349 19625
269 1 1 . 1 1 48 48 HIS N N 48 122.600 122.600 123.197 -0.597 19625
270 1 1 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.954 0.226 19625
271 1 1 . 1 1 48 48 HIS C C 48 175.370 175.370 174.869 0.501 19625
272 1 1 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.352 2.147 19625
273 1 1 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.536 1.964 19625
274 1 1 . 1 1 48 48 HIS H H 48 8.530 8.530 8.503 0.027 19625
275 1 1 . 1 1 49 49 PHE N N 49 124.090 124.090 126.411 -2.321 19625
276 1 1 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.832 -0.352 19625
277 1 1 . 1 1 49 49 PHE C C 49 173.760 173.760 175.110 -1.350 19625
278 1 1 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.526 1.874 19625
279 1 1 . 1 1 49 49 PHE CB C 49 42.500 42.500 39.161 3.339 19625
280 1 1 . 1 1 49 49 PHE H H 49 9.340 9.340 9.477 -0.137 19625
281 1 1 . 1 1 50 50 THR N N 50 117.900 117.900 118.653 -0.753 19625
282 1 1 . 1 1 50 50 THR HA H 50 4.720 4.720 4.413 0.307 19625
283 1 1 . 1 1 50 50 THR C C 50 172.640 172.640 173.666 -1.026 19625
284 1 1 . 1 1 50 50 THR CA C 50 63.200 63.200 62.515 0.685 19625
285 1 1 . 1 1 50 50 THR CB C 50 72.300 72.300 70.347 1.953 19625
286 1 1 . 1 1 50 50 THR H H 50 8.530 8.530 8.802 -0.272 19625
287 1 1 . 1 1 51 51 ASP N N 51 127.240 127.240 122.267 4.973 19625
288 1 1 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.221 1.049 19625
289 1 1 . 1 1 51 51 ASP C C 51 173.530 173.530 174.308 -0.778 19625
290 1 1 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.838 2.162 19625
291 1 1 . 1 1 51 51 ASP CB C 51 44.300 44.300 42.747 1.553 19625
292 1 1 . 1 1 51 51 ASP H H 51 8.560 8.560 8.418 0.142 19625
293 1 1 . 1 1 52 52 ASP N N 52 125.700 125.700 121.529 4.171 19625
294 1 1 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.499 0.011 19625
295 1 1 . 1 1 52 52 ASP C C 52 175.090 175.090 176.137 -1.047 19625
296 1 1 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.584 0.266 19625
297 1 1 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.022 0.078 19625
298 1 1 . 1 1 52 52 ASP H H 52 9.210 9.210 7.345 1.865 19625
299 1 1 . 1 1 53 53 GLY N N 53 113.640 113.640 113.448 0.192 19625
300 1 1 . 1 1 53 53 GLY C C 53 173.950 173.950 174.266 -0.316 19625
301 1 1 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.667 0.933 19625
302 1 1 . 1 1 53 53 GLY H H 53 8.660 8.660 8.439 0.221 19625
303 1 1 . 1 1 54 54 PHE N N 54 116.490 116.490 119.871 -3.381 19625
304 1 1 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.642 -0.162 19625
305 1 1 . 1 1 54 54 PHE C C 54 174.240 174.240 176.302 -2.062 19625
306 1 1 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.360 1.840 19625
307 1 1 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.638 3.262 19625
308 1 1 . 1 1 54 54 PHE H H 54 6.780 6.780 8.170 -1.390 19625
309 1 1 . 1 1 55 55 SER N N 55 118.160 118.160 117.623 0.537 19625
310 1 1 . 1 1 55 55 SER HA H 55 4.190 4.190 4.548 -0.358 19625
311 1 1 . 1 1 55 55 SER C C 55 175.490 175.490 174.669 0.821 19625
312 1 1 . 1 1 55 55 SER CA C 55 59.000 59.000 58.612 0.388 19625
313 1 1 . 1 1 55 55 SER CB C 55 63.600 63.600 64.406 -0.806 19625
314 1 1 . 1 1 55 55 SER H H 55 8.620 8.620 8.436 0.184 19625
315 1 1 . 1 1 56 56 GLY N N 56 113.640 113.640 109.855 3.785 19625
316 1 1 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.095 0.705 19625
317 1 1 . 1 1 56 56 GLY H H 56 8.990 8.990 8.636 0.354 19625
318 1 1 . 1 1 57 57 VAL N N 57 118.020 118.020 118.515 -0.495 19625
319 1 1 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.235 -0.615 19625
320 1 1 . 1 1 57 57 VAL C C 57 173.800 173.800 176.047 -2.247 19625
321 1 1 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.909 2.641 19625
322 1 1 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.704 -0.094 19625
323 1 1 . 1 1 57 57 VAL H H 57 8.250 8.250 7.798 0.452 19625
324 1 1 . 1 1 58 58 ASN N N 58 112.780 112.780 115.210 -2.430 19625
325 1 1 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.467 0.013 19625
326 1 1 . 1 1 58 58 ASN C C 58 174.310 174.310 173.628 0.682 19625
327 1 1 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.861 -0.341 19625
328 1 1 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.806 3.094 19625
329 1 1 . 1 1 58 58 ASN H H 58 6.830 6.830 7.790 -0.960 19625
330 1 1 . 1 1 59 59 PHE N N 59 118.570 118.570 118.480 0.090 19625
331 1 1 . 1 1 59 59 PHE HA H 59 3.940 3.940 4.071 -0.131 19625
332 1 1 . 1 1 59 59 PHE C C 59 175.310 175.310 174.103 1.207 19625
333 1 1 . 1 1 59 59 PHE CA C 59 59.300 59.300 56.403 2.897 19625
334 1 1 . 1 1 59 59 PHE CB C 59 38.600 38.600 40.097 -1.498 19625
335 1 1 . 1 1 59 59 PHE H H 59 8.950 8.950 8.192 0.758 19625
336 1 1 . 1 1 60 60 ASN N N 60 124.690 124.690 116.273 8.417 19625
337 1 1 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.276 0.454 19625
338 1 1 . 1 1 60 60 ASN C C 60 172.860 172.860 173.284 -0.424 19625
339 1 1 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.227 -0.227 19625
340 1 1 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.799 -0.699 19625
341 1 1 . 1 1 60 60 ASN H H 60 8.620 8.620 7.589 1.031 19625
342 1 1 . 1 1 61 61 ARG N N 61 119.260 119.260 118.607 0.653 19625
343 1 1 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.757 -0.357 19625
344 1 1 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.422 -2.832 19625
345 1 1 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.545 1.515 19625
346 1 1 . 1 1 61 61 ARG H H 61 7.440 7.440 7.719 -0.279 19625
347 1 1 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.380 -0.230 19625
348 1 1 . 1 1 62 62 PRO C C 62 179.790 179.790 178.627 1.163 19625
349 1 1 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.163 0.037 19625
350 1 1 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.051 0.849 19625
351 1 1 . 1 1 63 63 GLY N N 63 117.020 117.020 106.300 10.720 19625
352 1 1 . 1 1 63 63 GLY C C 63 176.580 176.580 176.292 0.288 19625
353 1 1 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.262 0.438 19625
354 1 1 . 1 1 63 63 GLY H H 63 10.740 10.740 9.197 1.543 19625
355 1 1 . 1 1 64 64 PHE N N 64 125.390 125.390 122.457 2.933 19625
356 1 1 . 1 1 64 64 PHE HA H 64 3.560 3.560 3.703 -0.143 19625
357 1 1 . 1 1 64 64 PHE C C 64 176.330 176.330 176.518 -0.188 19625
358 1 1 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.586 3.714 19625
359 1 1 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.582 2.018 19625
360 1 1 . 1 1 64 64 PHE H H 64 9.180 9.180 8.134 1.046 19625
361 1 1 . 1 1 65 65 GLN N N 65 115.560 115.560 118.350 -2.790 19625
362 1 1 . 1 1 65 65 GLN HA H 65 3.690 3.690 3.977 -0.287 19625
363 1 1 . 1 1 65 65 GLN C C 65 179.240 179.240 178.638 0.602 19625
364 1 1 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.793 0.307 19625
365 1 1 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.196 0.204 19625
366 1 1 . 1 1 65 65 GLN H H 65 8.480 8.480 9.054 -0.574 19625
367 1 1 . 1 1 66 66 SER N N 66 116.700 116.700 115.481 1.219 19625
368 1 1 . 1 1 66 66 SER HA H 66 4.080 4.080 4.235 -0.155 19625
369 1 1 . 1 1 66 66 SER C C 66 175.920 175.920 176.287 -0.367 19625
370 1 1 . 1 1 66 66 SER CA C 66 62.930 62.930 61.802 1.128 19625
371 1 1 . 1 1 66 66 SER CB C 66 63.880 63.880 63.281 0.599 19625
372 1 1 . 1 1 66 66 SER H H 66 8.010 8.010 7.632 0.378 19625
373 1 1 . 1 1 67 67 LEU N N 67 124.100 124.100 122.766 1.334 19625
374 1 1 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.285 0.535 19625
375 1 1 . 1 1 67 67 LEU C C 67 177.790 177.790 178.003 -0.213 19625
376 1 1 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.019 1.381 19625
377 1 1 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.456 0.644 19625
378 1 1 . 1 1 67 67 LEU H H 67 7.830 7.830 7.278 0.552 19625
379 1 1 . 1 1 68 68 ILE N N 68 118.610 118.610 119.058 -0.448 19625
380 1 1 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.469 -0.229 19625
381 1 1 . 1 1 68 68 ILE C C 68 177.730 177.730 177.232 0.498 19625
382 1 1 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.863 -1.763 19625
383 1 1 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.443 -2.343 19625
384 1 1 . 1 1 68 68 ILE H H 68 8.030 8.030 8.346 -0.316 19625
385 1 1 . 1 1 69 69 LYS N N 69 120.680 120.680 120.937 -0.257 19625
386 1 1 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.114 -0.214 19625
387 1 1 . 1 1 69 69 LYS C C 69 180.050 180.050 178.641 1.409 19625
388 1 1 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.674 1.126 19625
389 1 1 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.679 0.921 19625
390 1 1 . 1 1 69 69 LYS H H 69 7.500 7.500 8.197 -0.697 19625
391 1 1 . 1 1 70 70 GLU N N 70 118.700 118.700 118.410 0.290 19625
392 1 1 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.144 -0.084 19625
393 1 1 . 1 1 70 70 GLU C C 70 178.860 178.860 179.040 -0.180 19625
394 1 1 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.563 0.937 19625
395 1 1 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.153 0.547 19625
396 1 1 . 1 1 70 70 GLU H H 70 7.300 7.300 7.715 -0.415 19625
397 1 1 . 1 1 71 71 VAL N N 71 121.570 121.570 119.787 1.783 19625
398 1 1 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.373 0.107 19625
399 1 1 . 1 1 71 71 VAL C C 71 180.380 180.380 177.848 2.532 19625
400 1 1 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.837 -0.737 19625
401 1 1 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.530 0.670 19625
402 1 1 . 1 1 71 71 VAL H H 71 8.380 8.380 7.383 0.997 19625
403 1 1 . 1 1 72 72 GLU N N 72 120.090 120.090 118.916 1.174 19625
404 1 1 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.141 -0.581 19625
405 1 1 . 1 1 72 72 GLU C C 72 177.470 177.470 178.564 -1.094 19625
406 1 1 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.555 2.245 19625
407 1 1 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.290 1.150 19625
408 1 1 . 1 1 72 72 GLU H H 72 9.010 9.010 8.369 0.641 19625
409 1 1 . 1 1 73 73 ALA N N 73 118.560 118.560 120.802 -2.242 19625
410 1 1 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.202 -0.082 19625
411 1 1 . 1 1 73 73 ALA C C 73 177.350 177.350 177.896 -0.546 19625
412 1 1 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.681 0.719 19625
413 1 1 . 1 1 73 73 ALA CB C 73 20.000 20.000 19.095 0.905 19625
414 1 1 . 1 1 73 73 ALA H H 73 7.320 7.320 7.697 -0.377 19625
415 1 1 . 1 1 74 74 GLY N N 74 105.060 105.060 105.957 -0.897 19625
416 1 1 . 1 1 74 74 GLY C C 74 176.280 176.280 173.880 2.400 19625
417 1 1 . 1 1 74 74 GLY CA C 74 46.500 46.500 44.938 1.562 19625
418 1 1 . 1 1 74 74 GLY H H 74 7.690 7.690 7.405 0.285 19625
419 1 1 . 1 1 75 75 ASN N N 75 115.690 115.690 117.294 -1.604 19625
420 1 1 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.828 -0.128 19625
421 1 1 . 1 1 75 75 ASN C C 75 174.100 174.100 175.777 -1.677 19625
422 1 1 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.368 1.032 19625
423 1 1 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.933 -0.333 19625
424 1 1 . 1 1 75 75 ASN H H 75 7.710 7.710 8.594 -0.884 19625
425 1 1 . 1 1 76 76 VAL N N 76 120.710 120.710 125.155 -4.445 19625
426 1 1 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.893 0.057 19625
427 1 1 . 1 1 76 76 VAL C C 76 173.190 173.190 175.610 -2.420 19625
428 1 1 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.203 -0.503 19625
429 1 1 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.719 3.481 19625
430 1 1 . 1 1 76 76 VAL H H 76 8.150 8.150 7.262 0.888 19625
431 1 1 . 1 1 77 77 GLU N N 77 127.930 127.930 127.153 0.777 19625
432 1 1 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.502 -0.182 19625
433 1 1 . 1 1 77 77 GLU C C 77 175.850 175.850 175.969 -0.119 19625
434 1 1 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.851 1.749 19625
435 1 1 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.403 1.697 19625
436 1 1 . 1 1 77 77 GLU H H 77 9.040 9.040 9.239 -0.199 19625
437 1 1 . 1 1 78 78 THR N N 78 115.080 115.080 113.629 1.451 19625
438 1 1 . 1 1 78 78 THR HA H 78 5.010 5.010 4.664 0.346 19625
439 1 1 . 1 1 78 78 THR C C 78 170.340 170.340 171.856 -1.516 19625
440 1 1 . 1 1 78 78 THR CA C 78 61.500 61.500 61.456 0.044 19625
441 1 1 . 1 1 78 78 THR CB C 78 72.100 72.100 72.089 0.011 19625
442 1 1 . 1 1 78 78 THR H H 78 7.150 7.150 7.326 -0.176 19625
443 1 1 . 1 1 79 79 LEU N N 79 130.190 130.190 125.443 4.747 19625
444 1 1 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.941 0.169 19625
445 1 1 . 1 1 79 79 LEU C C 79 172.640 172.640 174.034 -1.394 19625
446 1 1 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.072 1.129 19625
447 1 1 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.345 1.955 19625
448 1 1 . 1 1 79 79 LEU H H 79 8.810 8.810 8.429 0.381 19625
449 1 1 . 1 1 80 80 ILE N N 80 125.290 125.290 128.002 -2.712 19625
450 1 1 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.036 0.854 19625
451 1 1 . 1 1 80 80 ILE C C 80 174.260 174.260 173.824 0.436 19625
452 1 1 . 1 1 80 80 ILE CA C 80 60.500 60.500 59.970 0.530 19625
453 1 1 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.228 1.372 19625
454 1 1 . 1 1 80 80 ILE H H 80 8.760 8.760 9.212 -0.452 19625
455 1 1 . 1 1 81 81 VAL N N 81 114.530 114.530 126.261 -11.731 19625
456 1 1 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.822 0.088 19625
457 1 1 . 1 1 81 81 VAL C C 81 175.310 175.310 176.487 -1.177 19625
458 1 1 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.035 0.065 19625
459 1 1 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.364 2.236 19625
460 1 1 . 1 1 81 81 VAL H H 81 8.030 8.030 8.649 -0.619 19625
461 1 1 . 1 1 82 82 LYS N N 82 122.730 122.730 122.541 0.189 19625
462 1 1 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.104 -0.454 19625
463 1 1 . 1 1 82 82 LYS C C 82 174.470 174.470 175.415 -0.945 19625
464 1 1 . 1 1 82 82 LYS CA C 82 61.500 61.500 58.939 2.561 19625
465 1 1 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.983 1.317 19625
466 1 1 . 1 1 82 82 LYS H H 82 9.540 9.540 8.472 1.068 19625
467 1 1 . 1 1 83 83 ASP N N 83 108.020 108.020 110.931 -2.911 19625
468 1 1 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.728 -0.168 19625
469 1 1 . 1 1 83 83 ASP C C 83 175.310 175.310 176.306 -0.996 19625
470 1 1 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.564 0.236 19625
471 1 1 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.252 2.148 19625
472 1 1 . 1 1 83 83 ASP H H 83 7.080 7.080 7.683 -0.603 19625
473 1 1 . 1 1 84 84 MET N N 84 120.990 120.990 118.491 2.499 19625
474 1 1 . 1 1 84 84 MET HA H 84 4.190 4.190 4.298 -0.108 19625
475 1 1 . 1 1 84 84 MET C C 84 177.910 177.910 177.162 0.748 19625
476 1 1 . 1 1 84 84 MET CA C 84 59.000 59.000 57.527 1.473 19625
477 1 1 . 1 1 84 84 MET CB C 84 32.460 32.460 31.951 0.509 19625
478 1 1 . 1 1 84 84 MET H H 84 9.290 9.290 8.687 0.603 19625
479 1 1 . 1 1 85 85 SER N N 85 113.930 113.930 115.945 -2.015 19625
480 1 1 . 1 1 85 85 SER HA H 85 4.310 4.310 4.186 0.124 19625
481 1 1 . 1 1 85 85 SER C C 85 177.010 177.010 176.568 0.442 19625
482 1 1 . 1 1 85 85 SER CA C 85 61.700 61.700 61.348 0.352 19625
483 1 1 . 1 1 85 85 SER CB C 85 63.900 63.900 62.646 1.254 19625
484 1 1 . 1 1 85 85 SER H H 85 8.520 8.520 7.914 0.606 19625
485 1 1 . 1 1 86 86 ARG N N 86 120.920 120.920 121.141 -0.221 19625
486 1 1 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.083 -0.363 19625
487 1 1 . 1 1 86 86 ARG C C 86 179.510 179.510 177.959 1.551 19625
488 1 1 . 1 1 86 86 ARG CA C 86 59.360 59.360 57.848 1.512 19625
489 1 1 . 1 1 86 86 ARG CB C 86 33.580 33.580 29.701 3.879 19625
490 1 1 . 1 1 86 86 ARG H H 86 7.990 7.990 7.830 0.160 19625
491 1 1 . 1 1 87 87 LEU N N 87 117.290 117.290 116.075 1.215 19625
492 1 1 . 1 1 87 87 LEU HA H 87 3.910 3.910 4.037 -0.127 19625
493 1 1 . 1 1 87 87 LEU C C 87 177.080 177.080 176.508 0.572 19625
494 1 1 . 1 1 87 87 LEU CA C 87 59.100 59.100 55.396 3.704 19625
495 1 1 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.890 0.810 19625
496 1 1 . 1 1 87 87 LEU H H 87 7.400 7.400 7.718 -0.318 19625
497 1 1 . 1 1 88 88 GLY N N 88 102.420 102.420 105.021 -2.601 19625
498 1 1 . 1 1 88 88 GLY C C 88 169.840 169.840 173.869 -4.029 19625
499 1 1 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.347 1.853 19625
500 1 1 . 1 1 88 88 GLY H H 88 7.430 7.430 7.363 0.067 19625
501 1 1 . 1 1 89 89 ARG N N 89 115.910 115.910 120.229 -4.319 19625
502 1 1 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.214 -0.174 19625
503 1 1 . 1 1 89 89 ARG C C 89 177.540 177.540 176.526 1.014 19625
504 1 1 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.381 -0.381 19625
505 1 1 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.333 2.277 19625
506 1 1 . 1 1 89 89 ARG H H 89 7.160 7.160 8.630 -1.470 19625
507 1 1 . 1 1 90 90 ASN N N 90 117.420 117.420 119.719 -2.299 19625
508 1 1 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.634 -0.014 19625
509 1 1 . 1 1 90 90 ASN C C 90 175.420 175.420 175.542 -0.122 19625
510 1 1 . 1 1 90 90 ASN CA C 90 53.350 53.350 52.664 0.686 19625
511 1 1 . 1 1 90 90 ASN CB C 90 39.460 39.460 36.817 2.643 19625
512 1 1 . 1 1 90 90 ASN H H 90 7.930 7.930 7.963 -0.033 19625
513 1 1 . 1 1 91 91 TYR N N 91 126.420 126.420 124.332 2.088 19625
514 1 1 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.148 -0.158 19625
515 1 1 . 1 1 91 91 TYR C C 91 177.470 177.470 176.901 0.569 19625
516 1 1 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.659 0.311 19625
517 1 1 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.553 -0.263 19625
518 1 1 . 1 1 91 91 TYR H H 91 8.590 8.590 8.509 0.081 19625
519 1 1 . 1 1 92 92 LEU N N 92 121.090 121.090 119.648 1.442 19625
520 1 1 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.927 -0.087 19625
521 1 1 . 1 1 92 92 LEU C C 92 179.580 179.580 178.756 0.824 19625
522 1 1 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.520 -0.020 19625
523 1 1 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.262 0.938 19625
524 1 1 . 1 1 92 92 LEU H H 92 7.860 7.860 8.124 -0.264 19625
525 1 1 . 1 1 93 93 GLN N N 93 117.490 117.490 118.295 -0.805 19625
526 1 1 . 1 1 93 93 GLN HA H 93 3.940 3.940 4.039 -0.099 19625
527 1 1 . 1 1 93 93 GLN C C 93 178.630 178.630 178.881 -0.251 19625
528 1 1 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.501 0.299 19625
529 1 1 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.431 1.669 19625
530 1 1 . 1 1 93 93 GLN H H 93 7.350 7.350 7.762 -0.412 19625
531 1 1 . 1 1 94 94 VAL N N 94 118.580 118.580 119.234 -0.654 19625
532 1 1 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.034 -0.514 19625
533 1 1 . 1 1 94 94 VAL C C 94 177.420 177.420 177.925 -0.505 19625
534 1 1 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.676 0.824 19625
535 1 1 . 1 1 94 94 VAL CB C 94 32.800 32.800 30.930 1.870 19625
536 1 1 . 1 1 94 94 VAL H H 94 8.230 8.230 8.426 -0.196 19625
537 1 1 . 1 1 95 95 GLY N N 95 106.450 106.450 107.500 -1.050 19625
538 1 1 . 1 1 95 95 GLY C C 95 174.810 174.810 175.436 -0.626 19625
539 1 1 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.724 0.076 19625
540 1 1 . 1 1 95 95 GLY H H 95 7.760 7.760 7.635 0.125 19625
541 1 1 . 1 1 96 96 PHE N N 96 120.590 120.590 123.204 -2.614 19625
542 1 1 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.875 -0.085 19625
543 1 1 . 1 1 96 96 PHE C C 96 176.780 176.780 176.535 0.245 19625
544 1 1 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.781 1.319 19625
545 1 1 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.661 0.639 19625
546 1 1 . 1 1 96 96 PHE H H 96 7.000 7.000 7.793 -0.793 19625
547 1 1 . 1 1 97 97 TYR N N 97 116.700 116.700 117.327 -0.627 19625
548 1 1 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.791 -0.861 19625
549 1 1 . 1 1 97 97 TYR C C 97 175.500 175.500 177.458 -1.958 19625
550 1 1 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.044 0.656 19625
551 1 1 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.935 -0.135 19625
552 1 1 . 1 1 97 97 TYR H H 97 7.030 7.030 7.854 -0.824 19625
553 1 1 . 1 1 98 98 THR N N 98 104.710 104.710 109.508 -4.798 19625
554 1 1 . 1 1 98 98 THR HA H 98 3.390 3.390 3.469 -0.079 19625
555 1 1 . 1 1 98 98 THR C C 98 176.830 176.830 176.051 0.779 19625
556 1 1 . 1 1 98 98 THR CA C 98 65.200 65.200 64.871 0.329 19625
557 1 1 . 1 1 98 98 THR CB C 98 68.800 68.800 68.795 0.005 19625
558 1 1 . 1 1 98 98 THR H H 98 7.540 7.540 7.487 0.053 19625
559 1 1 . 1 1 99 99 GLU N N 99 116.670 116.670 119.288 -2.618 19625
560 1 1 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.252 -0.042 19625
561 1 1 . 1 1 99 99 GLU C C 99 176.820 176.820 177.314 -0.494 19625
562 1 1 . 1 1 99 99 GLU CA C 99 57.200 57.200 58.096 -0.896 19625
563 1 1 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.060 0.640 19625
564 1 1 . 1 1 99 99 GLU H H 99 8.390 8.390 8.182 0.208 19625
565 1 1 . 1 1 100 100 VAL N N 100 117.330 117.330 118.235 -0.905 19625
566 1 1 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.984 -0.164 19625
567 1 1 . 1 1 100 100 VAL C C 100 176.200 176.200 176.389 -0.189 19625
568 1 1 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.108 1.892 19625
569 1 1 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.745 -0.045 19625
570 1 1 . 1 1 100 100 VAL H H 100 6.590 6.590 7.553 -0.963 19625
571 1 1 . 1 1 101 101 LEU N N 101 120.390 120.390 120.902 -0.512 19625
572 1 1 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.989 -0.369 19625
573 1 1 . 1 1 101 101 LEU C C 101 177.510 177.510 179.482 -1.972 19625
574 1 1 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.945 1.755 19625
575 1 1 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.462 1.648 19625
576 1 1 . 1 1 101 101 LEU H H 101 7.180 7.180 7.627 -0.447 19625
577 1 1 . 1 1 102 102 PHE N N 102 114.030 114.030 117.248 -3.218 19625
578 1 1 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.575 -0.225 19625
579 1 1 . 1 1 102 102 PHE CA C 102 59.610 59.610 59.403 0.207 19625
580 1 1 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.242 -1.472 19625
581 1 1 . 1 1 102 102 PHE H H 102 8.660 8.660 9.111 -0.451 19625
582 1 1 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.106 0.124 19625
583 1 1 . 1 1 103 103 PRO C C 103 180.710 180.710 178.978 1.732 19625
584 1 1 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.194 0.606 19625
585 1 1 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.110 0.549 19625
586 1 1 . 1 1 104 104 GLN N N 104 117.110 117.110 117.152 -0.042 19625
587 1 1 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.027 -0.147 19625
588 1 1 . 1 1 104 104 GLN C C 104 177.700 177.700 177.333 0.367 19625
589 1 1 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.320 1.380 19625
590 1 1 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.352 1.048 19625
591 1 1 . 1 1 104 104 GLN H H 104 7.290 7.290 8.052 -0.762 19625
592 1 1 . 1 1 105 105 LYS N N 105 115.380 115.380 114.644 0.736 19625
593 1 1 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.498 -0.178 19625
594 1 1 . 1 1 105 105 LYS C C 105 174.880 174.880 175.519 -0.639 19625
595 1 1 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.862 -1.062 19625
596 1 1 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.911 -1.211 19625
597 1 1 . 1 1 105 105 LYS H H 105 7.650 7.650 7.963 -0.313 19625
598 1 1 . 1 1 106 106 ASN N N 106 116.100 116.100 117.865 -1.765 19625
599 1 1 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.335 -0.196 19625
600 1 1 . 1 1 106 106 ASN C C 106 173.400 173.400 173.636 -0.236 19625
601 1 1 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.950 1.250 19625
602 1 1 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.228 -0.428 19625
603 1 1 . 1 1 106 106 ASN H H 106 7.730 7.730 8.031 -0.301 19625
604 1 1 . 1 1 107 107 VAL N N 107 119.060 119.060 120.627 -1.567 19625
605 1 1 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.352 -0.622 19625
606 1 1 . 1 1 107 107 VAL C C 107 175.280 175.280 175.462 -0.182 19625
607 1 1 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.468 1.632 19625
608 1 1 . 1 1 107 107 VAL CB C 107 34.200 34.200 33.668 0.532 19625
609 1 1 . 1 1 107 107 VAL H H 107 7.970 7.970 8.319 -0.349 19625
610 1 1 . 1 1 108 108 ARG N N 108 129.920 129.920 127.849 2.071 19625
611 1 1 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.680 -0.510 19625
612 1 1 . 1 1 108 108 ARG C C 108 173.020 173.020 174.639 -1.619 19625
613 1 1 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.019 2.671 19625
614 1 1 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.567 0.533 19625
615 1 1 . 1 1 108 108 ARG H H 108 8.230 8.230 8.268 -0.038 19625
616 1 1 . 1 1 109 109 PHE N N 109 129.390 129.390 125.803 3.587 19625
617 1 1 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.883 0.227 19625
618 1 1 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.537 -1.407 19625
619 1 1 . 1 1 109 109 PHE CB C 109 42.890 42.890 40.566 2.324 19625
620 1 1 . 1 1 109 109 PHE H H 109 8.550 8.550 8.853 -0.303 19625
621 1 1 . 1 1 110 110 LEU N N 110 130.220 130.220 127.165 3.055 19625
622 1 1 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.833 -0.743 19625
623 1 1 . 1 1 110 110 LEU C C 110 172.360 172.360 173.921 -1.561 19625
624 1 1 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.625 0.985 19625
625 1 1 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.578 1.122 19625
626 1 1 . 1 1 110 110 LEU H H 110 8.290 8.290 8.871 -0.581 19625
627 1 1 . 1 1 111 111 ALA N N 111 123.890 123.890 129.939 -6.049 19625
628 1 1 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.951 -0.371 19625
629 1 1 . 1 1 111 111 ALA C C 111 177.470 177.470 177.793 -0.323 19625
630 1 1 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.899 -1.099 19625
631 1 1 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.909 0.091 19625
632 1 1 . 1 1 111 111 ALA H H 111 7.590 7.590 8.576 -0.986 19625
633 1 1 . 1 1 112 112 ILE N N 112 121.690 121.690 124.994 -3.304 19625
634 1 1 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.700 -0.560 19625
635 1 1 . 1 1 112 112 ILE C C 112 177.350 177.350 177.174 0.176 19625
636 1 1 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.621 1.679 19625
637 1 1 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.464 0.576 19625
638 1 1 . 1 1 112 112 ILE H H 112 7.700 7.700 8.441 -0.741 19625
639 1 1 . 1 1 113 113 ASN N N 113 116.220 116.220 117.588 -1.368 19625
640 1 1 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.838 -0.098 19625
641 1 1 . 1 1 113 113 ASN C C 113 175.110 175.110 173.920 1.190 19625
642 1 1 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.290 0.320 19625
643 1 1 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.475 1.185 19625
644 1 1 . 1 1 113 113 ASN H H 113 8.350 8.350 8.454 -0.104 19625
645 1 1 . 1 1 114 114 ASN N N 114 118.560 118.560 117.056 1.504 19625
646 1 1 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.708 -0.108 19625
647 1 1 . 1 1 114 114 ASN C C 114 174.870 174.870 173.521 1.349 19625
648 1 1 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.254 1.086 19625
649 1 1 . 1 1 114 114 ASN CB C 114 40.600 40.600 41.342 -0.742 19625
650 1 1 . 1 1 114 114 ASN H H 114 8.110 8.110 7.573 0.537 19625
651 1 1 . 1 1 115 115 SER N N 115 114.600 114.600 117.214 -2.614 19625
652 1 1 . 1 1 115 115 SER HA H 115 4.320 4.320 4.492 -0.172 19625
653 1 1 . 1 1 115 115 SER C C 115 174.120 174.120 174.925 -0.805 19625
654 1 1 . 1 1 115 115 SER CA C 115 59.260 59.260 59.327 -0.067 19625
655 1 1 . 1 1 115 115 SER CB C 115 64.200 64.200 63.120 1.080 19625
656 1 1 . 1 1 115 115 SER H H 115 8.010 8.010 8.697 -0.687 19625
657 1 1 . 1 1 116 116 ILE N N 116 121.020 121.020 126.896 -5.876 19625
658 1 1 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.976 0.044 19625
659 1 1 . 1 1 116 116 ILE C C 116 175.590 175.590 176.188 -0.598 19625
660 1 1 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.152 -0.962 19625
661 1 1 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.351 1.549 19625
662 1 1 . 1 1 116 116 ILE H H 116 7.920 7.920 8.537 -0.617 19625
663 1 1 . 1 1 117 117 ASP N N 117 124.190 124.190 117.368 6.822 19625
664 1 1 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.852 -0.262 19625
665 1 1 . 1 1 117 117 ASP C C 117 174.870 174.870 175.112 -0.242 19625
666 1 1 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.716 1.064 19625
667 1 1 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.180 1.310 19625
668 1 1 . 1 1 117 117 ASP H H 117 8.160 8.160 8.178 -0.018 19625
669 1 1 . 1 1 118 118 SER N N 118 116.920 116.920 115.569 1.351 19625
670 1 1 . 1 1 118 118 SER HA H 118 4.250 4.250 4.770 -0.520 19625
671 1 1 . 1 1 118 118 SER C C 118 174.260 174.260 174.829 -0.569 19625
672 1 1 . 1 1 118 118 SER CA C 118 59.770 59.770 58.004 1.766 19625
673 1 1 . 1 1 118 118 SER CB C 118 64.500 64.500 64.306 0.194 19625
674 1 1 . 1 1 118 118 SER H H 118 8.220 8.220 7.848 0.372 19625
675 1 1 . 1 1 119 119 ASN N N 119 120.830 120.830 118.037 2.793 19625
676 1 1 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.815 -0.235 19625
677 1 1 . 1 1 119 119 ASN C C 119 174.120 174.120 174.863 -0.743 19625
678 1 1 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.150 1.050 19625
679 1 1 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.272 0.428 19625
680 1 1 . 1 1 119 119 ASN H H 119 8.330 8.330 8.493 -0.163 19625
681 1 2 . 1 1 2 2 SER HA H 2 4.320 4.320 4.530 -0.210 19625
682 1 2 . 1 1 2 2 SER C C 2 174.400 174.400 174.521 -0.121 19625
683 1 2 . 1 1 2 2 SER CA C 2 59.200 59.200 58.335 0.865 19625
684 1 2 . 1 1 2 2 SER CB C 2 64.800 64.800 64.034 0.766 19625
685 1 2 . 1 1 3 3 ARG N N 3 123.220 123.220 121.216 2.004 19625
686 1 2 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.533 -0.303 19625
687 1 2 . 1 1 3 3 ARG C C 3 176.320 176.320 175.652 0.668 19625
688 1 2 . 1 1 3 3 ARG CA C 3 57.300 57.300 55.664 1.636 19625
689 1 2 . 1 1 3 3 ARG CB C 3 31.600 31.600 30.882 0.718 19625
690 1 2 . 1 1 3 3 ARG H H 3 8.590 8.590 8.146 0.444 19625
691 1 2 . 1 1 4 4 THR N N 4 114.540 114.540 114.349 0.191 19625
692 1 2 . 1 1 4 4 THR HA H 4 4.270 4.270 4.036 0.234 19625
693 1 2 . 1 1 4 4 THR C C 4 173.880 173.880 173.129 0.751 19625
694 1 2 . 1 1 4 4 THR CA C 4 62.200 62.200 62.411 -0.211 19625
695 1 2 . 1 1 4 4 THR CB C 4 70.700 70.700 69.062 1.638 19625
696 1 2 . 1 1 4 4 THR H H 4 8.090 8.090 8.331 -0.241 19625
697 1 2 . 1 1 5 5 SER N N 5 117.410 117.410 118.131 -0.721 19625
698 1 2 . 1 1 5 5 SER HA H 5 4.320 4.320 4.162 0.158 19625
699 1 2 . 1 1 5 5 SER C C 5 174.020 174.020 174.161 -0.141 19625
700 1 2 . 1 1 5 5 SER CA C 5 58.900 58.900 59.586 -0.686 19625
701 1 2 . 1 1 5 5 SER CB C 5 64.700 64.700 63.651 1.049 19625
702 1 2 . 1 1 5 5 SER H H 5 8.100 8.100 8.685 -0.585 19625
703 1 2 . 1 1 6 6 ARG N N 6 122.330 122.330 122.563 -0.233 19625
704 1 2 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.578 -0.288 19625
705 1 2 . 1 1 6 6 ARG C C 6 176.850 176.850 175.359 1.491 19625
706 1 2 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.282 2.118 19625
707 1 2 . 1 1 6 6 ARG CB C 6 33.400 33.400 31.838 1.562 19625
708 1 2 . 1 1 6 6 ARG H H 6 8.100 8.100 8.330 -0.230 19625
709 1 2 . 1 1 7 7 ILE N N 7 115.270 115.270 115.052 0.218 19625
710 1 2 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.423 0.147 19625
711 1 2 . 1 1 7 7 ILE C C 7 177.060 177.060 173.676 3.384 19625
712 1 2 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.471 1.759 19625
713 1 2 . 1 1 7 7 ILE CB C 7 42.180 42.180 42.030 0.150 19625
714 1 2 . 1 1 7 7 ILE H H 7 8.550 8.550 8.167 0.383 19625
715 1 2 . 1 1 8 8 THR N N 8 120.840 120.840 119.333 1.507 19625
716 1 2 . 1 1 8 8 THR HA H 8 4.420 4.420 4.468 -0.048 19625
717 1 2 . 1 1 8 8 THR C C 8 172.530 172.530 173.071 -0.541 19625
718 1 2 . 1 1 8 8 THR CA C 8 63.100 63.100 62.018 1.082 19625
719 1 2 . 1 1 8 8 THR CB C 8 69.000 69.000 70.565 -1.565 19625
720 1 2 . 1 1 8 8 THR H H 8 8.030 8.030 8.049 -0.019 19625
721 1 2 . 1 1 9 9 ALA N N 9 129.200 129.200 130.067 -0.867 19625
722 1 2 . 1 1 9 9 ALA HA H 9 4.780 4.780 4.992 -0.212 19625
723 1 2 . 1 1 9 9 ALA C C 9 173.980 173.980 174.819 -0.839 19625
724 1 2 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.549 0.751 19625
725 1 2 . 1 1 9 9 ALA CB C 9 23.400 23.400 20.658 2.742 19625
726 1 2 . 1 1 9 9 ALA H H 9 9.210 9.210 9.252 -0.042 19625
727 1 2 . 1 1 10 10 LEU N N 10 124.830 124.830 128.684 -3.854 19625
728 1 2 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.195 -0.365 19625
729 1 2 . 1 1 10 10 LEU C C 10 174.400 174.400 174.649 -0.249 19625
730 1 2 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.545 0.255 19625
731 1 2 . 1 1 10 10 LEU CB C 10 41.500 41.500 43.773 -2.273 19625
732 1 2 . 1 1 10 10 LEU H H 10 8.720 8.720 9.093 -0.373 19625
733 1 2 . 1 1 11 11 TYR N N 11 122.470 122.470 128.748 -6.278 19625
734 1 2 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.542 0.288 19625
735 1 2 . 1 1 11 11 TYR C C 11 174.120 174.120 173.412 0.708 19625
736 1 2 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.928 1.172 19625
737 1 2 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.884 -0.384 19625
738 1 2 . 1 1 11 11 TYR H H 11 8.000 8.000 8.704 -0.704 19625
739 1 2 . 1 1 12 12 GLU N N 12 121.360 121.360 125.865 -4.505 19625
740 1 2 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.392 -0.192 19625
741 1 2 . 1 1 12 12 GLU C C 12 172.720 172.720 174.213 -1.493 19625
742 1 2 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.565 1.135 19625
743 1 2 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.001 -2.600 19625
744 1 2 . 1 1 12 12 GLU H H 12 7.870 7.870 8.337 -0.467 19625
745 1 2 . 1 1 13 13 ARG N N 13 118.180 118.180 117.896 0.284 19625
746 1 2 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.781 0.089 19625
747 1 2 . 1 1 13 13 ARG C C 13 174.680 174.680 173.511 1.169 19625
748 1 2 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.093 0.707 19625
749 1 2 . 1 1 13 13 ARG CB C 13 35.360 35.360 34.283 1.077 19625
750 1 2 . 1 1 13 13 ARG H H 13 7.290 7.290 8.141 -0.851 19625
751 1 2 . 1 1 14 14 LEU N N 14 131.070 131.070 122.393 8.677 19625
752 1 2 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.625 -0.235 19625
753 1 2 . 1 1 14 14 LEU C C 14 172.930 172.930 174.307 -1.377 19625
754 1 2 . 1 1 14 14 LEU CA C 14 56.400 56.400 55.109 1.291 19625
755 1 2 . 1 1 14 14 LEU CB C 14 47.800 47.800 45.145 2.655 19625
756 1 2 . 1 1 14 14 LEU H H 14 8.010 8.010 8.506 -0.496 19625
757 1 2 . 1 1 15 15 SER N N 15 118.940 118.940 118.935 0.005 19625
758 1 2 . 1 1 15 15 SER HA H 15 4.520 4.520 4.682 -0.162 19625
759 1 2 . 1 1 15 15 SER C C 15 175.380 175.380 174.683 0.697 19625
760 1 2 . 1 1 15 15 SER CA C 15 58.300 58.300 57.263 1.037 19625
761 1 2 . 1 1 15 15 SER CB C 15 65.300 65.300 64.808 0.492 19625
762 1 2 . 1 1 15 15 SER H H 15 8.580 8.580 8.477 0.103 19625
763 1 2 . 1 1 16 16 ARG N N 16 123.190 123.190 125.640 -2.450 19625
764 1 2 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.201 -0.241 19625
765 1 2 . 1 1 16 16 ARG C C 16 177.410 177.410 175.971 1.439 19625
766 1 2 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.735 1.765 19625
767 1 2 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.438 -0.038 19625
768 1 2 . 1 1 16 16 ARG H H 16 8.980 8.980 8.759 0.221 19625
769 1 2 . 1 1 17 17 ASP N N 17 115.110 115.110 116.010 -0.900 19625
770 1 2 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.569 -0.269 19625
771 1 2 . 1 1 17 17 ASP C C 17 176.090 176.090 176.430 -0.340 19625
772 1 2 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.194 0.406 19625
773 1 2 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.084 0.016 19625
774 1 2 . 1 1 17 17 ASP H H 17 8.160 8.160 8.030 0.130 19625
775 1 2 . 1 1 18 18 ASP N N 18 119.390 119.390 120.784 -1.394 19625
776 1 2 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.530 -0.230 19625
777 1 2 . 1 1 18 18 ASP C C 18 175.750 175.750 176.232 -0.482 19625
778 1 2 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.432 1.867 19625
779 1 2 . 1 1 18 18 ASP CB C 18 42.740 42.740 41.529 1.212 19625
780 1 2 . 1 1 18 18 ASP H H 18 7.240 7.240 7.645 -0.405 19625
781 1 2 . 1 1 19 19 ASP N N 19 117.850 117.850 119.399 -1.549 19625
782 1 2 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.481 -0.251 19625
783 1 2 . 1 1 19 19 ASP C C 19 175.300 175.300 175.959 -0.659 19625
784 1 2 . 1 1 19 19 ASP CA C 19 56.030 56.030 55.230 0.800 19625
785 1 2 . 1 1 19 19 ASP CB C 19 41.060 41.060 41.151 -0.091 19625
786 1 2 . 1 1 19 19 ASP H H 19 8.000 8.000 8.625 -0.625 19625
787 1 2 . 1 1 20 20 LEU N N 20 120.230 120.230 116.544 3.686 19625
788 1 2 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.416 -0.036 19625
789 1 2 . 1 1 20 20 LEU C C 20 176.830 176.830 175.735 1.095 19625
790 1 2 . 1 1 20 20 LEU CA C 20 55.100 55.100 54.547 0.553 19625
791 1 2 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.500 0.980 19625
792 1 2 . 1 1 20 20 LEU H H 20 7.960 7.960 7.472 0.488 19625
793 1 2 . 1 1 21 21 THR N N 21 113.040 113.040 111.917 1.123 19625
794 1 2 . 1 1 21 21 THR HA H 21 4.290 4.290 4.499 -0.209 19625
795 1 2 . 1 1 21 21 THR C C 21 174.900 174.900 173.545 1.355 19625
796 1 2 . 1 1 21 21 THR CA C 21 61.970 61.970 61.125 0.845 19625
797 1 2 . 1 1 21 21 THR CB C 21 71.200 71.200 70.642 0.558 19625
798 1 2 . 1 1 21 21 THR H H 21 8.070 8.070 7.726 0.344 19625
799 1 2 . 1 1 22 22 GLY N N 22 110.100 110.100 114.021 -3.921 19625
800 1 2 . 1 1 22 22 GLY C C 22 175.110 175.110 173.224 1.886 19625
801 1 2 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.831 0.139 19625
802 1 2 . 1 1 22 22 GLY H H 22 8.230 8.230 7.809 0.421 19625
803 1 2 . 1 1 23 23 GLU N N 23 121.940 121.940 119.664 2.276 19625
804 1 2 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.141 -0.141 19625
805 1 2 . 1 1 23 23 GLU C C 23 178.200 178.200 177.284 0.916 19625
806 1 2 . 1 1 23 23 GLU CA C 23 58.900 58.900 58.866 0.034 19625
807 1 2 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.767 0.833 19625
808 1 2 . 1 1 23 23 GLU H H 23 8.550 8.550 8.657 -0.107 19625
809 1 2 . 1 1 24 24 SER N N 24 114.930 114.930 112.019 2.911 19625
810 1 2 . 1 1 24 24 SER HA H 24 3.990 3.990 4.310 -0.320 19625
811 1 2 . 1 1 24 24 SER C C 24 174.000 174.000 173.753 0.247 19625
812 1 2 . 1 1 24 24 SER CA C 24 61.610 61.610 59.079 2.531 19625
813 1 2 . 1 1 24 24 SER CB C 24 63.600 63.600 63.169 0.431 19625
814 1 2 . 1 1 24 24 SER H H 24 8.290 8.290 8.065 0.225 19625
815 1 2 . 1 1 25 25 ASN N N 25 117.820 117.820 117.816 0.004 19625
816 1 2 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.931 -0.201 19625
817 1 2 . 1 1 25 25 ASN C C 25 174.380 174.380 173.842 0.538 19625
818 1 2 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.994 0.106 19625
819 1 2 . 1 1 25 25 ASN CB C 25 40.800 40.800 40.582 0.218 19625
820 1 2 . 1 1 25 25 ASN H H 25 7.620 7.620 7.712 -0.092 19625
821 1 2 . 1 1 26 26 SER N N 26 115.050 115.050 115.829 -0.779 19625
822 1 2 . 1 1 26 26 SER HA H 26 4.140 4.140 4.511 -0.371 19625
823 1 2 . 1 1 26 26 SER C C 26 174.660 174.660 173.852 0.808 19625
824 1 2 . 1 1 26 26 SER CA C 26 58.500 58.500 58.028 0.472 19625
825 1 2 . 1 1 26 26 SER CB C 26 65.000 65.000 64.220 0.780 19625
826 1 2 . 1 1 26 26 SER H H 26 7.510 7.510 8.262 -0.752 19625
827 1 2 . 1 1 27 27 ILE N N 27 124.200 124.200 119.089 5.111 19625
828 1 2 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.515 -0.055 19625
829 1 2 . 1 1 27 27 ILE C C 27 177.540 177.540 177.674 -0.134 19625
830 1 2 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.031 -0.591 19625
831 1 2 . 1 1 27 27 ILE CB C 27 36.400 36.400 35.875 0.525 19625
832 1 2 . 1 1 27 27 ILE H H 27 8.960 8.960 8.139 0.821 19625
833 1 2 . 1 1 28 28 THR N N 28 114.810 114.810 116.536 -1.726 19625
834 1 2 . 1 1 28 28 THR HA H 28 3.510 3.510 3.995 -0.485 19625
835 1 2 . 1 1 28 28 THR C C 28 176.210 176.210 176.262 -0.052 19625
836 1 2 . 1 1 28 28 THR CA C 28 67.300 67.300 66.868 0.432 19625
837 1 2 . 1 1 28 28 THR CB C 28 69.240 69.240 68.641 0.599 19625
838 1 2 . 1 1 28 28 THR H H 28 8.030 8.030 8.229 -0.199 19625
839 1 2 . 1 1 29 29 ASN N N 29 120.670 120.670 117.961 2.709 19625
840 1 2 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.396 0.004 19625
841 1 2 . 1 1 29 29 ASN C C 29 175.110 175.110 176.984 -1.874 19625
842 1 2 . 1 1 29 29 ASN CA C 29 57.100 57.100 57.142 -0.042 19625
843 1 2 . 1 1 29 29 ASN CB C 29 38.700 38.700 37.903 0.797 19625
844 1 2 . 1 1 29 29 ASN H H 29 7.640 7.640 7.580 0.060 19625
845 1 2 . 1 1 30 30 GLN N N 30 122.180 122.180 120.251 1.929 19625
846 1 2 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.054 -0.204 19625
847 1 2 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.845 2.665 19625
848 1 2 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.821 4.239 19625
849 1 2 . 1 1 30 30 GLN H H 30 8.620 8.620 8.484 0.136 19625
850 1 2 . 1 1 31 31 LYS N N 31 116.860 116.860 120.138 -3.278 19625
851 1 2 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.090 -0.260 19625
852 1 2 . 1 1 31 31 LYS C C 31 178.370 178.370 179.475 -1.105 19625
853 1 2 . 1 1 31 31 LYS CA C 31 61.300 61.300 60.114 1.186 19625
854 1 2 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.166 1.414 19625
855 1 2 . 1 1 31 31 LYS H H 31 8.230 8.230 8.079 0.151 19625
856 1 2 . 1 1 32 32 LYS N N 32 117.720 117.720 119.489 -1.769 19625
857 1 2 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.292 -0.442 19625
858 1 2 . 1 1 32 32 LYS C C 32 177.840 177.840 179.207 -1.367 19625
859 1 2 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.695 0.505 19625
860 1 2 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.249 1.251 19625
861 1 2 . 1 1 32 32 LYS H H 32 7.470 7.470 7.851 -0.381 19625
862 1 2 . 1 1 33 33 TYR N N 33 120.230 120.230 121.246 -1.016 19625
863 1 2 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.132 0.008 19625
864 1 2 . 1 1 33 33 TYR C C 33 178.990 178.990 177.763 1.227 19625
865 1 2 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.133 -0.232 19625
866 1 2 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.448 1.802 19625
867 1 2 . 1 1 33 33 TYR H H 33 8.210 8.210 7.759 0.451 19625
868 1 2 . 1 1 34 34 LEU N N 34 117.680 117.680 118.040 -0.360 19625
869 1 2 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.978 -0.198 19625
870 1 2 . 1 1 34 34 LEU C C 34 178.370 178.370 179.270 -0.900 19625
871 1 2 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.236 1.764 19625
872 1 2 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.723 2.277 19625
873 1 2 . 1 1 34 34 LEU H H 34 8.270 8.270 7.997 0.273 19625
874 1 2 . 1 1 35 35 GLU N N 35 120.040 120.040 120.759 -0.719 19625
875 1 2 . 1 1 35 35 GLU HA H 35 3.600 3.600 4.070 -0.470 19625
876 1 2 . 1 1 35 35 GLU C C 35 178.480 178.480 178.998 -0.518 19625
877 1 2 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.072 1.428 19625
878 1 2 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.596 0.804 19625
879 1 2 . 1 1 35 35 GLU H H 35 8.490 8.490 8.350 0.140 19625
880 1 2 . 1 1 36 36 ASP N N 36 119.540 119.540 119.209 0.331 19625
881 1 2 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.358 -0.158 19625
882 1 2 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.519 0.881 19625
883 1 2 . 1 1 36 36 ASP CB C 36 41.400 41.400 41.019 0.382 19625
884 1 2 . 1 1 36 36 ASP H H 36 8.410 8.410 8.339 0.071 19625
885 1 2 . 1 1 37 37 TYR N N 37 120.120 120.120 121.098 -0.978 19625
886 1 2 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.135 -0.555 19625
887 1 2 . 1 1 37 37 TYR C C 37 178.270 178.270 176.829 1.441 19625
888 1 2 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.381 1.619 19625
889 1 2 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.543 1.117 19625
890 1 2 . 1 1 37 37 TYR H H 37 7.560 7.560 7.614 -0.054 19625
891 1 2 . 1 1 38 38 ALA N N 38 122.290 122.290 121.264 1.026 19625
892 1 2 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.274 -0.354 19625
893 1 2 . 1 1 38 38 ALA C C 38 178.770 178.770 179.545 -0.775 19625
894 1 2 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.576 0.524 19625
895 1 2 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.347 0.553 19625
896 1 2 . 1 1 38 38 ALA H H 38 8.740 8.740 9.098 -0.358 19625
897 1 2 . 1 1 39 39 ARG N N 39 117.070 117.070 116.769 0.301 19625
898 1 2 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.089 -0.149 19625
899 1 2 . 1 1 39 39 ARG C C 39 180.550 180.550 178.337 2.213 19625
900 1 2 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.116 2.084 19625
901 1 2 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.033 0.567 19625
902 1 2 . 1 1 39 39 ARG H H 39 8.390 8.390 8.093 0.297 19625
903 1 2 . 1 1 40 40 ARG N N 40 118.990 118.990 119.031 -0.041 19625
904 1 2 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.028 -0.178 19625
905 1 2 . 1 1 40 40 ARG C C 40 177.010 177.010 177.865 -0.855 19625
906 1 2 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.273 1.228 19625
907 1 2 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.514 1.186 19625
908 1 2 . 1 1 40 40 ARG H H 40 8.030 8.030 7.712 0.318 19625
909 1 2 . 1 1 41 41 ASN N N 41 113.570 113.570 115.479 -1.909 19625
910 1 2 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.400 -0.080 19625
911 1 2 . 1 1 41 41 ASN C C 41 173.550 173.550 175.076 -1.526 19625
912 1 2 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.656 0.744 19625
913 1 2 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.607 1.093 19625
914 1 2 . 1 1 41 41 ASN H H 41 7.020 7.020 8.019 -0.999 19625
915 1 2 . 1 1 42 42 GLY N N 42 106.670 106.670 107.839 -1.169 19625
916 1 2 . 1 1 42 42 GLY C C 42 174.120 174.120 173.571 0.549 19625
917 1 2 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.776 2.525 19625
918 1 2 . 1 1 42 42 GLY H H 42 7.230 7.230 7.448 -0.218 19625
919 1 2 . 1 1 43 43 PHE N N 43 119.360 119.360 119.688 -0.328 19625
920 1 2 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.661 -0.321 19625
921 1 2 . 1 1 43 43 PHE C C 43 174.900 174.900 175.494 -0.594 19625
922 1 2 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.910 2.090 19625
923 1 2 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.270 -0.770 19625
924 1 2 . 1 1 43 43 PHE H H 43 7.870 7.870 8.317 -0.447 19625
925 1 2 . 1 1 44 44 GLU N N 44 119.760 119.760 121.757 -1.997 19625
926 1 2 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.514 -0.144 19625
927 1 2 . 1 1 44 44 GLU C C 44 175.870 175.870 176.294 -0.424 19625
928 1 2 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.491 1.019 19625
929 1 2 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.445 2.255 19625
930 1 2 . 1 1 44 44 GLU H H 44 8.510 8.510 8.773 -0.263 19625
931 1 2 . 1 1 45 45 ASN N N 45 118.280 118.280 115.644 2.636 19625
932 1 2 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.360 -0.200 19625
933 1 2 . 1 1 45 45 ASN C C 45 174.730 174.730 174.663 0.067 19625
934 1 2 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.333 -0.133 19625
935 1 2 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.623 1.077 19625
936 1 2 . 1 1 45 45 ASN H H 45 8.710 8.710 8.828 -0.118 19625
937 1 2 . 1 1 46 46 ILE N N 46 117.440 117.440 119.182 -1.742 19625
938 1 2 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.968 0.412 19625
939 1 2 . 1 1 46 46 ILE C C 46 177.370 177.370 175.596 1.774 19625
940 1 2 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.387 -0.087 19625
941 1 2 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.253 3.647 19625
942 1 2 . 1 1 46 46 ILE H H 46 7.840 7.840 8.198 -0.358 19625
943 1 2 . 1 1 47 47 ARG N N 47 126.600 126.600 128.306 -1.706 19625
944 1 2 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.377 -0.127 19625
945 1 2 . 1 1 47 47 ARG C C 47 173.900 173.900 174.680 -0.780 19625
946 1 2 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.356 1.544 19625
947 1 2 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.713 3.387 19625
948 1 2 . 1 1 47 47 ARG H H 47 8.440 8.440 8.328 0.112 19625
949 1 2 . 1 1 48 48 HIS N N 48 122.600 122.600 123.670 -1.070 19625
950 1 2 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.860 0.320 19625
951 1 2 . 1 1 48 48 HIS C C 48 175.370 175.370 174.822 0.548 19625
952 1 2 . 1 1 48 48 HIS CA C 48 57.500 57.500 54.962 2.538 19625
953 1 2 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.344 2.156 19625
954 1 2 . 1 1 48 48 HIS H H 48 8.530 8.530 8.622 -0.092 19625
955 1 2 . 1 1 49 49 PHE N N 49 124.090 124.090 127.113 -3.023 19625
956 1 2 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.788 -0.308 19625
957 1 2 . 1 1 49 49 PHE C C 49 173.760 173.760 174.939 -1.179 19625
958 1 2 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.343 2.058 19625
959 1 2 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.701 3.799 19625
960 1 2 . 1 1 49 49 PHE H H 49 9.340 9.340 9.582 -0.242 19625
961 1 2 . 1 1 50 50 THR N N 50 117.900 117.900 118.080 -0.180 19625
962 1 2 . 1 1 50 50 THR HA H 50 4.720 4.720 4.744 -0.024 19625
963 1 2 . 1 1 50 50 THR C C 50 172.640 172.640 174.042 -1.402 19625
964 1 2 . 1 1 50 50 THR CA C 50 63.200 63.200 61.180 2.020 19625
965 1 2 . 1 1 50 50 THR CB C 50 72.300 72.300 70.637 1.663 19625
966 1 2 . 1 1 50 50 THR H H 50 8.530 8.530 8.372 0.158 19625
967 1 2 . 1 1 51 51 ASP N N 51 127.240 127.240 124.097 3.143 19625
968 1 2 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.143 1.127 19625
969 1 2 . 1 1 51 51 ASP C C 51 173.530 173.530 174.136 -0.606 19625
970 1 2 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.169 2.831 19625
971 1 2 . 1 1 51 51 ASP CB C 51 44.300 44.300 42.776 1.524 19625
972 1 2 . 1 1 51 51 ASP H H 51 8.560 8.560 8.484 0.076 19625
973 1 2 . 1 1 52 52 ASP N N 52 125.700 125.700 121.780 3.920 19625
974 1 2 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.512 -0.002 19625
975 1 2 . 1 1 52 52 ASP C C 52 175.090 175.090 176.236 -1.146 19625
976 1 2 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.434 0.416 19625
977 1 2 . 1 1 52 52 ASP CB C 52 42.100 42.100 41.900 0.200 19625
978 1 2 . 1 1 52 52 ASP H H 52 9.210 9.210 7.502 1.708 19625
979 1 2 . 1 1 53 53 GLY N N 53 113.640 113.640 113.598 0.042 19625
980 1 2 . 1 1 53 53 GLY C C 53 173.950 173.950 174.534 -0.584 19625
981 1 2 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.546 1.054 19625
982 1 2 . 1 1 53 53 GLY H H 53 8.660 8.660 8.394 0.266 19625
983 1 2 . 1 1 54 54 PHE N N 54 116.490 116.490 119.853 -3.363 19625
984 1 2 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.675 -0.195 19625
985 1 2 . 1 1 54 54 PHE C C 54 174.240 174.240 176.157 -1.917 19625
986 1 2 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.007 2.193 19625
987 1 2 . 1 1 54 54 PHE CB C 54 42.900 42.900 38.787 4.113 19625
988 1 2 . 1 1 54 54 PHE H H 54 6.780 6.780 8.328 -1.548 19625
989 1 2 . 1 1 55 55 SER N N 55 118.160 118.160 118.801 -0.641 19625
990 1 2 . 1 1 55 55 SER HA H 55 4.190 4.190 4.558 -0.368 19625
991 1 2 . 1 1 55 55 SER C C 55 175.490 175.490 175.432 0.058 19625
992 1 2 . 1 1 55 55 SER CA C 55 59.000 59.000 58.273 0.727 19625
993 1 2 . 1 1 55 55 SER CB C 55 63.600 63.600 64.307 -0.707 19625
994 1 2 . 1 1 55 55 SER H H 55 8.620 8.620 8.678 -0.058 19625
995 1 2 . 1 1 56 56 GLY N N 56 113.640 113.640 109.390 4.250 19625
996 1 2 . 1 1 56 56 GLY CA C 56 45.800 45.800 44.799 1.001 19625
997 1 2 . 1 1 56 56 GLY H H 56 8.990 8.990 8.572 0.418 19625
998 1 2 . 1 1 57 57 VAL N N 57 118.020 118.020 116.673 1.347 19625
999 1 2 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.137 -0.517 19625
1000 1 2 . 1 1 57 57 VAL C C 57 173.800 173.800 175.951 -2.151 19625
1001 1 2 . 1 1 57 57 VAL CA C 57 64.550 64.550 62.737 1.813 19625
1002 1 2 . 1 1 57 57 VAL CB C 57 32.610 32.610 33.047 -0.437 19625
1003 1 2 . 1 1 57 57 VAL H H 57 8.250 8.250 7.667 0.583 19625
1004 1 2 . 1 1 58 58 ASN N N 58 112.780 112.780 116.497 -3.717 19625
1005 1 2 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.381 0.099 19625
1006 1 2 . 1 1 58 58 ASN C C 58 174.310 174.310 173.906 0.404 19625
1007 1 2 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.375 0.145 19625
1008 1 2 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.851 3.049 19625
1009 1 2 . 1 1 58 58 ASN H H 58 6.830 6.830 7.915 -1.085 19625
1010 1 2 . 1 1 59 59 PHE N N 59 118.570 118.570 119.564 -0.994 19625
1011 1 2 . 1 1 59 59 PHE HA H 59 3.940 3.940 4.019 -0.079 19625
1012 1 2 . 1 1 59 59 PHE C C 59 175.310 175.310 174.283 1.027 19625
1013 1 2 . 1 1 59 59 PHE CA C 59 59.300 59.300 56.847 2.453 19625
1014 1 2 . 1 1 59 59 PHE CB C 59 38.600 38.600 40.074 -1.474 19625
1015 1 2 . 1 1 59 59 PHE H H 59 8.950 8.950 8.287 0.663 19625
1016 1 2 . 1 1 60 60 ASN N N 60 124.690 124.690 116.379 8.311 19625
1017 1 2 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.278 0.452 19625
1018 1 2 . 1 1 60 60 ASN C C 60 172.860 172.860 172.965 -0.105 19625
1019 1 2 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.016 -0.016 19625
1020 1 2 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.816 -0.716 19625
1021 1 2 . 1 1 60 60 ASN H H 60 8.620 8.620 7.223 1.397 19625
1022 1 2 . 1 1 61 61 ARG N N 61 119.260 119.260 118.344 0.916 19625
1023 1 2 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.582 -0.182 19625
1024 1 2 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.128 -2.538 19625
1025 1 2 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.248 1.812 19625
1026 1 2 . 1 1 61 61 ARG H H 61 7.440 7.440 7.649 -0.209 19625
1027 1 2 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.355 -0.205 19625
1028 1 2 . 1 1 62 62 PRO C C 62 179.790 179.790 178.611 1.179 19625
1029 1 2 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.203 -0.003 19625
1030 1 2 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.092 0.808 19625
1031 1 2 . 1 1 63 63 GLY N N 63 117.020 117.020 107.274 9.746 19625
1032 1 2 . 1 1 63 63 GLY C C 63 176.580 176.580 176.449 0.131 19625
1033 1 2 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.506 0.194 19625
1034 1 2 . 1 1 63 63 GLY H H 63 10.740 10.740 8.795 1.945 19625
1035 1 2 . 1 1 64 64 PHE N N 64 125.390 125.390 122.684 2.706 19625
1036 1 2 . 1 1 64 64 PHE HA H 64 3.560 3.560 3.972 -0.412 19625
1037 1 2 . 1 1 64 64 PHE C C 64 176.330 176.330 176.643 -0.313 19625
1038 1 2 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.625 3.675 19625
1039 1 2 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.701 1.899 19625
1040 1 2 . 1 1 64 64 PHE H H 64 9.180 9.180 8.185 0.995 19625
1041 1 2 . 1 1 65 65 GLN N N 65 115.560 115.560 117.924 -2.364 19625
1042 1 2 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.016 -0.326 19625
1043 1 2 . 1 1 65 65 GLN C C 65 179.240 179.240 178.800 0.440 19625
1044 1 2 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.533 0.567 19625
1045 1 2 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.007 0.393 19625
1046 1 2 . 1 1 65 65 GLN H H 65 8.480 8.480 9.043 -0.563 19625
1047 1 2 . 1 1 66 66 SER N N 66 116.700 116.700 115.525 1.175 19625
1048 1 2 . 1 1 66 66 SER HA H 66 4.080 4.080 4.232 -0.152 19625
1049 1 2 . 1 1 66 66 SER C C 66 175.920 175.920 176.202 -0.282 19625
1050 1 2 . 1 1 66 66 SER CA C 66 62.930 62.930 61.492 1.438 19625
1051 1 2 . 1 1 66 66 SER CB C 66 63.880 63.880 63.176 0.704 19625
1052 1 2 . 1 1 66 66 SER H H 66 8.010 8.010 7.427 0.583 19625
1053 1 2 . 1 1 67 67 LEU N N 67 124.100 124.100 122.644 1.456 19625
1054 1 2 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.726 0.094 19625
1055 1 2 . 1 1 67 67 LEU C C 67 177.790 177.790 178.166 -0.376 19625
1056 1 2 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.025 1.375 19625
1057 1 2 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.475 0.625 19625
1058 1 2 . 1 1 67 67 LEU H H 67 7.830 7.830 7.071 0.759 19625
1059 1 2 . 1 1 68 68 ILE N N 68 118.610 118.610 119.144 -0.534 19625
1060 1 2 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.489 -0.249 19625
1061 1 2 . 1 1 68 68 ILE C C 68 177.730 177.730 177.320 0.410 19625
1062 1 2 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.617 -1.517 19625
1063 1 2 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.408 -2.308 19625
1064 1 2 . 1 1 68 68 ILE H H 68 8.030 8.030 8.268 -0.238 19625
1065 1 2 . 1 1 69 69 LYS N N 69 120.680 120.680 120.246 0.434 19625
1066 1 2 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.014 -0.114 19625
1067 1 2 . 1 1 69 69 LYS C C 69 180.050 180.050 179.134 0.916 19625
1068 1 2 . 1 1 69 69 LYS CA C 69 60.800 60.800 60.061 0.739 19625
1069 1 2 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.964 0.636 19625
1070 1 2 . 1 1 69 69 LYS H H 69 7.500 7.500 8.109 -0.609 19625
1071 1 2 . 1 1 70 70 GLU N N 70 118.700 118.700 118.445 0.255 19625
1072 1 2 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.161 -0.101 19625
1073 1 2 . 1 1 70 70 GLU C C 70 178.860 178.860 178.964 -0.104 19625
1074 1 2 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.860 0.640 19625
1075 1 2 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.187 0.513 19625
1076 1 2 . 1 1 70 70 GLU H H 70 7.300 7.300 7.696 -0.396 19625
1077 1 2 . 1 1 71 71 VAL N N 71 121.570 121.570 119.435 2.135 19625
1078 1 2 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.480 -0.000 19625
1079 1 2 . 1 1 71 71 VAL C C 71 180.380 180.380 178.230 2.150 19625
1080 1 2 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.775 -0.675 19625
1081 1 2 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.308 0.892 19625
1082 1 2 . 1 1 71 71 VAL H H 71 8.380 8.380 7.502 0.878 19625
1083 1 2 . 1 1 72 72 GLU N N 72 120.090 120.090 120.512 -0.422 19625
1084 1 2 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.052 -0.492 19625
1085 1 2 . 1 1 72 72 GLU C C 72 177.470 177.470 178.363 -0.893 19625
1086 1 2 . 1 1 72 72 GLU CA C 72 60.800 60.800 59.022 1.778 19625
1087 1 2 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.014 1.426 19625
1088 1 2 . 1 1 72 72 GLU H H 72 9.010 9.010 8.649 0.361 19625
1089 1 2 . 1 1 73 73 ALA N N 73 118.560 118.560 121.044 -2.484 19625
1090 1 2 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.301 -0.181 19625
1091 1 2 . 1 1 73 73 ALA C C 73 177.350 177.350 177.988 -0.638 19625
1092 1 2 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.102 1.298 19625
1093 1 2 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.825 1.175 19625
1094 1 2 . 1 1 73 73 ALA H H 73 7.320 7.320 7.725 -0.405 19625
1095 1 2 . 1 1 74 74 GLY N N 74 105.060 105.060 106.388 -1.328 19625
1096 1 2 . 1 1 74 74 GLY C C 74 176.280 176.280 174.473 1.807 19625
1097 1 2 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.265 1.235 19625
1098 1 2 . 1 1 74 74 GLY H H 74 7.690 7.690 7.452 0.238 19625
1099 1 2 . 1 1 75 75 ASN N N 75 115.690 115.690 117.357 -1.667 19625
1100 1 2 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.762 -0.062 19625
1101 1 2 . 1 1 75 75 ASN C C 75 174.100 174.100 175.971 -1.871 19625
1102 1 2 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.705 0.695 19625
1103 1 2 . 1 1 75 75 ASN CB C 75 40.600 40.600 39.419 1.181 19625
1104 1 2 . 1 1 75 75 ASN H H 75 7.710 7.710 8.507 -0.797 19625
1105 1 2 . 1 1 76 76 VAL N N 76 120.710 120.710 122.634 -1.924 19625
1106 1 2 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.861 0.089 19625
1107 1 2 . 1 1 76 76 VAL C C 76 173.190 173.190 175.916 -2.726 19625
1108 1 2 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.671 -0.971 19625
1109 1 2 . 1 1 76 76 VAL CB C 76 34.200 34.200 31.392 2.808 19625
1110 1 2 . 1 1 76 76 VAL H H 76 8.150 8.150 7.174 0.976 19625
1111 1 2 . 1 1 77 77 GLU N N 77 127.930 127.930 125.294 2.636 19625
1112 1 2 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.703 -0.383 19625
1113 1 2 . 1 1 77 77 GLU C C 77 175.850 175.850 175.994 -0.144 19625
1114 1 2 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.370 2.229 19625
1115 1 2 . 1 1 77 77 GLU CB C 77 32.100 32.100 31.230 0.870 19625
1116 1 2 . 1 1 77 77 GLU H H 77 9.040 9.040 9.174 -0.134 19625
1117 1 2 . 1 1 78 78 THR N N 78 115.080 115.080 114.088 0.992 19625
1118 1 2 . 1 1 78 78 THR HA H 78 5.010 5.010 4.640 0.370 19625
1119 1 2 . 1 1 78 78 THR C C 78 170.340 170.340 171.956 -1.616 19625
1120 1 2 . 1 1 78 78 THR CA C 78 61.500 61.500 61.757 -0.257 19625
1121 1 2 . 1 1 78 78 THR CB C 78 72.100 72.100 71.965 0.135 19625
1122 1 2 . 1 1 78 78 THR H H 78 7.150 7.150 7.375 -0.225 19625
1123 1 2 . 1 1 79 79 LEU N N 79 130.190 130.190 125.140 5.050 19625
1124 1 2 . 1 1 79 79 LEU HA H 79 5.110 5.110 5.024 0.086 19625
1125 1 2 . 1 1 79 79 LEU C C 79 172.640 172.640 174.140 -1.500 19625
1126 1 2 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.145 1.055 19625
1127 1 2 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.605 1.695 19625
1128 1 2 . 1 1 79 79 LEU H H 79 8.810 8.810 8.641 0.169 19625
1129 1 2 . 1 1 80 80 ILE N N 80 125.290 125.290 127.468 -2.178 19625
1130 1 2 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.103 0.787 19625
1131 1 2 . 1 1 80 80 ILE C C 80 174.260 174.260 173.927 0.333 19625
1132 1 2 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.082 0.418 19625
1133 1 2 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.559 1.040 19625
1134 1 2 . 1 1 80 80 ILE H H 80 8.760 8.760 9.254 -0.494 19625
1135 1 2 . 1 1 81 81 VAL N N 81 114.530 114.530 126.312 -11.782 19625
1136 1 2 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.803 0.107 19625
1137 1 2 . 1 1 81 81 VAL C C 81 175.310 175.310 176.169 -0.859 19625
1138 1 2 . 1 1 81 81 VAL CA C 81 59.100 59.100 60.212 -1.112 19625
1139 1 2 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.634 1.966 19625
1140 1 2 . 1 1 81 81 VAL H H 81 8.030 8.030 8.671 -0.641 19625
1141 1 2 . 1 1 82 82 LYS N N 82 122.730 122.730 123.731 -1.001 19625
1142 1 2 . 1 1 82 82 LYS HA H 82 3.650 3.650 3.998 -0.348 19625
1143 1 2 . 1 1 82 82 LYS C C 82 174.470 174.470 175.048 -0.578 19625
1144 1 2 . 1 1 82 82 LYS CA C 82 61.500 61.500 58.937 2.563 19625
1145 1 2 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.818 1.482 19625
1146 1 2 . 1 1 82 82 LYS H H 82 9.540 9.540 8.996 0.544 19625
1147 1 2 . 1 1 83 83 ASP N N 83 108.020 108.020 111.312 -3.292 19625
1148 1 2 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.708 -0.148 19625
1149 1 2 . 1 1 83 83 ASP C C 83 175.310 175.310 176.789 -1.479 19625
1150 1 2 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.350 0.450 19625
1151 1 2 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.587 1.813 19625
1152 1 2 . 1 1 83 83 ASP H H 83 7.080 7.080 7.704 -0.624 19625
1153 1 2 . 1 1 84 84 MET N N 84 120.990 120.990 118.996 1.994 19625
1154 1 2 . 1 1 84 84 MET HA H 84 4.190 4.190 4.413 -0.223 19625
1155 1 2 . 1 1 84 84 MET C C 84 177.910 177.910 177.349 0.561 19625
1156 1 2 . 1 1 84 84 MET CA C 84 59.000 59.000 57.407 1.593 19625
1157 1 2 . 1 1 84 84 MET CB C 84 32.460 32.460 31.720 0.740 19625
1158 1 2 . 1 1 84 84 MET H H 84 9.290 9.290 8.799 0.491 19625
1159 1 2 . 1 1 85 85 SER N N 85 113.930 113.930 116.029 -2.099 19625
1160 1 2 . 1 1 85 85 SER HA H 85 4.310 4.310 4.228 0.082 19625
1161 1 2 . 1 1 85 85 SER C C 85 177.010 177.010 176.093 0.917 19625
1162 1 2 . 1 1 85 85 SER CA C 85 61.700 61.700 61.220 0.480 19625
1163 1 2 . 1 1 85 85 SER CB C 85 63.900 63.900 62.775 1.125 19625
1164 1 2 . 1 1 85 85 SER H H 85 8.520 8.520 8.032 0.488 19625
1165 1 2 . 1 1 86 86 ARG N N 86 120.920 120.920 121.282 -0.362 19625
1166 1 2 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.135 -0.415 19625
1167 1 2 . 1 1 86 86 ARG C C 86 179.510 179.510 178.475 1.035 19625
1168 1 2 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.326 1.034 19625
1169 1 2 . 1 1 86 86 ARG CB C 86 33.580 33.580 29.968 3.611 19625
1170 1 2 . 1 1 86 86 ARG H H 86 7.990 7.990 7.683 0.307 19625
1171 1 2 . 1 1 87 87 LEU N N 87 117.290 117.290 117.202 0.088 19625
1172 1 2 . 1 1 87 87 LEU HA H 87 3.910 3.910 4.086 -0.176 19625
1173 1 2 . 1 1 87 87 LEU C C 87 177.080 177.080 176.274 0.806 19625
1174 1 2 . 1 1 87 87 LEU CA C 87 59.100 59.100 55.946 3.154 19625
1175 1 2 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.783 0.917 19625
1176 1 2 . 1 1 87 87 LEU H H 87 7.400 7.400 8.426 -1.026 19625
1177 1 2 . 1 1 88 88 GLY N N 88 102.420 102.420 104.490 -2.070 19625
1178 1 2 . 1 1 88 88 GLY C C 88 169.840 169.840 173.738 -3.898 19625
1179 1 2 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.355 1.845 19625
1180 1 2 . 1 1 88 88 GLY H H 88 7.430 7.430 7.493 -0.063 19625
1181 1 2 . 1 1 89 89 ARG N N 89 115.910 115.910 119.210 -3.300 19625
1182 1 2 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.199 -0.159 19625
1183 1 2 . 1 1 89 89 ARG C C 89 177.540 177.540 176.379 1.161 19625
1184 1 2 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.207 -0.207 19625
1185 1 2 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.416 2.194 19625
1186 1 2 . 1 1 89 89 ARG H H 89 7.160 7.160 8.569 -1.409 19625
1187 1 2 . 1 1 90 90 ASN N N 90 117.420 117.420 120.447 -3.027 19625
1188 1 2 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.580 0.040 19625
1189 1 2 . 1 1 90 90 ASN C C 90 175.420 175.420 175.464 -0.044 19625
1190 1 2 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.443 -0.093 19625
1191 1 2 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.409 2.051 19625
1192 1 2 . 1 1 90 90 ASN H H 90 7.930 7.930 8.450 -0.520 19625
1193 1 2 . 1 1 91 91 TYR N N 91 126.420 126.420 125.447 0.973 19625
1194 1 2 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.244 -0.254 19625
1195 1 2 . 1 1 91 91 TYR C C 91 177.470 177.470 176.833 0.637 19625
1196 1 2 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.392 0.578 19625
1197 1 2 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.607 -0.317 19625
1198 1 2 . 1 1 91 91 TYR H H 91 8.590 8.590 8.356 0.234 19625
1199 1 2 . 1 1 92 92 LEU N N 92 121.090 121.090 120.766 0.324 19625
1200 1 2 . 1 1 92 92 LEU HA H 92 3.840 3.840 4.067 -0.227 19625
1201 1 2 . 1 1 92 92 LEU C C 92 179.580 179.580 179.131 0.449 19625
1202 1 2 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.474 0.026 19625
1203 1 2 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.365 0.835 19625
1204 1 2 . 1 1 92 92 LEU H H 92 7.860 7.860 8.045 -0.185 19625
1205 1 2 . 1 1 93 93 GLN N N 93 117.490 117.490 118.628 -1.138 19625
1206 1 2 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.827 0.113 19625
1207 1 2 . 1 1 93 93 GLN C C 93 178.630 178.630 178.631 -0.001 19625
1208 1 2 . 1 1 93 93 GLN CA C 93 58.800 58.800 59.162 -0.362 19625
1209 1 2 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.552 1.548 19625
1210 1 2 . 1 1 93 93 GLN H H 93 7.350 7.350 7.858 -0.508 19625
1211 1 2 . 1 1 94 94 VAL N N 94 118.580 118.580 119.493 -0.913 19625
1212 1 2 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.000 -0.480 19625
1213 1 2 . 1 1 94 94 VAL C C 94 177.420 177.420 177.836 -0.416 19625
1214 1 2 . 1 1 94 94 VAL CA C 94 67.500 67.500 67.434 0.066 19625
1215 1 2 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.476 1.324 19625
1216 1 2 . 1 1 94 94 VAL H H 94 8.230 8.230 8.632 -0.402 19625
1217 1 2 . 1 1 95 95 GLY N N 95 106.450 106.450 107.244 -0.794 19625
1218 1 2 . 1 1 95 95 GLY C C 95 174.810 174.810 175.513 -0.703 19625
1219 1 2 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.740 0.060 19625
1220 1 2 . 1 1 95 95 GLY H H 95 7.760 7.760 7.742 0.018 19625
1221 1 2 . 1 1 96 96 PHE N N 96 120.590 120.590 123.856 -3.266 19625
1222 1 2 . 1 1 96 96 PHE HA H 96 3.790 3.790 4.209 -0.419 19625
1223 1 2 . 1 1 96 96 PHE C C 96 176.780 176.780 176.895 -0.115 19625
1224 1 2 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.171 1.929 19625
1225 1 2 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.570 0.730 19625
1226 1 2 . 1 1 96 96 PHE H H 96 7.000 7.000 8.104 -1.104 19625
1227 1 2 . 1 1 97 97 TYR N N 97 116.700 116.700 116.401 0.299 19625
1228 1 2 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.831 -0.901 19625
1229 1 2 . 1 1 97 97 TYR C C 97 175.500 175.500 177.368 -1.868 19625
1230 1 2 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.034 0.666 19625
1231 1 2 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.254 0.546 19625
1232 1 2 . 1 1 97 97 TYR H H 97 7.030 7.030 7.916 -0.886 19625
1233 1 2 . 1 1 98 98 THR N N 98 104.710 104.710 110.373 -5.663 19625
1234 1 2 . 1 1 98 98 THR HA H 98 3.390 3.390 3.584 -0.194 19625
1235 1 2 . 1 1 98 98 THR C C 98 176.830 176.830 175.846 0.984 19625
1236 1 2 . 1 1 98 98 THR CA C 98 65.200 65.200 64.803 0.397 19625
1237 1 2 . 1 1 98 98 THR CB C 98 68.800 68.800 68.023 0.777 19625
1238 1 2 . 1 1 98 98 THR H H 98 7.540 7.540 7.298 0.242 19625
1239 1 2 . 1 1 99 99 GLU N N 99 116.670 116.670 119.479 -2.809 19625
1240 1 2 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.328 -0.118 19625
1241 1 2 . 1 1 99 99 GLU C C 99 176.820 176.820 177.557 -0.737 19625
1242 1 2 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.759 -0.559 19625
1243 1 2 . 1 1 99 99 GLU CB C 99 30.700 30.700 29.967 0.733 19625
1244 1 2 . 1 1 99 99 GLU H H 99 8.390 8.390 8.156 0.234 19625
1245 1 2 . 1 1 100 100 VAL N N 100 117.330 117.330 117.766 -0.436 19625
1246 1 2 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.939 -0.119 19625
1247 1 2 . 1 1 100 100 VAL C C 100 176.200 176.200 176.576 -0.376 19625
1248 1 2 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.599 1.401 19625
1249 1 2 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.617 0.083 19625
1250 1 2 . 1 1 100 100 VAL H H 100 6.590 6.590 7.479 -0.889 19625
1251 1 2 . 1 1 101 101 LEU N N 101 120.390 120.390 121.135 -0.745 19625
1252 1 2 . 1 1 101 101 LEU HA H 101 3.620 3.620 4.001 -0.381 19625
1253 1 2 . 1 1 101 101 LEU C C 101 177.510 177.510 179.556 -2.046 19625
1254 1 2 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.933 1.767 19625
1255 1 2 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.489 1.621 19625
1256 1 2 . 1 1 101 101 LEU H H 101 7.180 7.180 7.677 -0.497 19625
1257 1 2 . 1 1 102 102 PHE N N 102 114.030 114.030 118.015 -3.985 19625
1258 1 2 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.470 -0.120 19625
1259 1 2 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.430 -0.820 19625
1260 1 2 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.254 -1.484 19625
1261 1 2 . 1 1 102 102 PHE H H 102 8.660 8.660 9.261 -0.601 19625
1262 1 2 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.127 0.103 19625
1263 1 2 . 1 1 103 103 PRO C C 103 180.710 180.710 178.941 1.769 19625
1264 1 2 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.099 0.701 19625
1265 1 2 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.126 0.534 19625
1266 1 2 . 1 1 104 104 GLN N N 104 117.110 117.110 116.523 0.587 19625
1267 1 2 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.053 -0.173 19625
1268 1 2 . 1 1 104 104 GLN C C 104 177.700 177.700 177.189 0.511 19625
1269 1 2 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.188 1.512 19625
1270 1 2 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.408 0.992 19625
1271 1 2 . 1 1 104 104 GLN H H 104 7.290 7.290 7.981 -0.691 19625
1272 1 2 . 1 1 105 105 LYS N N 105 115.380 115.380 113.862 1.518 19625
1273 1 2 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.525 -0.205 19625
1274 1 2 . 1 1 105 105 LYS C C 105 174.880 174.880 175.483 -0.603 19625
1275 1 2 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.554 -0.754 19625
1276 1 2 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.968 -1.268 19625
1277 1 2 . 1 1 105 105 LYS H H 105 7.650 7.650 7.930 -0.280 19625
1278 1 2 . 1 1 106 106 ASN N N 106 116.100 116.100 117.832 -1.732 19625
1279 1 2 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.315 -0.175 19625
1280 1 2 . 1 1 106 106 ASN C C 106 173.400 173.400 173.116 0.284 19625
1281 1 2 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.862 1.338 19625
1282 1 2 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.657 -0.858 19625
1283 1 2 . 1 1 106 106 ASN H H 106 7.730 7.730 7.986 -0.256 19625
1284 1 2 . 1 1 107 107 VAL N N 107 119.060 119.060 122.213 -3.153 19625
1285 1 2 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.411 -0.681 19625
1286 1 2 . 1 1 107 107 VAL C C 107 175.280 175.280 175.229 0.051 19625
1287 1 2 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.374 1.726 19625
1288 1 2 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.900 -0.700 19625
1289 1 2 . 1 1 107 107 VAL H H 107 7.970 7.970 8.446 -0.476 19625
1290 1 2 . 1 1 108 108 ARG N N 108 129.920 129.920 126.955 2.965 19625
1291 1 2 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.690 -0.520 19625
1292 1 2 . 1 1 108 108 ARG C C 108 173.020 173.020 174.902 -1.882 19625
1293 1 2 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.582 2.108 19625
1294 1 2 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.659 0.441 19625
1295 1 2 . 1 1 108 108 ARG H H 108 8.230 8.230 8.535 -0.305 19625
1296 1 2 . 1 1 109 109 PHE N N 109 129.390 129.390 124.873 4.517 19625
1297 1 2 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.945 0.165 19625
1298 1 2 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.475 -1.345 19625
1299 1 2 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.168 1.722 19625
1300 1 2 . 1 1 109 109 PHE H H 109 8.550 8.550 8.839 -0.289 19625
1301 1 2 . 1 1 110 110 LEU N N 110 130.220 130.220 126.562 3.658 19625
1302 1 2 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.824 -0.734 19625
1303 1 2 . 1 1 110 110 LEU C C 110 172.360 172.360 173.904 -1.544 19625
1304 1 2 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.826 0.784 19625
1305 1 2 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.630 1.070 19625
1306 1 2 . 1 1 110 110 LEU H H 110 8.290 8.290 8.624 -0.334 19625
1307 1 2 . 1 1 111 111 ALA N N 111 123.890 123.890 129.917 -6.027 19625
1308 1 2 . 1 1 111 111 ALA HA H 111 4.580 4.580 5.002 -0.422 19625
1309 1 2 . 1 1 111 111 ALA C C 111 177.470 177.470 177.696 -0.226 19625
1310 1 2 . 1 1 111 111 ALA CA C 111 49.800 49.800 51.012 -1.212 19625
1311 1 2 . 1 1 111 111 ALA CB C 111 20.000 20.000 20.291 -0.291 19625
1312 1 2 . 1 1 111 111 ALA H H 111 7.590 7.590 8.571 -0.981 19625
1313 1 2 . 1 1 112 112 ILE N N 112 121.690 121.690 125.394 -3.704 19625
1314 1 2 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.696 -0.556 19625
1315 1 2 . 1 1 112 112 ILE C C 112 177.350 177.350 177.308 0.042 19625
1316 1 2 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.506 1.794 19625
1317 1 2 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.558 0.482 19625
1318 1 2 . 1 1 112 112 ILE H H 112 7.700 7.700 8.445 -0.745 19625
1319 1 2 . 1 1 113 113 ASN N N 113 116.220 116.220 117.129 -0.909 19625
1320 1 2 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.692 0.048 19625
1321 1 2 . 1 1 113 113 ASN C C 113 175.110 175.110 174.206 0.904 19625
1322 1 2 . 1 1 113 113 ASN CA C 113 53.610 53.610 54.306 -0.696 19625
1323 1 2 . 1 1 113 113 ASN CB C 113 39.660 39.660 39.246 0.414 19625
1324 1 2 . 1 1 113 113 ASN H H 113 8.350 8.350 8.526 -0.176 19625
1325 1 2 . 1 1 114 114 ASN N N 114 118.560 118.560 115.879 2.681 19625
1326 1 2 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.765 -0.165 19625
1327 1 2 . 1 1 114 114 ASN C C 114 174.870 174.870 173.248 1.622 19625
1328 1 2 . 1 1 114 114 ASN CA C 114 54.340 54.340 52.967 1.373 19625
1329 1 2 . 1 1 114 114 ASN CB C 114 40.600 40.600 41.328 -0.729 19625
1330 1 2 . 1 1 114 114 ASN H H 114 8.110 8.110 7.500 0.610 19625
1331 1 2 . 1 1 115 115 SER N N 115 114.600 114.600 115.921 -1.321 19625
1332 1 2 . 1 1 115 115 SER HA H 115 4.320 4.320 4.462 -0.142 19625
1333 1 2 . 1 1 115 115 SER C C 115 174.120 174.120 175.301 -1.181 19625
1334 1 2 . 1 1 115 115 SER CA C 115 59.260 59.260 58.706 0.554 19625
1335 1 2 . 1 1 115 115 SER CB C 115 64.200 64.200 63.355 0.845 19625
1336 1 2 . 1 1 115 115 SER H H 115 8.010 8.010 8.679 -0.669 19625
1337 1 2 . 1 1 116 116 ILE N N 116 121.020 121.020 124.249 -3.229 19625
1338 1 2 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.897 0.123 19625
1339 1 2 . 1 1 116 116 ILE C C 116 175.590 175.590 175.422 0.168 19625
1340 1 2 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.266 -1.076 19625
1341 1 2 . 1 1 116 116 ILE CB C 116 39.900 39.900 37.808 2.092 19625
1342 1 2 . 1 1 116 116 ILE H H 116 7.920 7.920 8.504 -0.584 19625
1343 1 2 . 1 1 117 117 ASP N N 117 124.190 124.190 115.989 8.201 19625
1344 1 2 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.658 -0.068 19625
1345 1 2 . 1 1 117 117 ASP C C 117 174.870 174.870 175.298 -0.428 19625
1346 1 2 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.583 1.197 19625
1347 1 2 . 1 1 117 117 ASP CB C 117 42.490 42.490 40.948 1.542 19625
1348 1 2 . 1 1 117 117 ASP H H 117 8.160 8.160 8.392 -0.232 19625
1349 1 2 . 1 1 118 118 SER N N 118 116.920 116.920 115.892 1.028 19625
1350 1 2 . 1 1 118 118 SER HA H 118 4.250 4.250 4.595 -0.345 19625
1351 1 2 . 1 1 118 118 SER C C 118 174.260 174.260 173.710 0.550 19625
1352 1 2 . 1 1 118 118 SER CA C 118 59.770 59.770 59.137 0.633 19625
1353 1 2 . 1 1 118 118 SER CB C 118 64.500 64.500 63.853 0.647 19625
1354 1 2 . 1 1 118 118 SER H H 118 8.220 8.220 8.361 -0.141 19625
1355 1 2 . 1 1 119 119 ASN N N 119 120.830 120.830 119.981 0.849 19625
1356 1 2 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.842 -0.262 19625
1357 1 2 . 1 1 119 119 ASN C C 119 174.120 174.120 173.491 0.629 19625
1358 1 2 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.158 1.042 19625
1359 1 2 . 1 1 119 119 ASN CB C 119 39.700 39.700 40.053 -0.353 19625
1360 1 2 . 1 1 119 119 ASN H H 119 8.330 8.330 8.329 0.001 19625
1361 1 3 . 1 1 2 2 SER HA H 2 4.320 4.320 4.141 0.179 19625
1362 1 3 . 1 1 2 2 SER C C 2 174.400 174.400 173.995 0.405 19625
1363 1 3 . 1 1 2 2 SER CA C 2 59.200 59.200 58.421 0.779 19625
1364 1 3 . 1 1 2 2 SER CB C 2 64.800 64.800 63.562 1.238 19625
1365 1 3 . 1 1 3 3 ARG N N 3 123.220 123.220 122.774 0.446 19625
1366 1 3 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.305 -0.075 19625
1367 1 3 . 1 1 3 3 ARG C C 3 176.320 176.320 176.048 0.272 19625
1368 1 3 . 1 1 3 3 ARG CA C 3 57.300 57.300 57.333 -0.033 19625
1369 1 3 . 1 1 3 3 ARG CB C 3 31.600 31.600 30.030 1.570 19625
1370 1 3 . 1 1 3 3 ARG H H 3 8.590 8.590 8.613 -0.023 19625
1371 1 3 . 1 1 4 4 THR N N 4 114.540 114.540 113.734 0.806 19625
1372 1 3 . 1 1 4 4 THR HA H 4 4.270 4.270 4.557 -0.287 19625
1373 1 3 . 1 1 4 4 THR C C 4 173.880 173.880 174.077 -0.197 19625
1374 1 3 . 1 1 4 4 THR CA C 4 62.200 62.200 61.950 0.250 19625
1375 1 3 . 1 1 4 4 THR CB C 4 70.700 70.700 69.734 0.966 19625
1376 1 3 . 1 1 4 4 THR H H 4 8.090 8.090 7.786 0.304 19625
1377 1 3 . 1 1 5 5 SER N N 5 117.410 117.410 118.151 -0.741 19625
1378 1 3 . 1 1 5 5 SER HA H 5 4.320 4.320 4.310 0.010 19625
1379 1 3 . 1 1 5 5 SER C C 5 174.020 174.020 174.642 -0.622 19625
1380 1 3 . 1 1 5 5 SER CA C 5 58.900 58.900 58.921 -0.021 19625
1381 1 3 . 1 1 5 5 SER CB C 5 64.700 64.700 62.989 1.710 19625
1382 1 3 . 1 1 5 5 SER H H 5 8.100 8.100 8.366 -0.266 19625
1383 1 3 . 1 1 6 6 ARG N N 6 122.330 122.330 123.054 -0.724 19625
1384 1 3 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.466 -0.176 19625
1385 1 3 . 1 1 6 6 ARG C C 6 176.850 176.850 176.334 0.516 19625
1386 1 3 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.763 1.637 19625
1387 1 3 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.747 2.653 19625
1388 1 3 . 1 1 6 6 ARG H H 6 8.100 8.100 8.154 -0.054 19625
1389 1 3 . 1 1 7 7 ILE N N 7 115.270 115.270 113.274 1.996 19625
1390 1 3 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.510 0.060 19625
1391 1 3 . 1 1 7 7 ILE C C 7 177.060 177.060 174.302 2.758 19625
1392 1 3 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.055 2.175 19625
1393 1 3 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.687 0.493 19625
1394 1 3 . 1 1 7 7 ILE H H 7 8.550 8.550 8.677 -0.127 19625
1395 1 3 . 1 1 8 8 THR N N 8 120.840 120.840 118.320 2.520 19625
1396 1 3 . 1 1 8 8 THR HA H 8 4.420 4.420 4.447 -0.027 19625
1397 1 3 . 1 1 8 8 THR C C 8 172.530 172.530 173.425 -0.895 19625
1398 1 3 . 1 1 8 8 THR CA C 8 63.100 63.100 61.908 1.192 19625
1399 1 3 . 1 1 8 8 THR CB C 8 69.000 69.000 70.251 -1.251 19625
1400 1 3 . 1 1 8 8 THR H H 8 8.030 8.030 7.915 0.115 19625
1401 1 3 . 1 1 9 9 ALA N N 9 129.200 129.200 128.643 0.557 19625
1402 1 3 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.049 -0.269 19625
1403 1 3 . 1 1 9 9 ALA C C 9 173.980 173.980 174.795 -0.815 19625
1404 1 3 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.492 0.808 19625
1405 1 3 . 1 1 9 9 ALA CB C 9 23.400 23.400 20.829 2.571 19625
1406 1 3 . 1 1 9 9 ALA H H 9 9.210 9.210 9.152 0.058 19625
1407 1 3 . 1 1 10 10 LEU N N 10 124.830 124.830 128.573 -3.743 19625
1408 1 3 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.265 -0.435 19625
1409 1 3 . 1 1 10 10 LEU C C 10 174.400 174.400 174.655 -0.255 19625
1410 1 3 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.537 0.263 19625
1411 1 3 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.122 -2.622 19625
1412 1 3 . 1 1 10 10 LEU H H 10 8.720 8.720 9.215 -0.495 19625
1413 1 3 . 1 1 11 11 TYR N N 11 122.470 122.470 128.834 -6.364 19625
1414 1 3 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.666 0.164 19625
1415 1 3 . 1 1 11 11 TYR C C 11 174.120 174.120 173.446 0.674 19625
1416 1 3 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.512 1.588 19625
1417 1 3 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.721 -0.221 19625
1418 1 3 . 1 1 11 11 TYR H H 11 8.000 8.000 8.747 -0.747 19625
1419 1 3 . 1 1 12 12 GLU N N 12 121.360 121.360 125.928 -4.568 19625
1420 1 3 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.485 -0.285 19625
1421 1 3 . 1 1 12 12 GLU C C 12 172.720 172.720 173.801 -1.081 19625
1422 1 3 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.992 0.708 19625
1423 1 3 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.350 -2.950 19625
1424 1 3 . 1 1 12 12 GLU H H 12 7.870 7.870 8.493 -0.623 19625
1425 1 3 . 1 1 13 13 ARG N N 13 118.180 118.180 121.303 -3.123 19625
1426 1 3 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.455 0.415 19625
1427 1 3 . 1 1 13 13 ARG C C 13 174.680 174.680 174.075 0.605 19625
1428 1 3 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.257 0.543 19625
1429 1 3 . 1 1 13 13 ARG CB C 13 35.360 35.360 31.703 3.658 19625
1430 1 3 . 1 1 13 13 ARG H H 13 7.290 7.290 8.348 -1.058 19625
1431 1 3 . 1 1 14 14 LEU N N 14 131.070 131.070 125.075 5.995 19625
1432 1 3 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.722 -0.332 19625
1433 1 3 . 1 1 14 14 LEU C C 14 172.930 172.930 175.763 -2.833 19625
1434 1 3 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.617 2.783 19625
1435 1 3 . 1 1 14 14 LEU CB C 14 47.800 47.800 43.519 4.281 19625
1436 1 3 . 1 1 14 14 LEU H H 14 8.010 8.010 8.412 -0.402 19625
1437 1 3 . 1 1 15 15 SER N N 15 118.940 118.940 119.303 -0.363 19625
1438 1 3 . 1 1 15 15 SER HA H 15 4.520 4.520 4.556 -0.036 19625
1439 1 3 . 1 1 15 15 SER C C 15 175.380 175.380 175.331 0.049 19625
1440 1 3 . 1 1 15 15 SER CA C 15 58.300 58.300 58.127 0.173 19625
1441 1 3 . 1 1 15 15 SER CB C 15 65.300 65.300 63.884 1.416 19625
1442 1 3 . 1 1 15 15 SER H H 15 8.580 8.580 8.774 -0.194 19625
1443 1 3 . 1 1 16 16 ARG N N 16 123.190 123.190 126.689 -3.499 19625
1444 1 3 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.275 -0.315 19625
1445 1 3 . 1 1 16 16 ARG C C 16 177.410 177.410 175.938 1.472 19625
1446 1 3 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.517 1.983 19625
1447 1 3 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.336 0.064 19625
1448 1 3 . 1 1 16 16 ARG H H 16 8.980 8.980 8.928 0.052 19625
1449 1 3 . 1 1 17 17 ASP N N 17 115.110 115.110 117.937 -2.827 19625
1450 1 3 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.468 -0.168 19625
1451 1 3 . 1 1 17 17 ASP C C 17 176.090 176.090 175.869 0.221 19625
1452 1 3 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.833 -0.233 19625
1453 1 3 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.123 -0.023 19625
1454 1 3 . 1 1 17 17 ASP H H 17 8.160 8.160 7.956 0.204 19625
1455 1 3 . 1 1 18 18 ASP N N 18 119.390 119.390 119.045 0.345 19625
1456 1 3 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.410 -0.110 19625
1457 1 3 . 1 1 18 18 ASP C C 18 175.750 175.750 175.767 -0.017 19625
1458 1 3 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.981 1.319 19625
1459 1 3 . 1 1 18 18 ASP CB C 18 42.740 42.740 40.545 2.195 19625
1460 1 3 . 1 1 18 18 ASP H H 18 7.240 7.240 7.695 -0.455 19625
1461 1 3 . 1 1 19 19 ASP N N 19 117.850 117.850 116.151 1.699 19625
1462 1 3 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.524 -0.294 19625
1463 1 3 . 1 1 19 19 ASP C C 19 175.300 175.300 176.055 -0.755 19625
1464 1 3 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.708 1.322 19625
1465 1 3 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.155 0.905 19625
1466 1 3 . 1 1 19 19 ASP H H 19 8.000 8.000 8.747 -0.747 19625
1467 1 3 . 1 1 20 20 LEU N N 20 120.230 120.230 113.329 6.901 19625
1468 1 3 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.730 -0.350 19625
1469 1 3 . 1 1 20 20 LEU C C 20 176.830 176.830 176.061 0.769 19625
1470 1 3 . 1 1 20 20 LEU CA C 20 55.100 55.100 54.670 0.430 19625
1471 1 3 . 1 1 20 20 LEU CB C 20 43.480 43.480 43.913 -0.433 19625
1472 1 3 . 1 1 20 20 LEU H H 20 7.960 7.960 7.536 0.424 19625
1473 1 3 . 1 1 21 21 THR N N 21 113.040 113.040 114.435 -1.395 19625
1474 1 3 . 1 1 21 21 THR HA H 21 4.290 4.290 4.219 0.071 19625
1475 1 3 . 1 1 21 21 THR C C 21 174.900 174.900 174.262 0.638 19625
1476 1 3 . 1 1 21 21 THR CA C 21 61.970 61.970 63.348 -1.378 19625
1477 1 3 . 1 1 21 21 THR CB C 21 71.200 71.200 69.029 2.171 19625
1478 1 3 . 1 1 21 21 THR H H 21 8.070 8.070 7.789 0.281 19625
1479 1 3 . 1 1 22 22 GLY N N 22 110.100 110.100 110.502 -0.402 19625
1480 1 3 . 1 1 22 22 GLY C C 22 175.110 175.110 174.082 1.028 19625
1481 1 3 . 1 1 22 22 GLY CA C 22 45.970 45.970 44.498 1.472 19625
1482 1 3 . 1 1 22 22 GLY H H 22 8.230 8.230 7.899 0.331 19625
1483 1 3 . 1 1 23 23 GLU N N 23 121.940 121.940 120.185 1.755 19625
1484 1 3 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.074 -0.074 19625
1485 1 3 . 1 1 23 23 GLU C C 23 178.200 178.200 176.943 1.257 19625
1486 1 3 . 1 1 23 23 GLU CA C 23 58.900 58.900 58.596 0.304 19625
1487 1 3 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.728 0.872 19625
1488 1 3 . 1 1 23 23 GLU H H 23 8.550 8.550 8.671 -0.121 19625
1489 1 3 . 1 1 24 24 SER N N 24 114.930 114.930 111.107 3.823 19625
1490 1 3 . 1 1 24 24 SER HA H 24 3.990 3.990 4.273 -0.283 19625
1491 1 3 . 1 1 24 24 SER C C 24 174.000 174.000 173.906 0.094 19625
1492 1 3 . 1 1 24 24 SER CA C 24 61.610 61.610 58.703 2.907 19625
1493 1 3 . 1 1 24 24 SER CB C 24 63.600 63.600 62.902 0.698 19625
1494 1 3 . 1 1 24 24 SER H H 24 8.290 8.290 8.231 0.059 19625
1495 1 3 . 1 1 25 25 ASN N N 25 117.820 117.820 119.643 -1.823 19625
1496 1 3 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.909 -0.179 19625
1497 1 3 . 1 1 25 25 ASN C C 25 174.380 174.380 173.468 0.912 19625
1498 1 3 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.842 0.258 19625
1499 1 3 . 1 1 25 25 ASN CB C 25 40.800 40.800 40.353 0.447 19625
1500 1 3 . 1 1 25 25 ASN H H 25 7.620 7.620 7.814 -0.194 19625
1501 1 3 . 1 1 26 26 SER N N 26 115.050 115.050 114.709 0.341 19625
1502 1 3 . 1 1 26 26 SER HA H 26 4.140 4.140 4.636 -0.496 19625
1503 1 3 . 1 1 26 26 SER C C 26 174.660 174.660 174.204 0.456 19625
1504 1 3 . 1 1 26 26 SER CA C 26 58.500 58.500 57.433 1.067 19625
1505 1 3 . 1 1 26 26 SER CB C 26 65.000 65.000 66.028 -1.028 19625
1506 1 3 . 1 1 26 26 SER H H 26 7.510 7.510 7.931 -0.421 19625
1507 1 3 . 1 1 27 27 ILE N N 27 124.200 124.200 124.811 -0.611 19625
1508 1 3 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.722 -0.262 19625
1509 1 3 . 1 1 27 27 ILE C C 27 177.540 177.540 178.080 -0.540 19625
1510 1 3 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.950 -1.510 19625
1511 1 3 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.004 -0.604 19625
1512 1 3 . 1 1 27 27 ILE H H 27 8.960 8.960 8.749 0.211 19625
1513 1 3 . 1 1 28 28 THR N N 28 114.810 114.810 114.700 0.110 19625
1514 1 3 . 1 1 28 28 THR HA H 28 3.510 3.510 3.940 -0.430 19625
1515 1 3 . 1 1 28 28 THR C C 28 176.210 176.210 176.509 -0.299 19625
1516 1 3 . 1 1 28 28 THR CA C 28 67.300 67.300 66.512 0.788 19625
1517 1 3 . 1 1 28 28 THR CB C 28 69.240 69.240 68.213 1.026 19625
1518 1 3 . 1 1 28 28 THR H H 28 8.030 8.030 8.360 -0.330 19625
1519 1 3 . 1 1 29 29 ASN N N 29 120.670 120.670 118.575 2.095 19625
1520 1 3 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.498 -0.098 19625
1521 1 3 . 1 1 29 29 ASN C C 29 175.110 175.110 177.825 -2.715 19625
1522 1 3 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.560 0.540 19625
1523 1 3 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.417 0.283 19625
1524 1 3 . 1 1 29 29 ASN H H 29 7.640 7.640 8.217 -0.577 19625
1525 1 3 . 1 1 30 30 GLN N N 30 122.180 122.180 118.849 3.331 19625
1526 1 3 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.091 -0.241 19625
1527 1 3 . 1 1 30 30 GLN CA C 30 61.510 61.510 59.002 2.508 19625
1528 1 3 . 1 1 30 30 GLN CB C 30 32.060 32.060 28.335 3.725 19625
1529 1 3 . 1 1 30 30 GLN H H 30 8.620 8.620 8.118 0.502 19625
1530 1 3 . 1 1 31 31 LYS N N 31 116.860 116.860 119.781 -2.921 19625
1531 1 3 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.136 -0.306 19625
1532 1 3 . 1 1 31 31 LYS C C 31 178.370 178.370 179.259 -0.889 19625
1533 1 3 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.892 1.408 19625
1534 1 3 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.158 1.422 19625
1535 1 3 . 1 1 31 31 LYS H H 31 8.230 8.230 7.929 0.301 19625
1536 1 3 . 1 1 32 32 LYS N N 32 117.720 117.720 119.283 -1.563 19625
1537 1 3 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.081 -0.231 19625
1538 1 3 . 1 1 32 32 LYS C C 32 177.840 177.840 178.833 -0.993 19625
1539 1 3 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.417 0.783 19625
1540 1 3 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.321 1.179 19625
1541 1 3 . 1 1 32 32 LYS H H 32 7.470 7.470 7.780 -0.310 19625
1542 1 3 . 1 1 33 33 TYR N N 33 120.230 120.230 121.455 -1.225 19625
1543 1 3 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.113 0.027 19625
1544 1 3 . 1 1 33 33 TYR C C 33 178.990 178.990 177.832 1.158 19625
1545 1 3 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.050 -0.150 19625
1546 1 3 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.356 1.894 19625
1547 1 3 . 1 1 33 33 TYR H H 33 8.210 8.210 7.809 0.401 19625
1548 1 3 . 1 1 34 34 LEU N N 34 117.680 117.680 118.137 -0.457 19625
1549 1 3 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.915 -0.135 19625
1550 1 3 . 1 1 34 34 LEU C C 34 178.370 178.370 179.171 -0.801 19625
1551 1 3 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.730 1.270 19625
1552 1 3 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.388 2.612 19625
1553 1 3 . 1 1 34 34 LEU H H 34 8.270 8.270 8.198 0.072 19625
1554 1 3 . 1 1 35 35 GLU N N 35 120.040 120.040 119.778 0.262 19625
1555 1 3 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.994 -0.394 19625
1556 1 3 . 1 1 35 35 GLU C C 35 178.480 178.480 178.999 -0.519 19625
1557 1 3 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.268 1.232 19625
1558 1 3 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.385 1.015 19625
1559 1 3 . 1 1 35 35 GLU H H 35 8.490 8.490 8.057 0.433 19625
1560 1 3 . 1 1 36 36 ASP N N 36 119.540 119.540 119.153 0.387 19625
1561 1 3 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.366 -0.166 19625
1562 1 3 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.852 0.548 19625
1563 1 3 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.845 0.555 19625
1564 1 3 . 1 1 36 36 ASP H H 36 8.410 8.410 8.361 0.049 19625
1565 1 3 . 1 1 37 37 TYR N N 37 120.120 120.120 119.978 0.142 19625
1566 1 3 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.159 -0.579 19625
1567 1 3 . 1 1 37 37 TYR C C 37 178.270 178.270 176.733 1.537 19625
1568 1 3 . 1 1 37 37 TYR CA C 37 63.000 63.000 60.868 2.132 19625
1569 1 3 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.617 1.044 19625
1570 1 3 . 1 1 37 37 TYR H H 37 7.560 7.560 7.266 0.294 19625
1571 1 3 . 1 1 38 38 ALA N N 38 122.290 122.290 121.352 0.938 19625
1572 1 3 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.164 -0.244 19625
1573 1 3 . 1 1 38 38 ALA C C 38 178.770 178.770 179.490 -0.720 19625
1574 1 3 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.528 0.572 19625
1575 1 3 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.360 0.539 19625
1576 1 3 . 1 1 38 38 ALA H H 38 8.740 8.740 9.103 -0.363 19625
1577 1 3 . 1 1 39 39 ARG N N 39 117.070 117.070 117.176 -0.106 19625
1578 1 3 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.031 -0.091 19625
1579 1 3 . 1 1 39 39 ARG C C 39 180.550 180.550 178.225 2.325 19625
1580 1 3 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.329 1.871 19625
1581 1 3 . 1 1 39 39 ARG CB C 39 30.600 30.600 29.999 0.601 19625
1582 1 3 . 1 1 39 39 ARG H H 39 8.390 8.390 8.510 -0.120 19625
1583 1 3 . 1 1 40 40 ARG N N 40 118.990 118.990 118.721 0.269 19625
1584 1 3 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.025 -0.175 19625
1585 1 3 . 1 1 40 40 ARG C C 40 177.010 177.010 177.888 -0.878 19625
1586 1 3 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.113 1.387 19625
1587 1 3 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.508 1.192 19625
1588 1 3 . 1 1 40 40 ARG H H 40 8.030 8.030 7.689 0.341 19625
1589 1 3 . 1 1 41 41 ASN N N 41 113.570 113.570 115.432 -1.862 19625
1590 1 3 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.328 -0.008 19625
1591 1 3 . 1 1 41 41 ASN C C 41 173.550 173.550 175.260 -1.710 19625
1592 1 3 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.662 0.738 19625
1593 1 3 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.446 1.254 19625
1594 1 3 . 1 1 41 41 ASN H H 41 7.020 7.020 7.954 -0.934 19625
1595 1 3 . 1 1 42 42 GLY N N 42 106.670 106.670 107.435 -0.765 19625
1596 1 3 . 1 1 42 42 GLY C C 42 174.120 174.120 173.529 0.591 19625
1597 1 3 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.577 2.723 19625
1598 1 3 . 1 1 42 42 GLY H H 42 7.230 7.230 7.476 -0.246 19625
1599 1 3 . 1 1 43 43 PHE N N 43 119.360 119.360 119.776 -0.416 19625
1600 1 3 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.710 -0.370 19625
1601 1 3 . 1 1 43 43 PHE C C 43 174.900 174.900 175.233 -0.333 19625
1602 1 3 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.038 2.962 19625
1603 1 3 . 1 1 43 43 PHE CB C 43 39.500 39.500 39.920 -0.420 19625
1604 1 3 . 1 1 43 43 PHE H H 43 7.870 7.870 8.249 -0.379 19625
1605 1 3 . 1 1 44 44 GLU N N 44 119.760 119.760 122.635 -2.875 19625
1606 1 3 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.463 -0.093 19625
1607 1 3 . 1 1 44 44 GLU C C 44 175.870 175.870 176.047 -0.177 19625
1608 1 3 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.654 0.856 19625
1609 1 3 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.580 2.120 19625
1610 1 3 . 1 1 44 44 GLU H H 44 8.510 8.510 8.590 -0.080 19625
1611 1 3 . 1 1 45 45 ASN N N 45 118.280 118.280 114.945 3.335 19625
1612 1 3 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.338 -0.178 19625
1613 1 3 . 1 1 45 45 ASN C C 45 174.730 174.730 174.279 0.451 19625
1614 1 3 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.196 0.004 19625
1615 1 3 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.983 0.717 19625
1616 1 3 . 1 1 45 45 ASN H H 45 8.710 8.710 8.731 -0.021 19625
1617 1 3 . 1 1 46 46 ILE N N 46 117.440 117.440 118.765 -1.325 19625
1618 1 3 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.771 0.609 19625
1619 1 3 . 1 1 46 46 ILE C C 46 177.370 177.370 175.578 1.792 19625
1620 1 3 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.520 -0.220 19625
1621 1 3 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.091 3.809 19625
1622 1 3 . 1 1 46 46 ILE H H 46 7.840 7.840 8.164 -0.324 19625
1623 1 3 . 1 1 47 47 ARG N N 47 126.600 126.600 127.965 -1.365 19625
1624 1 3 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.377 -0.127 19625
1625 1 3 . 1 1 47 47 ARG C C 47 173.900 173.900 174.817 -0.917 19625
1626 1 3 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.088 1.812 19625
1627 1 3 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.958 3.142 19625
1628 1 3 . 1 1 47 47 ARG H H 47 8.440 8.440 8.075 0.365 19625
1629 1 3 . 1 1 48 48 HIS N N 48 122.600 122.600 123.583 -0.983 19625
1630 1 3 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.976 0.204 19625
1631 1 3 . 1 1 48 48 HIS C C 48 175.370 175.370 174.835 0.535 19625
1632 1 3 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.308 2.192 19625
1633 1 3 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.274 2.226 19625
1634 1 3 . 1 1 48 48 HIS H H 48 8.530 8.530 8.560 -0.030 19625
1635 1 3 . 1 1 49 49 PHE N N 49 124.090 124.090 126.170 -2.080 19625
1636 1 3 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.878 -0.398 19625
1637 1 3 . 1 1 49 49 PHE C C 49 173.760 173.760 174.786 -1.026 19625
1638 1 3 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.769 1.631 19625
1639 1 3 . 1 1 49 49 PHE CB C 49 42.500 42.500 39.078 3.422 19625
1640 1 3 . 1 1 49 49 PHE H H 49 9.340 9.340 9.648 -0.308 19625
1641 1 3 . 1 1 50 50 THR N N 50 117.900 117.900 118.340 -0.440 19625
1642 1 3 . 1 1 50 50 THR HA H 50 4.720 4.720 4.452 0.268 19625
1643 1 3 . 1 1 50 50 THR C C 50 172.640 172.640 174.101 -1.461 19625
1644 1 3 . 1 1 50 50 THR CA C 50 63.200 63.200 62.311 0.889 19625
1645 1 3 . 1 1 50 50 THR CB C 50 72.300 72.300 69.898 2.402 19625
1646 1 3 . 1 1 50 50 THR H H 50 8.530 8.530 8.559 -0.029 19625
1647 1 3 . 1 1 51 51 ASP N N 51 127.240 127.240 125.414 1.826 19625
1648 1 3 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.537 0.733 19625
1649 1 3 . 1 1 51 51 ASP C C 51 173.530 173.530 174.016 -0.486 19625
1650 1 3 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.786 2.214 19625
1651 1 3 . 1 1 51 51 ASP CB C 51 44.300 44.300 43.841 0.459 19625
1652 1 3 . 1 1 51 51 ASP H H 51 8.560 8.560 8.175 0.385 19625
1653 1 3 . 1 1 52 52 ASP N N 52 125.700 125.700 121.502 4.198 19625
1654 1 3 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.530 -0.020 19625
1655 1 3 . 1 1 52 52 ASP C C 52 175.090 175.090 175.998 -0.908 19625
1656 1 3 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.208 0.642 19625
1657 1 3 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.207 -0.107 19625
1658 1 3 . 1 1 52 52 ASP H H 52 9.210 9.210 7.528 1.682 19625
1659 1 3 . 1 1 53 53 GLY N N 53 113.640 113.640 113.866 -0.226 19625
1660 1 3 . 1 1 53 53 GLY C C 53 173.950 173.950 174.014 -0.064 19625
1661 1 3 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.714 0.886 19625
1662 1 3 . 1 1 53 53 GLY H H 53 8.660 8.660 8.582 0.078 19625
1663 1 3 . 1 1 54 54 PHE N N 54 116.490 116.490 120.230 -3.740 19625
1664 1 3 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.712 -0.232 19625
1665 1 3 . 1 1 54 54 PHE C C 54 174.240 174.240 176.278 -2.038 19625
1666 1 3 . 1 1 54 54 PHE CA C 54 58.200 58.200 55.743 2.457 19625
1667 1 3 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.278 3.622 19625
1668 1 3 . 1 1 54 54 PHE H H 54 6.780 6.780 8.199 -1.419 19625
1669 1 3 . 1 1 55 55 SER N N 55 118.160 118.160 117.847 0.313 19625
1670 1 3 . 1 1 55 55 SER HA H 55 4.190 4.190 4.498 -0.308 19625
1671 1 3 . 1 1 55 55 SER C C 55 175.490 175.490 175.135 0.355 19625
1672 1 3 . 1 1 55 55 SER CA C 55 59.000 59.000 58.761 0.238 19625
1673 1 3 . 1 1 55 55 SER CB C 55 63.600 63.600 64.499 -0.899 19625
1674 1 3 . 1 1 55 55 SER H H 55 8.620 8.620 8.513 0.107 19625
1675 1 3 . 1 1 56 56 GLY N N 56 113.640 113.640 109.241 4.399 19625
1676 1 3 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.131 0.669 19625
1677 1 3 . 1 1 56 56 GLY H H 56 8.990 8.990 8.699 0.291 19625
1678 1 3 . 1 1 57 57 VAL N N 57 118.020 118.020 118.720 -0.700 19625
1679 1 3 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.113 -0.493 19625
1680 1 3 . 1 1 57 57 VAL C C 57 173.800 173.800 174.835 -1.035 19625
1681 1 3 . 1 1 57 57 VAL CA C 57 64.550 64.550 62.137 2.413 19625
1682 1 3 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.816 -0.206 19625
1683 1 3 . 1 1 57 57 VAL H H 57 8.250 8.250 7.878 0.372 19625
1684 1 3 . 1 1 58 58 ASN N N 58 112.780 112.780 115.437 -2.657 19625
1685 1 3 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.475 0.005 19625
1686 1 3 . 1 1 58 58 ASN C C 58 174.310 174.310 174.259 0.051 19625
1687 1 3 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.946 -0.426 19625
1688 1 3 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.551 3.349 19625
1689 1 3 . 1 1 58 58 ASN H H 58 6.830 6.830 7.497 -0.667 19625
1690 1 3 . 1 1 59 59 PHE N N 59 118.570 118.570 119.212 -0.642 19625
1691 1 3 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.164 0.776 19625
1692 1 3 . 1 1 59 59 PHE C C 59 175.310 175.310 175.309 0.001 19625
1693 1 3 . 1 1 59 59 PHE CA C 59 59.300 59.300 58.955 0.345 19625
1694 1 3 . 1 1 59 59 PHE CB C 59 38.600 38.600 37.658 0.942 19625
1695 1 3 . 1 1 59 59 PHE H H 59 8.950 8.950 7.525 1.425 19625
1696 1 3 . 1 1 60 60 ASN N N 60 124.690 124.690 115.323 9.367 19625
1697 1 3 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.155 0.575 19625
1698 1 3 . 1 1 60 60 ASN C C 60 172.860 172.860 173.080 -0.220 19625
1699 1 3 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.393 -0.393 19625
1700 1 3 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.760 -0.660 19625
1701 1 3 . 1 1 60 60 ASN H H 60 8.620 8.620 7.697 0.923 19625
1702 1 3 . 1 1 61 61 ARG N N 61 119.260 119.260 118.944 0.316 19625
1703 1 3 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.429 -0.029 19625
1704 1 3 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.323 -2.733 19625
1705 1 3 . 1 1 61 61 ARG CB C 61 32.060 32.060 29.837 2.223 19625
1706 1 3 . 1 1 61 61 ARG H H 61 7.440 7.440 7.697 -0.257 19625
1707 1 3 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.352 -0.202 19625
1708 1 3 . 1 1 62 62 PRO C C 62 179.790 179.790 178.539 1.251 19625
1709 1 3 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.210 -0.010 19625
1710 1 3 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.116 0.784 19625
1711 1 3 . 1 1 63 63 GLY N N 63 117.020 117.020 107.053 9.967 19625
1712 1 3 . 1 1 63 63 GLY C C 63 176.580 176.580 176.529 0.051 19625
1713 1 3 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.374 0.326 19625
1714 1 3 . 1 1 63 63 GLY H H 63 10.740 10.740 8.755 1.985 19625
1715 1 3 . 1 1 64 64 PHE N N 64 125.390 125.390 122.739 2.651 19625
1716 1 3 . 1 1 64 64 PHE HA H 64 3.560 3.560 3.983 -0.423 19625
1717 1 3 . 1 1 64 64 PHE C C 64 176.330 176.330 177.024 -0.694 19625
1718 1 3 . 1 1 64 64 PHE CA C 64 63.300 63.300 60.310 2.990 19625
1719 1 3 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.759 1.841 19625
1720 1 3 . 1 1 64 64 PHE H H 64 9.180 9.180 8.255 0.925 19625
1721 1 3 . 1 1 65 65 GLN N N 65 115.560 115.560 118.390 -2.830 19625
1722 1 3 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.019 -0.329 19625
1723 1 3 . 1 1 65 65 GLN C C 65 179.240 179.240 178.798 0.442 19625
1724 1 3 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.413 0.687 19625
1725 1 3 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.172 0.228 19625
1726 1 3 . 1 1 65 65 GLN H H 65 8.480 8.480 8.987 -0.507 19625
1727 1 3 . 1 1 66 66 SER N N 66 116.700 116.700 116.244 0.456 19625
1728 1 3 . 1 1 66 66 SER HA H 66 4.080 4.080 4.306 -0.226 19625
1729 1 3 . 1 1 66 66 SER C C 66 175.920 175.920 176.275 -0.355 19625
1730 1 3 . 1 1 66 66 SER CA C 66 62.930 62.930 62.132 0.798 19625
1731 1 3 . 1 1 66 66 SER CB C 66 63.880 63.880 63.188 0.692 19625
1732 1 3 . 1 1 66 66 SER H H 66 8.010 8.010 7.712 0.298 19625
1733 1 3 . 1 1 67 67 LEU N N 67 124.100 124.100 122.721 1.379 19625
1734 1 3 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.379 0.441 19625
1735 1 3 . 1 1 67 67 LEU C C 67 177.790 177.790 177.988 -0.198 19625
1736 1 3 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.183 1.217 19625
1737 1 3 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.520 0.580 19625
1738 1 3 . 1 1 67 67 LEU H H 67 7.830 7.830 7.496 0.334 19625
1739 1 3 . 1 1 68 68 ILE N N 68 118.610 118.610 118.703 -0.093 19625
1740 1 3 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.523 -0.283 19625
1741 1 3 . 1 1 68 68 ILE C C 68 177.730 177.730 177.882 -0.152 19625
1742 1 3 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.651 -1.551 19625
1743 1 3 . 1 1 68 68 ILE CB C 68 35.100 35.100 36.253 -1.153 19625
1744 1 3 . 1 1 68 68 ILE H H 68 8.030 8.030 8.125 -0.095 19625
1745 1 3 . 1 1 69 69 LYS N N 69 120.680 120.680 120.874 -0.194 19625
1746 1 3 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.181 -0.281 19625
1747 1 3 . 1 1 69 69 LYS C C 69 180.050 180.050 179.009 1.041 19625
1748 1 3 . 1 1 69 69 LYS CA C 69 60.800 60.800 60.037 0.763 19625
1749 1 3 . 1 1 69 69 LYS CB C 69 32.600 32.600 32.137 0.463 19625
1750 1 3 . 1 1 69 69 LYS H H 69 7.500 7.500 8.280 -0.780 19625
1751 1 3 . 1 1 70 70 GLU N N 70 118.700 118.700 117.753 0.947 19625
1752 1 3 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.164 -0.104 19625
1753 1 3 . 1 1 70 70 GLU C C 70 178.860 178.860 178.995 -0.135 19625
1754 1 3 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.976 0.524 19625
1755 1 3 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.558 0.142 19625
1756 1 3 . 1 1 70 70 GLU H H 70 7.300 7.300 7.854 -0.554 19625
1757 1 3 . 1 1 71 71 VAL N N 71 121.570 121.570 119.506 2.064 19625
1758 1 3 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.468 0.012 19625
1759 1 3 . 1 1 71 71 VAL C C 71 180.380 180.380 178.662 1.718 19625
1760 1 3 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.213 -0.113 19625
1761 1 3 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.270 0.930 19625
1762 1 3 . 1 1 71 71 VAL H H 71 8.380 8.380 7.461 0.919 19625
1763 1 3 . 1 1 72 72 GLU N N 72 120.090 120.090 120.598 -0.508 19625
1764 1 3 . 1 1 72 72 GLU HA H 72 3.560 3.560 3.989 -0.429 19625
1765 1 3 . 1 1 72 72 GLU C C 72 177.470 177.470 178.550 -1.080 19625
1766 1 3 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.992 1.808 19625
1767 1 3 . 1 1 72 72 GLU CB C 72 30.440 30.440 28.909 1.531 19625
1768 1 3 . 1 1 72 72 GLU H H 72 9.010 9.010 8.577 0.433 19625
1769 1 3 . 1 1 73 73 ALA N N 73 118.560 118.560 121.494 -2.934 19625
1770 1 3 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.123 -0.003 19625
1771 1 3 . 1 1 73 73 ALA C C 73 177.350 177.350 178.129 -0.779 19625
1772 1 3 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.957 0.443 19625
1773 1 3 . 1 1 73 73 ALA CB C 73 20.000 20.000 19.216 0.784 19625
1774 1 3 . 1 1 73 73 ALA H H 73 7.320 7.320 7.550 -0.230 19625
1775 1 3 . 1 1 74 74 GLY N N 74 105.060 105.060 105.733 -0.673 19625
1776 1 3 . 1 1 74 74 GLY C C 74 176.280 176.280 173.843 2.437 19625
1777 1 3 . 1 1 74 74 GLY CA C 74 46.500 46.500 44.917 1.583 19625
1778 1 3 . 1 1 74 74 GLY H H 74 7.690 7.690 7.629 0.061 19625
1779 1 3 . 1 1 75 75 ASN N N 75 115.690 115.690 116.870 -1.180 19625
1780 1 3 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.822 -0.122 19625
1781 1 3 . 1 1 75 75 ASN C C 75 174.100 174.100 175.536 -1.436 19625
1782 1 3 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.441 0.959 19625
1783 1 3 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.531 0.069 19625
1784 1 3 . 1 1 75 75 ASN H H 75 7.710 7.710 8.669 -0.959 19625
1785 1 3 . 1 1 76 76 VAL N N 76 120.710 120.710 124.049 -3.339 19625
1786 1 3 . 1 1 76 76 VAL HA H 76 3.950 3.950 4.114 -0.164 19625
1787 1 3 . 1 1 76 76 VAL C C 76 173.190 173.190 175.297 -2.107 19625
1788 1 3 . 1 1 76 76 VAL CA C 76 62.700 62.700 62.573 0.127 19625
1789 1 3 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.680 3.520 19625
1790 1 3 . 1 1 76 76 VAL H H 76 8.150 8.150 7.172 0.978 19625
1791 1 3 . 1 1 77 77 GLU N N 77 127.930 127.930 126.254 1.676 19625
1792 1 3 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.477 -0.157 19625
1793 1 3 . 1 1 77 77 GLU C C 77 175.850 175.850 175.897 -0.047 19625
1794 1 3 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.699 1.901 19625
1795 1 3 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.321 1.779 19625
1796 1 3 . 1 1 77 77 GLU H H 77 9.040 9.040 9.053 -0.013 19625
1797 1 3 . 1 1 78 78 THR N N 78 115.080 115.080 113.267 1.813 19625
1798 1 3 . 1 1 78 78 THR HA H 78 5.010 5.010 4.551 0.459 19625
1799 1 3 . 1 1 78 78 THR C C 78 170.340 170.340 171.831 -1.491 19625
1800 1 3 . 1 1 78 78 THR CA C 78 61.500 61.500 61.450 0.050 19625
1801 1 3 . 1 1 78 78 THR CB C 78 72.100 72.100 71.766 0.334 19625
1802 1 3 . 1 1 78 78 THR H H 78 7.150 7.150 7.255 -0.105 19625
1803 1 3 . 1 1 79 79 LEU N N 79 130.190 130.190 125.585 4.605 19625
1804 1 3 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.870 0.240 19625
1805 1 3 . 1 1 79 79 LEU C C 79 172.640 172.640 174.048 -1.408 19625
1806 1 3 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.195 1.005 19625
1807 1 3 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.378 1.922 19625
1808 1 3 . 1 1 79 79 LEU H H 79 8.810 8.810 8.457 0.353 19625
1809 1 3 . 1 1 80 80 ILE N N 80 125.290 125.290 127.462 -2.172 19625
1810 1 3 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.181 0.710 19625
1811 1 3 . 1 1 80 80 ILE C C 80 174.260 174.260 173.967 0.293 19625
1812 1 3 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.238 0.262 19625
1813 1 3 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.286 1.314 19625
1814 1 3 . 1 1 80 80 ILE H H 80 8.760 8.760 9.213 -0.453 19625
1815 1 3 . 1 1 81 81 VAL N N 81 114.530 114.530 125.568 -11.038 19625
1816 1 3 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.829 0.081 19625
1817 1 3 . 1 1 81 81 VAL C C 81 175.310 175.310 176.260 -0.950 19625
1818 1 3 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.914 -0.814 19625
1819 1 3 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.805 1.795 19625
1820 1 3 . 1 1 81 81 VAL H H 81 8.030 8.030 8.841 -0.811 19625
1821 1 3 . 1 1 82 82 LYS N N 82 122.730 122.730 121.796 0.934 19625
1822 1 3 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.050 -0.400 19625
1823 1 3 . 1 1 82 82 LYS C C 82 174.470 174.470 175.291 -0.821 19625
1824 1 3 . 1 1 82 82 LYS CA C 82 61.500 61.500 58.448 3.052 19625
1825 1 3 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.816 1.484 19625
1826 1 3 . 1 1 82 82 LYS H H 82 9.540 9.540 9.058 0.482 19625
1827 1 3 . 1 1 83 83 ASP N N 83 108.020 108.020 111.434 -3.414 19625
1828 1 3 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.704 -0.144 19625
1829 1 3 . 1 1 83 83 ASP C C 83 175.310 175.310 176.693 -1.383 19625
1830 1 3 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.389 0.411 19625
1831 1 3 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.526 1.874 19625
1832 1 3 . 1 1 83 83 ASP H H 83 7.080 7.080 7.718 -0.638 19625
1833 1 3 . 1 1 84 84 MET N N 84 120.990 120.990 119.193 1.797 19625
1834 1 3 . 1 1 84 84 MET HA H 84 4.190 4.190 4.447 -0.257 19625
1835 1 3 . 1 1 84 84 MET C C 84 177.910 177.910 177.383 0.527 19625
1836 1 3 . 1 1 84 84 MET CA C 84 59.000 59.000 57.183 1.817 19625
1837 1 3 . 1 1 84 84 MET CB C 84 32.460 32.460 31.635 0.825 19625
1838 1 3 . 1 1 84 84 MET H H 84 9.290 9.290 8.788 0.502 19625
1839 1 3 . 1 1 85 85 SER N N 85 113.930 113.930 115.930 -2.000 19625
1840 1 3 . 1 1 85 85 SER HA H 85 4.310 4.310 4.258 0.052 19625
1841 1 3 . 1 1 85 85 SER C C 85 177.010 177.010 176.347 0.663 19625
1842 1 3 . 1 1 85 85 SER CA C 85 61.700 61.700 61.377 0.323 19625
1843 1 3 . 1 1 85 85 SER CB C 85 63.900 63.900 63.017 0.882 19625
1844 1 3 . 1 1 85 85 SER H H 85 8.520 8.520 8.052 0.468 19625
1845 1 3 . 1 1 86 86 ARG N N 86 120.920 120.920 121.850 -0.930 19625
1846 1 3 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.061 -0.341 19625
1847 1 3 . 1 1 86 86 ARG C C 86 179.510 179.510 178.113 1.397 19625
1848 1 3 . 1 1 86 86 ARG CA C 86 59.360 59.360 59.017 0.343 19625
1849 1 3 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.021 3.559 19625
1850 1 3 . 1 1 86 86 ARG H H 86 7.990 7.990 7.694 0.296 19625
1851 1 3 . 1 1 87 87 LEU N N 87 117.290 117.290 116.793 0.497 19625
1852 1 3 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.843 0.067 19625
1853 1 3 . 1 1 87 87 LEU C C 87 177.080 177.080 176.718 0.362 19625
1854 1 3 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.689 2.411 19625
1855 1 3 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.525 1.175 19625
1856 1 3 . 1 1 87 87 LEU H H 87 7.400 7.400 8.356 -0.956 19625
1857 1 3 . 1 1 88 88 GLY N N 88 102.420 102.420 103.874 -1.454 19625
1858 1 3 . 1 1 88 88 GLY C C 88 169.840 169.840 173.480 -3.640 19625
1859 1 3 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.405 1.795 19625
1860 1 3 . 1 1 88 88 GLY H H 88 7.430 7.430 7.495 -0.065 19625
1861 1 3 . 1 1 89 89 ARG N N 89 115.910 115.910 119.017 -3.107 19625
1862 1 3 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.158 -0.118 19625
1863 1 3 . 1 1 89 89 ARG C C 89 177.540 177.540 176.494 1.046 19625
1864 1 3 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.152 -0.152 19625
1865 1 3 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.343 2.267 19625
1866 1 3 . 1 1 89 89 ARG H H 89 7.160 7.160 8.492 -1.332 19625
1867 1 3 . 1 1 90 90 ASN N N 90 117.420 117.420 120.834 -3.414 19625
1868 1 3 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.556 0.064 19625
1869 1 3 . 1 1 90 90 ASN C C 90 175.420 175.420 175.554 -0.134 19625
1870 1 3 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.579 -0.229 19625
1871 1 3 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.385 2.075 19625
1872 1 3 . 1 1 90 90 ASN H H 90 7.930 7.930 8.514 -0.584 19625
1873 1 3 . 1 1 91 91 TYR N N 91 126.420 126.420 125.354 1.066 19625
1874 1 3 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.205 -0.215 19625
1875 1 3 . 1 1 91 91 TYR C C 91 177.470 177.470 176.766 0.704 19625
1876 1 3 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.431 0.539 19625
1877 1 3 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.588 -0.298 19625
1878 1 3 . 1 1 91 91 TYR H H 91 8.590 8.590 8.361 0.229 19625
1879 1 3 . 1 1 92 92 LEU N N 92 121.090 121.090 120.107 0.983 19625
1880 1 3 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.889 -0.049 19625
1881 1 3 . 1 1 92 92 LEU C C 92 179.580 179.580 178.632 0.948 19625
1882 1 3 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.609 -0.110 19625
1883 1 3 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.067 1.133 19625
1884 1 3 . 1 1 92 92 LEU H H 92 7.860 7.860 8.157 -0.297 19625
1885 1 3 . 1 1 93 93 GLN N N 93 117.490 117.490 118.141 -0.651 19625
1886 1 3 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.859 0.081 19625
1887 1 3 . 1 1 93 93 GLN C C 93 178.630 178.630 178.858 -0.228 19625
1888 1 3 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.348 0.452 19625
1889 1 3 . 1 1 93 93 GLN CB C 93 30.100 30.100 27.896 2.204 19625
1890 1 3 . 1 1 93 93 GLN H H 93 7.350 7.350 7.803 -0.453 19625
1891 1 3 . 1 1 94 94 VAL N N 94 118.580 118.580 119.107 -0.527 19625
1892 1 3 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.005 -0.485 19625
1893 1 3 . 1 1 94 94 VAL C C 94 177.420 177.420 177.856 -0.436 19625
1894 1 3 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.381 1.119 19625
1895 1 3 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.199 1.601 19625
1896 1 3 . 1 1 94 94 VAL H H 94 8.230 8.230 8.525 -0.295 19625
1897 1 3 . 1 1 95 95 GLY N N 95 106.450 106.450 107.716 -1.266 19625
1898 1 3 . 1 1 95 95 GLY C C 95 174.810 174.810 175.463 -0.653 19625
1899 1 3 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.597 0.203 19625
1900 1 3 . 1 1 95 95 GLY H H 95 7.760 7.760 7.727 0.033 19625
1901 1 3 . 1 1 96 96 PHE N N 96 120.590 120.590 123.103 -2.513 19625
1902 1 3 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.844 -0.054 19625
1903 1 3 . 1 1 96 96 PHE C C 96 176.780 176.780 176.486 0.294 19625
1904 1 3 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.920 1.180 19625
1905 1 3 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.661 0.639 19625
1906 1 3 . 1 1 96 96 PHE H H 96 7.000 7.000 8.009 -1.009 19625
1907 1 3 . 1 1 97 97 TYR N N 97 116.700 116.700 116.650 0.050 19625
1908 1 3 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.855 -0.925 19625
1909 1 3 . 1 1 97 97 TYR C C 97 175.500 175.500 177.569 -2.069 19625
1910 1 3 . 1 1 97 97 TYR CA C 97 62.700 62.700 61.232 1.468 19625
1911 1 3 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.880 -0.080 19625
1912 1 3 . 1 1 97 97 TYR H H 97 7.030 7.030 7.767 -0.737 19625
1913 1 3 . 1 1 98 98 THR N N 98 104.710 104.710 108.741 -4.031 19625
1914 1 3 . 1 1 98 98 THR HA H 98 3.390 3.390 3.657 -0.267 19625
1915 1 3 . 1 1 98 98 THR C C 98 176.830 176.830 176.085 0.745 19625
1916 1 3 . 1 1 98 98 THR CA C 98 65.200 65.200 64.330 0.870 19625
1917 1 3 . 1 1 98 98 THR CB C 98 68.800 68.800 68.699 0.101 19625
1918 1 3 . 1 1 98 98 THR H H 98 7.540 7.540 7.466 0.074 19625
1919 1 3 . 1 1 99 99 GLU N N 99 116.670 116.670 119.873 -3.203 19625
1920 1 3 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.340 -0.130 19625
1921 1 3 . 1 1 99 99 GLU C C 99 176.820 176.820 176.612 0.208 19625
1922 1 3 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.697 -0.497 19625
1923 1 3 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.898 -0.198 19625
1924 1 3 . 1 1 99 99 GLU H H 99 8.390 8.390 8.178 0.212 19625
1925 1 3 . 1 1 100 100 VAL N N 100 117.330 117.330 118.827 -1.497 19625
1926 1 3 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.979 -0.159 19625
1927 1 3 . 1 1 100 100 VAL C C 100 176.200 176.200 176.794 -0.594 19625
1928 1 3 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.221 1.779 19625
1929 1 3 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.842 -0.142 19625
1930 1 3 . 1 1 100 100 VAL H H 100 6.590 6.590 7.471 -0.881 19625
1931 1 3 . 1 1 101 101 LEU N N 101 120.390 120.390 121.279 -0.889 19625
1932 1 3 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.959 -0.339 19625
1933 1 3 . 1 1 101 101 LEU C C 101 177.510 177.510 179.384 -1.874 19625
1934 1 3 . 1 1 101 101 LEU CA C 101 59.700 59.700 58.068 1.633 19625
1935 1 3 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.348 1.762 19625
1936 1 3 . 1 1 101 101 LEU H H 101 7.180 7.180 7.865 -0.685 19625
1937 1 3 . 1 1 102 102 PHE N N 102 114.030 114.030 117.100 -3.070 19625
1938 1 3 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.517 -0.167 19625
1939 1 3 . 1 1 102 102 PHE CA C 102 59.610 59.610 59.784 -0.174 19625
1940 1 3 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.336 -1.565 19625
1941 1 3 . 1 1 102 102 PHE H H 102 8.660 8.660 8.949 -0.289 19625
1942 1 3 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.126 0.104 19625
1943 1 3 . 1 1 103 103 PRO C C 103 180.710 180.710 178.697 2.013 19625
1944 1 3 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.028 0.772 19625
1945 1 3 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.066 0.594 19625
1946 1 3 . 1 1 104 104 GLN N N 104 117.110 117.110 116.528 0.582 19625
1947 1 3 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.062 -0.182 19625
1948 1 3 . 1 1 104 104 GLN C C 104 177.700 177.700 177.331 0.369 19625
1949 1 3 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.162 1.538 19625
1950 1 3 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.290 1.110 19625
1951 1 3 . 1 1 104 104 GLN H H 104 7.290 7.290 8.020 -0.730 19625
1952 1 3 . 1 1 105 105 LYS N N 105 115.380 115.380 114.042 1.338 19625
1953 1 3 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.512 -0.192 19625
1954 1 3 . 1 1 105 105 LYS C C 105 174.880 174.880 175.799 -0.919 19625
1955 1 3 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.805 -1.005 19625
1956 1 3 . 1 1 105 105 LYS CB C 105 31.700 31.700 33.454 -1.754 19625
1957 1 3 . 1 1 105 105 LYS H H 105 7.650 7.650 7.966 -0.316 19625
1958 1 3 . 1 1 106 106 ASN N N 106 116.100 116.100 117.647 -1.547 19625
1959 1 3 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.327 -0.187 19625
1960 1 3 . 1 1 106 106 ASN C C 106 173.400 173.400 173.250 0.150 19625
1961 1 3 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.787 1.413 19625
1962 1 3 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.160 -0.360 19625
1963 1 3 . 1 1 106 106 ASN H H 106 7.730 7.730 7.904 -0.174 19625
1964 1 3 . 1 1 107 107 VAL N N 107 119.060 119.060 121.969 -2.909 19625
1965 1 3 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.479 -0.749 19625
1966 1 3 . 1 1 107 107 VAL C C 107 175.280 175.280 175.312 -0.032 19625
1967 1 3 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.073 2.027 19625
1968 1 3 . 1 1 107 107 VAL CB C 107 34.200 34.200 35.022 -0.822 19625
1969 1 3 . 1 1 107 107 VAL H H 107 7.970 7.970 8.371 -0.401 19625
1970 1 3 . 1 1 108 108 ARG N N 108 129.920 129.920 127.196 2.724 19625
1971 1 3 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.664 -0.494 19625
1972 1 3 . 1 1 108 108 ARG C C 108 173.020 173.020 174.892 -1.872 19625
1973 1 3 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.439 2.251 19625
1974 1 3 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.520 0.580 19625
1975 1 3 . 1 1 108 108 ARG H H 108 8.230 8.230 8.473 -0.243 19625
1976 1 3 . 1 1 109 109 PHE N N 109 129.390 129.390 125.040 4.350 19625
1977 1 3 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.945 0.165 19625
1978 1 3 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.532 -1.403 19625
1979 1 3 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.115 1.775 19625
1980 1 3 . 1 1 109 109 PHE H H 109 8.550 8.550 8.833 -0.283 19625
1981 1 3 . 1 1 110 110 LEU N N 110 130.220 130.220 126.852 3.368 19625
1982 1 3 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.860 -0.770 19625
1983 1 3 . 1 1 110 110 LEU C C 110 172.360 172.360 173.921 -1.561 19625
1984 1 3 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.896 0.714 19625
1985 1 3 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.703 0.997 19625
1986 1 3 . 1 1 110 110 LEU H H 110 8.290 8.290 8.837 -0.547 19625
1987 1 3 . 1 1 111 111 ALA N N 111 123.890 123.890 130.090 -6.200 19625
1988 1 3 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.980 -0.400 19625
1989 1 3 . 1 1 111 111 ALA C C 111 177.470 177.470 177.681 -0.211 19625
1990 1 3 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.966 -1.166 19625
1991 1 3 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.879 0.121 19625
1992 1 3 . 1 1 111 111 ALA H H 111 7.590 7.590 8.611 -1.021 19625
1993 1 3 . 1 1 112 112 ILE N N 112 121.690 121.690 124.253 -2.563 19625
1994 1 3 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.673 -0.533 19625
1995 1 3 . 1 1 112 112 ILE C C 112 177.350 177.350 177.091 0.259 19625
1996 1 3 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.396 1.904 19625
1997 1 3 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.428 0.612 19625
1998 1 3 . 1 1 112 112 ILE H H 112 7.700 7.700 8.380 -0.680 19625
1999 1 3 . 1 1 113 113 ASN N N 113 116.220 116.220 117.720 -1.500 19625
2000 1 3 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.851 -0.111 19625
2001 1 3 . 1 1 113 113 ASN C C 113 175.110 175.110 174.110 1.000 19625
2002 1 3 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.141 0.469 19625
2003 1 3 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.975 0.685 19625
2004 1 3 . 1 1 113 113 ASN H H 113 8.350 8.350 8.423 -0.073 19625
2005 1 3 . 1 1 114 114 ASN N N 114 118.560 118.560 116.449 2.111 19625
2006 1 3 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.740 -0.140 19625
2007 1 3 . 1 1 114 114 ASN C C 114 174.870 174.870 173.500 1.370 19625
2008 1 3 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.062 1.278 19625
2009 1 3 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.430 0.170 19625
2010 1 3 . 1 1 114 114 ASN H H 114 8.110 8.110 7.561 0.549 19625
2011 1 3 . 1 1 115 115 SER N N 115 114.600 114.600 116.777 -2.177 19625
2012 1 3 . 1 1 115 115 SER HA H 115 4.320 4.320 4.500 -0.180 19625
2013 1 3 . 1 1 115 115 SER C C 115 174.120 174.120 174.715 -0.595 19625
2014 1 3 . 1 1 115 115 SER CA C 115 59.260 59.260 58.726 0.534 19625
2015 1 3 . 1 1 115 115 SER CB C 115 64.200 64.200 62.975 1.225 19625
2016 1 3 . 1 1 115 115 SER H H 115 8.010 8.010 8.662 -0.652 19625
2017 1 3 . 1 1 116 116 ILE N N 116 121.020 121.020 126.433 -5.413 19625
2018 1 3 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.873 0.147 19625
2019 1 3 . 1 1 116 116 ILE C C 116 175.590 175.590 176.250 -0.660 19625
2020 1 3 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.397 -1.206 19625
2021 1 3 . 1 1 116 116 ILE CB C 116 39.900 39.900 37.938 1.962 19625
2022 1 3 . 1 1 116 116 ILE H H 116 7.920 7.920 8.732 -0.812 19625
2023 1 3 . 1 1 117 117 ASP N N 117 124.190 124.190 115.143 9.047 19625
2024 1 3 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.861 -0.271 19625
2025 1 3 . 1 1 117 117 ASP C C 117 174.870 174.870 175.617 -0.747 19625
2026 1 3 . 1 1 117 117 ASP CA C 117 54.780 54.780 54.334 0.446 19625
2027 1 3 . 1 1 117 117 ASP CB C 117 42.490 42.490 42.003 0.487 19625
2028 1 3 . 1 1 117 117 ASP H H 117 8.160 8.160 8.142 0.018 19625
2029 1 3 . 1 1 118 118 SER N N 118 116.920 116.920 113.429 3.491 19625
2030 1 3 . 1 1 118 118 SER HA H 118 4.250 4.250 4.682 -0.432 19625
2031 1 3 . 1 1 118 118 SER C C 118 174.260 174.260 172.904 1.356 19625
2032 1 3 . 1 1 118 118 SER CA C 118 59.770 59.770 58.420 1.350 19625
2033 1 3 . 1 1 118 118 SER CB C 118 64.500 64.500 65.418 -0.919 19625
2034 1 3 . 1 1 118 118 SER H H 118 8.220 8.220 8.192 0.028 19625
2035 1 3 . 1 1 119 119 ASN N N 119 120.830 120.830 119.354 1.476 19625
2036 1 3 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.774 -0.194 19625
2037 1 3 . 1 1 119 119 ASN C C 119 174.120 174.120 174.278 -0.158 19625
2038 1 3 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.327 0.873 19625
2039 1 3 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.047 0.653 19625
2040 1 3 . 1 1 119 119 ASN H H 119 8.330 8.330 8.629 -0.299 19625
2041 1 4 . 1 1 2 2 SER HA H 2 4.320 4.320 4.904 -0.584 19625
2042 1 4 . 1 1 2 2 SER C C 2 174.400 174.400 174.266 0.134 19625
2043 1 4 . 1 1 2 2 SER CA C 2 59.200 59.200 57.669 1.531 19625
2044 1 4 . 1 1 2 2 SER CB C 2 64.800 64.800 65.406 -0.606 19625
2045 1 4 . 1 1 3 3 ARG N N 3 123.220 123.220 120.560 2.660 19625
2046 1 4 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.757 -0.527 19625
2047 1 4 . 1 1 3 3 ARG C C 3 176.320 176.320 175.699 0.621 19625
2048 1 4 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.654 0.646 19625
2049 1 4 . 1 1 3 3 ARG CB C 3 31.600 31.600 31.185 0.415 19625
2050 1 4 . 1 1 3 3 ARG H H 3 8.590 8.590 8.725 -0.135 19625
2051 1 4 . 1 1 4 4 THR N N 4 114.540 114.540 111.529 3.011 19625
2052 1 4 . 1 1 4 4 THR HA H 4 4.270 4.270 4.513 -0.243 19625
2053 1 4 . 1 1 4 4 THR C C 4 173.880 173.880 173.164 0.716 19625
2054 1 4 . 1 1 4 4 THR CA C 4 62.200 62.200 61.503 0.697 19625
2055 1 4 . 1 1 4 4 THR CB C 4 70.700 70.700 70.042 0.658 19625
2056 1 4 . 1 1 4 4 THR H H 4 8.090 8.090 7.733 0.357 19625
2057 1 4 . 1 1 5 5 SER N N 5 117.410 117.410 118.521 -1.111 19625
2058 1 4 . 1 1 5 5 SER HA H 5 4.320 4.320 4.366 -0.046 19625
2059 1 4 . 1 1 5 5 SER C C 5 174.020 174.020 174.604 -0.584 19625
2060 1 4 . 1 1 5 5 SER CA C 5 58.900 58.900 58.566 0.334 19625
2061 1 4 . 1 1 5 5 SER CB C 5 64.700 64.700 63.550 1.149 19625
2062 1 4 . 1 1 5 5 SER H H 5 8.100 8.100 8.608 -0.508 19625
2063 1 4 . 1 1 6 6 ARG N N 6 122.330 122.330 122.210 0.120 19625
2064 1 4 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.294 -0.004 19625
2065 1 4 . 1 1 6 6 ARG C C 6 176.850 176.850 175.241 1.609 19625
2066 1 4 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.822 1.578 19625
2067 1 4 . 1 1 6 6 ARG CB C 6 33.400 33.400 31.272 2.128 19625
2068 1 4 . 1 1 6 6 ARG H H 6 8.100 8.100 8.150 -0.050 19625
2069 1 4 . 1 1 7 7 ILE N N 7 115.270 115.270 113.397 1.873 19625
2070 1 4 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.548 0.022 19625
2071 1 4 . 1 1 7 7 ILE C C 7 177.060 177.060 173.951 3.109 19625
2072 1 4 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.255 1.975 19625
2073 1 4 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.747 0.433 19625
2074 1 4 . 1 1 7 7 ILE H H 7 8.550 8.550 8.703 -0.153 19625
2075 1 4 . 1 1 8 8 THR N N 8 120.840 120.840 118.461 2.379 19625
2076 1 4 . 1 1 8 8 THR HA H 8 4.420 4.420 4.711 -0.291 19625
2077 1 4 . 1 1 8 8 THR C C 8 172.530 172.530 173.401 -0.871 19625
2078 1 4 . 1 1 8 8 THR CA C 8 63.100 63.100 61.290 1.810 19625
2079 1 4 . 1 1 8 8 THR CB C 8 69.000 69.000 70.445 -1.445 19625
2080 1 4 . 1 1 8 8 THR H H 8 8.030 8.030 7.902 0.128 19625
2081 1 4 . 1 1 9 9 ALA N N 9 129.200 129.200 127.909 1.291 19625
2082 1 4 . 1 1 9 9 ALA HA H 9 4.780 4.780 4.970 -0.190 19625
2083 1 4 . 1 1 9 9 ALA C C 9 173.980 173.980 174.788 -0.808 19625
2084 1 4 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.454 0.846 19625
2085 1 4 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.338 2.062 19625
2086 1 4 . 1 1 9 9 ALA H H 9 9.210 9.210 8.934 0.277 19625
2087 1 4 . 1 1 10 10 LEU N N 10 124.830 124.830 127.642 -2.812 19625
2088 1 4 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.077 -0.247 19625
2089 1 4 . 1 1 10 10 LEU C C 10 174.400 174.400 174.495 -0.095 19625
2090 1 4 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.989 -0.189 19625
2091 1 4 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.229 -2.729 19625
2092 1 4 . 1 1 10 10 LEU H H 10 8.720 8.720 8.960 -0.240 19625
2093 1 4 . 1 1 11 11 TYR N N 11 122.470 122.470 127.830 -5.360 19625
2094 1 4 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.598 0.232 19625
2095 1 4 . 1 1 11 11 TYR C C 11 174.120 174.120 173.278 0.842 19625
2096 1 4 . 1 1 11 11 TYR CA C 11 57.100 57.100 56.293 0.807 19625
2097 1 4 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.831 -0.331 19625
2098 1 4 . 1 1 11 11 TYR H H 11 8.000 8.000 8.642 -0.642 19625
2099 1 4 . 1 1 12 12 GLU N N 12 121.360 121.360 125.824 -4.464 19625
2100 1 4 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.827 -0.627 19625
2101 1 4 . 1 1 12 12 GLU C C 12 172.720 172.720 173.760 -1.040 19625
2102 1 4 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.744 0.956 19625
2103 1 4 . 1 1 12 12 GLU CB C 12 30.400 30.400 34.811 -4.411 19625
2104 1 4 . 1 1 12 12 GLU H H 12 7.870 7.870 7.952 -0.082 19625
2105 1 4 . 1 1 13 13 ARG N N 13 118.180 118.180 121.198 -3.018 19625
2106 1 4 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.462 0.408 19625
2107 1 4 . 1 1 13 13 ARG C C 13 174.680 174.680 174.275 0.405 19625
2108 1 4 . 1 1 13 13 ARG CA C 13 55.800 55.800 54.935 0.865 19625
2109 1 4 . 1 1 13 13 ARG CB C 13 35.360 35.360 31.861 3.499 19625
2110 1 4 . 1 1 13 13 ARG H H 13 7.290 7.290 8.501 -1.211 19625
2111 1 4 . 1 1 14 14 LEU N N 14 131.070 131.070 123.274 7.796 19625
2112 1 4 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.705 -0.315 19625
2113 1 4 . 1 1 14 14 LEU C C 14 172.930 172.930 175.551 -2.621 19625
2114 1 4 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.404 2.996 19625
2115 1 4 . 1 1 14 14 LEU CB C 14 47.800 47.800 43.621 4.179 19625
2116 1 4 . 1 1 14 14 LEU H H 14 8.010 8.010 8.429 -0.419 19625
2117 1 4 . 1 1 15 15 SER N N 15 118.940 118.940 117.909 1.031 19625
2118 1 4 . 1 1 15 15 SER HA H 15 4.520 4.520 4.462 0.058 19625
2119 1 4 . 1 1 15 15 SER C C 15 175.380 175.380 175.007 0.373 19625
2120 1 4 . 1 1 15 15 SER CA C 15 58.300 58.300 58.110 0.190 19625
2121 1 4 . 1 1 15 15 SER CB C 15 65.300 65.300 64.165 1.135 19625
2122 1 4 . 1 1 15 15 SER H H 15 8.580 8.580 8.228 0.352 19625
2123 1 4 . 1 1 16 16 ARG N N 16 123.190 123.190 127.638 -4.448 19625
2124 1 4 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.254 -0.294 19625
2125 1 4 . 1 1 16 16 ARG C C 16 177.410 177.410 176.678 0.732 19625
2126 1 4 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.191 2.309 19625
2127 1 4 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.263 0.137 19625
2128 1 4 . 1 1 16 16 ARG H H 16 8.980 8.980 8.882 0.098 19625
2129 1 4 . 1 1 17 17 ASP N N 17 115.110 115.110 118.400 -3.290 19625
2130 1 4 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.490 -0.190 19625
2131 1 4 . 1 1 17 17 ASP C C 17 176.090 176.090 175.720 0.370 19625
2132 1 4 . 1 1 17 17 ASP CA C 17 54.600 54.600 55.453 -0.853 19625
2133 1 4 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.690 -0.590 19625
2134 1 4 . 1 1 17 17 ASP H H 17 8.160 8.160 7.957 0.203 19625
2135 1 4 . 1 1 18 18 ASP N N 18 119.390 119.390 118.594 0.796 19625
2136 1 4 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.358 -0.058 19625
2137 1 4 . 1 1 18 18 ASP C C 18 175.750 175.750 175.436 0.314 19625
2138 1 4 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.805 1.495 19625
2139 1 4 . 1 1 18 18 ASP CB C 18 42.740 42.740 40.349 2.391 19625
2140 1 4 . 1 1 18 18 ASP H H 18 7.240 7.240 7.745 -0.505 19625
2141 1 4 . 1 1 19 19 ASP N N 19 117.850 117.850 116.043 1.807 19625
2142 1 4 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.551 -0.321 19625
2143 1 4 . 1 1 19 19 ASP C C 19 175.300 175.300 175.797 -0.497 19625
2144 1 4 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.503 1.527 19625
2145 1 4 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.736 0.325 19625
2146 1 4 . 1 1 19 19 ASP H H 19 8.000 8.000 8.573 -0.573 19625
2147 1 4 . 1 1 20 20 LEU N N 20 120.230 120.230 117.793 2.437 19625
2148 1 4 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.675 -0.295 19625
2149 1 4 . 1 1 20 20 LEU C C 20 176.830 176.830 177.050 -0.220 19625
2150 1 4 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.029 0.071 19625
2151 1 4 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.590 0.890 19625
2152 1 4 . 1 1 20 20 LEU H H 20 7.960 7.960 7.506 0.454 19625
2153 1 4 . 1 1 21 21 THR N N 21 113.040 113.040 113.502 -0.462 19625
2154 1 4 . 1 1 21 21 THR HA H 21 4.290 4.290 4.042 0.248 19625
2155 1 4 . 1 1 21 21 THR C C 21 174.900 174.900 173.980 0.920 19625
2156 1 4 . 1 1 21 21 THR CA C 21 61.970 61.970 63.189 -1.219 19625
2157 1 4 . 1 1 21 21 THR CB C 21 71.200 71.200 67.206 3.994 19625
2158 1 4 . 1 1 21 21 THR H H 21 8.070 8.070 7.972 0.098 19625
2159 1 4 . 1 1 22 22 GLY N N 22 110.100 110.100 113.576 -3.476 19625
2160 1 4 . 1 1 22 22 GLY C C 22 175.110 175.110 173.398 1.712 19625
2161 1 4 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.171 0.799 19625
2162 1 4 . 1 1 22 22 GLY H H 22 8.230 8.230 8.022 0.208 19625
2163 1 4 . 1 1 23 23 GLU N N 23 121.940 121.940 121.484 0.456 19625
2164 1 4 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.492 -0.492 19625
2165 1 4 . 1 1 23 23 GLU C C 23 178.200 178.200 178.607 -0.407 19625
2166 1 4 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.973 0.927 19625
2167 1 4 . 1 1 23 23 GLU CB C 23 30.600 30.600 30.380 0.220 19625
2168 1 4 . 1 1 23 23 GLU H H 23 8.550 8.550 8.440 0.110 19625
2169 1 4 . 1 1 24 24 SER N N 24 114.930 114.930 113.911 1.019 19625
2170 1 4 . 1 1 24 24 SER HA H 24 3.990 3.990 4.153 -0.163 19625
2171 1 4 . 1 1 24 24 SER C C 24 174.000 174.000 174.966 -0.966 19625
2172 1 4 . 1 1 24 24 SER CA C 24 61.610 61.610 61.339 0.271 19625
2173 1 4 . 1 1 24 24 SER CB C 24 63.600 63.600 63.024 0.576 19625
2174 1 4 . 1 1 24 24 SER H H 24 8.290 8.290 8.373 -0.083 19625
2175 1 4 . 1 1 25 25 ASN N N 25 117.820 117.820 116.063 1.757 19625
2176 1 4 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.734 -0.004 19625
2177 1 4 . 1 1 25 25 ASN C C 25 174.380 174.380 173.936 0.444 19625
2178 1 4 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.292 0.808 19625
2179 1 4 . 1 1 25 25 ASN CB C 25 40.800 40.800 37.617 3.183 19625
2180 1 4 . 1 1 25 25 ASN H H 25 7.620 7.620 8.345 -0.725 19625
2181 1 4 . 1 1 26 26 SER N N 26 115.050 115.050 114.100 0.950 19625
2182 1 4 . 1 1 26 26 SER HA H 26 4.140 4.140 4.570 -0.430 19625
2183 1 4 . 1 1 26 26 SER C C 26 174.660 174.660 174.179 0.481 19625
2184 1 4 . 1 1 26 26 SER CA C 26 58.500 58.500 57.576 0.924 19625
2185 1 4 . 1 1 26 26 SER CB C 26 65.000 65.000 65.198 -0.198 19625
2186 1 4 . 1 1 26 26 SER H H 26 7.510 7.510 7.704 -0.194 19625
2187 1 4 . 1 1 27 27 ILE N N 27 124.200 124.200 125.115 -0.915 19625
2188 1 4 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.711 -0.251 19625
2189 1 4 . 1 1 27 27 ILE C C 27 177.540 177.540 177.741 -0.201 19625
2190 1 4 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.981 -1.541 19625
2191 1 4 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.347 -0.947 19625
2192 1 4 . 1 1 27 27 ILE H H 27 8.960 8.960 8.569 0.391 19625
2193 1 4 . 1 1 28 28 THR N N 28 114.810 114.810 113.672 1.138 19625
2194 1 4 . 1 1 28 28 THR HA H 28 3.510 3.510 3.963 -0.453 19625
2195 1 4 . 1 1 28 28 THR C C 28 176.210 176.210 176.881 -0.671 19625
2196 1 4 . 1 1 28 28 THR CA C 28 67.300 67.300 66.032 1.268 19625
2197 1 4 . 1 1 28 28 THR CB C 28 69.240 69.240 68.270 0.970 19625
2198 1 4 . 1 1 28 28 THR H H 28 8.030 8.030 8.087 -0.057 19625
2199 1 4 . 1 1 29 29 ASN N N 29 120.670 120.670 119.225 1.445 19625
2200 1 4 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.465 -0.065 19625
2201 1 4 . 1 1 29 29 ASN C C 29 175.110 175.110 177.632 -2.522 19625
2202 1 4 . 1 1 29 29 ASN CA C 29 57.100 57.100 57.405 -0.305 19625
2203 1 4 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.060 0.639 19625
2204 1 4 . 1 1 29 29 ASN H H 29 7.640 7.640 8.192 -0.552 19625
2205 1 4 . 1 1 30 30 GLN N N 30 122.180 122.180 119.522 2.658 19625
2206 1 4 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.083 -0.233 19625
2207 1 4 . 1 1 30 30 GLN CA C 30 61.510 61.510 59.029 2.481 19625
2208 1 4 . 1 1 30 30 GLN CB C 30 32.060 32.060 28.305 3.755 19625
2209 1 4 . 1 1 30 30 GLN H H 30 8.620 8.620 8.043 0.577 19625
2210 1 4 . 1 1 31 31 LYS N N 31 116.860 116.860 120.152 -3.292 19625
2211 1 4 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.162 -0.332 19625
2212 1 4 . 1 1 31 31 LYS C C 31 178.370 178.370 179.496 -1.126 19625
2213 1 4 . 1 1 31 31 LYS CA C 31 61.300 61.300 60.077 1.224 19625
2214 1 4 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.109 1.471 19625
2215 1 4 . 1 1 31 31 LYS H H 31 8.230 8.230 7.831 0.399 19625
2216 1 4 . 1 1 32 32 LYS N N 32 117.720 117.720 119.261 -1.541 19625
2217 1 4 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.070 -0.220 19625
2218 1 4 . 1 1 32 32 LYS C C 32 177.840 177.840 178.919 -1.079 19625
2219 1 4 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.456 0.744 19625
2220 1 4 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.334 1.166 19625
2221 1 4 . 1 1 32 32 LYS H H 32 7.470 7.470 7.838 -0.368 19625
2222 1 4 . 1 1 33 33 TYR N N 33 120.230 120.230 121.841 -1.611 19625
2223 1 4 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.123 0.017 19625
2224 1 4 . 1 1 33 33 TYR C C 33 178.990 178.990 177.790 1.200 19625
2225 1 4 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.050 -0.150 19625
2226 1 4 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.397 1.853 19625
2227 1 4 . 1 1 33 33 TYR H H 33 8.210 8.210 7.793 0.417 19625
2228 1 4 . 1 1 34 34 LEU N N 34 117.680 117.680 117.904 -0.224 19625
2229 1 4 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.871 -0.091 19625
2230 1 4 . 1 1 34 34 LEU C C 34 178.370 178.370 179.294 -0.924 19625
2231 1 4 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.062 1.938 19625
2232 1 4 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.325 2.675 19625
2233 1 4 . 1 1 34 34 LEU H H 34 8.270 8.270 8.062 0.208 19625
2234 1 4 . 1 1 35 35 GLU N N 35 120.040 120.040 120.237 -0.197 19625
2235 1 4 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.952 -0.352 19625
2236 1 4 . 1 1 35 35 GLU C C 35 178.480 178.480 178.949 -0.469 19625
2237 1 4 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.119 1.381 19625
2238 1 4 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.529 0.871 19625
2239 1 4 . 1 1 35 35 GLU H H 35 8.490 8.490 8.192 0.298 19625
2240 1 4 . 1 1 36 36 ASP N N 36 119.540 119.540 118.303 1.237 19625
2241 1 4 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.367 -0.167 19625
2242 1 4 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.422 0.978 19625
2243 1 4 . 1 1 36 36 ASP CB C 36 41.400 41.400 41.003 0.397 19625
2244 1 4 . 1 1 36 36 ASP H H 36 8.410 8.410 8.488 -0.078 19625
2245 1 4 . 1 1 37 37 TYR N N 37 120.120 120.120 121.083 -0.963 19625
2246 1 4 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.123 -0.543 19625
2247 1 4 . 1 1 37 37 TYR C C 37 178.270 178.270 176.797 1.473 19625
2248 1 4 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.151 1.849 19625
2249 1 4 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.571 1.089 19625
2250 1 4 . 1 1 37 37 TYR H H 37 7.560 7.560 7.612 -0.052 19625
2251 1 4 . 1 1 38 38 ALA N N 38 122.290 122.290 120.943 1.347 19625
2252 1 4 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.278 -0.358 19625
2253 1 4 . 1 1 38 38 ALA C C 38 178.770 178.770 179.706 -0.936 19625
2254 1 4 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.482 0.618 19625
2255 1 4 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.391 0.509 19625
2256 1 4 . 1 1 38 38 ALA H H 38 8.740 8.740 8.926 -0.186 19625
2257 1 4 . 1 1 39 39 ARG N N 39 117.070 117.070 116.705 0.365 19625
2258 1 4 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.091 -0.151 19625
2259 1 4 . 1 1 39 39 ARG C C 39 180.550 180.550 178.195 2.355 19625
2260 1 4 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.262 1.938 19625
2261 1 4 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.066 0.534 19625
2262 1 4 . 1 1 39 39 ARG H H 39 8.390 8.390 8.206 0.184 19625
2263 1 4 . 1 1 40 40 ARG N N 40 118.990 118.990 118.377 0.613 19625
2264 1 4 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.086 -0.236 19625
2265 1 4 . 1 1 40 40 ARG C C 40 177.010 177.010 177.577 -0.567 19625
2266 1 4 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.080 1.420 19625
2267 1 4 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.597 1.103 19625
2268 1 4 . 1 1 40 40 ARG H H 40 8.030 8.030 7.733 0.297 19625
2269 1 4 . 1 1 41 41 ASN N N 41 113.570 113.570 115.778 -2.208 19625
2270 1 4 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.461 -0.141 19625
2271 1 4 . 1 1 41 41 ASN C C 41 173.550 173.550 175.282 -1.732 19625
2272 1 4 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.845 0.555 19625
2273 1 4 . 1 1 41 41 ASN CB C 41 40.700 40.700 40.175 0.525 19625
2274 1 4 . 1 1 41 41 ASN H H 41 7.020 7.020 7.994 -0.974 19625
2275 1 4 . 1 1 42 42 GLY N N 42 106.670 106.670 108.138 -1.468 19625
2276 1 4 . 1 1 42 42 GLY C C 42 174.120 174.120 173.379 0.741 19625
2277 1 4 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.669 2.631 19625
2278 1 4 . 1 1 42 42 GLY H H 42 7.230 7.230 7.911 -0.681 19625
2279 1 4 . 1 1 43 43 PHE N N 43 119.360 119.360 119.653 -0.293 19625
2280 1 4 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.706 -0.366 19625
2281 1 4 . 1 1 43 43 PHE C C 43 174.900 174.900 175.325 -0.425 19625
2282 1 4 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.876 2.124 19625
2283 1 4 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.770 -1.270 19625
2284 1 4 . 1 1 43 43 PHE H H 43 7.870 7.870 8.263 -0.393 19625
2285 1 4 . 1 1 44 44 GLU N N 44 119.760 119.760 121.929 -2.169 19625
2286 1 4 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.556 -0.186 19625
2287 1 4 . 1 1 44 44 GLU C C 44 175.870 175.870 176.308 -0.438 19625
2288 1 4 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.372 1.138 19625
2289 1 4 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.619 2.081 19625
2290 1 4 . 1 1 44 44 GLU H H 44 8.510 8.510 8.763 -0.253 19625
2291 1 4 . 1 1 45 45 ASN N N 45 118.280 118.280 115.637 2.643 19625
2292 1 4 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.366 -0.206 19625
2293 1 4 . 1 1 45 45 ASN C C 45 174.730 174.730 174.651 0.079 19625
2294 1 4 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.320 -0.120 19625
2295 1 4 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.896 0.804 19625
2296 1 4 . 1 1 45 45 ASN H H 45 8.710 8.710 8.820 -0.110 19625
2297 1 4 . 1 1 46 46 ILE N N 46 117.440 117.440 119.285 -1.845 19625
2298 1 4 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.818 0.562 19625
2299 1 4 . 1 1 46 46 ILE C C 46 177.370 177.370 175.482 1.888 19625
2300 1 4 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.405 -0.105 19625
2301 1 4 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.279 3.621 19625
2302 1 4 . 1 1 46 46 ILE H H 46 7.840 7.840 8.181 -0.342 19625
2303 1 4 . 1 1 47 47 ARG N N 47 126.600 126.600 128.541 -1.941 19625
2304 1 4 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.374 -0.124 19625
2305 1 4 . 1 1 47 47 ARG C C 47 173.900 173.900 174.776 -0.876 19625
2306 1 4 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.412 1.488 19625
2307 1 4 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.419 3.681 19625
2308 1 4 . 1 1 47 47 ARG H H 47 8.440 8.440 7.971 0.469 19625
2309 1 4 . 1 1 48 48 HIS N N 48 122.600 122.600 124.327 -1.727 19625
2310 1 4 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.756 0.424 19625
2311 1 4 . 1 1 48 48 HIS C C 48 175.370 175.370 174.881 0.489 19625
2312 1 4 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.669 1.831 19625
2313 1 4 . 1 1 48 48 HIS CB C 48 32.500 32.500 29.722 2.778 19625
2314 1 4 . 1 1 48 48 HIS H H 48 8.530 8.530 8.746 -0.216 19625
2315 1 4 . 1 1 49 49 PHE N N 49 124.090 124.090 127.243 -3.153 19625
2316 1 4 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.714 -0.234 19625
2317 1 4 . 1 1 49 49 PHE C C 49 173.760 173.760 174.831 -1.071 19625
2318 1 4 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.437 1.963 19625
2319 1 4 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.866 3.634 19625
2320 1 4 . 1 1 49 49 PHE H H 49 9.340 9.340 9.536 -0.196 19625
2321 1 4 . 1 1 50 50 THR N N 50 117.900 117.900 118.510 -0.610 19625
2322 1 4 . 1 1 50 50 THR HA H 50 4.720 4.720 4.299 0.421 19625
2323 1 4 . 1 1 50 50 THR C C 50 172.640 172.640 174.139 -1.499 19625
2324 1 4 . 1 1 50 50 THR CA C 50 63.200 63.200 62.231 0.969 19625
2325 1 4 . 1 1 50 50 THR CB C 50 72.300 72.300 70.319 1.981 19625
2326 1 4 . 1 1 50 50 THR H H 50 8.530 8.530 8.271 0.259 19625
2327 1 4 . 1 1 51 51 ASP N N 51 127.240 127.240 125.789 1.451 19625
2328 1 4 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.546 0.724 19625
2329 1 4 . 1 1 51 51 ASP C C 51 173.530 173.530 174.049 -0.519 19625
2330 1 4 . 1 1 51 51 ASP CA C 51 55.000 55.000 53.455 1.545 19625
2331 1 4 . 1 1 51 51 ASP CB C 51 44.300 44.300 44.027 0.273 19625
2332 1 4 . 1 1 51 51 ASP H H 51 8.560 8.560 8.049 0.511 19625
2333 1 4 . 1 1 52 52 ASP N N 52 125.700 125.700 122.537 3.163 19625
2334 1 4 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.442 0.068 19625
2335 1 4 . 1 1 52 52 ASP C C 52 175.090 175.090 175.701 -0.611 19625
2336 1 4 . 1 1 52 52 ASP CA C 52 54.850 54.850 53.934 0.916 19625
2337 1 4 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.532 -0.432 19625
2338 1 4 . 1 1 52 52 ASP H H 52 9.210 9.210 6.858 2.352 19625
2339 1 4 . 1 1 53 53 GLY N N 53 113.640 113.640 112.687 0.953 19625
2340 1 4 . 1 1 53 53 GLY C C 53 173.950 173.950 173.748 0.202 19625
2341 1 4 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.719 0.881 19625
2342 1 4 . 1 1 53 53 GLY H H 53 8.660 8.660 8.511 0.149 19625
2343 1 4 . 1 1 54 54 PHE N N 54 116.490 116.490 119.167 -2.677 19625
2344 1 4 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.678 -0.198 19625
2345 1 4 . 1 1 54 54 PHE C C 54 174.240 174.240 176.952 -2.712 19625
2346 1 4 . 1 1 54 54 PHE CA C 54 58.200 58.200 55.701 2.499 19625
2347 1 4 . 1 1 54 54 PHE CB C 54 42.900 42.900 38.712 4.188 19625
2348 1 4 . 1 1 54 54 PHE H H 54 6.780 6.780 7.982 -1.202 19625
2349 1 4 . 1 1 55 55 SER N N 55 118.160 118.160 119.319 -1.159 19625
2350 1 4 . 1 1 55 55 SER HA H 55 4.190 4.190 4.511 -0.321 19625
2351 1 4 . 1 1 55 55 SER C C 55 175.490 175.490 175.254 0.236 19625
2352 1 4 . 1 1 55 55 SER CA C 55 59.000 59.000 58.643 0.357 19625
2353 1 4 . 1 1 55 55 SER CB C 55 63.600 63.600 64.183 -0.583 19625
2354 1 4 . 1 1 55 55 SER H H 55 8.620 8.620 8.787 -0.167 19625
2355 1 4 . 1 1 56 56 GLY N N 56 113.640 113.640 109.717 3.923 19625
2356 1 4 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.086 0.714 19625
2357 1 4 . 1 1 56 56 GLY H H 56 8.990 8.990 8.801 0.189 19625
2358 1 4 . 1 1 57 57 VAL N N 57 118.020 118.020 115.694 2.326 19625
2359 1 4 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.072 -0.452 19625
2360 1 4 . 1 1 57 57 VAL C C 57 173.800 173.800 175.743 -1.943 19625
2361 1 4 . 1 1 57 57 VAL CA C 57 64.550 64.550 62.143 2.407 19625
2362 1 4 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.606 0.004 19625
2363 1 4 . 1 1 57 57 VAL H H 57 8.250 8.250 7.813 0.437 19625
2364 1 4 . 1 1 58 58 ASN N N 58 112.780 112.780 116.212 -3.432 19625
2365 1 4 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.367 0.113 19625
2366 1 4 . 1 1 58 58 ASN C C 58 174.310 174.310 173.530 0.780 19625
2367 1 4 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.453 0.068 19625
2368 1 4 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.823 3.077 19625
2369 1 4 . 1 1 58 58 ASN H H 58 6.830 6.830 8.022 -1.192 19625
2370 1 4 . 1 1 59 59 PHE N N 59 118.570 118.570 119.859 -1.289 19625
2371 1 4 . 1 1 59 59 PHE HA H 59 3.940 3.940 4.073 -0.133 19625
2372 1 4 . 1 1 59 59 PHE C C 59 175.310 175.310 174.115 1.195 19625
2373 1 4 . 1 1 59 59 PHE CA C 59 59.300 59.300 56.671 2.629 19625
2374 1 4 . 1 1 59 59 PHE CB C 59 38.600 38.600 40.270 -1.670 19625
2375 1 4 . 1 1 59 59 PHE H H 59 8.950 8.950 8.133 0.817 19625
2376 1 4 . 1 1 60 60 ASN N N 60 124.690 124.690 117.339 7.351 19625
2377 1 4 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.270 0.460 19625
2378 1 4 . 1 1 60 60 ASN C C 60 172.860 172.860 173.028 -0.168 19625
2379 1 4 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.215 -0.214 19625
2380 1 4 . 1 1 60 60 ASN CB C 60 37.100 37.100 38.027 -0.927 19625
2381 1 4 . 1 1 60 60 ASN H H 60 8.620 8.620 7.342 1.278 19625
2382 1 4 . 1 1 61 61 ARG N N 61 119.260 119.260 119.256 0.004 19625
2383 1 4 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.611 -0.211 19625
2384 1 4 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.488 -2.898 19625
2385 1 4 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.174 1.886 19625
2386 1 4 . 1 1 61 61 ARG H H 61 7.440 7.440 7.739 -0.299 19625
2387 1 4 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.538 -0.388 19625
2388 1 4 . 1 1 62 62 PRO C C 62 179.790 179.790 178.849 0.941 19625
2389 1 4 . 1 1 62 62 PRO CA C 62 66.200 66.200 65.766 0.434 19625
2390 1 4 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.138 0.762 19625
2391 1 4 . 1 1 63 63 GLY N N 63 117.020 117.020 106.549 10.471 19625
2392 1 4 . 1 1 63 63 GLY C C 63 176.580 176.580 176.635 -0.055 19625
2393 1 4 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.219 0.481 19625
2394 1 4 . 1 1 63 63 GLY H H 63 10.740 10.740 9.185 1.555 19625
2395 1 4 . 1 1 64 64 PHE N N 64 125.390 125.390 122.992 2.398 19625
2396 1 4 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.126 -0.566 19625
2397 1 4 . 1 1 64 64 PHE C C 64 176.330 176.330 176.855 -0.525 19625
2398 1 4 . 1 1 64 64 PHE CA C 64 63.300 63.300 60.251 3.049 19625
2399 1 4 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.736 1.864 19625
2400 1 4 . 1 1 64 64 PHE H H 64 9.180 9.180 8.301 0.879 19625
2401 1 4 . 1 1 65 65 GLN N N 65 115.560 115.560 118.826 -3.266 19625
2402 1 4 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.054 -0.364 19625
2403 1 4 . 1 1 65 65 GLN C C 65 179.240 179.240 178.945 0.295 19625
2404 1 4 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.125 0.975 19625
2405 1 4 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.287 0.113 19625
2406 1 4 . 1 1 65 65 GLN H H 65 8.480 8.480 9.050 -0.570 19625
2407 1 4 . 1 1 66 66 SER N N 66 116.700 116.700 115.769 0.931 19625
2408 1 4 . 1 1 66 66 SER HA H 66 4.080 4.080 4.276 -0.196 19625
2409 1 4 . 1 1 66 66 SER C C 66 175.920 175.920 176.246 -0.326 19625
2410 1 4 . 1 1 66 66 SER CA C 66 62.930 62.930 61.992 0.938 19625
2411 1 4 . 1 1 66 66 SER CB C 66 63.880 63.880 63.423 0.457 19625
2412 1 4 . 1 1 66 66 SER H H 66 8.010 8.010 7.731 0.279 19625
2413 1 4 . 1 1 67 67 LEU N N 67 124.100 124.100 123.011 1.089 19625
2414 1 4 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.390 0.430 19625
2415 1 4 . 1 1 67 67 LEU C C 67 177.790 177.790 178.040 -0.250 19625
2416 1 4 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.184 1.216 19625
2417 1 4 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.791 0.309 19625
2418 1 4 . 1 1 67 67 LEU H H 67 7.830 7.830 7.386 0.444 19625
2419 1 4 . 1 1 68 68 ILE N N 68 118.610 118.610 118.875 -0.265 19625
2420 1 4 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.569 -0.329 19625
2421 1 4 . 1 1 68 68 ILE C C 68 177.730 177.730 177.366 0.364 19625
2422 1 4 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.691 -1.591 19625
2423 1 4 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.452 -2.352 19625
2424 1 4 . 1 1 68 68 ILE H H 68 8.030 8.030 8.504 -0.474 19625
2425 1 4 . 1 1 69 69 LYS N N 69 120.680 120.680 120.552 0.128 19625
2426 1 4 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.055 -0.155 19625
2427 1 4 . 1 1 69 69 LYS C C 69 180.050 180.050 178.898 1.152 19625
2428 1 4 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.848 0.952 19625
2429 1 4 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.961 0.639 19625
2430 1 4 . 1 1 69 69 LYS H H 69 7.500 7.500 7.977 -0.477 19625
2431 1 4 . 1 1 70 70 GLU N N 70 118.700 118.700 118.121 0.579 19625
2432 1 4 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.180 -0.120 19625
2433 1 4 . 1 1 70 70 GLU C C 70 178.860 178.860 178.961 -0.101 19625
2434 1 4 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.712 0.788 19625
2435 1 4 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.327 0.373 19625
2436 1 4 . 1 1 70 70 GLU H H 70 7.300 7.300 7.670 -0.370 19625
2437 1 4 . 1 1 71 71 VAL N N 71 121.570 121.570 119.830 1.740 19625
2438 1 4 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.458 0.022 19625
2439 1 4 . 1 1 71 71 VAL C C 71 180.380 180.380 178.516 1.864 19625
2440 1 4 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.506 -0.406 19625
2441 1 4 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.392 0.808 19625
2442 1 4 . 1 1 71 71 VAL H H 71 8.380 8.380 7.458 0.922 19625
2443 1 4 . 1 1 72 72 GLU N N 72 120.090 120.090 120.743 -0.653 19625
2444 1 4 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.013 -0.453 19625
2445 1 4 . 1 1 72 72 GLU C C 72 177.470 177.470 178.531 -1.061 19625
2446 1 4 . 1 1 72 72 GLU CA C 72 60.800 60.800 59.016 1.784 19625
2447 1 4 . 1 1 72 72 GLU CB C 72 30.440 30.440 28.980 1.460 19625
2448 1 4 . 1 1 72 72 GLU H H 72 9.010 9.010 8.662 0.348 19625
2449 1 4 . 1 1 73 73 ALA N N 73 118.560 118.560 120.341 -1.781 19625
2450 1 4 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.200 -0.080 19625
2451 1 4 . 1 1 73 73 ALA C C 73 177.350 177.350 178.179 -0.829 19625
2452 1 4 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.684 0.716 19625
2453 1 4 . 1 1 73 73 ALA CB C 73 20.000 20.000 19.107 0.893 19625
2454 1 4 . 1 1 73 73 ALA H H 73 7.320 7.320 7.667 -0.347 19625
2455 1 4 . 1 1 74 74 GLY N N 74 105.060 105.060 106.057 -0.997 19625
2456 1 4 . 1 1 74 74 GLY C C 74 176.280 176.280 174.226 2.054 19625
2457 1 4 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.007 1.493 19625
2458 1 4 . 1 1 74 74 GLY H H 74 7.690 7.690 7.635 0.055 19625
2459 1 4 . 1 1 75 75 ASN N N 75 115.690 115.690 117.384 -1.694 19625
2460 1 4 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.782 -0.082 19625
2461 1 4 . 1 1 75 75 ASN C C 75 174.100 174.100 175.722 -1.622 19625
2462 1 4 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.682 0.718 19625
2463 1 4 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.240 0.360 19625
2464 1 4 . 1 1 75 75 ASN H H 75 7.710 7.710 8.653 -0.943 19625
2465 1 4 . 1 1 76 76 VAL N N 76 120.710 120.710 123.221 -2.511 19625
2466 1 4 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.994 -0.044 19625
2467 1 4 . 1 1 76 76 VAL C C 76 173.190 173.190 175.924 -2.734 19625
2468 1 4 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.401 -0.701 19625
2469 1 4 . 1 1 76 76 VAL CB C 76 34.200 34.200 31.404 2.796 19625
2470 1 4 . 1 1 76 76 VAL H H 76 8.150 8.150 7.215 0.935 19625
2471 1 4 . 1 1 77 77 GLU N N 77 127.930 127.930 126.638 1.292 19625
2472 1 4 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.637 -0.317 19625
2473 1 4 . 1 1 77 77 GLU C C 77 175.850 175.850 175.922 -0.072 19625
2474 1 4 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.504 2.096 19625
2475 1 4 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.521 1.579 19625
2476 1 4 . 1 1 77 77 GLU H H 77 9.040 9.040 9.007 0.033 19625
2477 1 4 . 1 1 78 78 THR N N 78 115.080 115.080 112.012 3.068 19625
2478 1 4 . 1 1 78 78 THR HA H 78 5.010 5.010 4.798 0.212 19625
2479 1 4 . 1 1 78 78 THR C C 78 170.340 170.340 172.244 -1.904 19625
2480 1 4 . 1 1 78 78 THR CA C 78 61.500 61.500 60.925 0.575 19625
2481 1 4 . 1 1 78 78 THR CB C 78 72.100 72.100 71.692 0.408 19625
2482 1 4 . 1 1 78 78 THR H H 78 7.150 7.150 7.368 -0.218 19625
2483 1 4 . 1 1 79 79 LEU N N 79 130.190 130.190 124.090 6.100 19625
2484 1 4 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.750 0.360 19625
2485 1 4 . 1 1 79 79 LEU C C 79 172.640 172.640 174.001 -1.361 19625
2486 1 4 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.419 0.781 19625
2487 1 4 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.970 1.330 19625
2488 1 4 . 1 1 79 79 LEU H H 79 8.810 8.810 8.651 0.159 19625
2489 1 4 . 1 1 80 80 ILE N N 80 125.290 125.290 126.776 -1.486 19625
2490 1 4 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.064 0.826 19625
2491 1 4 . 1 1 80 80 ILE C C 80 174.260 174.260 173.857 0.403 19625
2492 1 4 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.000 0.500 19625
2493 1 4 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.480 1.120 19625
2494 1 4 . 1 1 80 80 ILE H H 80 8.760 8.760 9.128 -0.368 19625
2495 1 4 . 1 1 81 81 VAL N N 81 114.530 114.530 126.505 -11.975 19625
2496 1 4 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.872 0.038 19625
2497 1 4 . 1 1 81 81 VAL C C 81 175.310 175.310 176.517 -1.207 19625
2498 1 4 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.102 -0.002 19625
2499 1 4 . 1 1 81 81 VAL CB C 81 37.600 37.600 34.769 2.831 19625
2500 1 4 . 1 1 81 81 VAL H H 81 8.030 8.030 8.776 -0.746 19625
2501 1 4 . 1 1 82 82 LYS N N 82 122.730 122.730 124.059 -1.329 19625
2502 1 4 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.033 -0.383 19625
2503 1 4 . 1 1 82 82 LYS C C 82 174.470 174.470 175.020 -0.550 19625
2504 1 4 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.171 2.329 19625
2505 1 4 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.934 1.365 19625
2506 1 4 . 1 1 82 82 LYS H H 82 9.540 9.540 9.118 0.422 19625
2507 1 4 . 1 1 83 83 ASP N N 83 108.020 108.020 111.251 -3.231 19625
2508 1 4 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.728 -0.168 19625
2509 1 4 . 1 1 83 83 ASP C C 83 175.310 175.310 176.730 -1.420 19625
2510 1 4 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.379 0.421 19625
2511 1 4 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.720 1.680 19625
2512 1 4 . 1 1 83 83 ASP H H 83 7.080 7.080 7.754 -0.674 19625
2513 1 4 . 1 1 84 84 MET N N 84 120.990 120.990 119.060 1.930 19625
2514 1 4 . 1 1 84 84 MET HA H 84 4.190 4.190 4.409 -0.219 19625
2515 1 4 . 1 1 84 84 MET C C 84 177.910 177.910 177.194 0.716 19625
2516 1 4 . 1 1 84 84 MET CA C 84 59.000 59.000 57.087 1.913 19625
2517 1 4 . 1 1 84 84 MET CB C 84 32.460 32.460 31.499 0.961 19625
2518 1 4 . 1 1 84 84 MET H H 84 9.290 9.290 8.817 0.473 19625
2519 1 4 . 1 1 85 85 SER N N 85 113.930 113.930 116.282 -2.352 19625
2520 1 4 . 1 1 85 85 SER HA H 85 4.310 4.310 4.256 0.054 19625
2521 1 4 . 1 1 85 85 SER C C 85 177.010 177.010 175.971 1.039 19625
2522 1 4 . 1 1 85 85 SER CA C 85 61.700 61.700 61.175 0.525 19625
2523 1 4 . 1 1 85 85 SER CB C 85 63.900 63.900 62.855 1.045 19625
2524 1 4 . 1 1 85 85 SER H H 85 8.520 8.520 8.058 0.462 19625
2525 1 4 . 1 1 86 86 ARG N N 86 120.920 120.920 121.430 -0.510 19625
2526 1 4 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.180 -0.460 19625
2527 1 4 . 1 1 86 86 ARG C C 86 179.510 179.510 178.138 1.372 19625
2528 1 4 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.500 0.860 19625
2529 1 4 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.304 3.276 19625
2530 1 4 . 1 1 86 86 ARG H H 86 7.990 7.990 7.723 0.267 19625
2531 1 4 . 1 1 87 87 LEU N N 87 117.290 117.290 117.228 0.062 19625
2532 1 4 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.957 -0.047 19625
2533 1 4 . 1 1 87 87 LEU C C 87 177.080 177.080 176.478 0.602 19625
2534 1 4 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.145 2.955 19625
2535 1 4 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.722 0.978 19625
2536 1 4 . 1 1 87 87 LEU H H 87 7.400 7.400 8.237 -0.837 19625
2537 1 4 . 1 1 88 88 GLY N N 88 102.420 102.420 104.251 -1.831 19625
2538 1 4 . 1 1 88 88 GLY C C 88 169.840 169.840 173.741 -3.901 19625
2539 1 4 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.328 1.872 19625
2540 1 4 . 1 1 88 88 GLY H H 88 7.430 7.430 7.441 -0.011 19625
2541 1 4 . 1 1 89 89 ARG N N 89 115.910 115.910 119.167 -3.257 19625
2542 1 4 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.160 -0.120 19625
2543 1 4 . 1 1 89 89 ARG C C 89 177.540 177.540 176.592 0.948 19625
2544 1 4 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.212 -0.212 19625
2545 1 4 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.314 2.296 19625
2546 1 4 . 1 1 89 89 ARG H H 89 7.160 7.160 8.546 -1.386 19625
2547 1 4 . 1 1 90 90 ASN N N 90 117.420 117.420 120.588 -3.168 19625
2548 1 4 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.684 -0.064 19625
2549 1 4 . 1 1 90 90 ASN C C 90 175.420 175.420 175.359 0.061 19625
2550 1 4 . 1 1 90 90 ASN CA C 90 53.350 53.350 52.896 0.454 19625
2551 1 4 . 1 1 90 90 ASN CB C 90 39.460 39.460 36.744 2.716 19625
2552 1 4 . 1 1 90 90 ASN H H 90 7.930 7.930 8.458 -0.528 19625
2553 1 4 . 1 1 91 91 TYR N N 91 126.420 126.420 124.472 1.948 19625
2554 1 4 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.147 -0.157 19625
2555 1 4 . 1 1 91 91 TYR C C 91 177.470 177.470 176.718 0.752 19625
2556 1 4 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.728 0.242 19625
2557 1 4 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.564 -0.274 19625
2558 1 4 . 1 1 91 91 TYR H H 91 8.590 8.590 8.410 0.180 19625
2559 1 4 . 1 1 92 92 LEU N N 92 121.090 121.090 120.638 0.452 19625
2560 1 4 . 1 1 92 92 LEU HA H 92 3.840 3.840 4.055 -0.215 19625
2561 1 4 . 1 1 92 92 LEU C C 92 179.580 179.580 179.074 0.506 19625
2562 1 4 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.314 0.186 19625
2563 1 4 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.129 1.071 19625
2564 1 4 . 1 1 92 92 LEU H H 92 7.860 7.860 7.957 -0.097 19625
2565 1 4 . 1 1 93 93 GLN N N 93 117.490 117.490 118.539 -1.049 19625
2566 1 4 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.963 -0.023 19625
2567 1 4 . 1 1 93 93 GLN C C 93 178.630 178.630 178.951 -0.321 19625
2568 1 4 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.636 0.164 19625
2569 1 4 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.000 2.100 19625
2570 1 4 . 1 1 93 93 GLN H H 93 7.350 7.350 7.840 -0.490 19625
2571 1 4 . 1 1 94 94 VAL N N 94 118.580 118.580 118.669 -0.089 19625
2572 1 4 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.026 -0.506 19625
2573 1 4 . 1 1 94 94 VAL C C 94 177.420 177.420 178.122 -0.702 19625
2574 1 4 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.289 1.211 19625
2575 1 4 . 1 1 94 94 VAL CB C 94 32.800 32.800 30.584 2.216 19625
2576 1 4 . 1 1 94 94 VAL H H 94 8.230 8.230 8.712 -0.482 19625
2577 1 4 . 1 1 95 95 GLY N N 95 106.450 106.450 107.965 -1.515 19625
2578 1 4 . 1 1 95 95 GLY C C 95 174.810 174.810 175.617 -0.807 19625
2579 1 4 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.742 0.058 19625
2580 1 4 . 1 1 95 95 GLY H H 95 7.760 7.760 7.543 0.217 19625
2581 1 4 . 1 1 96 96 PHE N N 96 120.590 120.590 123.876 -3.286 19625
2582 1 4 . 1 1 96 96 PHE HA H 96 3.790 3.790 4.102 -0.312 19625
2583 1 4 . 1 1 96 96 PHE C C 96 176.780 176.780 176.732 0.048 19625
2584 1 4 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.411 1.689 19625
2585 1 4 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.536 0.764 19625
2586 1 4 . 1 1 96 96 PHE H H 96 7.000 7.000 8.146 -1.146 19625
2587 1 4 . 1 1 97 97 TYR N N 97 116.700 116.700 116.989 -0.289 19625
2588 1 4 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.756 -0.826 19625
2589 1 4 . 1 1 97 97 TYR C C 97 175.500 175.500 177.464 -1.964 19625
2590 1 4 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.665 0.035 19625
2591 1 4 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.310 0.490 19625
2592 1 4 . 1 1 97 97 TYR H H 97 7.030 7.030 8.006 -0.976 19625
2593 1 4 . 1 1 98 98 THR N N 98 104.710 104.710 109.045 -4.335 19625
2594 1 4 . 1 1 98 98 THR HA H 98 3.390 3.390 3.489 -0.099 19625
2595 1 4 . 1 1 98 98 THR C C 98 176.830 176.830 175.800 1.030 19625
2596 1 4 . 1 1 98 98 THR CA C 98 65.200 65.200 64.481 0.718 19625
2597 1 4 . 1 1 98 98 THR CB C 98 68.800 68.800 68.453 0.348 19625
2598 1 4 . 1 1 98 98 THR H H 98 7.540 7.540 7.199 0.341 19625
2599 1 4 . 1 1 99 99 GLU N N 99 116.670 116.670 119.340 -2.670 19625
2600 1 4 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.232 -0.022 19625
2601 1 4 . 1 1 99 99 GLU C C 99 176.820 176.820 177.258 -0.438 19625
2602 1 4 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.863 -0.663 19625
2603 1 4 . 1 1 99 99 GLU CB C 99 30.700 30.700 29.906 0.794 19625
2604 1 4 . 1 1 99 99 GLU H H 99 8.390 8.390 8.212 0.178 19625
2605 1 4 . 1 1 100 100 VAL N N 100 117.330 117.330 117.704 -0.374 19625
2606 1 4 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.946 -0.126 19625
2607 1 4 . 1 1 100 100 VAL C C 100 176.200 176.200 176.520 -0.320 19625
2608 1 4 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.570 1.430 19625
2609 1 4 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.625 0.075 19625
2610 1 4 . 1 1 100 100 VAL H H 100 6.590 6.590 7.437 -0.847 19625
2611 1 4 . 1 1 101 101 LEU N N 101 120.390 120.390 121.047 -0.657 19625
2612 1 4 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.961 -0.341 19625
2613 1 4 . 1 1 101 101 LEU C C 101 177.510 177.510 179.298 -1.788 19625
2614 1 4 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.816 1.884 19625
2615 1 4 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.660 1.450 19625
2616 1 4 . 1 1 101 101 LEU H H 101 7.180 7.180 7.671 -0.491 19625
2617 1 4 . 1 1 102 102 PHE N N 102 114.030 114.030 117.244 -3.214 19625
2618 1 4 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.459 -0.109 19625
2619 1 4 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.443 -0.833 19625
2620 1 4 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.339 -1.569 19625
2621 1 4 . 1 1 102 102 PHE H H 102 8.660 8.660 9.231 -0.571 19625
2622 1 4 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.102 0.128 19625
2623 1 4 . 1 1 103 103 PRO C C 103 180.710 180.710 178.960 1.750 19625
2624 1 4 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.225 0.575 19625
2625 1 4 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.105 0.555 19625
2626 1 4 . 1 1 104 104 GLN N N 104 117.110 117.110 116.292 0.818 19625
2627 1 4 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.060 -0.180 19625
2628 1 4 . 1 1 104 104 GLN C C 104 177.700 177.700 177.293 0.407 19625
2629 1 4 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.175 1.525 19625
2630 1 4 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.352 1.048 19625
2631 1 4 . 1 1 104 104 GLN H H 104 7.290 7.290 7.947 -0.657 19625
2632 1 4 . 1 1 105 105 LYS N N 105 115.380 115.380 114.274 1.106 19625
2633 1 4 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.539 -0.219 19625
2634 1 4 . 1 1 105 105 LYS C C 105 174.880 174.880 175.474 -0.594 19625
2635 1 4 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.667 -0.867 19625
2636 1 4 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.934 -1.234 19625
2637 1 4 . 1 1 105 105 LYS H H 105 7.650 7.650 8.045 -0.395 19625
2638 1 4 . 1 1 106 106 ASN N N 106 116.100 116.100 117.944 -1.844 19625
2639 1 4 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.320 -0.180 19625
2640 1 4 . 1 1 106 106 ASN C C 106 173.400 173.400 173.920 -0.520 19625
2641 1 4 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.984 1.216 19625
2642 1 4 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.024 -0.224 19625
2643 1 4 . 1 1 106 106 ASN H H 106 7.730 7.730 8.062 -0.332 19625
2644 1 4 . 1 1 107 107 VAL N N 107 119.060 119.060 119.827 -0.767 19625
2645 1 4 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.181 -0.451 19625
2646 1 4 . 1 1 107 107 VAL C C 107 175.280 175.280 175.674 -0.394 19625
2647 1 4 . 1 1 107 107 VAL CA C 107 62.100 62.100 61.820 0.280 19625
2648 1 4 . 1 1 107 107 VAL CB C 107 34.200 34.200 33.064 1.136 19625
2649 1 4 . 1 1 107 107 VAL H H 107 7.970 7.970 8.112 -0.142 19625
2650 1 4 . 1 1 108 108 ARG N N 108 129.920 129.920 127.294 2.626 19625
2651 1 4 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.706 -0.536 19625
2652 1 4 . 1 1 108 108 ARG C C 108 173.020 173.020 174.652 -1.632 19625
2653 1 4 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.592 2.098 19625
2654 1 4 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.965 0.136 19625
2655 1 4 . 1 1 108 108 ARG H H 108 8.230 8.230 8.134 0.096 19625
2656 1 4 . 1 1 109 109 PHE N N 109 129.390 129.390 124.841 4.549 19625
2657 1 4 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.917 0.193 19625
2658 1 4 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.461 -1.331 19625
2659 1 4 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.257 1.633 19625
2660 1 4 . 1 1 109 109 PHE H H 109 8.550 8.550 8.808 -0.258 19625
2661 1 4 . 1 1 110 110 LEU N N 110 130.220 130.220 125.823 4.397 19625
2662 1 4 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.828 -0.738 19625
2663 1 4 . 1 1 110 110 LEU C C 110 172.360 172.360 173.881 -1.521 19625
2664 1 4 . 1 1 110 110 LEU CA C 110 54.610 54.610 54.030 0.580 19625
2665 1 4 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.701 0.999 19625
2666 1 4 . 1 1 110 110 LEU H H 110 8.290 8.290 8.363 -0.073 19625
2667 1 4 . 1 1 111 111 ALA N N 111 123.890 123.890 130.017 -6.127 19625
2668 1 4 . 1 1 111 111 ALA HA H 111 4.580 4.580 5.064 -0.484 19625
2669 1 4 . 1 1 111 111 ALA C C 111 177.470 177.470 177.581 -0.111 19625
2670 1 4 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.954 -1.154 19625
2671 1 4 . 1 1 111 111 ALA CB C 111 20.000 20.000 20.257 -0.257 19625
2672 1 4 . 1 1 111 111 ALA H H 111 7.590 7.590 8.566 -0.976 19625
2673 1 4 . 1 1 112 112 ILE N N 112 121.690 121.690 125.219 -3.529 19625
2674 1 4 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.803 -0.663 19625
2675 1 4 . 1 1 112 112 ILE C C 112 177.350 177.350 177.279 0.071 19625
2676 1 4 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.670 1.630 19625
2677 1 4 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.659 0.381 19625
2678 1 4 . 1 1 112 112 ILE H H 112 7.700 7.700 8.293 -0.593 19625
2679 1 4 . 1 1 113 113 ASN N N 113 116.220 116.220 117.340 -1.120 19625
2680 1 4 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.721 0.019 19625
2681 1 4 . 1 1 113 113 ASN C C 113 175.110 175.110 174.214 0.896 19625
2682 1 4 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.829 -0.219 19625
2683 1 4 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.952 0.708 19625
2684 1 4 . 1 1 113 113 ASN H H 113 8.350 8.350 8.455 -0.105 19625
2685 1 4 . 1 1 114 114 ASN N N 114 118.560 118.560 115.833 2.727 19625
2686 1 4 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.731 -0.131 19625
2687 1 4 . 1 1 114 114 ASN C C 114 174.870 174.870 173.253 1.617 19625
2688 1 4 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.219 1.121 19625
2689 1 4 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.834 -0.234 19625
2690 1 4 . 1 1 114 114 ASN H H 114 8.110 8.110 7.525 0.585 19625
2691 1 4 . 1 1 115 115 SER N N 115 114.600 114.600 115.673 -1.073 19625
2692 1 4 . 1 1 115 115 SER HA H 115 4.320 4.320 4.513 -0.193 19625
2693 1 4 . 1 1 115 115 SER C C 115 174.120 174.120 174.975 -0.855 19625
2694 1 4 . 1 1 115 115 SER CA C 115 59.260 59.260 58.529 0.731 19625
2695 1 4 . 1 1 115 115 SER CB C 115 64.200 64.200 63.076 1.124 19625
2696 1 4 . 1 1 115 115 SER H H 115 8.010 8.010 8.643 -0.633 19625
2697 1 4 . 1 1 116 116 ILE N N 116 121.020 121.020 125.406 -4.386 19625
2698 1 4 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.847 0.173 19625
2699 1 4 . 1 1 116 116 ILE C C 116 175.590 175.590 176.076 -0.486 19625
2700 1 4 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.778 -1.588 19625
2701 1 4 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.038 1.862 19625
2702 1 4 . 1 1 116 116 ILE H H 116 7.920 7.920 8.746 -0.826 19625
2703 1 4 . 1 1 117 117 ASP N N 117 124.190 124.190 115.622 8.568 19625
2704 1 4 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.661 -0.071 19625
2705 1 4 . 1 1 117 117 ASP C C 117 174.870 174.870 175.680 -0.810 19625
2706 1 4 . 1 1 117 117 ASP CA C 117 54.780 54.780 54.286 0.494 19625
2707 1 4 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.362 1.128 19625
2708 1 4 . 1 1 117 117 ASP H H 117 8.160 8.160 8.221 -0.061 19625
2709 1 4 . 1 1 118 118 SER N N 118 116.920 116.920 114.833 2.087 19625
2710 1 4 . 1 1 118 118 SER HA H 118 4.250 4.250 4.280 -0.030 19625
2711 1 4 . 1 1 118 118 SER C C 118 174.260 174.260 173.579 0.681 19625
2712 1 4 . 1 1 118 118 SER CA C 118 59.770 59.770 58.746 1.024 19625
2713 1 4 . 1 1 118 118 SER CB C 118 64.500 64.500 63.488 1.012 19625
2714 1 4 . 1 1 118 118 SER H H 118 8.220 8.220 8.257 -0.037 19625
2715 1 4 . 1 1 119 119 ASN N N 119 120.830 120.830 119.910 0.920 19625
2716 1 4 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.726 -0.146 19625
2717 1 4 . 1 1 119 119 ASN C C 119 174.120 174.120 174.812 -0.692 19625
2718 1 4 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.921 0.279 19625
2719 1 4 . 1 1 119 119 ASN CB C 119 39.700 39.700 38.600 1.100 19625
2720 1 4 . 1 1 119 119 ASN H H 119 8.330 8.330 8.950 -0.620 19625
2721 1 5 . 1 1 2 2 SER HA H 2 4.320 4.320 4.632 -0.312 19625
2722 1 5 . 1 1 2 2 SER C C 2 174.400 174.400 172.488 1.912 19625
2723 1 5 . 1 1 2 2 SER CA C 2 59.200 59.200 57.661 1.539 19625
2724 1 5 . 1 1 2 2 SER CB C 2 64.800 64.800 64.765 0.035 19625
2725 1 5 . 1 1 3 3 ARG N N 3 123.220 123.220 122.511 0.709 19625
2726 1 5 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.457 -0.227 19625
2727 1 5 . 1 1 3 3 ARG C C 3 176.320 176.320 175.945 0.375 19625
2728 1 5 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.474 0.826 19625
2729 1 5 . 1 1 3 3 ARG CB C 3 31.600 31.600 30.378 1.222 19625
2730 1 5 . 1 1 3 3 ARG H H 3 8.590 8.590 8.369 0.221 19625
2731 1 5 . 1 1 4 4 THR N N 4 114.540 114.540 115.919 -1.379 19625
2732 1 5 . 1 1 4 4 THR HA H 4 4.270 4.270 4.628 -0.358 19625
2733 1 5 . 1 1 4 4 THR C C 4 173.880 173.880 173.862 0.018 19625
2734 1 5 . 1 1 4 4 THR CA C 4 62.200 62.200 60.638 1.562 19625
2735 1 5 . 1 1 4 4 THR CB C 4 70.700 70.700 70.783 -0.083 19625
2736 1 5 . 1 1 4 4 THR H H 4 8.090 8.090 8.184 -0.094 19625
2737 1 5 . 1 1 5 5 SER N N 5 117.410 117.410 117.565 -0.155 19625
2738 1 5 . 1 1 5 5 SER HA H 5 4.320 4.320 4.885 -0.565 19625
2739 1 5 . 1 1 5 5 SER C C 5 174.020 174.020 174.406 -0.386 19625
2740 1 5 . 1 1 5 5 SER CA C 5 58.900 58.900 57.489 1.411 19625
2741 1 5 . 1 1 5 5 SER CB C 5 64.700 64.700 64.089 0.611 19625
2742 1 5 . 1 1 5 5 SER H H 5 8.100 8.100 8.392 -0.292 19625
2743 1 5 . 1 1 6 6 ARG N N 6 122.330 122.330 125.925 -3.595 19625
2744 1 5 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.266 0.024 19625
2745 1 5 . 1 1 6 6 ARG C C 6 176.850 176.850 175.132 1.718 19625
2746 1 5 . 1 1 6 6 ARG CA C 6 57.400 57.400 56.051 1.349 19625
2747 1 5 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.361 3.039 19625
2748 1 5 . 1 1 6 6 ARG H H 6 8.100 8.100 8.555 -0.455 19625
2749 1 5 . 1 1 7 7 ILE N N 7 115.270 115.270 114.362 0.908 19625
2750 1 5 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.531 0.039 19625
2751 1 5 . 1 1 7 7 ILE C C 7 177.060 177.060 173.781 3.279 19625
2752 1 5 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.047 2.183 19625
2753 1 5 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.597 0.583 19625
2754 1 5 . 1 1 7 7 ILE H H 7 8.550 8.550 8.694 -0.144 19625
2755 1 5 . 1 1 8 8 THR N N 8 120.840 120.840 116.942 3.898 19625
2756 1 5 . 1 1 8 8 THR HA H 8 4.420 4.420 4.458 -0.038 19625
2757 1 5 . 1 1 8 8 THR C C 8 172.530 172.530 173.094 -0.564 19625
2758 1 5 . 1 1 8 8 THR CA C 8 63.100 63.100 60.941 2.159 19625
2759 1 5 . 1 1 8 8 THR CB C 8 69.000 69.000 70.801 -1.801 19625
2760 1 5 . 1 1 8 8 THR H H 8 8.030 8.030 8.231 -0.201 19625
2761 1 5 . 1 1 9 9 ALA N N 9 129.200 129.200 128.047 1.153 19625
2762 1 5 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.044 -0.264 19625
2763 1 5 . 1 1 9 9 ALA C C 9 173.980 173.980 174.752 -0.772 19625
2764 1 5 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.430 0.870 19625
2765 1 5 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.194 2.206 19625
2766 1 5 . 1 1 9 9 ALA H H 9 9.210 9.210 9.197 0.013 19625
2767 1 5 . 1 1 10 10 LEU N N 10 124.830 124.830 127.613 -2.783 19625
2768 1 5 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.270 -0.440 19625
2769 1 5 . 1 1 10 10 LEU C C 10 174.400 174.400 174.585 -0.185 19625
2770 1 5 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.956 -0.156 19625
2771 1 5 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.509 -3.009 19625
2772 1 5 . 1 1 10 10 LEU H H 10 8.720 8.720 8.966 -0.246 19625
2773 1 5 . 1 1 11 11 TYR N N 11 122.470 122.470 127.842 -5.372 19625
2774 1 5 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.651 0.179 19625
2775 1 5 . 1 1 11 11 TYR C C 11 174.120 174.120 173.248 0.872 19625
2776 1 5 . 1 1 11 11 TYR CA C 11 57.100 57.100 56.096 1.004 19625
2777 1 5 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.631 -0.131 19625
2778 1 5 . 1 1 11 11 TYR H H 11 8.000 8.000 8.646 -0.646 19625
2779 1 5 . 1 1 12 12 GLU N N 12 121.360 121.360 126.534 -5.174 19625
2780 1 5 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.754 -0.554 19625
2781 1 5 . 1 1 12 12 GLU C C 12 172.720 172.720 173.657 -0.937 19625
2782 1 5 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.363 1.337 19625
2783 1 5 . 1 1 12 12 GLU CB C 12 30.400 30.400 34.659 -4.259 19625
2784 1 5 . 1 1 12 12 GLU H H 12 7.870 7.870 8.044 -0.174 19625
2785 1 5 . 1 1 13 13 ARG N N 13 118.180 118.180 121.577 -3.397 19625
2786 1 5 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.425 0.445 19625
2787 1 5 . 1 1 13 13 ARG C C 13 174.680 174.680 173.986 0.694 19625
2788 1 5 . 1 1 13 13 ARG CA C 13 55.800 55.800 54.682 1.118 19625
2789 1 5 . 1 1 13 13 ARG CB C 13 35.360 35.360 32.265 3.095 19625
2790 1 5 . 1 1 13 13 ARG H H 13 7.290 7.290 8.447 -1.157 19625
2791 1 5 . 1 1 14 14 LEU N N 14 131.070 131.070 125.551 5.519 19625
2792 1 5 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.728 -0.338 19625
2793 1 5 . 1 1 14 14 LEU C C 14 172.930 172.930 175.393 -2.463 19625
2794 1 5 . 1 1 14 14 LEU CA C 14 56.400 56.400 54.065 2.335 19625
2795 1 5 . 1 1 14 14 LEU CB C 14 47.800 47.800 43.679 4.120 19625
2796 1 5 . 1 1 14 14 LEU H H 14 8.010 8.010 8.557 -0.547 19625
2797 1 5 . 1 1 15 15 SER N N 15 118.940 118.940 118.923 0.017 19625
2798 1 5 . 1 1 15 15 SER HA H 15 4.520 4.520 4.398 0.122 19625
2799 1 5 . 1 1 15 15 SER C C 15 175.380 175.380 175.265 0.115 19625
2800 1 5 . 1 1 15 15 SER CA C 15 58.300 58.300 57.822 0.478 19625
2801 1 5 . 1 1 15 15 SER CB C 15 65.300 65.300 64.561 0.739 19625
2802 1 5 . 1 1 15 15 SER H H 15 8.580 8.580 8.754 -0.174 19625
2803 1 5 . 1 1 16 16 ARG N N 16 123.190 123.190 124.118 -0.928 19625
2804 1 5 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.230 -0.270 19625
2805 1 5 . 1 1 16 16 ARG C C 16 177.410 177.410 176.383 1.027 19625
2806 1 5 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.426 2.074 19625
2807 1 5 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.315 0.085 19625
2808 1 5 . 1 1 16 16 ARG H H 16 8.980 8.980 8.712 0.268 19625
2809 1 5 . 1 1 17 17 ASP N N 17 115.110 115.110 117.844 -2.734 19625
2810 1 5 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.649 -0.349 19625
2811 1 5 . 1 1 17 17 ASP C C 17 176.090 176.090 175.614 0.476 19625
2812 1 5 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.436 0.164 19625
2813 1 5 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.713 -0.613 19625
2814 1 5 . 1 1 17 17 ASP H H 17 8.160 8.160 7.655 0.505 19625
2815 1 5 . 1 1 18 18 ASP N N 18 119.390 119.390 119.314 0.076 19625
2816 1 5 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.321 -0.021 19625
2817 1 5 . 1 1 18 18 ASP C C 18 175.750 175.750 175.800 -0.050 19625
2818 1 5 . 1 1 18 18 ASP CA C 18 56.300 56.300 55.352 0.948 19625
2819 1 5 . 1 1 18 18 ASP CB C 18 42.740 42.740 39.621 3.119 19625
2820 1 5 . 1 1 18 18 ASP H H 18 7.240 7.240 8.321 -1.081 19625
2821 1 5 . 1 1 19 19 ASP N N 19 117.850 117.850 118.069 -0.219 19625
2822 1 5 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.579 -0.349 19625
2823 1 5 . 1 1 19 19 ASP C C 19 175.300 175.300 176.783 -1.483 19625
2824 1 5 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.835 1.195 19625
2825 1 5 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.739 0.321 19625
2826 1 5 . 1 1 19 19 ASP H H 19 8.000 8.000 8.575 -0.575 19625
2827 1 5 . 1 1 20 20 LEU N N 20 120.230 120.230 116.265 3.965 19625
2828 1 5 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.584 -0.204 19625
2829 1 5 . 1 1 20 20 LEU C C 20 176.830 176.830 176.709 0.121 19625
2830 1 5 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.239 -0.140 19625
2831 1 5 . 1 1 20 20 LEU CB C 20 43.480 43.480 41.266 2.214 19625
2832 1 5 . 1 1 20 20 LEU H H 20 7.960 7.960 7.574 0.386 19625
2833 1 5 . 1 1 21 21 THR N N 21 113.040 113.040 113.244 -0.204 19625
2834 1 5 . 1 1 21 21 THR HA H 21 4.290 4.290 4.079 0.211 19625
2835 1 5 . 1 1 21 21 THR C C 21 174.900 174.900 174.565 0.335 19625
2836 1 5 . 1 1 21 21 THR CA C 21 61.970 61.970 63.200 -1.230 19625
2837 1 5 . 1 1 21 21 THR CB C 21 71.200 71.200 68.713 2.487 19625
2838 1 5 . 1 1 21 21 THR H H 21 8.070 8.070 7.813 0.257 19625
2839 1 5 . 1 1 22 22 GLY N N 22 110.100 110.100 114.741 -4.641 19625
2840 1 5 . 1 1 22 22 GLY C C 22 175.110 175.110 174.107 1.003 19625
2841 1 5 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.216 0.754 19625
2842 1 5 . 1 1 22 22 GLY H H 22 8.230 8.230 8.164 0.066 19625
2843 1 5 . 1 1 23 23 GLU N N 23 121.940 121.940 120.927 1.013 19625
2844 1 5 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.403 -0.403 19625
2845 1 5 . 1 1 23 23 GLU C C 23 178.200 178.200 175.776 2.424 19625
2846 1 5 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.362 1.538 19625
2847 1 5 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.884 0.716 19625
2848 1 5 . 1 1 23 23 GLU H H 23 8.550 8.550 8.619 -0.069 19625
2849 1 5 . 1 1 24 24 SER N N 24 114.930 114.930 111.159 3.771 19625
2850 1 5 . 1 1 24 24 SER HA H 24 3.990 3.990 4.387 -0.397 19625
2851 1 5 . 1 1 24 24 SER C C 24 174.000 174.000 173.591 0.409 19625
2852 1 5 . 1 1 24 24 SER CA C 24 61.610 61.610 58.243 3.367 19625
2853 1 5 . 1 1 24 24 SER CB C 24 63.600 63.600 63.210 0.390 19625
2854 1 5 . 1 1 24 24 SER H H 24 8.290 8.290 8.080 0.210 19625
2855 1 5 . 1 1 25 25 ASN N N 25 117.820 117.820 116.450 1.370 19625
2856 1 5 . 1 1 25 25 ASN HA H 25 4.730 4.730 5.144 -0.414 19625
2857 1 5 . 1 1 25 25 ASN C C 25 174.380 174.380 174.464 -0.084 19625
2858 1 5 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.388 0.712 19625
2859 1 5 . 1 1 25 25 ASN CB C 25 40.800 40.800 38.954 1.846 19625
2860 1 5 . 1 1 25 25 ASN H H 25 7.620 7.620 7.480 0.140 19625
2861 1 5 . 1 1 26 26 SER N N 26 115.050 115.050 117.743 -2.693 19625
2862 1 5 . 1 1 26 26 SER HA H 26 4.140 4.140 4.520 -0.380 19625
2863 1 5 . 1 1 26 26 SER C C 26 174.660 174.660 172.546 2.114 19625
2864 1 5 . 1 1 26 26 SER CA C 26 58.500 58.500 58.538 -0.038 19625
2865 1 5 . 1 1 26 26 SER CB C 26 65.000 65.000 64.304 0.696 19625
2866 1 5 . 1 1 26 26 SER H H 26 7.510 7.510 8.089 -0.579 19625
2867 1 5 . 1 1 27 27 ILE N N 27 124.200 124.200 117.237 6.963 19625
2868 1 5 . 1 1 27 27 ILE HA H 27 3.460 3.460 4.232 -0.772 19625
2869 1 5 . 1 1 27 27 ILE C C 27 177.540 177.540 174.885 2.655 19625
2870 1 5 . 1 1 27 27 ILE CA C 27 63.440 63.440 62.941 0.499 19625
2871 1 5 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.928 -1.528 19625
2872 1 5 . 1 1 27 27 ILE H H 27 8.960 8.960 7.963 0.997 19625
2873 1 5 . 1 1 28 28 THR N N 28 114.810 114.810 117.205 -2.395 19625
2874 1 5 . 1 1 28 28 THR HA H 28 3.510 3.510 4.134 -0.624 19625
2875 1 5 . 1 1 28 28 THR C C 28 176.210 176.210 175.766 0.444 19625
2876 1 5 . 1 1 28 28 THR CA C 28 67.300 67.300 66.290 1.010 19625
2877 1 5 . 1 1 28 28 THR CB C 28 69.240 69.240 68.558 0.681 19625
2878 1 5 . 1 1 28 28 THR H H 28 8.030 8.030 8.396 -0.366 19625
2879 1 5 . 1 1 29 29 ASN N N 29 120.670 120.670 118.685 1.985 19625
2880 1 5 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.444 -0.044 19625
2881 1 5 . 1 1 29 29 ASN C C 29 175.110 175.110 177.383 -2.273 19625
2882 1 5 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.503 0.597 19625
2883 1 5 . 1 1 29 29 ASN CB C 29 38.700 38.700 37.959 0.741 19625
2884 1 5 . 1 1 29 29 ASN H H 29 7.640 7.640 8.272 -0.632 19625
2885 1 5 . 1 1 30 30 GLN N N 30 122.180 122.180 119.305 2.875 19625
2886 1 5 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.103 -0.253 19625
2887 1 5 . 1 1 30 30 GLN CA C 30 61.510 61.510 59.041 2.469 19625
2888 1 5 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.290 4.770 19625
2889 1 5 . 1 1 30 30 GLN H H 30 8.620 8.620 8.546 0.074 19625
2890 1 5 . 1 1 31 31 LYS N N 31 116.860 116.860 119.554 -2.694 19625
2891 1 5 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.125 -0.295 19625
2892 1 5 . 1 1 31 31 LYS C C 31 178.370 178.370 179.320 -0.950 19625
2893 1 5 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.725 1.575 19625
2894 1 5 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.108 1.472 19625
2895 1 5 . 1 1 31 31 LYS H H 31 8.230 8.230 7.821 0.409 19625
2896 1 5 . 1 1 32 32 LYS N N 32 117.720 117.720 119.798 -2.078 19625
2897 1 5 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.390 -0.540 19625
2898 1 5 . 1 1 32 32 LYS C C 32 177.840 177.840 179.000 -1.160 19625
2899 1 5 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.413 0.786 19625
2900 1 5 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.288 1.212 19625
2901 1 5 . 1 1 32 32 LYS H H 32 7.470 7.470 7.807 -0.337 19625
2902 1 5 . 1 1 33 33 TYR N N 33 120.230 120.230 121.832 -1.602 19625
2903 1 5 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.124 0.016 19625
2904 1 5 . 1 1 33 33 TYR C C 33 178.990 178.990 177.716 1.274 19625
2905 1 5 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.170 -0.270 19625
2906 1 5 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.439 1.811 19625
2907 1 5 . 1 1 33 33 TYR H H 33 8.210 8.210 7.775 0.435 19625
2908 1 5 . 1 1 34 34 LEU N N 34 117.680 117.680 117.892 -0.212 19625
2909 1 5 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.997 -0.217 19625
2910 1 5 . 1 1 34 34 LEU C C 34 178.370 178.370 179.145 -0.775 19625
2911 1 5 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.512 1.488 19625
2912 1 5 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.331 2.669 19625
2913 1 5 . 1 1 34 34 LEU H H 34 8.270 8.270 8.185 0.085 19625
2914 1 5 . 1 1 35 35 GLU N N 35 120.040 120.040 120.454 -0.414 19625
2915 1 5 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.965 -0.365 19625
2916 1 5 . 1 1 35 35 GLU C C 35 178.480 178.480 178.723 -0.243 19625
2917 1 5 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.217 1.283 19625
2918 1 5 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.581 0.819 19625
2919 1 5 . 1 1 35 35 GLU H H 35 8.490 8.490 7.957 0.533 19625
2920 1 5 . 1 1 36 36 ASP N N 36 119.540 119.540 119.351 0.189 19625
2921 1 5 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.328 -0.128 19625
2922 1 5 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.769 0.631 19625
2923 1 5 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.872 0.528 19625
2924 1 5 . 1 1 36 36 ASP H H 36 8.410 8.410 8.576 -0.166 19625
2925 1 5 . 1 1 37 37 TYR N N 37 120.120 120.120 120.522 -0.402 19625
2926 1 5 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.121 -0.541 19625
2927 1 5 . 1 1 37 37 TYR C C 37 178.270 178.270 176.805 1.465 19625
2928 1 5 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.388 1.612 19625
2929 1 5 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.691 0.969 19625
2930 1 5 . 1 1 37 37 TYR H H 37 7.560 7.560 7.609 -0.049 19625
2931 1 5 . 1 1 38 38 ALA N N 38 122.290 122.290 121.259 1.031 19625
2932 1 5 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.167 -0.247 19625
2933 1 5 . 1 1 38 38 ALA C C 38 178.770 178.770 179.599 -0.829 19625
2934 1 5 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.466 0.634 19625
2935 1 5 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.399 0.501 19625
2936 1 5 . 1 1 38 38 ALA H H 38 8.740 8.740 9.038 -0.298 19625
2937 1 5 . 1 1 39 39 ARG N N 39 117.070 117.070 116.765 0.305 19625
2938 1 5 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.033 -0.093 19625
2939 1 5 . 1 1 39 39 ARG C C 39 180.550 180.550 178.294 2.256 19625
2940 1 5 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.205 1.995 19625
2941 1 5 . 1 1 39 39 ARG CB C 39 30.600 30.600 29.966 0.634 19625
2942 1 5 . 1 1 39 39 ARG H H 39 8.390 8.390 8.353 0.037 19625
2943 1 5 . 1 1 40 40 ARG N N 40 118.990 118.990 118.847 0.143 19625
2944 1 5 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.028 -0.178 19625
2945 1 5 . 1 1 40 40 ARG C C 40 177.010 177.010 177.522 -0.512 19625
2946 1 5 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.172 1.328 19625
2947 1 5 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.490 1.210 19625
2948 1 5 . 1 1 40 40 ARG H H 40 8.030 8.030 7.663 0.367 19625
2949 1 5 . 1 1 41 41 ASN N N 41 113.570 113.570 115.569 -1.999 19625
2950 1 5 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.370 -0.050 19625
2951 1 5 . 1 1 41 41 ASN C C 41 173.550 173.550 175.033 -1.483 19625
2952 1 5 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.657 0.743 19625
2953 1 5 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.906 0.794 19625
2954 1 5 . 1 1 41 41 ASN H H 41 7.020 7.020 7.795 -0.775 19625
2955 1 5 . 1 1 42 42 GLY N N 42 106.670 106.670 107.690 -1.020 19625
2956 1 5 . 1 1 42 42 GLY C C 42 174.120 174.120 173.443 0.677 19625
2957 1 5 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.582 2.718 19625
2958 1 5 . 1 1 42 42 GLY H H 42 7.230 7.230 7.544 -0.314 19625
2959 1 5 . 1 1 43 43 PHE N N 43 119.360 119.360 119.821 -0.461 19625
2960 1 5 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.720 -0.380 19625
2961 1 5 . 1 1 43 43 PHE C C 43 174.900 174.900 174.978 -0.078 19625
2962 1 5 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.108 2.892 19625
2963 1 5 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.078 -0.578 19625
2964 1 5 . 1 1 43 43 PHE H H 43 7.870 7.870 8.203 -0.333 19625
2965 1 5 . 1 1 44 44 GLU N N 44 119.760 119.760 122.117 -2.357 19625
2966 1 5 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.462 -0.092 19625
2967 1 5 . 1 1 44 44 GLU C C 44 175.870 175.870 176.984 -1.114 19625
2968 1 5 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.919 0.591 19625
2969 1 5 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.211 2.489 19625
2970 1 5 . 1 1 44 44 GLU H H 44 8.510 8.510 8.702 -0.192 19625
2971 1 5 . 1 1 45 45 ASN N N 45 118.280 118.280 114.988 3.292 19625
2972 1 5 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.281 -0.121 19625
2973 1 5 . 1 1 45 45 ASN C C 45 174.730 174.730 174.890 -0.160 19625
2974 1 5 . 1 1 45 45 ASN CA C 45 54.200 54.200 55.377 -1.177 19625
2975 1 5 . 1 1 45 45 ASN CB C 45 37.700 37.700 37.835 -0.135 19625
2976 1 5 . 1 1 45 45 ASN H H 45 8.710 8.710 8.789 -0.079 19625
2977 1 5 . 1 1 46 46 ILE N N 46 117.440 117.440 120.040 -2.600 19625
2978 1 5 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.676 0.704 19625
2979 1 5 . 1 1 46 46 ILE C C 46 177.370 177.370 174.910 2.460 19625
2980 1 5 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.225 0.075 19625
2981 1 5 . 1 1 46 46 ILE CB C 46 39.900 39.900 35.909 3.991 19625
2982 1 5 . 1 1 46 46 ILE H H 46 7.840 7.840 8.099 -0.259 19625
2983 1 5 . 1 1 47 47 ARG N N 47 126.600 126.600 126.497 0.103 19625
2984 1 5 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.329 -0.079 19625
2985 1 5 . 1 1 47 47 ARG C C 47 173.900 173.900 174.728 -0.828 19625
2986 1 5 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.583 1.317 19625
2987 1 5 . 1 1 47 47 ARG CB C 47 35.100 35.100 32.034 3.066 19625
2988 1 5 . 1 1 47 47 ARG H H 47 8.440 8.440 8.025 0.415 19625
2989 1 5 . 1 1 48 48 HIS N N 48 122.600 122.600 123.104 -0.504 19625
2990 1 5 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.899 0.281 19625
2991 1 5 . 1 1 48 48 HIS C C 48 175.370 175.370 174.873 0.497 19625
2992 1 5 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.299 2.201 19625
2993 1 5 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.133 2.367 19625
2994 1 5 . 1 1 48 48 HIS H H 48 8.530 8.530 8.490 0.040 19625
2995 1 5 . 1 1 49 49 PHE N N 49 124.090 124.090 126.346 -2.256 19625
2996 1 5 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.864 -0.384 19625
2997 1 5 . 1 1 49 49 PHE C C 49 173.760 173.760 174.818 -1.058 19625
2998 1 5 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.732 1.668 19625
2999 1 5 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.916 3.584 19625
3000 1 5 . 1 1 49 49 PHE H H 49 9.340 9.340 9.482 -0.142 19625
3001 1 5 . 1 1 50 50 THR N N 50 117.900 117.900 118.528 -0.628 19625
3002 1 5 . 1 1 50 50 THR HA H 50 4.720 4.720 4.345 0.375 19625
3003 1 5 . 1 1 50 50 THR C C 50 172.640 172.640 173.889 -1.249 19625
3004 1 5 . 1 1 50 50 THR CA C 50 63.200 63.200 62.837 0.363 19625
3005 1 5 . 1 1 50 50 THR CB C 50 72.300 72.300 69.945 2.355 19625
3006 1 5 . 1 1 50 50 THR H H 50 8.530 8.530 8.416 0.114 19625
3007 1 5 . 1 1 51 51 ASP N N 51 127.240 127.240 124.260 2.980 19625
3008 1 5 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.296 0.974 19625
3009 1 5 . 1 1 51 51 ASP C C 51 173.530 173.530 173.519 0.011 19625
3010 1 5 . 1 1 51 51 ASP CA C 51 55.000 55.000 53.374 1.626 19625
3011 1 5 . 1 1 51 51 ASP CB C 51 44.300 44.300 44.063 0.237 19625
3012 1 5 . 1 1 51 51 ASP H H 51 8.560 8.560 8.188 0.372 19625
3013 1 5 . 1 1 52 52 ASP N N 52 125.700 125.700 122.390 3.310 19625
3014 1 5 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.473 0.037 19625
3015 1 5 . 1 1 52 52 ASP C C 52 175.090 175.090 176.212 -1.122 19625
3016 1 5 . 1 1 52 52 ASP CA C 52 54.850 54.850 53.361 1.490 19625
3017 1 5 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.307 -0.207 19625
3018 1 5 . 1 1 52 52 ASP H H 52 9.210 9.210 7.182 2.028 19625
3019 1 5 . 1 1 53 53 GLY N N 53 113.640 113.640 111.398 2.242 19625
3020 1 5 . 1 1 53 53 GLY C C 53 173.950 173.950 174.637 -0.687 19625
3021 1 5 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.865 0.735 19625
3022 1 5 . 1 1 53 53 GLY H H 53 8.660 8.660 8.431 0.229 19625
3023 1 5 . 1 1 54 54 PHE N N 54 116.490 116.490 117.785 -1.295 19625
3024 1 5 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.601 -0.121 19625
3025 1 5 . 1 1 54 54 PHE C C 54 174.240 174.240 176.595 -2.355 19625
3026 1 5 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.871 1.329 19625
3027 1 5 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.707 3.193 19625
3028 1 5 . 1 1 54 54 PHE H H 54 6.780 6.780 7.844 -1.064 19625
3029 1 5 . 1 1 55 55 SER N N 55 118.160 118.160 116.532 1.628 19625
3030 1 5 . 1 1 55 55 SER HA H 55 4.190 4.190 4.609 -0.419 19625
3031 1 5 . 1 1 55 55 SER C C 55 175.490 175.490 174.442 1.048 19625
3032 1 5 . 1 1 55 55 SER CA C 55 59.000 59.000 58.553 0.447 19625
3033 1 5 . 1 1 55 55 SER CB C 55 63.600 63.600 64.732 -1.132 19625
3034 1 5 . 1 1 55 55 SER H H 55 8.620 8.620 8.589 0.031 19625
3035 1 5 . 1 1 56 56 GLY N N 56 113.640 113.640 109.042 4.598 19625
3036 1 5 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.163 0.637 19625
3037 1 5 . 1 1 56 56 GLY H H 56 8.990 8.990 8.572 0.418 19625
3038 1 5 . 1 1 57 57 VAL N N 57 118.020 118.020 119.930 -1.910 19625
3039 1 5 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.148 -0.528 19625
3040 1 5 . 1 1 57 57 VAL C C 57 173.800 173.800 175.577 -1.777 19625
3041 1 5 . 1 1 57 57 VAL CA C 57 64.550 64.550 62.536 2.014 19625
3042 1 5 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.395 0.215 19625
3043 1 5 . 1 1 57 57 VAL H H 57 8.250 8.250 8.096 0.154 19625
3044 1 5 . 1 1 58 58 ASN N N 58 112.780 112.780 114.273 -1.493 19625
3045 1 5 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.374 0.106 19625
3046 1 5 . 1 1 58 58 ASN C C 58 174.310 174.310 173.712 0.598 19625
3047 1 5 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.303 0.217 19625
3048 1 5 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.513 3.387 19625
3049 1 5 . 1 1 58 58 ASN H H 58 6.830 6.830 7.716 -0.886 19625
3050 1 5 . 1 1 59 59 PHE N N 59 118.570 118.570 119.785 -1.215 19625
3051 1 5 . 1 1 59 59 PHE HA H 59 3.940 3.940 4.038 -0.098 19625
3052 1 5 . 1 1 59 59 PHE C C 59 175.310 175.310 174.654 0.656 19625
3053 1 5 . 1 1 59 59 PHE CA C 59 59.300 59.300 56.331 2.969 19625
3054 1 5 . 1 1 59 59 PHE CB C 59 38.600 38.600 40.083 -1.483 19625
3055 1 5 . 1 1 59 59 PHE H H 59 8.950 8.950 8.197 0.753 19625
3056 1 5 . 1 1 60 60 ASN N N 60 124.690 124.690 116.951 7.739 19625
3057 1 5 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.297 0.433 19625
3058 1 5 . 1 1 60 60 ASN C C 60 172.860 172.860 173.113 -0.253 19625
3059 1 5 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.176 -0.176 19625
3060 1 5 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.709 -0.609 19625
3061 1 5 . 1 1 60 60 ASN H H 60 8.620 8.620 7.554 1.066 19625
3062 1 5 . 1 1 61 61 ARG N N 61 119.260 119.260 118.335 0.925 19625
3063 1 5 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.613 -0.213 19625
3064 1 5 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.381 -2.791 19625
3065 1 5 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.206 1.854 19625
3066 1 5 . 1 1 61 61 ARG H H 61 7.440 7.440 7.625 -0.185 19625
3067 1 5 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.463 -0.313 19625
3068 1 5 . 1 1 62 62 PRO C C 62 179.790 179.790 178.842 0.948 19625
3069 1 5 . 1 1 62 62 PRO CA C 62 66.200 66.200 65.919 0.281 19625
3070 1 5 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.093 0.808 19625
3071 1 5 . 1 1 63 63 GLY N N 63 117.020 117.020 107.503 9.517 19625
3072 1 5 . 1 1 63 63 GLY C C 63 176.580 176.580 176.691 -0.111 19625
3073 1 5 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.450 0.251 19625
3074 1 5 . 1 1 63 63 GLY H H 63 10.740 10.740 9.066 1.674 19625
3075 1 5 . 1 1 64 64 PHE N N 64 125.390 125.390 122.961 2.429 19625
3076 1 5 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.130 -0.570 19625
3077 1 5 . 1 1 64 64 PHE C C 64 176.330 176.330 176.946 -0.616 19625
3078 1 5 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.991 3.309 19625
3079 1 5 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.725 1.875 19625
3080 1 5 . 1 1 64 64 PHE H H 64 9.180 9.180 8.315 0.865 19625
3081 1 5 . 1 1 65 65 GLN N N 65 115.560 115.560 118.685 -3.125 19625
3082 1 5 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.047 -0.357 19625
3083 1 5 . 1 1 65 65 GLN C C 65 179.240 179.240 178.715 0.525 19625
3084 1 5 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.365 0.735 19625
3085 1 5 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.265 0.135 19625
3086 1 5 . 1 1 65 65 GLN H H 65 8.480 8.480 9.058 -0.578 19625
3087 1 5 . 1 1 66 66 SER N N 66 116.700 116.700 115.980 0.720 19625
3088 1 5 . 1 1 66 66 SER HA H 66 4.080 4.080 4.332 -0.252 19625
3089 1 5 . 1 1 66 66 SER C C 66 175.920 175.920 176.342 -0.422 19625
3090 1 5 . 1 1 66 66 SER CA C 66 62.930 62.930 61.526 1.404 19625
3091 1 5 . 1 1 66 66 SER CB C 66 63.880 63.880 63.175 0.705 19625
3092 1 5 . 1 1 66 66 SER H H 66 8.010 8.010 7.734 0.276 19625
3093 1 5 . 1 1 67 67 LEU N N 67 124.100 124.100 122.600 1.500 19625
3094 1 5 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.371 0.449 19625
3095 1 5 . 1 1 67 67 LEU C C 67 177.790 177.790 178.177 -0.387 19625
3096 1 5 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.060 1.340 19625
3097 1 5 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.549 0.551 19625
3098 1 5 . 1 1 67 67 LEU H H 67 7.830 7.830 7.264 0.566 19625
3099 1 5 . 1 1 68 68 ILE N N 68 118.610 118.610 119.112 -0.502 19625
3100 1 5 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.505 -0.265 19625
3101 1 5 . 1 1 68 68 ILE C C 68 177.730 177.730 177.472 0.258 19625
3102 1 5 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.800 -1.700 19625
3103 1 5 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.389 -2.289 19625
3104 1 5 . 1 1 68 68 ILE H H 68 8.030 8.030 8.250 -0.220 19625
3105 1 5 . 1 1 69 69 LYS N N 69 120.680 120.680 120.355 0.325 19625
3106 1 5 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.052 -0.152 19625
3107 1 5 . 1 1 69 69 LYS C C 69 180.050 180.050 179.021 1.029 19625
3108 1 5 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.935 0.865 19625
3109 1 5 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.993 0.607 19625
3110 1 5 . 1 1 69 69 LYS H H 69 7.500 7.500 8.230 -0.730 19625
3111 1 5 . 1 1 70 70 GLU N N 70 118.700 118.700 118.109 0.591 19625
3112 1 5 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.132 -0.072 19625
3113 1 5 . 1 1 70 70 GLU C C 70 178.860 178.860 178.882 -0.022 19625
3114 1 5 . 1 1 70 70 GLU CA C 70 59.500 59.500 59.276 0.224 19625
3115 1 5 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.523 0.177 19625
3116 1 5 . 1 1 70 70 GLU H H 70 7.300 7.300 7.684 -0.384 19625
3117 1 5 . 1 1 71 71 VAL N N 71 121.570 121.570 119.431 2.139 19625
3118 1 5 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.460 0.020 19625
3119 1 5 . 1 1 71 71 VAL C C 71 180.380 180.380 177.978 2.402 19625
3120 1 5 . 1 1 71 71 VAL CA C 71 66.100 66.100 65.860 0.240 19625
3121 1 5 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.896 1.304 19625
3122 1 5 . 1 1 71 71 VAL H H 71 8.380 8.380 7.435 0.945 19625
3123 1 5 . 1 1 72 72 GLU N N 72 120.090 120.090 119.361 0.729 19625
3124 1 5 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.032 -0.471 19625
3125 1 5 . 1 1 72 72 GLU C C 72 177.470 177.470 178.629 -1.159 19625
3126 1 5 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.566 2.234 19625
3127 1 5 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.183 1.257 19625
3128 1 5 . 1 1 72 72 GLU H H 72 9.010 9.010 8.335 0.675 19625
3129 1 5 . 1 1 73 73 ALA N N 73 118.560 118.560 120.191 -1.631 19625
3130 1 5 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.218 -0.098 19625
3131 1 5 . 1 1 73 73 ALA C C 73 177.350 177.350 177.902 -0.552 19625
3132 1 5 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.295 1.105 19625
3133 1 5 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.950 1.050 19625
3134 1 5 . 1 1 73 73 ALA H H 73 7.320 7.320 7.666 -0.346 19625
3135 1 5 . 1 1 74 74 GLY N N 74 105.060 105.060 106.871 -1.811 19625
3136 1 5 . 1 1 74 74 GLY C C 74 176.280 176.280 174.061 2.219 19625
3137 1 5 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.163 1.337 19625
3138 1 5 . 1 1 74 74 GLY H H 74 7.690 7.690 7.584 0.106 19625
3139 1 5 . 1 1 75 75 ASN N N 75 115.690 115.690 116.890 -1.200 19625
3140 1 5 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.812 -0.112 19625
3141 1 5 . 1 1 75 75 ASN C C 75 174.100 174.100 175.031 -0.931 19625
3142 1 5 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.306 1.093 19625
3143 1 5 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.279 0.321 19625
3144 1 5 . 1 1 75 75 ASN H H 75 7.710 7.710 8.573 -0.863 19625
3145 1 5 . 1 1 76 76 VAL N N 76 120.710 120.710 124.700 -3.990 19625
3146 1 5 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.995 -0.045 19625
3147 1 5 . 1 1 76 76 VAL C C 76 173.190 173.190 175.509 -2.319 19625
3148 1 5 . 1 1 76 76 VAL CA C 76 62.700 62.700 61.961 0.739 19625
3149 1 5 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.489 3.711 19625
3150 1 5 . 1 1 76 76 VAL H H 76 8.150 8.150 7.183 0.967 19625
3151 1 5 . 1 1 77 77 GLU N N 77 127.930 127.930 126.393 1.537 19625
3152 1 5 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.443 -0.123 19625
3153 1 5 . 1 1 77 77 GLU C C 77 175.850 175.850 176.120 -0.270 19625
3154 1 5 . 1 1 77 77 GLU CA C 77 58.600 58.600 57.248 1.352 19625
3155 1 5 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.125 1.975 19625
3156 1 5 . 1 1 77 77 GLU H H 77 9.040 9.040 9.049 -0.009 19625
3157 1 5 . 1 1 78 78 THR N N 78 115.080 115.080 113.103 1.977 19625
3158 1 5 . 1 1 78 78 THR HA H 78 5.010 5.010 4.612 0.398 19625
3159 1 5 . 1 1 78 78 THR C C 78 170.340 170.340 171.965 -1.625 19625
3160 1 5 . 1 1 78 78 THR CA C 78 61.500 61.500 61.279 0.221 19625
3161 1 5 . 1 1 78 78 THR CB C 78 72.100 72.100 71.933 0.167 19625
3162 1 5 . 1 1 78 78 THR H H 78 7.150 7.150 7.296 -0.146 19625
3163 1 5 . 1 1 79 79 LEU N N 79 130.190 130.190 125.387 4.803 19625
3164 1 5 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.807 0.303 19625
3165 1 5 . 1 1 79 79 LEU C C 79 172.640 172.640 174.142 -1.502 19625
3166 1 5 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.163 1.037 19625
3167 1 5 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.477 1.823 19625
3168 1 5 . 1 1 79 79 LEU H H 79 8.810 8.810 8.580 0.230 19625
3169 1 5 . 1 1 80 80 ILE N N 80 125.290 125.290 127.553 -2.263 19625
3170 1 5 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.142 0.748 19625
3171 1 5 . 1 1 80 80 ILE C C 80 174.260 174.260 174.082 0.178 19625
3172 1 5 . 1 1 80 80 ILE CA C 80 60.500 60.500 59.937 0.563 19625
3173 1 5 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.207 1.393 19625
3174 1 5 . 1 1 80 80 ILE H H 80 8.760 8.760 9.258 -0.498 19625
3175 1 5 . 1 1 81 81 VAL N N 81 114.530 114.530 126.584 -12.054 19625
3176 1 5 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.916 -0.006 19625
3177 1 5 . 1 1 81 81 VAL C C 81 175.310 175.310 176.435 -1.125 19625
3178 1 5 . 1 1 81 81 VAL CA C 81 59.100 59.100 60.121 -1.021 19625
3179 1 5 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.429 2.171 19625
3180 1 5 . 1 1 81 81 VAL H H 81 8.030 8.030 8.796 -0.766 19625
3181 1 5 . 1 1 82 82 LYS N N 82 122.730 122.730 121.940 0.790 19625
3182 1 5 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.048 -0.398 19625
3183 1 5 . 1 1 82 82 LYS C C 82 174.470 174.470 175.581 -1.111 19625
3184 1 5 . 1 1 82 82 LYS CA C 82 61.500 61.500 58.869 2.631 19625
3185 1 5 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.883 1.417 19625
3186 1 5 . 1 1 82 82 LYS H H 82 9.540 9.540 8.792 0.748 19625
3187 1 5 . 1 1 83 83 ASP N N 83 108.020 108.020 111.693 -3.673 19625
3188 1 5 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.746 -0.186 19625
3189 1 5 . 1 1 83 83 ASP C C 83 175.310 175.310 176.852 -1.542 19625
3190 1 5 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.229 0.571 19625
3191 1 5 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.930 1.470 19625
3192 1 5 . 1 1 83 83 ASP H H 83 7.080 7.080 7.778 -0.698 19625
3193 1 5 . 1 1 84 84 MET N N 84 120.990 120.990 119.752 1.238 19625
3194 1 5 . 1 1 84 84 MET HA H 84 4.190 4.190 4.412 -0.222 19625
3195 1 5 . 1 1 84 84 MET C C 84 177.910 177.910 177.607 0.303 19625
3196 1 5 . 1 1 84 84 MET CA C 84 59.000 59.000 57.543 1.457 19625
3197 1 5 . 1 1 84 84 MET CB C 84 32.460 32.460 31.959 0.500 19625
3198 1 5 . 1 1 84 84 MET H H 84 9.290 9.290 8.792 0.498 19625
3199 1 5 . 1 1 85 85 SER N N 85 113.930 113.930 115.795 -1.865 19625
3200 1 5 . 1 1 85 85 SER HA H 85 4.310 4.310 4.236 0.074 19625
3201 1 5 . 1 1 85 85 SER C C 85 177.010 177.010 176.610 0.400 19625
3202 1 5 . 1 1 85 85 SER CA C 85 61.700 61.700 61.031 0.669 19625
3203 1 5 . 1 1 85 85 SER CB C 85 63.900 63.900 63.018 0.882 19625
3204 1 5 . 1 1 85 85 SER H H 85 8.520 8.520 8.040 0.480 19625
3205 1 5 . 1 1 86 86 ARG N N 86 120.920 120.920 122.621 -1.701 19625
3206 1 5 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.218 -0.498 19625
3207 1 5 . 1 1 86 86 ARG C C 86 179.510 179.510 178.472 1.038 19625
3208 1 5 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.697 0.663 19625
3209 1 5 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.077 3.503 19625
3210 1 5 . 1 1 86 86 ARG H H 86 7.990 7.990 7.705 0.285 19625
3211 1 5 . 1 1 87 87 LEU N N 87 117.290 117.290 116.102 1.188 19625
3212 1 5 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.963 -0.053 19625
3213 1 5 . 1 1 87 87 LEU C C 87 177.080 177.080 176.527 0.553 19625
3214 1 5 . 1 1 87 87 LEU CA C 87 59.100 59.100 55.701 3.399 19625
3215 1 5 . 1 1 87 87 LEU CB C 87 43.700 43.700 43.195 0.505 19625
3216 1 5 . 1 1 87 87 LEU H H 87 7.400 7.400 7.768 -0.368 19625
3217 1 5 . 1 1 88 88 GLY N N 88 102.420 102.420 104.291 -1.871 19625
3218 1 5 . 1 1 88 88 GLY C C 88 169.840 169.840 173.516 -3.676 19625
3219 1 5 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.454 1.746 19625
3220 1 5 . 1 1 88 88 GLY H H 88 7.430 7.430 7.521 -0.091 19625
3221 1 5 . 1 1 89 89 ARG N N 89 115.910 115.910 120.190 -4.280 19625
3222 1 5 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.267 -0.227 19625
3223 1 5 . 1 1 89 89 ARG C C 89 177.540 177.540 176.207 1.333 19625
3224 1 5 . 1 1 89 89 ARG CA C 89 57.000 57.000 56.918 0.082 19625
3225 1 5 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.399 2.211 19625
3226 1 5 . 1 1 89 89 ARG H H 89 7.160 7.160 8.509 -1.349 19625
3227 1 5 . 1 1 90 90 ASN N N 90 117.420 117.420 119.474 -2.054 19625
3228 1 5 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.592 0.028 19625
3229 1 5 . 1 1 90 90 ASN C C 90 175.420 175.420 175.775 -0.355 19625
3230 1 5 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.097 0.253 19625
3231 1 5 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.375 2.085 19625
3232 1 5 . 1 1 90 90 ASN H H 90 7.930 7.930 7.918 0.012 19625
3233 1 5 . 1 1 91 91 TYR N N 91 126.420 126.420 125.477 0.943 19625
3234 1 5 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.226 -0.236 19625
3235 1 5 . 1 1 91 91 TYR C C 91 177.470 177.470 176.786 0.684 19625
3236 1 5 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.377 0.593 19625
3237 1 5 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.598 -0.308 19625
3238 1 5 . 1 1 91 91 TYR H H 91 8.590 8.590 8.349 0.241 19625
3239 1 5 . 1 1 92 92 LEU N N 92 121.090 121.090 120.670 0.420 19625
3240 1 5 . 1 1 92 92 LEU HA H 92 3.840 3.840 4.082 -0.242 19625
3241 1 5 . 1 1 92 92 LEU C C 92 179.580 179.580 179.135 0.445 19625
3242 1 5 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.407 0.093 19625
3243 1 5 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.151 1.049 19625
3244 1 5 . 1 1 92 92 LEU H H 92 7.860 7.860 8.030 -0.170 19625
3245 1 5 . 1 1 93 93 GLN N N 93 117.490 117.490 118.196 -0.706 19625
3246 1 5 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.977 -0.037 19625
3247 1 5 . 1 1 93 93 GLN C C 93 178.630 178.630 178.941 -0.311 19625
3248 1 5 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.475 0.325 19625
3249 1 5 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.212 1.888 19625
3250 1 5 . 1 1 93 93 GLN H H 93 7.350 7.350 7.769 -0.419 19625
3251 1 5 . 1 1 94 94 VAL N N 94 118.580 118.580 119.461 -0.881 19625
3252 1 5 . 1 1 94 94 VAL HA H 94 3.520 3.520 3.970 -0.450 19625
3253 1 5 . 1 1 94 94 VAL C C 94 177.420 177.420 177.790 -0.370 19625
3254 1 5 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.888 0.612 19625
3255 1 5 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.328 1.472 19625
3256 1 5 . 1 1 94 94 VAL H H 94 8.230 8.230 8.788 -0.558 19625
3257 1 5 . 1 1 95 95 GLY N N 95 106.450 106.450 107.543 -1.093 19625
3258 1 5 . 1 1 95 95 GLY C C 95 174.810 174.810 175.444 -0.634 19625
3259 1 5 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.651 0.149 19625
3260 1 5 . 1 1 95 95 GLY H H 95 7.760 7.760 7.807 -0.047 19625
3261 1 5 . 1 1 96 96 PHE N N 96 120.590 120.590 123.131 -2.541 19625
3262 1 5 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.853 -0.063 19625
3263 1 5 . 1 1 96 96 PHE C C 96 176.780 176.780 176.440 0.340 19625
3264 1 5 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.883 1.218 19625
3265 1 5 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.659 0.641 19625
3266 1 5 . 1 1 96 96 PHE H H 96 7.000 7.000 7.776 -0.776 19625
3267 1 5 . 1 1 97 97 TYR N N 97 116.700 116.700 117.101 -0.401 19625
3268 1 5 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.768 -0.838 19625
3269 1 5 . 1 1 97 97 TYR C C 97 175.500 175.500 177.585 -2.085 19625
3270 1 5 . 1 1 97 97 TYR CA C 97 62.700 62.700 61.664 1.036 19625
3271 1 5 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.891 -0.091 19625
3272 1 5 . 1 1 97 97 TYR H H 97 7.030 7.030 7.870 -0.840 19625
3273 1 5 . 1 1 98 98 THR N N 98 104.710 104.710 109.130 -4.420 19625
3274 1 5 . 1 1 98 98 THR HA H 98 3.390 3.390 3.580 -0.190 19625
3275 1 5 . 1 1 98 98 THR C C 98 176.830 176.830 176.162 0.668 19625
3276 1 5 . 1 1 98 98 THR CA C 98 65.200 65.200 64.718 0.482 19625
3277 1 5 . 1 1 98 98 THR CB C 98 68.800 68.800 68.699 0.101 19625
3278 1 5 . 1 1 98 98 THR H H 98 7.540 7.540 7.453 0.087 19625
3279 1 5 . 1 1 99 99 GLU N N 99 116.670 116.670 119.618 -2.948 19625
3280 1 5 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.329 -0.119 19625
3281 1 5 . 1 1 99 99 GLU C C 99 176.820 176.820 176.864 -0.044 19625
3282 1 5 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.596 -0.396 19625
3283 1 5 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.854 -0.154 19625
3284 1 5 . 1 1 99 99 GLU H H 99 8.390 8.390 8.221 0.169 19625
3285 1 5 . 1 1 100 100 VAL N N 100 117.330 117.330 119.066 -1.736 19625
3286 1 5 . 1 1 100 100 VAL HA H 100 3.820 3.820 4.034 -0.214 19625
3287 1 5 . 1 1 100 100 VAL C C 100 176.200 176.200 176.823 -0.623 19625
3288 1 5 . 1 1 100 100 VAL CA C 100 65.000 65.000 62.906 2.094 19625
3289 1 5 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.860 -0.160 19625
3290 1 5 . 1 1 100 100 VAL H H 100 6.590 6.590 7.473 -0.883 19625
3291 1 5 . 1 1 101 101 LEU N N 101 120.390 120.390 121.194 -0.804 19625
3292 1 5 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.940 -0.320 19625
3293 1 5 . 1 1 101 101 LEU C C 101 177.510 177.510 179.461 -1.951 19625
3294 1 5 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.857 1.843 19625
3295 1 5 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.298 1.812 19625
3296 1 5 . 1 1 101 101 LEU H H 101 7.180 7.180 7.855 -0.675 19625
3297 1 5 . 1 1 102 102 PHE N N 102 114.030 114.030 117.617 -3.587 19625
3298 1 5 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.452 -0.102 19625
3299 1 5 . 1 1 102 102 PHE CA C 102 59.610 59.610 59.892 -0.282 19625
3300 1 5 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.191 -1.421 19625
3301 1 5 . 1 1 102 102 PHE H H 102 8.660 8.660 9.113 -0.453 19625
3302 1 5 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.085 0.145 19625
3303 1 5 . 1 1 103 103 PRO C C 103 180.710 180.710 179.064 1.646 19625
3304 1 5 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.125 0.675 19625
3305 1 5 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.115 0.545 19625
3306 1 5 . 1 1 104 104 GLN N N 104 117.110 117.110 117.139 -0.029 19625
3307 1 5 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.023 -0.143 19625
3308 1 5 . 1 1 104 104 GLN C C 104 177.700 177.700 177.337 0.363 19625
3309 1 5 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.365 1.335 19625
3310 1 5 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.476 0.924 19625
3311 1 5 . 1 1 104 104 GLN H H 104 7.290 7.290 7.904 -0.615 19625
3312 1 5 . 1 1 105 105 LYS N N 105 115.380 115.380 114.447 0.933 19625
3313 1 5 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.512 -0.192 19625
3314 1 5 . 1 1 105 105 LYS C C 105 174.880 174.880 175.474 -0.594 19625
3315 1 5 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.712 -0.911 19625
3316 1 5 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.704 -1.004 19625
3317 1 5 . 1 1 105 105 LYS H H 105 7.650 7.650 7.966 -0.316 19625
3318 1 5 . 1 1 106 106 ASN N N 106 116.100 116.100 117.859 -1.759 19625
3319 1 5 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.306 -0.166 19625
3320 1 5 . 1 1 106 106 ASN C C 106 173.400 173.400 173.617 -0.217 19625
3321 1 5 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.867 1.333 19625
3322 1 5 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.391 -0.591 19625
3323 1 5 . 1 1 106 106 ASN H H 106 7.730 7.730 7.986 -0.256 19625
3324 1 5 . 1 1 107 107 VAL N N 107 119.060 119.060 120.752 -1.692 19625
3325 1 5 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.264 -0.534 19625
3326 1 5 . 1 1 107 107 VAL C C 107 175.280 175.280 175.663 -0.383 19625
3327 1 5 . 1 1 107 107 VAL CA C 107 62.100 62.100 61.561 0.539 19625
3328 1 5 . 1 1 107 107 VAL CB C 107 34.200 34.200 33.778 0.422 19625
3329 1 5 . 1 1 107 107 VAL H H 107 7.970 7.970 8.118 -0.148 19625
3330 1 5 . 1 1 108 108 ARG N N 108 129.920 129.920 127.992 1.928 19625
3331 1 5 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.686 -0.516 19625
3332 1 5 . 1 1 108 108 ARG C C 108 173.020 173.020 174.843 -1.823 19625
3333 1 5 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.646 2.044 19625
3334 1 5 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.998 0.102 19625
3335 1 5 . 1 1 108 108 ARG H H 108 8.230 8.230 8.290 -0.060 19625
3336 1 5 . 1 1 109 109 PHE N N 109 129.390 129.390 125.023 4.367 19625
3337 1 5 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.906 0.204 19625
3338 1 5 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.529 -1.399 19625
3339 1 5 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.080 1.810 19625
3340 1 5 . 1 1 109 109 PHE H H 109 8.550 8.550 8.794 -0.244 19625
3341 1 5 . 1 1 110 110 LEU N N 110 130.220 130.220 126.667 3.553 19625
3342 1 5 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.827 -0.737 19625
3343 1 5 . 1 1 110 110 LEU C C 110 172.360 172.360 173.891 -1.531 19625
3344 1 5 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.970 0.640 19625
3345 1 5 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.700 1.000 19625
3346 1 5 . 1 1 110 110 LEU H H 110 8.290 8.290 8.496 -0.206 19625
3347 1 5 . 1 1 111 111 ALA N N 111 123.890 123.890 130.065 -6.175 19625
3348 1 5 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.956 -0.376 19625
3349 1 5 . 1 1 111 111 ALA C C 111 177.470 177.470 177.590 -0.120 19625
3350 1 5 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.969 -1.169 19625
3351 1 5 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.862 0.138 19625
3352 1 5 . 1 1 111 111 ALA H H 111 7.590 7.590 8.590 -1.000 19625
3353 1 5 . 1 1 112 112 ILE N N 112 121.690 121.690 124.483 -2.793 19625
3354 1 5 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.783 -0.643 19625
3355 1 5 . 1 1 112 112 ILE C C 112 177.350 177.350 177.222 0.128 19625
3356 1 5 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.711 1.589 19625
3357 1 5 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.586 0.454 19625
3358 1 5 . 1 1 112 112 ILE H H 112 7.700 7.700 8.167 -0.467 19625
3359 1 5 . 1 1 113 113 ASN N N 113 116.220 116.220 117.853 -1.633 19625
3360 1 5 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.753 -0.013 19625
3361 1 5 . 1 1 113 113 ASN C C 113 175.110 175.110 174.105 1.005 19625
3362 1 5 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.576 0.034 19625
3363 1 5 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.989 0.671 19625
3364 1 5 . 1 1 113 113 ASN H H 113 8.350 8.350 8.181 0.169 19625
3365 1 5 . 1 1 114 114 ASN N N 114 118.560 118.560 116.318 2.242 19625
3366 1 5 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.718 -0.118 19625
3367 1 5 . 1 1 114 114 ASN C C 114 174.870 174.870 173.470 1.400 19625
3368 1 5 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.122 1.218 19625
3369 1 5 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.417 0.183 19625
3370 1 5 . 1 1 114 114 ASN H H 114 8.110 8.110 7.544 0.566 19625
3371 1 5 . 1 1 115 115 SER N N 115 114.600 114.600 116.876 -2.276 19625
3372 1 5 . 1 1 115 115 SER HA H 115 4.320 4.320 4.666 -0.346 19625
3373 1 5 . 1 1 115 115 SER C C 115 174.120 174.120 174.695 -0.575 19625
3374 1 5 . 1 1 115 115 SER CA C 115 59.260 59.260 58.035 1.224 19625
3375 1 5 . 1 1 115 115 SER CB C 115 64.200 64.200 63.270 0.930 19625
3376 1 5 . 1 1 115 115 SER H H 115 8.010 8.010 8.661 -0.651 19625
3377 1 5 . 1 1 116 116 ILE N N 116 121.020 121.020 125.018 -3.998 19625
3378 1 5 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.920 0.100 19625
3379 1 5 . 1 1 116 116 ILE C C 116 175.590 175.590 175.698 -0.108 19625
3380 1 5 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.069 -0.880 19625
3381 1 5 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.142 1.758 19625
3382 1 5 . 1 1 116 116 ILE H H 116 7.920 7.920 8.513 -0.593 19625
3383 1 5 . 1 1 117 117 ASP N N 117 124.190 124.190 115.806 8.384 19625
3384 1 5 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.692 -0.102 19625
3385 1 5 . 1 1 117 117 ASP C C 117 174.870 174.870 175.363 -0.493 19625
3386 1 5 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.809 0.971 19625
3387 1 5 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.221 1.268 19625
3388 1 5 . 1 1 117 117 ASP H H 117 8.160 8.160 8.414 -0.254 19625
3389 1 5 . 1 1 118 118 SER N N 118 116.920 116.920 115.555 1.365 19625
3390 1 5 . 1 1 118 118 SER HA H 118 4.250 4.250 4.407 -0.157 19625
3391 1 5 . 1 1 118 118 SER C C 118 174.260 174.260 175.110 -0.850 19625
3392 1 5 . 1 1 118 118 SER CA C 118 59.770 59.770 59.225 0.545 19625
3393 1 5 . 1 1 118 118 SER CB C 118 64.500 64.500 63.982 0.518 19625
3394 1 5 . 1 1 118 118 SER H H 118 8.220 8.220 8.081 0.139 19625
3395 1 5 . 1 1 119 119 ASN N N 119 120.830 120.830 122.201 -1.371 19625
3396 1 5 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.700 -0.120 19625
3397 1 5 . 1 1 119 119 ASN C C 119 174.120 174.120 175.383 -1.263 19625
3398 1 5 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.666 0.534 19625
3399 1 5 . 1 1 119 119 ASN CB C 119 39.700 39.700 38.789 0.911 19625
3400 1 5 . 1 1 119 119 ASN H H 119 8.330 8.330 8.703 -0.373 19625
3401 1 6 . 1 1 2 2 SER HA H 2 4.320 4.320 4.748 -0.428 19625
3402 1 6 . 1 1 2 2 SER C C 2 174.400 174.400 175.057 -0.657 19625
3403 1 6 . 1 1 2 2 SER CA C 2 59.200 59.200 57.985 1.215 19625
3404 1 6 . 1 1 2 2 SER CB C 2 64.800 64.800 64.398 0.402 19625
3405 1 6 . 1 1 3 3 ARG N N 3 123.220 123.220 119.870 3.350 19625
3406 1 6 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.530 -0.300 19625
3407 1 6 . 1 1 3 3 ARG C C 3 176.320 176.320 175.042 1.278 19625
3408 1 6 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.355 0.945 19625
3409 1 6 . 1 1 3 3 ARG CB C 3 31.600 31.600 31.375 0.225 19625
3410 1 6 . 1 1 3 3 ARG H H 3 8.590 8.590 8.262 0.328 19625
3411 1 6 . 1 1 4 4 THR N N 4 114.540 114.540 115.709 -1.169 19625
3412 1 6 . 1 1 4 4 THR HA H 4 4.270 4.270 4.603 -0.333 19625
3413 1 6 . 1 1 4 4 THR C C 4 173.880 173.880 173.900 -0.020 19625
3414 1 6 . 1 1 4 4 THR CA C 4 62.200 62.200 61.949 0.251 19625
3415 1 6 . 1 1 4 4 THR CB C 4 70.700 70.700 69.718 0.982 19625
3416 1 6 . 1 1 4 4 THR H H 4 8.090 8.090 7.950 0.140 19625
3417 1 6 . 1 1 5 5 SER N N 5 117.410 117.410 119.785 -2.375 19625
3418 1 6 . 1 1 5 5 SER HA H 5 4.320 4.320 4.656 -0.336 19625
3419 1 6 . 1 1 5 5 SER C C 5 174.020 174.020 174.102 -0.082 19625
3420 1 6 . 1 1 5 5 SER CA C 5 58.900 58.900 58.695 0.205 19625
3421 1 6 . 1 1 5 5 SER CB C 5 64.700 64.700 64.164 0.536 19625
3422 1 6 . 1 1 5 5 SER H H 5 8.100 8.100 8.461 -0.361 19625
3423 1 6 . 1 1 6 6 ARG N N 6 122.330 122.330 123.337 -1.007 19625
3424 1 6 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.754 -0.464 19625
3425 1 6 . 1 1 6 6 ARG C C 6 176.850 176.850 176.171 0.679 19625
3426 1 6 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.370 2.030 19625
3427 1 6 . 1 1 6 6 ARG CB C 6 33.400 33.400 31.090 2.310 19625
3428 1 6 . 1 1 6 6 ARG H H 6 8.100 8.100 7.950 0.150 19625
3429 1 6 . 1 1 7 7 ILE N N 7 115.270 115.270 114.064 1.206 19625
3430 1 6 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.525 0.045 19625
3431 1 6 . 1 1 7 7 ILE C C 7 177.060 177.060 174.563 2.497 19625
3432 1 6 . 1 1 7 7 ILE CA C 7 62.230 62.230 59.614 2.616 19625
3433 1 6 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.625 0.555 19625
3434 1 6 . 1 1 7 7 ILE H H 7 8.550 8.550 8.040 0.510 19625
3435 1 6 . 1 1 8 8 THR N N 8 120.840 120.840 116.487 4.353 19625
3436 1 6 . 1 1 8 8 THR HA H 8 4.420 4.420 4.449 -0.029 19625
3437 1 6 . 1 1 8 8 THR C C 8 172.530 172.530 172.950 -0.420 19625
3438 1 6 . 1 1 8 8 THR CA C 8 63.100 63.100 61.457 1.643 19625
3439 1 6 . 1 1 8 8 THR CB C 8 69.000 69.000 70.667 -1.667 19625
3440 1 6 . 1 1 8 8 THR H H 8 8.030 8.030 7.900 0.130 19625
3441 1 6 . 1 1 9 9 ALA N N 9 129.200 129.200 128.016 1.184 19625
3442 1 6 . 1 1 9 9 ALA HA H 9 4.780 4.780 4.998 -0.218 19625
3443 1 6 . 1 1 9 9 ALA C C 9 173.980 173.980 174.737 -0.757 19625
3444 1 6 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.521 0.779 19625
3445 1 6 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.027 2.373 19625
3446 1 6 . 1 1 9 9 ALA H H 9 9.210 9.210 9.080 0.130 19625
3447 1 6 . 1 1 10 10 LEU N N 10 124.830 124.830 128.222 -3.392 19625
3448 1 6 . 1 1 10 10 LEU HA H 10 4.830 4.830 4.977 -0.147 19625
3449 1 6 . 1 1 10 10 LEU C C 10 174.400 174.400 174.528 -0.128 19625
3450 1 6 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.792 0.008 19625
3451 1 6 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.058 -2.558 19625
3452 1 6 . 1 1 10 10 LEU H H 10 8.720 8.720 8.917 -0.197 19625
3453 1 6 . 1 1 11 11 TYR N N 11 122.470 122.470 128.207 -5.737 19625
3454 1 6 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.593 0.237 19625
3455 1 6 . 1 1 11 11 TYR C C 11 174.120 174.120 173.151 0.969 19625
3456 1 6 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.538 1.562 19625
3457 1 6 . 1 1 11 11 TYR CB C 11 41.500 41.500 42.005 -0.505 19625
3458 1 6 . 1 1 11 11 TYR H H 11 8.000 8.000 8.664 -0.664 19625
3459 1 6 . 1 1 12 12 GLU N N 12 121.360 121.360 125.613 -4.253 19625
3460 1 6 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.349 -0.149 19625
3461 1 6 . 1 1 12 12 GLU C C 12 172.720 172.720 173.949 -1.229 19625
3462 1 6 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.181 1.520 19625
3463 1 6 . 1 1 12 12 GLU CB C 12 30.400 30.400 34.430 -4.030 19625
3464 1 6 . 1 1 12 12 GLU H H 12 7.870 7.870 8.282 -0.412 19625
3465 1 6 . 1 1 13 13 ARG N N 13 118.180 118.180 123.153 -4.973 19625
3466 1 6 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.812 0.058 19625
3467 1 6 . 1 1 13 13 ARG C C 13 174.680 174.680 174.453 0.227 19625
3468 1 6 . 1 1 13 13 ARG CA C 13 55.800 55.800 54.812 0.988 19625
3469 1 6 . 1 1 13 13 ARG CB C 13 35.360 35.360 32.437 2.923 19625
3470 1 6 . 1 1 13 13 ARG H H 13 7.290 7.290 8.364 -1.074 19625
3471 1 6 . 1 1 14 14 LEU N N 14 131.070 131.070 127.285 3.785 19625
3472 1 6 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.703 -0.313 19625
3473 1 6 . 1 1 14 14 LEU C C 14 172.930 172.930 174.860 -1.930 19625
3474 1 6 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.885 2.515 19625
3475 1 6 . 1 1 14 14 LEU CB C 14 47.800 47.800 43.936 3.864 19625
3476 1 6 . 1 1 14 14 LEU H H 14 8.010 8.010 8.467 -0.457 19625
3477 1 6 . 1 1 15 15 SER N N 15 118.940 118.940 119.594 -0.654 19625
3478 1 6 . 1 1 15 15 SER HA H 15 4.520 4.520 4.652 -0.132 19625
3479 1 6 . 1 1 15 15 SER C C 15 175.380 175.380 175.174 0.206 19625
3480 1 6 . 1 1 15 15 SER CA C 15 58.300 58.300 57.034 1.266 19625
3481 1 6 . 1 1 15 15 SER CB C 15 65.300 65.300 64.520 0.780 19625
3482 1 6 . 1 1 15 15 SER H H 15 8.580 8.580 8.642 -0.062 19625
3483 1 6 . 1 1 16 16 ARG N N 16 123.190 123.190 127.533 -4.343 19625
3484 1 6 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.322 -0.362 19625
3485 1 6 . 1 1 16 16 ARG C C 16 177.410 177.410 176.591 0.819 19625
3486 1 6 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.517 1.983 19625
3487 1 6 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.222 0.178 19625
3488 1 6 . 1 1 16 16 ARG H H 16 8.980 8.980 8.846 0.134 19625
3489 1 6 . 1 1 17 17 ASP N N 17 115.110 115.110 117.642 -2.532 19625
3490 1 6 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.750 -0.450 19625
3491 1 6 . 1 1 17 17 ASP C C 17 176.090 176.090 176.226 -0.136 19625
3492 1 6 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.204 0.396 19625
3493 1 6 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.958 -0.858 19625
3494 1 6 . 1 1 17 17 ASP H H 17 8.160 8.160 7.683 0.477 19625
3495 1 6 . 1 1 18 18 ASP N N 18 119.390 119.390 121.223 -1.833 19625
3496 1 6 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.630 -0.330 19625
3497 1 6 . 1 1 18 18 ASP C C 18 175.750 175.750 176.904 -1.154 19625
3498 1 6 . 1 1 18 18 ASP CA C 18 56.300 56.300 53.984 2.316 19625
3499 1 6 . 1 1 18 18 ASP CB C 18 42.740 42.740 41.682 1.058 19625
3500 1 6 . 1 1 18 18 ASP H H 18 7.240 7.240 7.526 -0.286 19625
3501 1 6 . 1 1 19 19 ASP N N 19 117.850 117.850 117.908 -0.058 19625
3502 1 6 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.482 -0.252 19625
3503 1 6 . 1 1 19 19 ASP C C 19 175.300 175.300 175.178 0.122 19625
3504 1 6 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.695 1.335 19625
3505 1 6 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.395 0.665 19625
3506 1 6 . 1 1 19 19 ASP H H 19 8.000 8.000 8.549 -0.549 19625
3507 1 6 . 1 1 20 20 LEU N N 20 120.230 120.230 117.385 2.845 19625
3508 1 6 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.682 -0.302 19625
3509 1 6 . 1 1 20 20 LEU C C 20 176.830 176.830 175.876 0.954 19625
3510 1 6 . 1 1 20 20 LEU CA C 20 55.100 55.100 54.257 0.843 19625
3511 1 6 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.983 0.497 19625
3512 1 6 . 1 1 20 20 LEU H H 20 7.960 7.960 7.270 0.690 19625
3513 1 6 . 1 1 21 21 THR N N 21 113.040 113.040 111.744 1.296 19625
3514 1 6 . 1 1 21 21 THR HA H 21 4.290 4.290 4.816 -0.526 19625
3515 1 6 . 1 1 21 21 THR C C 21 174.900 174.900 174.079 0.821 19625
3516 1 6 . 1 1 21 21 THR CA C 21 61.970 61.970 61.448 0.522 19625
3517 1 6 . 1 1 21 21 THR CB C 21 71.200 71.200 69.433 1.767 19625
3518 1 6 . 1 1 21 21 THR H H 21 8.070 8.070 8.245 -0.175 19625
3519 1 6 . 1 1 22 22 GLY N N 22 110.100 110.100 110.895 -0.795 19625
3520 1 6 . 1 1 22 22 GLY C C 22 175.110 175.110 173.904 1.206 19625
3521 1 6 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.112 0.858 19625
3522 1 6 . 1 1 22 22 GLY H H 22 8.230 8.230 8.126 0.104 19625
3523 1 6 . 1 1 23 23 GLU N N 23 121.940 121.940 120.486 1.454 19625
3524 1 6 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.417 -0.417 19625
3525 1 6 . 1 1 23 23 GLU C C 23 178.200 178.200 177.306 0.894 19625
3526 1 6 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.474 1.426 19625
3527 1 6 . 1 1 23 23 GLU CB C 23 30.600 30.600 30.231 0.369 19625
3528 1 6 . 1 1 23 23 GLU H H 23 8.550 8.550 8.443 0.107 19625
3529 1 6 . 1 1 24 24 SER N N 24 114.930 114.930 114.040 0.890 19625
3530 1 6 . 1 1 24 24 SER HA H 24 3.990 3.990 4.158 -0.168 19625
3531 1 6 . 1 1 24 24 SER C C 24 174.000 174.000 174.111 -0.111 19625
3532 1 6 . 1 1 24 24 SER CA C 24 61.610 61.610 60.341 1.269 19625
3533 1 6 . 1 1 24 24 SER CB C 24 63.600 63.600 63.048 0.552 19625
3534 1 6 . 1 1 24 24 SER H H 24 8.290 8.290 8.226 0.064 19625
3535 1 6 . 1 1 25 25 ASN N N 25 117.820 117.820 115.887 1.933 19625
3536 1 6 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.785 -0.055 19625
3537 1 6 . 1 1 25 25 ASN C C 25 174.380 174.380 174.544 -0.164 19625
3538 1 6 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.527 0.573 19625
3539 1 6 . 1 1 25 25 ASN CB C 25 40.800 40.800 38.016 2.784 19625
3540 1 6 . 1 1 25 25 ASN H H 25 7.620 7.620 8.001 -0.381 19625
3541 1 6 . 1 1 26 26 SER N N 26 115.050 115.050 116.430 -1.380 19625
3542 1 6 . 1 1 26 26 SER HA H 26 4.140 4.140 4.568 -0.428 19625
3543 1 6 . 1 1 26 26 SER C C 26 174.660 174.660 173.941 0.719 19625
3544 1 6 . 1 1 26 26 SER CA C 26 58.500 58.500 58.021 0.479 19625
3545 1 6 . 1 1 26 26 SER CB C 26 65.000 65.000 64.872 0.128 19625
3546 1 6 . 1 1 26 26 SER H H 26 7.510 7.510 7.958 -0.448 19625
3547 1 6 . 1 1 27 27 ILE N N 27 124.200 124.200 120.543 3.657 19625
3548 1 6 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.556 -0.096 19625
3549 1 6 . 1 1 27 27 ILE C C 27 177.540 177.540 176.835 0.705 19625
3550 1 6 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.833 -1.393 19625
3551 1 6 . 1 1 27 27 ILE CB C 27 36.400 36.400 35.818 0.582 19625
3552 1 6 . 1 1 27 27 ILE H H 27 8.960 8.960 8.502 0.458 19625
3553 1 6 . 1 1 28 28 THR N N 28 114.810 114.810 115.654 -0.844 19625
3554 1 6 . 1 1 28 28 THR HA H 28 3.510 3.510 3.958 -0.448 19625
3555 1 6 . 1 1 28 28 THR C C 28 176.210 176.210 176.139 0.071 19625
3556 1 6 . 1 1 28 28 THR CA C 28 67.300 67.300 66.649 0.651 19625
3557 1 6 . 1 1 28 28 THR CB C 28 69.240 69.240 68.637 0.603 19625
3558 1 6 . 1 1 28 28 THR H H 28 8.030 8.030 8.263 -0.233 19625
3559 1 6 . 1 1 29 29 ASN N N 29 120.670 120.670 118.064 2.606 19625
3560 1 6 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.469 -0.069 19625
3561 1 6 . 1 1 29 29 ASN C C 29 175.110 175.110 177.587 -2.477 19625
3562 1 6 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.622 0.478 19625
3563 1 6 . 1 1 29 29 ASN CB C 29 38.700 38.700 37.935 0.765 19625
3564 1 6 . 1 1 29 29 ASN H H 29 7.640 7.640 7.620 0.020 19625
3565 1 6 . 1 1 30 30 GLN N N 30 122.180 122.180 119.114 3.066 19625
3566 1 6 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.048 -0.198 19625
3567 1 6 . 1 1 30 30 GLN CA C 30 61.510 61.510 59.005 2.505 19625
3568 1 6 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.556 4.504 19625
3569 1 6 . 1 1 30 30 GLN H H 30 8.620 8.620 8.546 0.074 19625
3570 1 6 . 1 1 31 31 LYS N N 31 116.860 116.860 120.022 -3.162 19625
3571 1 6 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.170 -0.340 19625
3572 1 6 . 1 1 31 31 LYS C C 31 178.370 178.370 179.340 -0.970 19625
3573 1 6 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.791 1.509 19625
3574 1 6 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.279 1.301 19625
3575 1 6 . 1 1 31 31 LYS H H 31 8.230 8.230 8.215 0.015 19625
3576 1 6 . 1 1 32 32 LYS N N 32 117.720 117.720 119.415 -1.695 19625
3577 1 6 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.401 -0.551 19625
3578 1 6 . 1 1 32 32 LYS C C 32 177.840 177.840 179.199 -1.359 19625
3579 1 6 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.378 0.822 19625
3580 1 6 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.192 1.308 19625
3581 1 6 . 1 1 32 32 LYS H H 32 7.470 7.470 7.812 -0.342 19625
3582 1 6 . 1 1 33 33 TYR N N 33 120.230 120.230 121.960 -1.730 19625
3583 1 6 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.178 -0.038 19625
3584 1 6 . 1 1 33 33 TYR C C 33 178.990 178.990 177.524 1.466 19625
3585 1 6 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.062 -0.162 19625
3586 1 6 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.450 1.800 19625
3587 1 6 . 1 1 33 33 TYR H H 33 8.210 8.210 7.842 0.368 19625
3588 1 6 . 1 1 34 34 LEU N N 34 117.680 117.680 117.995 -0.315 19625
3589 1 6 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.908 -0.128 19625
3590 1 6 . 1 1 34 34 LEU C C 34 178.370 178.370 179.257 -0.887 19625
3591 1 6 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.073 1.927 19625
3592 1 6 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.385 2.615 19625
3593 1 6 . 1 1 34 34 LEU H H 34 8.270 8.270 8.147 0.123 19625
3594 1 6 . 1 1 35 35 GLU N N 35 120.040 120.040 120.382 -0.342 19625
3595 1 6 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.948 -0.348 19625
3596 1 6 . 1 1 35 35 GLU C C 35 178.480 178.480 178.778 -0.298 19625
3597 1 6 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.064 1.436 19625
3598 1 6 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.532 0.868 19625
3599 1 6 . 1 1 35 35 GLU H H 35 8.490 8.490 8.114 0.376 19625
3600 1 6 . 1 1 36 36 ASP N N 36 119.540 119.540 118.931 0.609 19625
3601 1 6 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.338 -0.138 19625
3602 1 6 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.510 0.890 19625
3603 1 6 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.703 0.697 19625
3604 1 6 . 1 1 36 36 ASP H H 36 8.410 8.410 8.288 0.122 19625
3605 1 6 . 1 1 37 37 TYR N N 37 120.120 120.120 120.606 -0.486 19625
3606 1 6 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.159 -0.579 19625
3607 1 6 . 1 1 37 37 TYR C C 37 178.270 178.270 176.789 1.481 19625
3608 1 6 . 1 1 37 37 TYR CA C 37 63.000 63.000 60.917 2.083 19625
3609 1 6 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.547 1.113 19625
3610 1 6 . 1 1 37 37 TYR H H 37 7.560 7.560 7.265 0.295 19625
3611 1 6 . 1 1 38 38 ALA N N 38 122.290 122.290 121.201 1.089 19625
3612 1 6 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.300 -0.380 19625
3613 1 6 . 1 1 38 38 ALA C C 38 178.770 178.770 179.666 -0.896 19625
3614 1 6 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.508 0.592 19625
3615 1 6 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.376 0.524 19625
3616 1 6 . 1 1 38 38 ALA H H 38 8.740 8.740 9.092 -0.352 19625
3617 1 6 . 1 1 39 39 ARG N N 39 117.070 117.070 116.685 0.385 19625
3618 1 6 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.093 -0.153 19625
3619 1 6 . 1 1 39 39 ARG C C 39 180.550 180.550 178.421 2.129 19625
3620 1 6 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.220 1.980 19625
3621 1 6 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.051 0.549 19625
3622 1 6 . 1 1 39 39 ARG H H 39 8.390 8.390 8.341 0.049 19625
3623 1 6 . 1 1 40 40 ARG N N 40 118.990 118.990 118.185 0.805 19625
3624 1 6 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.048 -0.198 19625
3625 1 6 . 1 1 40 40 ARG C C 40 177.010 177.010 177.844 -0.834 19625
3626 1 6 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.152 1.348 19625
3627 1 6 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.488 1.212 19625
3628 1 6 . 1 1 40 40 ARG H H 40 8.030 8.030 7.782 0.248 19625
3629 1 6 . 1 1 41 41 ASN N N 41 113.570 113.570 116.107 -2.537 19625
3630 1 6 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.434 -0.114 19625
3631 1 6 . 1 1 41 41 ASN C C 41 173.550 173.550 175.369 -1.819 19625
3632 1 6 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.868 0.532 19625
3633 1 6 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.898 0.802 19625
3634 1 6 . 1 1 41 41 ASN H H 41 7.020 7.020 7.953 -0.933 19625
3635 1 6 . 1 1 42 42 GLY N N 42 106.670 106.670 107.956 -1.286 19625
3636 1 6 . 1 1 42 42 GLY C C 42 174.120 174.120 173.432 0.688 19625
3637 1 6 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.621 2.679 19625
3638 1 6 . 1 1 42 42 GLY H H 42 7.230 7.230 7.738 -0.508 19625
3639 1 6 . 1 1 43 43 PHE N N 43 119.360 119.360 119.660 -0.300 19625
3640 1 6 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.702 -0.362 19625
3641 1 6 . 1 1 43 43 PHE C C 43 174.900 174.900 175.388 -0.488 19625
3642 1 6 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.907 2.093 19625
3643 1 6 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.461 -0.961 19625
3644 1 6 . 1 1 43 43 PHE H H 43 7.870 7.870 8.281 -0.411 19625
3645 1 6 . 1 1 44 44 GLU N N 44 119.760 119.760 121.877 -2.117 19625
3646 1 6 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.508 -0.138 19625
3647 1 6 . 1 1 44 44 GLU C C 44 175.870 175.870 176.441 -0.571 19625
3648 1 6 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.294 1.216 19625
3649 1 6 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.457 2.243 19625
3650 1 6 . 1 1 44 44 GLU H H 44 8.510 8.510 8.757 -0.247 19625
3651 1 6 . 1 1 45 45 ASN N N 45 118.280 118.280 115.854 2.426 19625
3652 1 6 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.367 -0.207 19625
3653 1 6 . 1 1 45 45 ASN C C 45 174.730 174.730 174.711 0.019 19625
3654 1 6 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.340 -0.140 19625
3655 1 6 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.871 0.829 19625
3656 1 6 . 1 1 45 45 ASN H H 45 8.710 8.710 8.791 -0.081 19625
3657 1 6 . 1 1 46 46 ILE N N 46 117.440 117.440 119.121 -1.681 19625
3658 1 6 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.821 0.559 19625
3659 1 6 . 1 1 46 46 ILE C C 46 177.370 177.370 175.522 1.848 19625
3660 1 6 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.295 0.005 19625
3661 1 6 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.136 3.764 19625
3662 1 6 . 1 1 46 46 ILE H H 46 7.840 7.840 8.196 -0.356 19625
3663 1 6 . 1 1 47 47 ARG N N 47 126.600 126.600 128.200 -1.600 19625
3664 1 6 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.328 -0.078 19625
3665 1 6 . 1 1 47 47 ARG C C 47 173.900 173.900 174.729 -0.829 19625
3666 1 6 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.499 1.401 19625
3667 1 6 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.467 3.633 19625
3668 1 6 . 1 1 47 47 ARG H H 47 8.440 8.440 7.881 0.559 19625
3669 1 6 . 1 1 48 48 HIS N N 48 122.600 122.600 123.772 -1.172 19625
3670 1 6 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.841 0.339 19625
3671 1 6 . 1 1 48 48 HIS C C 48 175.370 175.370 174.934 0.436 19625
3672 1 6 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.358 2.142 19625
3673 1 6 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.011 2.489 19625
3674 1 6 . 1 1 48 48 HIS H H 48 8.530 8.530 8.628 -0.098 19625
3675 1 6 . 1 1 49 49 PHE N N 49 124.090 124.090 126.520 -2.430 19625
3676 1 6 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.816 -0.336 19625
3677 1 6 . 1 1 49 49 PHE C C 49 173.760 173.760 175.091 -1.331 19625
3678 1 6 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.518 1.882 19625
3679 1 6 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.705 3.795 19625
3680 1 6 . 1 1 49 49 PHE H H 49 9.340 9.340 9.478 -0.138 19625
3681 1 6 . 1 1 50 50 THR N N 50 117.900 117.900 118.032 -0.132 19625
3682 1 6 . 1 1 50 50 THR HA H 50 4.720 4.720 4.398 0.322 19625
3683 1 6 . 1 1 50 50 THR C C 50 172.640 172.640 173.786 -1.146 19625
3684 1 6 . 1 1 50 50 THR CA C 50 63.200 63.200 62.610 0.590 19625
3685 1 6 . 1 1 50 50 THR CB C 50 72.300 72.300 70.241 2.059 19625
3686 1 6 . 1 1 50 50 THR H H 50 8.530 8.530 8.333 0.197 19625
3687 1 6 . 1 1 51 51 ASP N N 51 127.240 127.240 123.531 3.709 19625
3688 1 6 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.274 0.996 19625
3689 1 6 . 1 1 51 51 ASP C C 51 173.530 173.530 173.863 -0.333 19625
3690 1 6 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.828 2.172 19625
3691 1 6 . 1 1 51 51 ASP CB C 51 44.300 44.300 43.219 1.081 19625
3692 1 6 . 1 1 51 51 ASP H H 51 8.560 8.560 8.366 0.194 19625
3693 1 6 . 1 1 52 52 ASP N N 52 125.700 125.700 123.484 2.216 19625
3694 1 6 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.513 -0.003 19625
3695 1 6 . 1 1 52 52 ASP C C 52 175.090 175.090 175.930 -0.840 19625
3696 1 6 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.128 0.722 19625
3697 1 6 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.088 0.012 19625
3698 1 6 . 1 1 52 52 ASP H H 52 9.210 9.210 7.294 1.916 19625
3699 1 6 . 1 1 53 53 GLY N N 53 113.640 113.640 113.444 0.196 19625
3700 1 6 . 1 1 53 53 GLY C C 53 173.950 173.950 174.902 -0.952 19625
3701 1 6 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.769 0.831 19625
3702 1 6 . 1 1 53 53 GLY H H 53 8.660 8.660 8.407 0.253 19625
3703 1 6 . 1 1 54 54 PHE N N 54 116.490 116.490 118.799 -2.309 19625
3704 1 6 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.672 -0.192 19625
3705 1 6 . 1 1 54 54 PHE C C 54 174.240 174.240 176.187 -1.947 19625
3706 1 6 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.869 1.331 19625
3707 1 6 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.564 3.336 19625
3708 1 6 . 1 1 54 54 PHE H H 54 6.780 6.780 7.750 -0.970 19625
3709 1 6 . 1 1 55 55 SER N N 55 118.160 118.160 115.196 2.964 19625
3710 1 6 . 1 1 55 55 SER HA H 55 4.190 4.190 4.757 -0.567 19625
3711 1 6 . 1 1 55 55 SER C C 55 175.490 175.490 174.912 0.578 19625
3712 1 6 . 1 1 55 55 SER CA C 55 59.000 59.000 57.891 1.109 19625
3713 1 6 . 1 1 55 55 SER CB C 55 63.600 63.600 64.761 -1.161 19625
3714 1 6 . 1 1 55 55 SER H H 55 8.620 8.620 8.513 0.107 19625
3715 1 6 . 1 1 56 56 GLY N N 56 113.640 113.640 109.466 4.174 19625
3716 1 6 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.545 0.255 19625
3717 1 6 . 1 1 56 56 GLY H H 56 8.990 8.990 8.693 0.297 19625
3718 1 6 . 1 1 57 57 VAL N N 57 118.020 118.020 118.403 -0.383 19625
3719 1 6 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.026 -0.406 19625
3720 1 6 . 1 1 57 57 VAL C C 57 173.800 173.800 175.513 -1.713 19625
3721 1 6 . 1 1 57 57 VAL CA C 57 64.550 64.550 62.401 2.149 19625
3722 1 6 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.711 -0.100 19625
3723 1 6 . 1 1 57 57 VAL H H 57 8.250 8.250 7.824 0.426 19625
3724 1 6 . 1 1 58 58 ASN N N 58 112.780 112.780 113.669 -0.889 19625
3725 1 6 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.350 0.130 19625
3726 1 6 . 1 1 58 58 ASN C C 58 174.310 174.310 173.720 0.590 19625
3727 1 6 . 1 1 58 58 ASN CA C 58 52.520 52.520 51.827 0.693 19625
3728 1 6 . 1 1 58 58 ASN CB C 58 41.900 41.900 39.262 2.638 19625
3729 1 6 . 1 1 58 58 ASN H H 58 6.830 6.830 7.627 -0.797 19625
3730 1 6 . 1 1 59 59 PHE N N 59 118.570 118.570 119.336 -0.766 19625
3731 1 6 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.645 0.295 19625
3732 1 6 . 1 1 59 59 PHE C C 59 175.310 175.310 174.622 0.688 19625
3733 1 6 . 1 1 59 59 PHE CA C 59 59.300 59.300 57.421 1.879 19625
3734 1 6 . 1 1 59 59 PHE CB C 59 38.600 38.600 39.337 -0.737 19625
3735 1 6 . 1 1 59 59 PHE H H 59 8.950 8.950 8.181 0.769 19625
3736 1 6 . 1 1 60 60 ASN N N 60 124.690 124.690 117.240 7.450 19625
3737 1 6 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.356 0.374 19625
3738 1 6 . 1 1 60 60 ASN C C 60 172.860 172.860 173.171 -0.311 19625
3739 1 6 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.153 -0.153 19625
3740 1 6 . 1 1 60 60 ASN CB C 60 37.100 37.100 38.132 -1.032 19625
3741 1 6 . 1 1 60 60 ASN H H 60 8.620 8.620 7.547 1.073 19625
3742 1 6 . 1 1 61 61 ARG N N 61 119.260 119.260 119.536 -0.276 19625
3743 1 6 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.712 -0.312 19625
3744 1 6 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.771 -3.181 19625
3745 1 6 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.104 1.956 19625
3746 1 6 . 1 1 61 61 ARG H H 61 7.440 7.440 7.860 -0.420 19625
3747 1 6 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.406 -0.256 19625
3748 1 6 . 1 1 62 62 PRO C C 62 179.790 179.790 178.637 1.153 19625
3749 1 6 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.073 0.127 19625
3750 1 6 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.070 0.830 19625
3751 1 6 . 1 1 63 63 GLY N N 63 117.020 117.020 107.133 9.887 19625
3752 1 6 . 1 1 63 63 GLY C C 63 176.580 176.580 176.507 0.073 19625
3753 1 6 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.371 0.329 19625
3754 1 6 . 1 1 63 63 GLY H H 63 10.740 10.740 8.985 1.755 19625
3755 1 6 . 1 1 64 64 PHE N N 64 125.390 125.390 122.584 2.806 19625
3756 1 6 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.033 -0.473 19625
3757 1 6 . 1 1 64 64 PHE C C 64 176.330 176.330 176.717 -0.387 19625
3758 1 6 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.745 3.555 19625
3759 1 6 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.759 1.841 19625
3760 1 6 . 1 1 64 64 PHE H H 64 9.180 9.180 8.142 1.038 19625
3761 1 6 . 1 1 65 65 GLN N N 65 115.560 115.560 118.588 -3.028 19625
3762 1 6 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.045 -0.355 19625
3763 1 6 . 1 1 65 65 GLN C C 65 179.240 179.240 178.760 0.480 19625
3764 1 6 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.157 0.943 19625
3765 1 6 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.282 0.118 19625
3766 1 6 . 1 1 65 65 GLN H H 65 8.480 8.480 8.955 -0.475 19625
3767 1 6 . 1 1 66 66 SER N N 66 116.700 116.700 116.148 0.552 19625
3768 1 6 . 1 1 66 66 SER HA H 66 4.080 4.080 4.239 -0.159 19625
3769 1 6 . 1 1 66 66 SER C C 66 175.920 175.920 176.222 -0.302 19625
3770 1 6 . 1 1 66 66 SER CA C 66 62.930 62.930 61.864 1.065 19625
3771 1 6 . 1 1 66 66 SER CB C 66 63.880 63.880 63.354 0.526 19625
3772 1 6 . 1 1 66 66 SER H H 66 8.010 8.010 7.630 0.380 19625
3773 1 6 . 1 1 67 67 LEU N N 67 124.100 124.100 122.262 1.838 19625
3774 1 6 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.505 0.315 19625
3775 1 6 . 1 1 67 67 LEU C C 67 177.790 177.790 177.940 -0.150 19625
3776 1 6 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.229 1.171 19625
3777 1 6 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.616 0.484 19625
3778 1 6 . 1 1 67 67 LEU H H 67 7.830 7.830 7.443 0.387 19625
3779 1 6 . 1 1 68 68 ILE N N 68 118.610 118.610 118.463 0.147 19625
3780 1 6 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.540 -0.300 19625
3781 1 6 . 1 1 68 68 ILE C C 68 177.730 177.730 177.813 -0.083 19625
3782 1 6 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.800 -1.700 19625
3783 1 6 . 1 1 68 68 ILE CB C 68 35.100 35.100 36.677 -1.577 19625
3784 1 6 . 1 1 68 68 ILE H H 68 8.030 8.030 8.354 -0.324 19625
3785 1 6 . 1 1 69 69 LYS N N 69 120.680 120.680 120.985 -0.305 19625
3786 1 6 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.048 -0.148 19625
3787 1 6 . 1 1 69 69 LYS C C 69 180.050 180.050 178.959 1.091 19625
3788 1 6 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.869 0.931 19625
3789 1 6 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.841 0.759 19625
3790 1 6 . 1 1 69 69 LYS H H 69 7.500 7.500 8.397 -0.897 19625
3791 1 6 . 1 1 70 70 GLU N N 70 118.700 118.700 118.845 -0.145 19625
3792 1 6 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.174 -0.114 19625
3793 1 6 . 1 1 70 70 GLU C C 70 178.860 178.860 178.745 0.115 19625
3794 1 6 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.611 0.889 19625
3795 1 6 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.304 0.396 19625
3796 1 6 . 1 1 70 70 GLU H H 70 7.300 7.300 7.697 -0.397 19625
3797 1 6 . 1 1 71 71 VAL N N 71 121.570 121.570 119.400 2.170 19625
3798 1 6 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.468 0.012 19625
3799 1 6 . 1 1 71 71 VAL C C 71 180.380 180.380 178.519 1.861 19625
3800 1 6 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.729 -0.629 19625
3801 1 6 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.358 0.842 19625
3802 1 6 . 1 1 71 71 VAL H H 71 8.380 8.380 7.429 0.951 19625
3803 1 6 . 1 1 72 72 GLU N N 72 120.090 120.090 120.002 0.088 19625
3804 1 6 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.042 -0.482 19625
3805 1 6 . 1 1 72 72 GLU C C 72 177.470 177.470 178.124 -0.654 19625
3806 1 6 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.813 1.987 19625
3807 1 6 . 1 1 72 72 GLU CB C 72 30.440 30.440 28.922 1.518 19625
3808 1 6 . 1 1 72 72 GLU H H 72 9.010 9.010 8.660 0.350 19625
3809 1 6 . 1 1 73 73 ALA N N 73 118.560 118.560 120.250 -1.690 19625
3810 1 6 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.256 -0.136 19625
3811 1 6 . 1 1 73 73 ALA C C 73 177.350 177.350 178.026 -0.676 19625
3812 1 6 . 1 1 73 73 ALA CA C 73 53.400 53.400 51.909 1.491 19625
3813 1 6 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.350 1.650 19625
3814 1 6 . 1 1 73 73 ALA H H 73 7.320 7.320 7.360 -0.040 19625
3815 1 6 . 1 1 74 74 GLY N N 74 105.060 105.060 107.965 -2.905 19625
3816 1 6 . 1 1 74 74 GLY C C 74 176.280 176.280 173.952 2.328 19625
3817 1 6 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.589 0.911 19625
3818 1 6 . 1 1 74 74 GLY H H 74 7.690 7.690 7.795 -0.105 19625
3819 1 6 . 1 1 75 75 ASN N N 75 115.690 115.690 117.865 -2.175 19625
3820 1 6 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.770 -0.070 19625
3821 1 6 . 1 1 75 75 ASN C C 75 174.100 174.100 175.688 -1.588 19625
3822 1 6 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.705 0.695 19625
3823 1 6 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.458 0.142 19625
3824 1 6 . 1 1 75 75 ASN H H 75 7.710 7.710 8.211 -0.501 19625
3825 1 6 . 1 1 76 76 VAL N N 76 120.710 120.710 124.382 -3.672 19625
3826 1 6 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.819 0.131 19625
3827 1 6 . 1 1 76 76 VAL C C 76 173.190 173.190 175.627 -2.437 19625
3828 1 6 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.394 -0.694 19625
3829 1 6 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.942 3.258 19625
3830 1 6 . 1 1 76 76 VAL H H 76 8.150 8.150 7.591 0.559 19625
3831 1 6 . 1 1 77 77 GLU N N 77 127.930 127.930 125.117 2.813 19625
3832 1 6 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.661 -0.341 19625
3833 1 6 . 1 1 77 77 GLU C C 77 175.850 175.850 175.658 0.192 19625
3834 1 6 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.415 2.185 19625
3835 1 6 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.572 1.528 19625
3836 1 6 . 1 1 77 77 GLU H H 77 9.040 9.040 9.071 -0.031 19625
3837 1 6 . 1 1 78 78 THR N N 78 115.080 115.080 112.868 2.212 19625
3838 1 6 . 1 1 78 78 THR HA H 78 5.010 5.010 4.578 0.432 19625
3839 1 6 . 1 1 78 78 THR C C 78 170.340 170.340 172.112 -1.772 19625
3840 1 6 . 1 1 78 78 THR CA C 78 61.500 61.500 61.196 0.305 19625
3841 1 6 . 1 1 78 78 THR CB C 78 72.100 72.100 71.435 0.665 19625
3842 1 6 . 1 1 78 78 THR H H 78 7.150 7.150 7.323 -0.173 19625
3843 1 6 . 1 1 79 79 LEU N N 79 130.190 130.190 124.745 5.445 19625
3844 1 6 . 1 1 79 79 LEU HA H 79 5.110 5.110 5.001 0.109 19625
3845 1 6 . 1 1 79 79 LEU C C 79 172.640 172.640 174.022 -1.382 19625
3846 1 6 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.482 0.718 19625
3847 1 6 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.980 1.320 19625
3848 1 6 . 1 1 79 79 LEU H H 79 8.810 8.810 8.507 0.303 19625
3849 1 6 . 1 1 80 80 ILE N N 80 125.290 125.290 127.012 -1.722 19625
3850 1 6 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.117 0.773 19625
3851 1 6 . 1 1 80 80 ILE C C 80 174.260 174.260 174.052 0.208 19625
3852 1 6 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.043 0.457 19625
3853 1 6 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.375 1.225 19625
3854 1 6 . 1 1 80 80 ILE H H 80 8.760 8.760 9.075 -0.315 19625
3855 1 6 . 1 1 81 81 VAL N N 81 114.530 114.530 125.902 -11.372 19625
3856 1 6 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.971 -0.061 19625
3857 1 6 . 1 1 81 81 VAL C C 81 175.310 175.310 176.294 -0.984 19625
3858 1 6 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.639 -0.539 19625
3859 1 6 . 1 1 81 81 VAL CB C 81 37.600 37.600 36.167 1.433 19625
3860 1 6 . 1 1 81 81 VAL H H 81 8.030 8.030 8.793 -0.763 19625
3861 1 6 . 1 1 82 82 LYS N N 82 122.730 122.730 123.485 -0.755 19625
3862 1 6 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.035 -0.385 19625
3863 1 6 . 1 1 82 82 LYS C C 82 174.470 174.470 175.323 -0.853 19625
3864 1 6 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.183 2.317 19625
3865 1 6 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.756 1.544 19625
3866 1 6 . 1 1 82 82 LYS H H 82 9.540 9.540 9.065 0.475 19625
3867 1 6 . 1 1 83 83 ASP N N 83 108.020 108.020 111.995 -3.975 19625
3868 1 6 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.724 -0.164 19625
3869 1 6 . 1 1 83 83 ASP C C 83 175.310 175.310 176.596 -1.286 19625
3870 1 6 . 1 1 83 83 ASP CA C 83 53.800 53.800 52.975 0.825 19625
3871 1 6 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.199 2.201 19625
3872 1 6 . 1 1 83 83 ASP H H 83 7.080 7.080 7.766 -0.686 19625
3873 1 6 . 1 1 84 84 MET N N 84 120.990 120.990 118.747 2.243 19625
3874 1 6 . 1 1 84 84 MET HA H 84 4.190 4.190 4.312 -0.122 19625
3875 1 6 . 1 1 84 84 MET C C 84 177.910 177.910 177.290 0.620 19625
3876 1 6 . 1 1 84 84 MET CA C 84 59.000 59.000 57.398 1.602 19625
3877 1 6 . 1 1 84 84 MET CB C 84 32.460 32.460 31.961 0.499 19625
3878 1 6 . 1 1 84 84 MET H H 84 9.290 9.290 8.795 0.495 19625
3879 1 6 . 1 1 85 85 SER N N 85 113.930 113.930 115.707 -1.777 19625
3880 1 6 . 1 1 85 85 SER HA H 85 4.310 4.310 4.226 0.084 19625
3881 1 6 . 1 1 85 85 SER C C 85 177.010 177.010 176.638 0.372 19625
3882 1 6 . 1 1 85 85 SER CA C 85 61.700 61.700 60.712 0.988 19625
3883 1 6 . 1 1 85 85 SER CB C 85 63.900 63.900 62.916 0.984 19625
3884 1 6 . 1 1 85 85 SER H H 85 8.520 8.520 8.488 0.032 19625
3885 1 6 . 1 1 86 86 ARG N N 86 120.920 120.920 121.610 -0.690 19625
3886 1 6 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.152 -0.432 19625
3887 1 6 . 1 1 86 86 ARG C C 86 179.510 179.510 178.454 1.056 19625
3888 1 6 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.414 0.946 19625
3889 1 6 . 1 1 86 86 ARG CB C 86 33.580 33.580 29.753 3.827 19625
3890 1 6 . 1 1 86 86 ARG H H 86 7.990 7.990 7.714 0.276 19625
3891 1 6 . 1 1 87 87 LEU N N 87 117.290 117.290 117.081 0.209 19625
3892 1 6 . 1 1 87 87 LEU HA H 87 3.910 3.910 4.057 -0.147 19625
3893 1 6 . 1 1 87 87 LEU C C 87 177.080 177.080 176.323 0.757 19625
3894 1 6 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.770 2.330 19625
3895 1 6 . 1 1 87 87 LEU CB C 87 43.700 43.700 43.016 0.684 19625
3896 1 6 . 1 1 87 87 LEU H H 87 7.400 7.400 8.266 -0.866 19625
3897 1 6 . 1 1 88 88 GLY N N 88 102.420 102.420 103.519 -1.099 19625
3898 1 6 . 1 1 88 88 GLY C C 88 169.840 169.840 173.198 -3.358 19625
3899 1 6 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.636 1.564 19625
3900 1 6 . 1 1 88 88 GLY H H 88 7.430 7.430 7.658 -0.228 19625
3901 1 6 . 1 1 89 89 ARG N N 89 115.910 115.910 118.895 -2.985 19625
3902 1 6 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.261 -0.221 19625
3903 1 6 . 1 1 89 89 ARG C C 89 177.540 177.540 176.530 1.010 19625
3904 1 6 . 1 1 89 89 ARG CA C 89 57.000 57.000 56.923 0.077 19625
3905 1 6 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.449 2.161 19625
3906 1 6 . 1 1 89 89 ARG H H 89 7.160 7.160 8.593 -1.433 19625
3907 1 6 . 1 1 90 90 ASN N N 90 117.420 117.420 120.389 -2.969 19625
3908 1 6 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.617 0.003 19625
3909 1 6 . 1 1 90 90 ASN C C 90 175.420 175.420 175.533 -0.113 19625
3910 1 6 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.111 0.239 19625
3911 1 6 . 1 1 90 90 ASN CB C 90 39.460 39.460 36.834 2.626 19625
3912 1 6 . 1 1 90 90 ASN H H 90 7.930 7.930 8.485 -0.555 19625
3913 1 6 . 1 1 91 91 TYR N N 91 126.420 126.420 124.193 2.227 19625
3914 1 6 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.111 -0.121 19625
3915 1 6 . 1 1 91 91 TYR C C 91 177.470 177.470 176.827 0.643 19625
3916 1 6 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.916 0.054 19625
3917 1 6 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.544 -0.254 19625
3918 1 6 . 1 1 91 91 TYR H H 91 8.590 8.590 8.539 0.051 19625
3919 1 6 . 1 1 92 92 LEU N N 92 121.090 121.090 120.006 1.084 19625
3920 1 6 . 1 1 92 92 LEU HA H 92 3.840 3.840 4.026 -0.186 19625
3921 1 6 . 1 1 92 92 LEU C C 92 179.580 179.580 179.034 0.546 19625
3922 1 6 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.361 0.139 19625
3923 1 6 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.272 0.928 19625
3924 1 6 . 1 1 92 92 LEU H H 92 7.860 7.860 8.009 -0.149 19625
3925 1 6 . 1 1 93 93 GLN N N 93 117.490 117.490 118.504 -1.014 19625
3926 1 6 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.973 -0.033 19625
3927 1 6 . 1 1 93 93 GLN C C 93 178.630 178.630 178.995 -0.365 19625
3928 1 6 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.716 0.084 19625
3929 1 6 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.400 1.700 19625
3930 1 6 . 1 1 93 93 GLN H H 93 7.350 7.350 7.832 -0.482 19625
3931 1 6 . 1 1 94 94 VAL N N 94 118.580 118.580 118.469 0.111 19625
3932 1 6 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.065 -0.545 19625
3933 1 6 . 1 1 94 94 VAL C C 94 177.420 177.420 178.126 -0.706 19625
3934 1 6 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.075 1.425 19625
3935 1 6 . 1 1 94 94 VAL CB C 94 32.800 32.800 30.461 2.339 19625
3936 1 6 . 1 1 94 94 VAL H H 94 8.230 8.230 8.465 -0.235 19625
3937 1 6 . 1 1 95 95 GLY N N 95 106.450 106.450 108.245 -1.795 19625
3938 1 6 . 1 1 95 95 GLY C C 95 174.810 174.810 175.593 -0.783 19625
3939 1 6 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.831 -0.031 19625
3940 1 6 . 1 1 95 95 GLY H H 95 7.760 7.760 7.713 0.047 19625
3941 1 6 . 1 1 96 96 PHE N N 96 120.590 120.590 123.640 -3.050 19625
3942 1 6 . 1 1 96 96 PHE HA H 96 3.790 3.790 4.078 -0.288 19625
3943 1 6 . 1 1 96 96 PHE C C 96 176.780 176.780 176.681 0.099 19625
3944 1 6 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.476 1.624 19625
3945 1 6 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.502 0.798 19625
3946 1 6 . 1 1 96 96 PHE H H 96 7.000 7.000 8.088 -1.088 19625
3947 1 6 . 1 1 97 97 TYR N N 97 116.700 116.700 116.998 -0.298 19625
3948 1 6 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.695 -0.765 19625
3949 1 6 . 1 1 97 97 TYR C C 97 175.500 175.500 177.465 -1.965 19625
3950 1 6 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.236 0.464 19625
3951 1 6 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.693 0.107 19625
3952 1 6 . 1 1 97 97 TYR H H 97 7.030 7.030 7.794 -0.764 19625
3953 1 6 . 1 1 98 98 THR N N 98 104.710 104.710 110.502 -5.792 19625
3954 1 6 . 1 1 98 98 THR HA H 98 3.390 3.390 3.504 -0.114 19625
3955 1 6 . 1 1 98 98 THR C C 98 176.830 176.830 175.887 0.943 19625
3956 1 6 . 1 1 98 98 THR CA C 98 65.200 65.200 65.078 0.122 19625
3957 1 6 . 1 1 98 98 THR CB C 98 68.800 68.800 68.719 0.081 19625
3958 1 6 . 1 1 98 98 THR H H 98 7.540 7.540 7.572 -0.032 19625
3959 1 6 . 1 1 99 99 GLU N N 99 116.670 116.670 118.958 -2.288 19625
3960 1 6 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.262 -0.052 19625
3961 1 6 . 1 1 99 99 GLU C C 99 176.820 176.820 177.378 -0.558 19625
3962 1 6 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.951 -0.751 19625
3963 1 6 . 1 1 99 99 GLU CB C 99 30.700 30.700 29.895 0.805 19625
3964 1 6 . 1 1 99 99 GLU H H 99 8.390 8.390 8.326 0.064 19625
3965 1 6 . 1 1 100 100 VAL N N 100 117.330 117.330 117.748 -0.418 19625
3966 1 6 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.961 -0.141 19625
3967 1 6 . 1 1 100 100 VAL C C 100 176.200 176.200 176.592 -0.392 19625
3968 1 6 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.642 1.358 19625
3969 1 6 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.673 0.027 19625
3970 1 6 . 1 1 100 100 VAL H H 100 6.590 6.590 7.483 -0.893 19625
3971 1 6 . 1 1 101 101 LEU N N 101 120.390 120.390 120.877 -0.487 19625
3972 1 6 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.946 -0.326 19625
3973 1 6 . 1 1 101 101 LEU C C 101 177.510 177.510 179.479 -1.969 19625
3974 1 6 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.820 1.880 19625
3975 1 6 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.459 1.651 19625
3976 1 6 . 1 1 101 101 LEU H H 101 7.180 7.180 7.692 -0.512 19625
3977 1 6 . 1 1 102 102 PHE N N 102 114.030 114.030 117.563 -3.533 19625
3978 1 6 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.497 -0.147 19625
3979 1 6 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.077 -0.467 19625
3980 1 6 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.360 -1.590 19625
3981 1 6 . 1 1 102 102 PHE H H 102 8.660 8.660 9.081 -0.421 19625
3982 1 6 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.118 0.112 19625
3983 1 6 . 1 1 103 103 PRO C C 103 180.710 180.710 178.945 1.765 19625
3984 1 6 . 1 1 103 103 PRO CA C 103 66.800 66.800 65.997 0.803 19625
3985 1 6 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.129 0.531 19625
3986 1 6 . 1 1 104 104 GLN N N 104 117.110 117.110 117.529 -0.419 19625
3987 1 6 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.020 -0.140 19625
3988 1 6 . 1 1 104 104 GLN C C 104 177.700 177.700 177.284 0.416 19625
3989 1 6 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.332 1.368 19625
3990 1 6 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.396 1.004 19625
3991 1 6 . 1 1 104 104 GLN H H 104 7.290 7.290 7.982 -0.692 19625
3992 1 6 . 1 1 105 105 LYS N N 105 115.380 115.380 113.955 1.425 19625
3993 1 6 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.505 -0.185 19625
3994 1 6 . 1 1 105 105 LYS C C 105 174.880 174.880 175.783 -0.903 19625
3995 1 6 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.917 -1.117 19625
3996 1 6 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.921 -1.221 19625
3997 1 6 . 1 1 105 105 LYS H H 105 7.650 7.650 7.745 -0.095 19625
3998 1 6 . 1 1 106 106 ASN N N 106 116.100 116.100 117.913 -1.813 19625
3999 1 6 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.362 -0.222 19625
4000 1 6 . 1 1 106 106 ASN C C 106 173.400 173.400 173.312 0.088 19625
4001 1 6 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.875 1.325 19625
4002 1 6 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.275 -0.475 19625
4003 1 6 . 1 1 106 106 ASN H H 106 7.730 7.730 7.932 -0.202 19625
4004 1 6 . 1 1 107 107 VAL N N 107 119.060 119.060 122.658 -3.598 19625
4005 1 6 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.428 -0.698 19625
4006 1 6 . 1 1 107 107 VAL C C 107 175.280 175.280 174.950 0.330 19625
4007 1 6 . 1 1 107 107 VAL CA C 107 62.100 62.100 59.584 2.516 19625
4008 1 6 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.491 -0.291 19625
4009 1 6 . 1 1 107 107 VAL H H 107 7.970 7.970 8.529 -0.559 19625
4010 1 6 . 1 1 108 108 ARG N N 108 129.920 129.920 126.349 3.571 19625
4011 1 6 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.661 -0.491 19625
4012 1 6 . 1 1 108 108 ARG C C 108 173.020 173.020 174.773 -1.753 19625
4013 1 6 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.800 1.890 19625
4014 1 6 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.912 0.188 19625
4015 1 6 . 1 1 108 108 ARG H H 108 8.230 8.230 8.549 -0.319 19625
4016 1 6 . 1 1 109 109 PHE N N 109 129.390 129.390 124.742 4.648 19625
4017 1 6 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.947 0.163 19625
4018 1 6 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.345 -1.215 19625
4019 1 6 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.122 1.768 19625
4020 1 6 . 1 1 109 109 PHE H H 109 8.550 8.550 8.828 -0.278 19625
4021 1 6 . 1 1 110 110 LEU N N 110 130.220 130.220 126.594 3.626 19625
4022 1 6 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.861 -0.771 19625
4023 1 6 . 1 1 110 110 LEU C C 110 172.360 172.360 173.926 -1.566 19625
4024 1 6 . 1 1 110 110 LEU CA C 110 54.610 54.610 54.005 0.605 19625
4025 1 6 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.687 1.013 19625
4026 1 6 . 1 1 110 110 LEU H H 110 8.290 8.290 8.724 -0.434 19625
4027 1 6 . 1 1 111 111 ALA N N 111 123.890 123.890 130.201 -6.311 19625
4028 1 6 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.984 -0.404 19625
4029 1 6 . 1 1 111 111 ALA C C 111 177.470 177.470 177.729 -0.259 19625
4030 1 6 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.826 -1.026 19625
4031 1 6 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.532 0.468 19625
4032 1 6 . 1 1 111 111 ALA H H 111 7.590 7.590 8.609 -1.019 19625
4033 1 6 . 1 1 112 112 ILE N N 112 121.690 121.690 125.048 -3.358 19625
4034 1 6 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.729 -0.589 19625
4035 1 6 . 1 1 112 112 ILE C C 112 177.350 177.350 177.509 -0.159 19625
4036 1 6 . 1 1 112 112 ILE CA C 112 66.300 66.300 65.370 0.930 19625
4037 1 6 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.410 0.630 19625
4038 1 6 . 1 1 112 112 ILE H H 112 7.700 7.700 8.272 -0.572 19625
4039 1 6 . 1 1 113 113 ASN N N 113 116.220 116.220 117.558 -1.338 19625
4040 1 6 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.715 0.025 19625
4041 1 6 . 1 1 113 113 ASN C C 113 175.110 175.110 174.216 0.894 19625
4042 1 6 . 1 1 113 113 ASN CA C 113 53.610 53.610 54.098 -0.488 19625
4043 1 6 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.395 1.265 19625
4044 1 6 . 1 1 113 113 ASN H H 113 8.350 8.350 8.340 0.010 19625
4045 1 6 . 1 1 114 114 ASN N N 114 118.560 118.560 116.553 2.007 19625
4046 1 6 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.698 -0.098 19625
4047 1 6 . 1 1 114 114 ASN C C 114 174.870 174.870 173.461 1.409 19625
4048 1 6 . 1 1 114 114 ASN CA C 114 54.340 54.340 52.919 1.421 19625
4049 1 6 . 1 1 114 114 ASN CB C 114 40.600 40.600 39.793 0.807 19625
4050 1 6 . 1 1 114 114 ASN H H 114 8.110 8.110 7.336 0.774 19625
4051 1 6 . 1 1 115 115 SER N N 115 114.600 114.600 117.041 -2.441 19625
4052 1 6 . 1 1 115 115 SER HA H 115 4.320 4.320 4.674 -0.354 19625
4053 1 6 . 1 1 115 115 SER C C 115 174.120 174.120 174.699 -0.579 19625
4054 1 6 . 1 1 115 115 SER CA C 115 59.260 59.260 57.833 1.427 19625
4055 1 6 . 1 1 115 115 SER CB C 115 64.200 64.200 63.520 0.679 19625
4056 1 6 . 1 1 115 115 SER H H 115 8.010 8.010 8.639 -0.629 19625
4057 1 6 . 1 1 116 116 ILE N N 116 121.020 121.020 124.113 -3.093 19625
4058 1 6 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.984 0.036 19625
4059 1 6 . 1 1 116 116 ILE C C 116 175.590 175.590 175.560 0.030 19625
4060 1 6 . 1 1 116 116 ILE CA C 116 62.190 62.190 62.309 -0.119 19625
4061 1 6 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.442 1.458 19625
4062 1 6 . 1 1 116 116 ILE H H 116 7.920 7.920 8.467 -0.547 19625
4063 1 6 . 1 1 117 117 ASP N N 117 124.190 124.190 116.715 7.475 19625
4064 1 6 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.817 -0.227 19625
4065 1 6 . 1 1 117 117 ASP C C 117 174.870 174.870 174.598 0.272 19625
4066 1 6 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.986 0.793 19625
4067 1 6 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.563 0.927 19625
4068 1 6 . 1 1 117 117 ASP H H 117 8.160 8.160 8.368 -0.208 19625
4069 1 6 . 1 1 118 118 SER N N 118 116.920 116.920 115.986 0.934 19625
4070 1 6 . 1 1 118 118 SER HA H 118 4.250 4.250 4.731 -0.481 19625
4071 1 6 . 1 1 118 118 SER C C 118 174.260 174.260 174.553 -0.293 19625
4072 1 6 . 1 1 118 118 SER CA C 118 59.770 59.770 57.888 1.882 19625
4073 1 6 . 1 1 118 118 SER CB C 118 64.500 64.500 64.227 0.273 19625
4074 1 6 . 1 1 118 118 SER H H 118 8.220 8.220 8.016 0.204 19625
4075 1 6 . 1 1 119 119 ASN N N 119 120.830 120.830 119.507 1.323 19625
4076 1 6 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.821 -0.241 19625
4077 1 6 . 1 1 119 119 ASN C C 119 174.120 174.120 175.053 -0.933 19625
4078 1 6 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.098 1.102 19625
4079 1 6 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.646 0.054 19625
4080 1 6 . 1 1 119 119 ASN H H 119 8.330 8.330 8.474 -0.144 19625
4081 1 7 . 1 1 2 2 SER HA H 2 4.320 4.320 4.687 -0.367 19625
4082 1 7 . 1 1 2 2 SER C C 2 174.400 174.400 175.039 -0.639 19625
4083 1 7 . 1 1 2 2 SER CA C 2 59.200 59.200 58.127 1.073 19625
4084 1 7 . 1 1 2 2 SER CB C 2 64.800 64.800 63.964 0.836 19625
4085 1 7 . 1 1 3 3 ARG N N 3 123.220 123.220 122.085 1.135 19625
4086 1 7 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.713 -0.483 19625
4087 1 7 . 1 1 3 3 ARG C C 3 176.320 176.320 175.642 0.678 19625
4088 1 7 . 1 1 3 3 ARG CA C 3 57.300 57.300 55.901 1.399 19625
4089 1 7 . 1 1 3 3 ARG CB C 3 31.600 31.600 30.800 0.800 19625
4090 1 7 . 1 1 3 3 ARG H H 3 8.590 8.590 8.183 0.407 19625
4091 1 7 . 1 1 4 4 THR N N 4 114.540 114.540 115.079 -0.539 19625
4092 1 7 . 1 1 4 4 THR HA H 4 4.270 4.270 4.408 -0.138 19625
4093 1 7 . 1 1 4 4 THR C C 4 173.880 173.880 173.770 0.110 19625
4094 1 7 . 1 1 4 4 THR CA C 4 62.200 62.200 61.686 0.514 19625
4095 1 7 . 1 1 4 4 THR CB C 4 70.700 70.700 69.905 0.795 19625
4096 1 7 . 1 1 4 4 THR H H 4 8.090 8.090 8.200 -0.110 19625
4097 1 7 . 1 1 5 5 SER N N 5 117.410 117.410 118.382 -0.972 19625
4098 1 7 . 1 1 5 5 SER HA H 5 4.320 4.320 4.772 -0.452 19625
4099 1 7 . 1 1 5 5 SER C C 5 174.020 174.020 173.727 0.293 19625
4100 1 7 . 1 1 5 5 SER CA C 5 58.900 58.900 57.512 1.388 19625
4101 1 7 . 1 1 5 5 SER CB C 5 64.700 64.700 63.922 0.778 19625
4102 1 7 . 1 1 5 5 SER H H 5 8.100 8.100 8.320 -0.220 19625
4103 1 7 . 1 1 6 6 ARG N N 6 122.330 122.330 126.615 -4.285 19625
4104 1 7 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.492 -0.202 19625
4105 1 7 . 1 1 6 6 ARG C C 6 176.850 176.850 175.581 1.269 19625
4106 1 7 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.478 1.922 19625
4107 1 7 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.822 2.579 19625
4108 1 7 . 1 1 6 6 ARG H H 6 8.100 8.100 8.574 -0.474 19625
4109 1 7 . 1 1 7 7 ILE N N 7 115.270 115.270 112.568 2.702 19625
4110 1 7 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.528 0.042 19625
4111 1 7 . 1 1 7 7 ILE C C 7 177.060 177.060 174.224 2.836 19625
4112 1 7 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.244 1.986 19625
4113 1 7 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.528 0.652 19625
4114 1 7 . 1 1 7 7 ILE H H 7 8.550 8.550 8.724 -0.174 19625
4115 1 7 . 1 1 8 8 THR N N 8 120.840 120.840 117.311 3.529 19625
4116 1 7 . 1 1 8 8 THR HA H 8 4.420 4.420 4.436 -0.016 19625
4117 1 7 . 1 1 8 8 THR C C 8 172.530 172.530 173.256 -0.726 19625
4118 1 7 . 1 1 8 8 THR CA C 8 63.100 63.100 62.255 0.845 19625
4119 1 7 . 1 1 8 8 THR CB C 8 69.000 69.000 70.359 -1.359 19625
4120 1 7 . 1 1 8 8 THR H H 8 8.030 8.030 7.936 0.094 19625
4121 1 7 . 1 1 9 9 ALA N N 9 129.200 129.200 128.497 0.703 19625
4122 1 7 . 1 1 9 9 ALA HA H 9 4.780 4.780 4.961 -0.181 19625
4123 1 7 . 1 1 9 9 ALA C C 9 173.980 173.980 174.742 -0.762 19625
4124 1 7 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.550 0.750 19625
4125 1 7 . 1 1 9 9 ALA CB C 9 23.400 23.400 20.977 2.423 19625
4126 1 7 . 1 1 9 9 ALA H H 9 9.210 9.210 9.144 0.066 19625
4127 1 7 . 1 1 10 10 LEU N N 10 124.830 124.830 128.488 -3.658 19625
4128 1 7 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.060 -0.230 19625
4129 1 7 . 1 1 10 10 LEU C C 10 174.400 174.400 174.601 -0.201 19625
4130 1 7 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.625 0.175 19625
4131 1 7 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.070 -2.570 19625
4132 1 7 . 1 1 10 10 LEU H H 10 8.720 8.720 8.958 -0.238 19625
4133 1 7 . 1 1 11 11 TYR N N 11 122.470 122.470 127.857 -5.387 19625
4134 1 7 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.615 0.215 19625
4135 1 7 . 1 1 11 11 TYR C C 11 174.120 174.120 173.263 0.857 19625
4136 1 7 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.670 1.430 19625
4137 1 7 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.714 -0.214 19625
4138 1 7 . 1 1 11 11 TYR H H 11 8.000 8.000 8.680 -0.680 19625
4139 1 7 . 1 1 12 12 GLU N N 12 121.360 121.360 125.968 -4.608 19625
4140 1 7 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.360 -0.160 19625
4141 1 7 . 1 1 12 12 GLU C C 12 172.720 172.720 173.775 -1.055 19625
4142 1 7 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.749 0.951 19625
4143 1 7 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.795 -3.395 19625
4144 1 7 . 1 1 12 12 GLU H H 12 7.870 7.870 8.588 -0.718 19625
4145 1 7 . 1 1 13 13 ARG N N 13 118.180 118.180 121.204 -3.024 19625
4146 1 7 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.616 0.254 19625
4147 1 7 . 1 1 13 13 ARG C C 13 174.680 174.680 173.608 1.072 19625
4148 1 7 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.346 0.454 19625
4149 1 7 . 1 1 13 13 ARG CB C 13 35.360 35.360 33.034 2.326 19625
4150 1 7 . 1 1 13 13 ARG H H 13 7.290 7.290 8.411 -1.121 19625
4151 1 7 . 1 1 14 14 LEU N N 14 131.070 131.070 127.025 4.045 19625
4152 1 7 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.792 -0.402 19625
4153 1 7 . 1 1 14 14 LEU C C 14 172.930 172.930 174.786 -1.856 19625
4154 1 7 . 1 1 14 14 LEU CA C 14 56.400 56.400 54.022 2.378 19625
4155 1 7 . 1 1 14 14 LEU CB C 14 47.800 47.800 44.520 3.280 19625
4156 1 7 . 1 1 14 14 LEU H H 14 8.010 8.010 8.655 -0.645 19625
4157 1 7 . 1 1 15 15 SER N N 15 118.940 118.940 118.944 -0.004 19625
4158 1 7 . 1 1 15 15 SER HA H 15 4.520 4.520 4.669 -0.149 19625
4159 1 7 . 1 1 15 15 SER C C 15 175.380 175.380 174.941 0.439 19625
4160 1 7 . 1 1 15 15 SER CA C 15 58.300 58.300 56.928 1.372 19625
4161 1 7 . 1 1 15 15 SER CB C 15 65.300 65.300 64.586 0.714 19625
4162 1 7 . 1 1 15 15 SER H H 15 8.580 8.580 8.588 -0.008 19625
4163 1 7 . 1 1 16 16 ARG N N 16 123.190 123.190 127.507 -4.317 19625
4164 1 7 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.353 -0.393 19625
4165 1 7 . 1 1 16 16 ARG C C 16 177.410 177.410 176.945 0.465 19625
4166 1 7 . 1 1 16 16 ARG CA C 16 59.500 59.500 56.524 2.976 19625
4167 1 7 . 1 1 16 16 ARG CB C 16 30.400 30.400 29.602 0.797 19625
4168 1 7 . 1 1 16 16 ARG H H 16 8.980 8.980 8.812 0.168 19625
4169 1 7 . 1 1 17 17 ASP N N 17 115.110 115.110 118.274 -3.164 19625
4170 1 7 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.655 -0.355 19625
4171 1 7 . 1 1 17 17 ASP C C 17 176.090 176.090 176.293 -0.203 19625
4172 1 7 . 1 1 17 17 ASP CA C 17 54.600 54.600 55.183 -0.583 19625
4173 1 7 . 1 1 17 17 ASP CB C 17 40.100 40.100 41.294 -1.194 19625
4174 1 7 . 1 1 17 17 ASP H H 17 8.160 8.160 7.708 0.452 19625
4175 1 7 . 1 1 18 18 ASP N N 18 119.390 119.390 120.067 -0.677 19625
4176 1 7 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.631 -0.331 19625
4177 1 7 . 1 1 18 18 ASP C C 18 175.750 175.750 176.425 -0.675 19625
4178 1 7 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.747 1.553 19625
4179 1 7 . 1 1 18 18 ASP CB C 18 42.740 42.740 41.889 0.851 19625
4180 1 7 . 1 1 18 18 ASP H H 18 7.240 7.240 7.439 -0.199 19625
4181 1 7 . 1 1 19 19 ASP N N 19 117.850 117.850 118.732 -0.882 19625
4182 1 7 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.360 -0.130 19625
4183 1 7 . 1 1 19 19 ASP C C 19 175.300 175.300 176.992 -1.692 19625
4184 1 7 . 1 1 19 19 ASP CA C 19 56.030 56.030 55.517 0.513 19625
4185 1 7 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.603 0.457 19625
4186 1 7 . 1 1 19 19 ASP H H 19 8.000 8.000 8.654 -0.654 19625
4187 1 7 . 1 1 20 20 LEU N N 20 120.230 120.230 117.568 2.662 19625
4188 1 7 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.400 -0.020 19625
4189 1 7 . 1 1 20 20 LEU C C 20 176.830 176.830 176.290 0.540 19625
4190 1 7 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.343 -0.243 19625
4191 1 7 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.150 1.330 19625
4192 1 7 . 1 1 20 20 LEU H H 20 7.960 7.960 7.468 0.492 19625
4193 1 7 . 1 1 21 21 THR N N 21 113.040 113.040 110.668 2.372 19625
4194 1 7 . 1 1 21 21 THR HA H 21 4.290 4.290 4.604 -0.314 19625
4195 1 7 . 1 1 21 21 THR C C 21 174.900 174.900 173.538 1.362 19625
4196 1 7 . 1 1 21 21 THR CA C 21 61.970 61.970 61.349 0.621 19625
4197 1 7 . 1 1 21 21 THR CB C 21 71.200 71.200 71.034 0.166 19625
4198 1 7 . 1 1 21 21 THR H H 21 8.070 8.070 8.104 -0.034 19625
4199 1 7 . 1 1 22 22 GLY N N 22 110.100 110.100 115.040 -4.940 19625
4200 1 7 . 1 1 22 22 GLY C C 22 175.110 175.110 174.312 0.798 19625
4201 1 7 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.607 0.363 19625
4202 1 7 . 1 1 22 22 GLY H H 22 8.230 8.230 7.970 0.260 19625
4203 1 7 . 1 1 23 23 GLU N N 23 121.940 121.940 122.401 -0.461 19625
4204 1 7 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.175 -0.175 19625
4205 1 7 . 1 1 23 23 GLU C C 23 178.200 178.200 176.515 1.685 19625
4206 1 7 . 1 1 23 23 GLU CA C 23 58.900 58.900 58.409 0.491 19625
4207 1 7 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.608 0.992 19625
4208 1 7 . 1 1 23 23 GLU H H 23 8.550 8.550 8.672 -0.122 19625
4209 1 7 . 1 1 24 24 SER N N 24 114.930 114.930 110.231 4.699 19625
4210 1 7 . 1 1 24 24 SER HA H 24 3.990 3.990 4.340 -0.350 19625
4211 1 7 . 1 1 24 24 SER C C 24 174.000 174.000 174.130 -0.130 19625
4212 1 7 . 1 1 24 24 SER CA C 24 61.610 61.610 58.455 3.155 19625
4213 1 7 . 1 1 24 24 SER CB C 24 63.600 63.600 63.286 0.314 19625
4214 1 7 . 1 1 24 24 SER H H 24 8.290 8.290 7.881 0.409 19625
4215 1 7 . 1 1 25 25 ASN N N 25 117.820 117.820 119.098 -1.278 19625
4216 1 7 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.866 -0.136 19625
4217 1 7 . 1 1 25 25 ASN C C 25 174.380 174.380 173.592 0.788 19625
4218 1 7 . 1 1 25 25 ASN CA C 25 53.100 53.100 53.101 -0.001 19625
4219 1 7 . 1 1 25 25 ASN CB C 25 40.800 40.800 39.723 1.077 19625
4220 1 7 . 1 1 25 25 ASN H H 25 7.620 7.620 7.984 -0.364 19625
4221 1 7 . 1 1 26 26 SER N N 26 115.050 115.050 114.352 0.698 19625
4222 1 7 . 1 1 26 26 SER HA H 26 4.140 4.140 4.673 -0.533 19625
4223 1 7 . 1 1 26 26 SER C C 26 174.660 174.660 173.680 0.980 19625
4224 1 7 . 1 1 26 26 SER CA C 26 58.500 58.500 57.668 0.832 19625
4225 1 7 . 1 1 26 26 SER CB C 26 65.000 65.000 66.253 -1.253 19625
4226 1 7 . 1 1 26 26 SER H H 26 7.510 7.510 7.635 -0.125 19625
4227 1 7 . 1 1 27 27 ILE N N 27 124.200 124.200 125.332 -1.132 19625
4228 1 7 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.732 -0.272 19625
4229 1 7 . 1 1 27 27 ILE C C 27 177.540 177.540 177.987 -0.447 19625
4230 1 7 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.613 -1.173 19625
4231 1 7 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.232 -0.832 19625
4232 1 7 . 1 1 27 27 ILE H H 27 8.960 8.960 8.790 0.170 19625
4233 1 7 . 1 1 28 28 THR N N 28 114.810 114.810 114.632 0.178 19625
4234 1 7 . 1 1 28 28 THR HA H 28 3.510 3.510 3.914 -0.404 19625
4235 1 7 . 1 1 28 28 THR C C 28 176.210 176.210 176.509 -0.299 19625
4236 1 7 . 1 1 28 28 THR CA C 28 67.300 67.300 66.596 0.704 19625
4237 1 7 . 1 1 28 28 THR CB C 28 69.240 69.240 68.489 0.751 19625
4238 1 7 . 1 1 28 28 THR H H 28 8.030 8.030 8.375 -0.345 19625
4239 1 7 . 1 1 29 29 ASN N N 29 120.670 120.670 118.699 1.971 19625
4240 1 7 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.498 -0.098 19625
4241 1 7 . 1 1 29 29 ASN C C 29 175.110 175.110 177.646 -2.536 19625
4242 1 7 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.167 0.933 19625
4243 1 7 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.430 0.270 19625
4244 1 7 . 1 1 29 29 ASN H H 29 7.640 7.640 8.168 -0.528 19625
4245 1 7 . 1 1 30 30 GLN N N 30 122.180 122.180 119.249 2.931 19625
4246 1 7 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.007 -0.157 19625
4247 1 7 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.958 2.552 19625
4248 1 7 . 1 1 30 30 GLN CB C 30 32.060 32.060 28.216 3.844 19625
4249 1 7 . 1 1 30 30 GLN H H 30 8.620 8.620 8.150 0.470 19625
4250 1 7 . 1 1 31 31 LYS N N 31 116.860 116.860 119.538 -2.678 19625
4251 1 7 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.317 -0.487 19625
4252 1 7 . 1 1 31 31 LYS C C 31 178.370 178.370 179.281 -0.911 19625
4253 1 7 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.640 1.660 19625
4254 1 7 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.166 1.414 19625
4255 1 7 . 1 1 31 31 LYS H H 31 8.230 8.230 8.013 0.217 19625
4256 1 7 . 1 1 32 32 LYS N N 32 117.720 117.720 119.393 -1.673 19625
4257 1 7 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.055 -0.205 19625
4258 1 7 . 1 1 32 32 LYS C C 32 177.840 177.840 178.858 -1.018 19625
4259 1 7 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.734 0.466 19625
4260 1 7 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.379 1.121 19625
4261 1 7 . 1 1 32 32 LYS H H 32 7.470 7.470 7.715 -0.245 19625
4262 1 7 . 1 1 33 33 TYR N N 33 120.230 120.230 121.255 -1.025 19625
4263 1 7 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.153 -0.013 19625
4264 1 7 . 1 1 33 33 TYR C C 33 178.990 178.990 177.781 1.209 19625
4265 1 7 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.029 -0.129 19625
4266 1 7 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.357 1.893 19625
4267 1 7 . 1 1 33 33 TYR H H 33 8.210 8.210 7.728 0.482 19625
4268 1 7 . 1 1 34 34 LEU N N 34 117.680 117.680 118.109 -0.429 19625
4269 1 7 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.872 -0.092 19625
4270 1 7 . 1 1 34 34 LEU C C 34 178.370 178.370 179.324 -0.954 19625
4271 1 7 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.342 1.658 19625
4272 1 7 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.614 2.386 19625
4273 1 7 . 1 1 34 34 LEU H H 34 8.270 8.270 8.081 0.189 19625
4274 1 7 . 1 1 35 35 GLU N N 35 120.040 120.040 120.171 -0.131 19625
4275 1 7 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.981 -0.381 19625
4276 1 7 . 1 1 35 35 GLU C C 35 178.480 178.480 178.945 -0.465 19625
4277 1 7 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.304 1.196 19625
4278 1 7 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.470 0.930 19625
4279 1 7 . 1 1 35 35 GLU H H 35 8.490 8.490 8.346 0.144 19625
4280 1 7 . 1 1 36 36 ASP N N 36 119.540 119.540 118.750 0.790 19625
4281 1 7 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.364 -0.164 19625
4282 1 7 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.463 0.937 19625
4283 1 7 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.830 0.570 19625
4284 1 7 . 1 1 36 36 ASP H H 36 8.410 8.410 8.452 -0.042 19625
4285 1 7 . 1 1 37 37 TYR N N 37 120.120 120.120 120.943 -0.823 19625
4286 1 7 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.151 -0.571 19625
4287 1 7 . 1 1 37 37 TYR C C 37 178.270 178.270 176.792 1.478 19625
4288 1 7 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.077 1.923 19625
4289 1 7 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.504 1.156 19625
4290 1 7 . 1 1 37 37 TYR H H 37 7.560 7.560 7.390 0.170 19625
4291 1 7 . 1 1 38 38 ALA N N 38 122.290 122.290 121.260 1.030 19625
4292 1 7 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.251 -0.331 19625
4293 1 7 . 1 1 38 38 ALA C C 38 178.770 178.770 179.699 -0.929 19625
4294 1 7 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.529 0.571 19625
4295 1 7 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.339 0.561 19625
4296 1 7 . 1 1 38 38 ALA H H 38 8.740 8.740 8.963 -0.223 19625
4297 1 7 . 1 1 39 39 ARG N N 39 117.070 117.070 116.862 0.208 19625
4298 1 7 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.092 -0.152 19625
4299 1 7 . 1 1 39 39 ARG C C 39 180.550 180.550 178.343 2.207 19625
4300 1 7 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.264 1.937 19625
4301 1 7 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.062 0.538 19625
4302 1 7 . 1 1 39 39 ARG H H 39 8.390 8.390 8.406 -0.016 19625
4303 1 7 . 1 1 40 40 ARG N N 40 118.990 118.990 118.622 0.368 19625
4304 1 7 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.063 -0.213 19625
4305 1 7 . 1 1 40 40 ARG C C 40 177.010 177.010 177.832 -0.822 19625
4306 1 7 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.198 1.302 19625
4307 1 7 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.593 1.107 19625
4308 1 7 . 1 1 40 40 ARG H H 40 8.030 8.030 7.746 0.284 19625
4309 1 7 . 1 1 41 41 ASN N N 41 113.570 113.570 115.768 -2.198 19625
4310 1 7 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.482 -0.162 19625
4311 1 7 . 1 1 41 41 ASN C C 41 173.550 173.550 175.328 -1.778 19625
4312 1 7 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.911 0.489 19625
4313 1 7 . 1 1 41 41 ASN CB C 41 40.700 40.700 40.148 0.552 19625
4314 1 7 . 1 1 41 41 ASN H H 41 7.020 7.020 8.024 -1.004 19625
4315 1 7 . 1 1 42 42 GLY N N 42 106.670 106.670 108.011 -1.341 19625
4316 1 7 . 1 1 42 42 GLY C C 42 174.120 174.120 173.374 0.746 19625
4317 1 7 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.642 2.658 19625
4318 1 7 . 1 1 42 42 GLY H H 42 7.230 7.230 7.797 -0.567 19625
4319 1 7 . 1 1 43 43 PHE N N 43 119.360 119.360 119.685 -0.325 19625
4320 1 7 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.684 -0.344 19625
4321 1 7 . 1 1 43 43 PHE C C 43 174.900 174.900 175.352 -0.452 19625
4322 1 7 . 1 1 43 43 PHE CA C 43 59.000 59.000 57.201 1.799 19625
4323 1 7 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.535 -1.035 19625
4324 1 7 . 1 1 43 43 PHE H H 43 7.870 7.870 8.292 -0.422 19625
4325 1 7 . 1 1 44 44 GLU N N 44 119.760 119.760 121.795 -2.035 19625
4326 1 7 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.494 -0.124 19625
4327 1 7 . 1 1 44 44 GLU C C 44 175.870 175.870 175.963 -0.093 19625
4328 1 7 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.643 0.867 19625
4329 1 7 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.444 2.256 19625
4330 1 7 . 1 1 44 44 GLU H H 44 8.510 8.510 8.638 -0.128 19625
4331 1 7 . 1 1 45 45 ASN N N 45 118.280 118.280 115.258 3.022 19625
4332 1 7 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.350 -0.190 19625
4333 1 7 . 1 1 45 45 ASN C C 45 174.730 174.730 174.238 0.492 19625
4334 1 7 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.232 -0.032 19625
4335 1 7 . 1 1 45 45 ASN CB C 45 37.700 37.700 37.023 0.677 19625
4336 1 7 . 1 1 45 45 ASN H H 45 8.710 8.710 8.725 -0.015 19625
4337 1 7 . 1 1 46 46 ILE N N 46 117.440 117.440 118.768 -1.328 19625
4338 1 7 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.791 0.589 19625
4339 1 7 . 1 1 46 46 ILE C C 46 177.370 177.370 175.535 1.835 19625
4340 1 7 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.397 -0.097 19625
4341 1 7 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.192 3.708 19625
4342 1 7 . 1 1 46 46 ILE H H 46 7.840 7.840 8.131 -0.291 19625
4343 1 7 . 1 1 47 47 ARG N N 47 126.600 126.600 128.371 -1.771 19625
4344 1 7 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.344 -0.094 19625
4345 1 7 . 1 1 47 47 ARG C C 47 173.900 173.900 174.787 -0.887 19625
4346 1 7 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.500 1.400 19625
4347 1 7 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.367 3.733 19625
4348 1 7 . 1 1 47 47 ARG H H 47 8.440 8.440 7.949 0.491 19625
4349 1 7 . 1 1 48 48 HIS N N 48 122.600 122.600 124.081 -1.481 19625
4350 1 7 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.823 0.357 19625
4351 1 7 . 1 1 48 48 HIS C C 48 175.370 175.370 174.897 0.473 19625
4352 1 7 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.447 2.053 19625
4353 1 7 . 1 1 48 48 HIS CB C 48 32.500 32.500 29.997 2.503 19625
4354 1 7 . 1 1 48 48 HIS H H 48 8.530 8.530 8.698 -0.168 19625
4355 1 7 . 1 1 49 49 PHE N N 49 124.090 124.090 126.610 -2.520 19625
4356 1 7 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.797 -0.317 19625
4357 1 7 . 1 1 49 49 PHE C C 49 173.760 173.760 174.961 -1.201 19625
4358 1 7 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.528 1.872 19625
4359 1 7 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.702 3.799 19625
4360 1 7 . 1 1 49 49 PHE H H 49 9.340 9.340 9.587 -0.247 19625
4361 1 7 . 1 1 50 50 THR N N 50 117.900 117.900 118.290 -0.390 19625
4362 1 7 . 1 1 50 50 THR HA H 50 4.720 4.720 4.363 0.357 19625
4363 1 7 . 1 1 50 50 THR C C 50 172.640 172.640 173.791 -1.151 19625
4364 1 7 . 1 1 50 50 THR CA C 50 63.200 63.200 63.010 0.190 19625
4365 1 7 . 1 1 50 50 THR CB C 50 72.300 72.300 70.248 2.052 19625
4366 1 7 . 1 1 50 50 THR H H 50 8.530 8.530 8.470 0.060 19625
4367 1 7 . 1 1 51 51 ASP N N 51 127.240 127.240 122.203 5.037 19625
4368 1 7 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.259 1.011 19625
4369 1 7 . 1 1 51 51 ASP C C 51 173.530 173.530 174.084 -0.554 19625
4370 1 7 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.847 2.152 19625
4371 1 7 . 1 1 51 51 ASP CB C 51 44.300 44.300 42.398 1.902 19625
4372 1 7 . 1 1 51 51 ASP H H 51 8.560 8.560 8.371 0.189 19625
4373 1 7 . 1 1 52 52 ASP N N 52 125.700 125.700 123.712 1.988 19625
4374 1 7 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.469 0.041 19625
4375 1 7 . 1 1 52 52 ASP C C 52 175.090 175.090 175.886 -0.796 19625
4376 1 7 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.210 0.640 19625
4377 1 7 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.163 -0.063 19625
4378 1 7 . 1 1 52 52 ASP H H 52 9.210 9.210 7.279 1.931 19625
4379 1 7 . 1 1 53 53 GLY N N 53 113.640 113.640 112.030 1.610 19625
4380 1 7 . 1 1 53 53 GLY C C 53 173.950 173.950 174.604 -0.654 19625
4381 1 7 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.834 0.766 19625
4382 1 7 . 1 1 53 53 GLY H H 53 8.660 8.660 8.441 0.219 19625
4383 1 7 . 1 1 54 54 PHE N N 54 116.490 116.490 120.186 -3.696 19625
4384 1 7 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.644 -0.164 19625
4385 1 7 . 1 1 54 54 PHE C C 54 174.240 174.240 176.393 -2.153 19625
4386 1 7 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.223 1.977 19625
4387 1 7 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.385 3.515 19625
4388 1 7 . 1 1 54 54 PHE H H 54 6.780 6.780 8.091 -1.311 19625
4389 1 7 . 1 1 55 55 SER N N 55 118.160 118.160 118.906 -0.746 19625
4390 1 7 . 1 1 55 55 SER HA H 55 4.190 4.190 4.608 -0.418 19625
4391 1 7 . 1 1 55 55 SER C C 55 175.490 175.490 175.157 0.333 19625
4392 1 7 . 1 1 55 55 SER CA C 55 59.000 59.000 58.606 0.394 19625
4393 1 7 . 1 1 55 55 SER CB C 55 63.600 63.600 64.166 -0.566 19625
4394 1 7 . 1 1 55 55 SER H H 55 8.620 8.620 8.565 0.055 19625
4395 1 7 . 1 1 56 56 GLY N N 56 113.640 113.640 110.901 2.739 19625
4396 1 7 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.062 0.738 19625
4397 1 7 . 1 1 56 56 GLY H H 56 8.990 8.990 8.767 0.223 19625
4398 1 7 . 1 1 57 57 VAL N N 57 118.020 118.020 115.471 2.549 19625
4399 1 7 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.084 -0.464 19625
4400 1 7 . 1 1 57 57 VAL C C 57 173.800 173.800 175.173 -1.373 19625
4401 1 7 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.889 2.660 19625
4402 1 7 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.370 0.240 19625
4403 1 7 . 1 1 57 57 VAL H H 57 8.250 8.250 7.686 0.564 19625
4404 1 7 . 1 1 58 58 ASN N N 58 112.780 112.780 115.872 -3.092 19625
4405 1 7 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.295 0.185 19625
4406 1 7 . 1 1 58 58 ASN C C 58 174.310 174.310 174.300 0.010 19625
4407 1 7 . 1 1 58 58 ASN CA C 58 52.520 52.520 52.651 -0.131 19625
4408 1 7 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.157 3.744 19625
4409 1 7 . 1 1 58 58 ASN H H 58 6.830 6.830 7.412 -0.582 19625
4410 1 7 . 1 1 59 59 PHE N N 59 118.570 118.570 120.610 -2.040 19625
4411 1 7 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.201 0.739 19625
4412 1 7 . 1 1 59 59 PHE C C 59 175.310 175.310 175.248 0.062 19625
4413 1 7 . 1 1 59 59 PHE CA C 59 59.300 59.300 58.912 0.388 19625
4414 1 7 . 1 1 59 59 PHE CB C 59 38.600 38.600 37.710 0.890 19625
4415 1 7 . 1 1 59 59 PHE H H 59 8.950 8.950 7.972 0.978 19625
4416 1 7 . 1 1 60 60 ASN N N 60 124.690 124.690 115.288 9.402 19625
4417 1 7 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.112 0.618 19625
4418 1 7 . 1 1 60 60 ASN C C 60 172.860 172.860 173.132 -0.272 19625
4419 1 7 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.376 -0.376 19625
4420 1 7 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.770 -0.670 19625
4421 1 7 . 1 1 60 60 ASN H H 60 8.620 8.620 7.369 1.251 19625
4422 1 7 . 1 1 61 61 ARG N N 61 119.260 119.260 119.058 0.202 19625
4423 1 7 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.589 -0.189 19625
4424 1 7 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.580 -2.990 19625
4425 1 7 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.095 1.966 19625
4426 1 7 . 1 1 61 61 ARG H H 61 7.440 7.440 7.735 -0.295 19625
4427 1 7 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.406 -0.256 19625
4428 1 7 . 1 1 62 62 PRO C C 62 179.790 179.790 178.685 1.105 19625
4429 1 7 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.087 0.113 19625
4430 1 7 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.099 0.801 19625
4431 1 7 . 1 1 63 63 GLY N N 63 117.020 117.020 107.144 9.876 19625
4432 1 7 . 1 1 63 63 GLY C C 63 176.580 176.580 176.475 0.105 19625
4433 1 7 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.391 0.309 19625
4434 1 7 . 1 1 63 63 GLY H H 63 10.740 10.740 8.951 1.789 19625
4435 1 7 . 1 1 64 64 PHE N N 64 125.390 125.390 122.822 2.568 19625
4436 1 7 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.111 -0.551 19625
4437 1 7 . 1 1 64 64 PHE C C 64 176.330 176.330 176.673 -0.343 19625
4438 1 7 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.784 3.516 19625
4439 1 7 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.794 1.806 19625
4440 1 7 . 1 1 64 64 PHE H H 64 9.180 9.180 7.987 1.193 19625
4441 1 7 . 1 1 65 65 GLN N N 65 115.560 115.560 118.336 -2.776 19625
4442 1 7 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.003 -0.313 19625
4443 1 7 . 1 1 65 65 GLN C C 65 179.240 179.240 178.697 0.543 19625
4444 1 7 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.225 0.875 19625
4445 1 7 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.278 0.122 19625
4446 1 7 . 1 1 65 65 GLN H H 65 8.480 8.480 9.057 -0.577 19625
4447 1 7 . 1 1 66 66 SER N N 66 116.700 116.700 115.888 0.812 19625
4448 1 7 . 1 1 66 66 SER HA H 66 4.080 4.080 4.275 -0.195 19625
4449 1 7 . 1 1 66 66 SER C C 66 175.920 175.920 176.233 -0.313 19625
4450 1 7 . 1 1 66 66 SER CA C 66 62.930 62.930 61.786 1.144 19625
4451 1 7 . 1 1 66 66 SER CB C 66 63.880 63.880 63.331 0.548 19625
4452 1 7 . 1 1 66 66 SER H H 66 8.010 8.010 7.618 0.392 19625
4453 1 7 . 1 1 67 67 LEU N N 67 124.100 124.100 122.563 1.537 19625
4454 1 7 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.538 0.282 19625
4455 1 7 . 1 1 67 67 LEU C C 67 177.790 177.790 178.158 -0.368 19625
4456 1 7 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.142 1.258 19625
4457 1 7 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.621 0.479 19625
4458 1 7 . 1 1 67 67 LEU H H 67 7.830 7.830 7.530 0.300 19625
4459 1 7 . 1 1 68 68 ILE N N 68 118.610 118.610 119.113 -0.503 19625
4460 1 7 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.507 -0.267 19625
4461 1 7 . 1 1 68 68 ILE C C 68 177.730 177.730 177.379 0.351 19625
4462 1 7 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.496 -1.396 19625
4463 1 7 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.336 -2.236 19625
4464 1 7 . 1 1 68 68 ILE H H 68 8.030 8.030 8.347 -0.317 19625
4465 1 7 . 1 1 69 69 LYS N N 69 120.680 120.680 120.360 0.320 19625
4466 1 7 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.036 -0.136 19625
4467 1 7 . 1 1 69 69 LYS C C 69 180.050 180.050 179.009 1.041 19625
4468 1 7 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.897 0.903 19625
4469 1 7 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.999 0.601 19625
4470 1 7 . 1 1 69 69 LYS H H 69 7.500 7.500 7.974 -0.474 19625
4471 1 7 . 1 1 70 70 GLU N N 70 118.700 118.700 118.228 0.472 19625
4472 1 7 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.150 -0.090 19625
4473 1 7 . 1 1 70 70 GLU C C 70 178.860 178.860 178.971 -0.111 19625
4474 1 7 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.671 0.829 19625
4475 1 7 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.203 0.497 19625
4476 1 7 . 1 1 70 70 GLU H H 70 7.300 7.300 7.670 -0.370 19625
4477 1 7 . 1 1 71 71 VAL N N 71 121.570 121.570 119.293 2.277 19625
4478 1 7 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.502 -0.022 19625
4479 1 7 . 1 1 71 71 VAL C C 71 180.380 180.380 178.444 1.936 19625
4480 1 7 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.588 -0.488 19625
4481 1 7 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.113 1.087 19625
4482 1 7 . 1 1 71 71 VAL H H 71 8.380 8.380 7.486 0.894 19625
4483 1 7 . 1 1 72 72 GLU N N 72 120.090 120.090 120.639 -0.549 19625
4484 1 7 . 1 1 72 72 GLU HA H 72 3.560 3.560 3.987 -0.427 19625
4485 1 7 . 1 1 72 72 GLU C C 72 177.470 177.470 178.383 -0.913 19625
4486 1 7 . 1 1 72 72 GLU CA C 72 60.800 60.800 59.155 1.645 19625
4487 1 7 . 1 1 72 72 GLU CB C 72 30.440 30.440 28.899 1.541 19625
4488 1 7 . 1 1 72 72 GLU H H 72 9.010 9.010 8.680 0.330 19625
4489 1 7 . 1 1 73 73 ALA N N 73 118.560 118.560 120.973 -2.413 19625
4490 1 7 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.236 -0.116 19625
4491 1 7 . 1 1 73 73 ALA C C 73 177.350 177.350 178.305 -0.955 19625
4492 1 7 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.412 0.988 19625
4493 1 7 . 1 1 73 73 ALA CB C 73 20.000 20.000 19.317 0.683 19625
4494 1 7 . 1 1 73 73 ALA H H 73 7.320 7.320 7.686 -0.366 19625
4495 1 7 . 1 1 74 74 GLY N N 74 105.060 105.060 105.650 -0.590 19625
4496 1 7 . 1 1 74 74 GLY C C 74 176.280 176.280 174.064 2.216 19625
4497 1 7 . 1 1 74 74 GLY CA C 74 46.500 46.500 44.950 1.550 19625
4498 1 7 . 1 1 74 74 GLY H H 74 7.690 7.690 7.681 0.009 19625
4499 1 7 . 1 1 75 75 ASN N N 75 115.690 115.690 117.268 -1.578 19625
4500 1 7 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.822 -0.122 19625
4501 1 7 . 1 1 75 75 ASN C C 75 174.100 174.100 176.025 -1.925 19625
4502 1 7 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.437 0.964 19625
4503 1 7 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.164 0.435 19625
4504 1 7 . 1 1 75 75 ASN H H 75 7.710 7.710 8.512 -0.802 19625
4505 1 7 . 1 1 76 76 VAL N N 76 120.710 120.710 123.854 -3.144 19625
4506 1 7 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.989 -0.039 19625
4507 1 7 . 1 1 76 76 VAL C C 76 173.190 173.190 175.571 -2.381 19625
4508 1 7 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.331 -0.631 19625
4509 1 7 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.832 3.368 19625
4510 1 7 . 1 1 76 76 VAL H H 76 8.150 8.150 7.152 0.998 19625
4511 1 7 . 1 1 77 77 GLU N N 77 127.930 127.930 126.016 1.914 19625
4512 1 7 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.379 -0.059 19625
4513 1 7 . 1 1 77 77 GLU C C 77 175.850 175.850 176.116 -0.266 19625
4514 1 7 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.757 1.843 19625
4515 1 7 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.612 1.488 19625
4516 1 7 . 1 1 77 77 GLU H H 77 9.040 9.040 9.121 -0.081 19625
4517 1 7 . 1 1 78 78 THR N N 78 115.080 115.080 113.279 1.801 19625
4518 1 7 . 1 1 78 78 THR HA H 78 5.010 5.010 4.664 0.346 19625
4519 1 7 . 1 1 78 78 THR C C 78 170.340 170.340 172.020 -1.680 19625
4520 1 7 . 1 1 78 78 THR CA C 78 61.500 61.500 61.534 -0.034 19625
4521 1 7 . 1 1 78 78 THR CB C 78 72.100 72.100 72.024 0.076 19625
4522 1 7 . 1 1 78 78 THR H H 78 7.150 7.150 7.353 -0.203 19625
4523 1 7 . 1 1 79 79 LEU N N 79 130.190 130.190 124.800 5.390 19625
4524 1 7 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.879 0.231 19625
4525 1 7 . 1 1 79 79 LEU C C 79 172.640 172.640 174.070 -1.430 19625
4526 1 7 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.160 1.040 19625
4527 1 7 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.657 1.643 19625
4528 1 7 . 1 1 79 79 LEU H H 79 8.810 8.810 8.470 0.340 19625
4529 1 7 . 1 1 80 80 ILE N N 80 125.290 125.290 127.285 -1.995 19625
4530 1 7 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.070 0.820 19625
4531 1 7 . 1 1 80 80 ILE C C 80 174.260 174.260 174.040 0.220 19625
4532 1 7 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.016 0.484 19625
4533 1 7 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.112 1.488 19625
4534 1 7 . 1 1 80 80 ILE H H 80 8.760 8.760 9.213 -0.453 19625
4535 1 7 . 1 1 81 81 VAL N N 81 114.530 114.530 126.584 -12.054 19625
4536 1 7 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.829 0.081 19625
4537 1 7 . 1 1 81 81 VAL C C 81 175.310 175.310 176.399 -1.089 19625
4538 1 7 . 1 1 81 81 VAL CA C 81 59.100 59.100 60.112 -1.012 19625
4539 1 7 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.483 2.117 19625
4540 1 7 . 1 1 81 81 VAL H H 81 8.030 8.030 8.906 -0.876 19625
4541 1 7 . 1 1 82 82 LYS N N 82 122.730 122.730 123.695 -0.965 19625
4542 1 7 . 1 1 82 82 LYS HA H 82 3.650 3.650 3.983 -0.333 19625
4543 1 7 . 1 1 82 82 LYS C C 82 174.470 174.470 175.207 -0.737 19625
4544 1 7 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.451 2.049 19625
4545 1 7 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.778 1.522 19625
4546 1 7 . 1 1 82 82 LYS H H 82 9.540 9.540 8.934 0.606 19625
4547 1 7 . 1 1 83 83 ASP N N 83 108.020 108.020 111.125 -3.105 19625
4548 1 7 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.721 -0.161 19625
4549 1 7 . 1 1 83 83 ASP C C 83 175.310 175.310 176.979 -1.669 19625
4550 1 7 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.209 0.591 19625
4551 1 7 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.573 1.827 19625
4552 1 7 . 1 1 83 83 ASP H H 83 7.080 7.080 7.737 -0.657 19625
4553 1 7 . 1 1 84 84 MET N N 84 120.990 120.990 119.528 1.462 19625
4554 1 7 . 1 1 84 84 MET HA H 84 4.190 4.190 4.376 -0.186 19625
4555 1 7 . 1 1 84 84 MET C C 84 177.910 177.910 177.822 0.088 19625
4556 1 7 . 1 1 84 84 MET CA C 84 59.000 59.000 57.902 1.098 19625
4557 1 7 . 1 1 84 84 MET CB C 84 32.460 32.460 31.863 0.597 19625
4558 1 7 . 1 1 84 84 MET H H 84 9.290 9.290 8.722 0.568 19625
4559 1 7 . 1 1 85 85 SER N N 85 113.930 113.930 115.125 -1.195 19625
4560 1 7 . 1 1 85 85 SER HA H 85 4.310 4.310 4.223 0.087 19625
4561 1 7 . 1 1 85 85 SER C C 85 177.010 177.010 176.958 0.052 19625
4562 1 7 . 1 1 85 85 SER CA C 85 61.700 61.700 60.667 1.033 19625
4563 1 7 . 1 1 85 85 SER CB C 85 63.900 63.900 62.801 1.099 19625
4564 1 7 . 1 1 85 85 SER H H 85 8.520 8.520 8.042 0.478 19625
4565 1 7 . 1 1 86 86 ARG N N 86 120.920 120.920 122.690 -1.770 19625
4566 1 7 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.092 -0.372 19625
4567 1 7 . 1 1 86 86 ARG C C 86 179.510 179.510 178.324 1.186 19625
4568 1 7 . 1 1 86 86 ARG CA C 86 59.360 59.360 59.060 0.300 19625
4569 1 7 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.207 3.373 19625
4570 1 7 . 1 1 86 86 ARG H H 86 7.990 7.990 7.817 0.173 19625
4571 1 7 . 1 1 87 87 LEU N N 87 117.290 117.290 115.554 1.736 19625
4572 1 7 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.977 -0.067 19625
4573 1 7 . 1 1 87 87 LEU C C 87 177.080 177.080 176.543 0.537 19625
4574 1 7 . 1 1 87 87 LEU CA C 87 59.100 59.100 55.983 3.117 19625
4575 1 7 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.686 1.014 19625
4576 1 7 . 1 1 87 87 LEU H H 87 7.400 7.400 8.249 -0.849 19625
4577 1 7 . 1 1 88 88 GLY N N 88 102.420 102.420 104.711 -2.291 19625
4578 1 7 . 1 1 88 88 GLY C C 88 169.840 169.840 173.541 -3.701 19625
4579 1 7 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.413 1.787 19625
4580 1 7 . 1 1 88 88 GLY H H 88 7.430 7.430 7.410 0.020 19625
4581 1 7 . 1 1 89 89 ARG N N 89 115.910 115.910 119.041 -3.131 19625
4582 1 7 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.221 -0.181 19625
4583 1 7 . 1 1 89 89 ARG C C 89 177.540 177.540 176.473 1.067 19625
4584 1 7 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.017 -0.018 19625
4585 1 7 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.362 2.248 19625
4586 1 7 . 1 1 89 89 ARG H H 89 7.160 7.160 8.567 -1.407 19625
4587 1 7 . 1 1 90 90 ASN N N 90 117.420 117.420 120.475 -3.055 19625
4588 1 7 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.687 -0.067 19625
4589 1 7 . 1 1 90 90 ASN C C 90 175.420 175.420 175.292 0.128 19625
4590 1 7 . 1 1 90 90 ASN CA C 90 53.350 53.350 52.919 0.431 19625
4591 1 7 . 1 1 90 90 ASN CB C 90 39.460 39.460 36.790 2.670 19625
4592 1 7 . 1 1 90 90 ASN H H 90 7.930 7.930 8.458 -0.528 19625
4593 1 7 . 1 1 91 91 TYR N N 91 126.420 126.420 124.597 1.823 19625
4594 1 7 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.185 -0.195 19625
4595 1 7 . 1 1 91 91 TYR C C 91 177.470 177.470 176.824 0.646 19625
4596 1 7 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.493 0.477 19625
4597 1 7 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.523 -0.233 19625
4598 1 7 . 1 1 91 91 TYR H H 91 8.590 8.590 8.389 0.201 19625
4599 1 7 . 1 1 92 92 LEU N N 92 121.090 121.090 119.815 1.275 19625
4600 1 7 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.945 -0.105 19625
4601 1 7 . 1 1 92 92 LEU C C 92 179.580 179.580 178.725 0.855 19625
4602 1 7 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.576 -0.076 19625
4603 1 7 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.223 0.977 19625
4604 1 7 . 1 1 92 92 LEU H H 92 7.860 7.860 8.158 -0.298 19625
4605 1 7 . 1 1 93 93 GLN N N 93 117.490 117.490 118.219 -0.729 19625
4606 1 7 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.895 0.045 19625
4607 1 7 . 1 1 93 93 GLN C C 93 178.630 178.630 178.763 -0.133 19625
4608 1 7 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.248 0.552 19625
4609 1 7 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.167 1.933 19625
4610 1 7 . 1 1 93 93 GLN H H 93 7.350 7.350 7.695 -0.345 19625
4611 1 7 . 1 1 94 94 VAL N N 94 118.580 118.580 119.228 -0.648 19625
4612 1 7 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.029 -0.509 19625
4613 1 7 . 1 1 94 94 VAL C C 94 177.420 177.420 178.074 -0.654 19625
4614 1 7 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.127 1.373 19625
4615 1 7 . 1 1 94 94 VAL CB C 94 32.800 32.800 30.799 2.001 19625
4616 1 7 . 1 1 94 94 VAL H H 94 8.230 8.230 8.488 -0.258 19625
4617 1 7 . 1 1 95 95 GLY N N 95 106.450 106.450 107.519 -1.069 19625
4618 1 7 . 1 1 95 95 GLY C C 95 174.810 174.810 175.530 -0.720 19625
4619 1 7 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.675 0.125 19625
4620 1 7 . 1 1 95 95 GLY H H 95 7.760 7.760 7.807 -0.047 19625
4621 1 7 . 1 1 96 96 PHE N N 96 120.590 120.590 123.211 -2.621 19625
4622 1 7 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.858 -0.068 19625
4623 1 7 . 1 1 96 96 PHE C C 96 176.780 176.780 176.558 0.222 19625
4624 1 7 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.883 1.218 19625
4625 1 7 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.675 0.625 19625
4626 1 7 . 1 1 96 96 PHE H H 96 7.000 7.000 7.736 -0.736 19625
4627 1 7 . 1 1 97 97 TYR N N 97 116.700 116.700 116.750 -0.050 19625
4628 1 7 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.868 -0.938 19625
4629 1 7 . 1 1 97 97 TYR C C 97 175.500 175.500 177.578 -2.078 19625
4630 1 7 . 1 1 97 97 TYR CA C 97 62.700 62.700 61.797 0.903 19625
4631 1 7 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.235 0.565 19625
4632 1 7 . 1 1 97 97 TYR H H 97 7.030 7.030 7.901 -0.871 19625
4633 1 7 . 1 1 98 98 THR N N 98 104.710 104.710 109.269 -4.559 19625
4634 1 7 . 1 1 98 98 THR HA H 98 3.390 3.390 3.440 -0.050 19625
4635 1 7 . 1 1 98 98 THR C C 98 176.830 176.830 175.871 0.959 19625
4636 1 7 . 1 1 98 98 THR CA C 98 65.200 65.200 64.741 0.459 19625
4637 1 7 . 1 1 98 98 THR CB C 98 68.800 68.800 68.635 0.165 19625
4638 1 7 . 1 1 98 98 THR H H 98 7.540 7.540 7.204 0.336 19625
4639 1 7 . 1 1 99 99 GLU N N 99 116.670 116.670 119.371 -2.701 19625
4640 1 7 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.249 -0.039 19625
4641 1 7 . 1 1 99 99 GLU C C 99 176.820 176.820 177.337 -0.517 19625
4642 1 7 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.993 -0.793 19625
4643 1 7 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.056 0.644 19625
4644 1 7 . 1 1 99 99 GLU H H 99 8.390 8.390 8.257 0.133 19625
4645 1 7 . 1 1 100 100 VAL N N 100 117.330 117.330 117.843 -0.513 19625
4646 1 7 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.951 -0.131 19625
4647 1 7 . 1 1 100 100 VAL C C 100 176.200 176.200 176.662 -0.462 19625
4648 1 7 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.531 1.470 19625
4649 1 7 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.686 0.014 19625
4650 1 7 . 1 1 100 100 VAL H H 100 6.590 6.590 7.402 -0.812 19625
4651 1 7 . 1 1 101 101 LEU N N 101 120.390 120.390 121.256 -0.866 19625
4652 1 7 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.952 -0.332 19625
4653 1 7 . 1 1 101 101 LEU C C 101 177.510 177.510 179.448 -1.938 19625
4654 1 7 . 1 1 101 101 LEU CA C 101 59.700 59.700 58.015 1.685 19625
4655 1 7 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.451 1.659 19625
4656 1 7 . 1 1 101 101 LEU H H 101 7.180 7.180 7.746 -0.566 19625
4657 1 7 . 1 1 102 102 PHE N N 102 114.030 114.030 117.703 -3.673 19625
4658 1 7 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.469 -0.119 19625
4659 1 7 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.534 -0.924 19625
4660 1 7 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.301 -1.531 19625
4661 1 7 . 1 1 102 102 PHE H H 102 8.660 8.660 9.153 -0.493 19625
4662 1 7 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.122 0.108 19625
4663 1 7 . 1 1 103 103 PRO C C 103 180.710 180.710 178.955 1.755 19625
4664 1 7 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.146 0.654 19625
4665 1 7 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.130 0.530 19625
4666 1 7 . 1 1 104 104 GLN N N 104 117.110 117.110 116.721 0.389 19625
4667 1 7 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.050 -0.170 19625
4668 1 7 . 1 1 104 104 GLN C C 104 177.700 177.700 177.208 0.492 19625
4669 1 7 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.224 1.476 19625
4670 1 7 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.387 1.013 19625
4671 1 7 . 1 1 104 104 GLN H H 104 7.290 7.290 8.007 -0.717 19625
4672 1 7 . 1 1 105 105 LYS N N 105 115.380 115.380 114.277 1.103 19625
4673 1 7 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.537 -0.217 19625
4674 1 7 . 1 1 105 105 LYS C C 105 174.880 174.880 175.566 -0.686 19625
4675 1 7 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.486 -0.686 19625
4676 1 7 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.636 -0.936 19625
4677 1 7 . 1 1 105 105 LYS H H 105 7.650 7.650 7.839 -0.189 19625
4678 1 7 . 1 1 106 106 ASN N N 106 116.100 116.100 117.993 -1.893 19625
4679 1 7 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.329 -0.189 19625
4680 1 7 . 1 1 106 106 ASN C C 106 173.400 173.400 173.258 0.142 19625
4681 1 7 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.908 1.292 19625
4682 1 7 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.443 -0.643 19625
4683 1 7 . 1 1 106 106 ASN H H 106 7.730 7.730 8.053 -0.323 19625
4684 1 7 . 1 1 107 107 VAL N N 107 119.060 119.060 122.073 -3.013 19625
4685 1 7 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.437 -0.707 19625
4686 1 7 . 1 1 107 107 VAL C C 107 175.280 175.280 175.768 -0.488 19625
4687 1 7 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.295 1.805 19625
4688 1 7 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.011 0.189 19625
4689 1 7 . 1 1 107 107 VAL H H 107 7.970 7.970 8.363 -0.393 19625
4690 1 7 . 1 1 108 108 ARG N N 108 129.920 129.920 127.842 2.078 19625
4691 1 7 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.691 -0.521 19625
4692 1 7 . 1 1 108 108 ARG C C 108 173.020 173.020 174.781 -1.761 19625
4693 1 7 . 1 1 108 108 ARG CA C 108 56.690 56.690 53.870 2.820 19625
4694 1 7 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.287 0.813 19625
4695 1 7 . 1 1 108 108 ARG H H 108 8.230 8.230 8.173 0.057 19625
4696 1 7 . 1 1 109 109 PHE N N 109 129.390 129.390 125.250 4.140 19625
4697 1 7 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.893 0.217 19625
4698 1 7 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.463 -1.333 19625
4699 1 7 . 1 1 109 109 PHE CB C 109 42.890 42.890 40.744 2.146 19625
4700 1 7 . 1 1 109 109 PHE H H 109 8.550 8.550 8.829 -0.279 19625
4701 1 7 . 1 1 110 110 LEU N N 110 130.220 130.220 126.651 3.569 19625
4702 1 7 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.827 -0.737 19625
4703 1 7 . 1 1 110 110 LEU C C 110 172.360 172.360 173.893 -1.533 19625
4704 1 7 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.748 0.862 19625
4705 1 7 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.580 1.120 19625
4706 1 7 . 1 1 110 110 LEU H H 110 8.290 8.290 8.875 -0.585 19625
4707 1 7 . 1 1 111 111 ALA N N 111 123.890 123.890 130.109 -6.219 19625
4708 1 7 . 1 1 111 111 ALA HA H 111 4.580 4.580 5.038 -0.458 19625
4709 1 7 . 1 1 111 111 ALA C C 111 177.470 177.470 177.538 -0.068 19625
4710 1 7 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.905 -1.105 19625
4711 1 7 . 1 1 111 111 ALA CB C 111 20.000 20.000 20.133 -0.133 19625
4712 1 7 . 1 1 111 111 ALA H H 111 7.590 7.590 8.567 -0.977 19625
4713 1 7 . 1 1 112 112 ILE N N 112 121.690 121.690 125.290 -3.600 19625
4714 1 7 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.747 -0.607 19625
4715 1 7 . 1 1 112 112 ILE C C 112 177.350 177.350 177.715 -0.365 19625
4716 1 7 . 1 1 112 112 ILE CA C 112 66.300 66.300 65.137 1.163 19625
4717 1 7 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.553 0.487 19625
4718 1 7 . 1 1 112 112 ILE H H 112 7.700 7.700 8.255 -0.555 19625
4719 1 7 . 1 1 113 113 ASN N N 113 116.220 116.220 118.521 -2.301 19625
4720 1 7 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.666 0.074 19625
4721 1 7 . 1 1 113 113 ASN C C 113 175.110 175.110 174.104 1.006 19625
4722 1 7 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.772 -0.162 19625
4723 1 7 . 1 1 113 113 ASN CB C 113 39.660 39.660 37.867 1.793 19625
4724 1 7 . 1 1 113 113 ASN H H 113 8.350 8.350 8.430 -0.080 19625
4725 1 7 . 1 1 114 114 ASN N N 114 118.560 118.560 116.582 1.978 19625
4726 1 7 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.677 -0.077 19625
4727 1 7 . 1 1 114 114 ASN C C 114 174.870 174.870 173.324 1.546 19625
4728 1 7 . 1 1 114 114 ASN CA C 114 54.340 54.340 52.946 1.395 19625
4729 1 7 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.090 0.510 19625
4730 1 7 . 1 1 114 114 ASN H H 114 8.110 8.110 7.692 0.418 19625
4731 1 7 . 1 1 115 115 SER N N 115 114.600 114.600 116.762 -2.162 19625
4732 1 7 . 1 1 115 115 SER HA H 115 4.320 4.320 4.694 -0.374 19625
4733 1 7 . 1 1 115 115 SER C C 115 174.120 174.120 174.827 -0.707 19625
4734 1 7 . 1 1 115 115 SER CA C 115 59.260 59.260 58.386 0.873 19625
4735 1 7 . 1 1 115 115 SER CB C 115 64.200 64.200 63.565 0.635 19625
4736 1 7 . 1 1 115 115 SER H H 115 8.010 8.010 8.633 -0.624 19625
4737 1 7 . 1 1 116 116 ILE N N 116 121.020 121.020 126.275 -5.255 19625
4738 1 7 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.956 0.064 19625
4739 1 7 . 1 1 116 116 ILE C C 116 175.590 175.590 176.172 -0.582 19625
4740 1 7 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.071 -0.881 19625
4741 1 7 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.354 1.546 19625
4742 1 7 . 1 1 116 116 ILE H H 116 7.920 7.920 8.850 -0.929 19625
4743 1 7 . 1 1 117 117 ASP N N 117 124.190 124.190 118.114 6.076 19625
4744 1 7 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.770 -0.180 19625
4745 1 7 . 1 1 117 117 ASP C C 117 174.870 174.870 174.746 0.124 19625
4746 1 7 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.810 0.970 19625
4747 1 7 . 1 1 117 117 ASP CB C 117 42.490 42.490 40.819 1.671 19625
4748 1 7 . 1 1 117 117 ASP H H 117 8.160 8.160 8.112 0.048 19625
4749 1 7 . 1 1 118 118 SER N N 118 116.920 116.920 115.262 1.658 19625
4750 1 7 . 1 1 118 118 SER HA H 118 4.250 4.250 4.645 -0.395 19625
4751 1 7 . 1 1 118 118 SER C C 118 174.260 174.260 173.959 0.301 19625
4752 1 7 . 1 1 118 118 SER CA C 118 59.770 59.770 58.319 1.451 19625
4753 1 7 . 1 1 118 118 SER CB C 118 64.500 64.500 64.311 0.189 19625
4754 1 7 . 1 1 118 118 SER H H 118 8.220 8.220 8.139 0.081 19625
4755 1 7 . 1 1 119 119 ASN N N 119 120.830 120.830 121.011 -0.181 19625
4756 1 7 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.729 -0.148 19625
4757 1 7 . 1 1 119 119 ASN C C 119 174.120 174.120 174.495 -0.375 19625
4758 1 7 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.395 0.805 19625
4759 1 7 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.231 0.469 19625
4760 1 7 . 1 1 119 119 ASN H H 119 8.330 8.330 8.757 -0.427 19625
4761 1 8 . 1 1 2 2 SER HA H 2 4.320 4.320 4.148 0.172 19625
4762 1 8 . 1 1 2 2 SER C C 2 174.400 174.400 174.664 -0.264 19625
4763 1 8 . 1 1 2 2 SER CA C 2 59.200 59.200 58.150 1.050 19625
4764 1 8 . 1 1 2 2 SER CB C 2 64.800 64.800 63.626 1.175 19625
4765 1 8 . 1 1 3 3 ARG N N 3 123.220 123.220 120.782 2.438 19625
4766 1 8 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.133 0.097 19625
4767 1 8 . 1 1 3 3 ARG C C 3 176.320 176.320 174.575 1.745 19625
4768 1 8 . 1 1 3 3 ARG CA C 3 57.300 57.300 57.105 0.195 19625
4769 1 8 . 1 1 3 3 ARG CB C 3 31.600 31.600 28.984 2.616 19625
4770 1 8 . 1 1 3 3 ARG H H 3 8.590 8.590 8.665 -0.075 19625
4771 1 8 . 1 1 4 4 THR N N 4 114.540 114.540 110.534 4.006 19625
4772 1 8 . 1 1 4 4 THR HA H 4 4.270 4.270 4.541 -0.271 19625
4773 1 8 . 1 1 4 4 THR C C 4 173.880 173.880 173.875 0.005 19625
4774 1 8 . 1 1 4 4 THR CA C 4 62.200 62.200 61.485 0.715 19625
4775 1 8 . 1 1 4 4 THR CB C 4 70.700 70.700 70.165 0.535 19625
4776 1 8 . 1 1 4 4 THR H H 4 8.090 8.090 7.741 0.349 19625
4777 1 8 . 1 1 5 5 SER N N 5 117.410 117.410 120.489 -3.079 19625
4778 1 8 . 1 1 5 5 SER HA H 5 4.320 4.320 4.701 -0.381 19625
4779 1 8 . 1 1 5 5 SER C C 5 174.020 174.020 174.724 -0.704 19625
4780 1 8 . 1 1 5 5 SER CA C 5 58.900 58.900 58.026 0.875 19625
4781 1 8 . 1 1 5 5 SER CB C 5 64.700 64.700 64.069 0.631 19625
4782 1 8 . 1 1 5 5 SER H H 5 8.100 8.100 8.408 -0.308 19625
4783 1 8 . 1 1 6 6 ARG N N 6 122.330 122.330 124.921 -2.591 19625
4784 1 8 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.285 0.005 19625
4785 1 8 . 1 1 6 6 ARG C C 6 176.850 176.850 175.650 1.200 19625
4786 1 8 . 1 1 6 6 ARG CA C 6 57.400 57.400 56.055 1.345 19625
4787 1 8 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.773 2.627 19625
4788 1 8 . 1 1 6 6 ARG H H 6 8.100 8.100 8.230 -0.130 19625
4789 1 8 . 1 1 7 7 ILE N N 7 115.270 115.270 113.118 2.152 19625
4790 1 8 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.550 0.020 19625
4791 1 8 . 1 1 7 7 ILE C C 7 177.060 177.060 173.968 3.092 19625
4792 1 8 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.388 1.842 19625
4793 1 8 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.632 0.548 19625
4794 1 8 . 1 1 7 7 ILE H H 7 8.550 8.550 8.741 -0.191 19625
4795 1 8 . 1 1 8 8 THR N N 8 120.840 120.840 118.160 2.680 19625
4796 1 8 . 1 1 8 8 THR HA H 8 4.420 4.420 4.568 -0.148 19625
4797 1 8 . 1 1 8 8 THR C C 8 172.530 172.530 173.392 -0.862 19625
4798 1 8 . 1 1 8 8 THR CA C 8 63.100 63.100 61.634 1.466 19625
4799 1 8 . 1 1 8 8 THR CB C 8 69.000 69.000 70.211 -1.211 19625
4800 1 8 . 1 1 8 8 THR H H 8 8.030 8.030 7.850 0.180 19625
4801 1 8 . 1 1 9 9 ALA N N 9 129.200 129.200 128.252 0.948 19625
4802 1 8 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.046 -0.266 19625
4803 1 8 . 1 1 9 9 ALA C C 9 173.980 173.980 174.803 -0.823 19625
4804 1 8 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.404 0.896 19625
4805 1 8 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.559 1.841 19625
4806 1 8 . 1 1 9 9 ALA H H 9 9.210 9.210 9.047 0.163 19625
4807 1 8 . 1 1 10 10 LEU N N 10 124.830 124.830 127.568 -2.738 19625
4808 1 8 . 1 1 10 10 LEU HA H 10 4.830 4.830 4.981 -0.151 19625
4809 1 8 . 1 1 10 10 LEU C C 10 174.400 174.400 174.656 -0.256 19625
4810 1 8 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.985 -0.185 19625
4811 1 8 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.390 -2.890 19625
4812 1 8 . 1 1 10 10 LEU H H 10 8.720 8.720 9.163 -0.443 19625
4813 1 8 . 1 1 11 11 TYR N N 11 122.470 122.470 128.683 -6.213 19625
4814 1 8 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.587 0.243 19625
4815 1 8 . 1 1 11 11 TYR C C 11 174.120 174.120 173.465 0.655 19625
4816 1 8 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.733 1.367 19625
4817 1 8 . 1 1 11 11 TYR CB C 11 41.500 41.500 40.932 0.568 19625
4818 1 8 . 1 1 11 11 TYR H H 11 8.000 8.000 8.741 -0.741 19625
4819 1 8 . 1 1 12 12 GLU N N 12 121.360 121.360 126.962 -5.602 19625
4820 1 8 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.645 -0.445 19625
4821 1 8 . 1 1 12 12 GLU C C 12 172.720 172.720 174.405 -1.685 19625
4822 1 8 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.166 1.534 19625
4823 1 8 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.643 -3.243 19625
4824 1 8 . 1 1 12 12 GLU H H 12 7.870 7.870 8.150 -0.280 19625
4825 1 8 . 1 1 13 13 ARG N N 13 118.180 118.180 119.575 -1.395 19625
4826 1 8 . 1 1 13 13 ARG HA H 13 4.870 4.870 5.016 -0.146 19625
4827 1 8 . 1 1 13 13 ARG C C 13 174.680 174.680 173.921 0.759 19625
4828 1 8 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.495 0.305 19625
4829 1 8 . 1 1 13 13 ARG CB C 13 35.360 35.360 33.118 2.241 19625
4830 1 8 . 1 1 13 13 ARG H H 13 7.290 7.290 8.303 -1.013 19625
4831 1 8 . 1 1 14 14 LEU N N 14 131.070 131.070 126.731 4.339 19625
4832 1 8 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.822 -0.432 19625
4833 1 8 . 1 1 14 14 LEU C C 14 172.930 172.930 175.632 -2.702 19625
4834 1 8 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.179 3.220 19625
4835 1 8 . 1 1 14 14 LEU CB C 14 47.800 47.800 44.672 3.128 19625
4836 1 8 . 1 1 14 14 LEU H H 14 8.010 8.010 8.213 -0.203 19625
4837 1 8 . 1 1 15 15 SER N N 15 118.940 118.940 119.531 -0.591 19625
4838 1 8 . 1 1 15 15 SER HA H 15 4.520 4.520 4.285 0.235 19625
4839 1 8 . 1 1 15 15 SER C C 15 175.380 175.380 175.371 0.009 19625
4840 1 8 . 1 1 15 15 SER CA C 15 58.300 58.300 58.683 -0.383 19625
4841 1 8 . 1 1 15 15 SER CB C 15 65.300 65.300 63.953 1.347 19625
4842 1 8 . 1 1 15 15 SER H H 15 8.580 8.580 8.582 -0.002 19625
4843 1 8 . 1 1 16 16 ARG N N 16 123.190 123.190 123.698 -0.508 19625
4844 1 8 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.280 -0.320 19625
4845 1 8 . 1 1 16 16 ARG C C 16 177.410 177.410 176.494 0.916 19625
4846 1 8 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.536 1.964 19625
4847 1 8 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.272 0.128 19625
4848 1 8 . 1 1 16 16 ARG H H 16 8.980 8.980 8.830 0.150 19625
4849 1 8 . 1 1 17 17 ASP N N 17 115.110 115.110 117.845 -2.735 19625
4850 1 8 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.622 -0.322 19625
4851 1 8 . 1 1 17 17 ASP C C 17 176.090 176.090 175.669 0.421 19625
4852 1 8 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.355 0.245 19625
4853 1 8 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.606 -0.506 19625
4854 1 8 . 1 1 17 17 ASP H H 17 8.160 8.160 7.918 0.242 19625
4855 1 8 . 1 1 18 18 ASP N N 18 119.390 119.390 117.091 2.299 19625
4856 1 8 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.304 -0.004 19625
4857 1 8 . 1 1 18 18 ASP C C 18 175.750 175.750 175.461 0.289 19625
4858 1 8 . 1 1 18 18 ASP CA C 18 56.300 56.300 55.065 1.235 19625
4859 1 8 . 1 1 18 18 ASP CB C 18 42.740 42.740 39.903 2.837 19625
4860 1 8 . 1 1 18 18 ASP H H 18 7.240 7.240 7.848 -0.608 19625
4861 1 8 . 1 1 19 19 ASP N N 19 117.850 117.850 117.677 0.173 19625
4862 1 8 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.532 -0.302 19625
4863 1 8 . 1 1 19 19 ASP C C 19 175.300 175.300 175.829 -0.529 19625
4864 1 8 . 1 1 19 19 ASP CA C 19 56.030 56.030 55.221 0.808 19625
4865 1 8 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.537 0.523 19625
4866 1 8 . 1 1 19 19 ASP H H 19 8.000 8.000 8.695 -0.695 19625
4867 1 8 . 1 1 20 20 LEU N N 20 120.230 120.230 114.683 5.547 19625
4868 1 8 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.754 -0.374 19625
4869 1 8 . 1 1 20 20 LEU C C 20 176.830 176.830 176.789 0.041 19625
4870 1 8 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.063 0.037 19625
4871 1 8 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.552 0.928 19625
4872 1 8 . 1 1 20 20 LEU H H 20 7.960 7.960 7.571 0.389 19625
4873 1 8 . 1 1 21 21 THR N N 21 113.040 113.040 113.476 -0.436 19625
4874 1 8 . 1 1 21 21 THR HA H 21 4.290 4.290 4.161 0.129 19625
4875 1 8 . 1 1 21 21 THR C C 21 174.900 174.900 174.883 0.017 19625
4876 1 8 . 1 1 21 21 THR CA C 21 61.970 61.970 63.182 -1.212 19625
4877 1 8 . 1 1 21 21 THR CB C 21 71.200 71.200 68.631 2.569 19625
4878 1 8 . 1 1 21 21 THR H H 21 8.070 8.070 7.666 0.404 19625
4879 1 8 . 1 1 22 22 GLY N N 22 110.100 110.100 108.303 1.797 19625
4880 1 8 . 1 1 22 22 GLY C C 22 175.110 175.110 174.356 0.754 19625
4881 1 8 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.865 0.105 19625
4882 1 8 . 1 1 22 22 GLY H H 22 8.230 8.230 8.100 0.130 19625
4883 1 8 . 1 1 23 23 GLU N N 23 121.940 121.940 124.292 -2.352 19625
4884 1 8 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.283 -0.283 19625
4885 1 8 . 1 1 23 23 GLU C C 23 178.200 178.200 177.036 1.164 19625
4886 1 8 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.712 1.188 19625
4887 1 8 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.781 0.819 19625
4888 1 8 . 1 1 23 23 GLU H H 23 8.550 8.550 8.592 -0.042 19625
4889 1 8 . 1 1 24 24 SER N N 24 114.930 114.930 114.104 0.826 19625
4890 1 8 . 1 1 24 24 SER HA H 24 3.990 3.990 4.199 -0.209 19625
4891 1 8 . 1 1 24 24 SER C C 24 174.000 174.000 174.749 -0.749 19625
4892 1 8 . 1 1 24 24 SER CA C 24 61.610 61.610 60.089 1.521 19625
4893 1 8 . 1 1 24 24 SER CB C 24 63.600 63.600 63.274 0.326 19625
4894 1 8 . 1 1 24 24 SER H H 24 8.290 8.290 7.926 0.364 19625
4895 1 8 . 1 1 25 25 ASN N N 25 117.820 117.820 117.149 0.671 19625
4896 1 8 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.724 0.005 19625
4897 1 8 . 1 1 25 25 ASN C C 25 174.380 174.380 173.879 0.501 19625
4898 1 8 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.238 0.862 19625
4899 1 8 . 1 1 25 25 ASN CB C 25 40.800 40.800 38.240 2.559 19625
4900 1 8 . 1 1 25 25 ASN H H 25 7.620 7.620 7.954 -0.334 19625
4901 1 8 . 1 1 26 26 SER N N 26 115.050 115.050 115.309 -0.259 19625
4902 1 8 . 1 1 26 26 SER HA H 26 4.140 4.140 4.546 -0.406 19625
4903 1 8 . 1 1 26 26 SER C C 26 174.660 174.660 174.160 0.500 19625
4904 1 8 . 1 1 26 26 SER CA C 26 58.500 58.500 57.467 1.033 19625
4905 1 8 . 1 1 26 26 SER CB C 26 65.000 65.000 65.614 -0.614 19625
4906 1 8 . 1 1 26 26 SER H H 26 7.510 7.510 7.674 -0.164 19625
4907 1 8 . 1 1 27 27 ILE N N 27 124.200 124.200 124.774 -0.574 19625
4908 1 8 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.786 -0.326 19625
4909 1 8 . 1 1 27 27 ILE C C 27 177.540 177.540 178.228 -0.688 19625
4910 1 8 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.995 -1.555 19625
4911 1 8 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.344 -0.945 19625
4912 1 8 . 1 1 27 27 ILE H H 27 8.960 8.960 8.786 0.174 19625
4913 1 8 . 1 1 28 28 THR N N 28 114.810 114.810 114.570 0.240 19625
4914 1 8 . 1 1 28 28 THR HA H 28 3.510 3.510 4.028 -0.518 19625
4915 1 8 . 1 1 28 28 THR C C 28 176.210 176.210 176.165 0.045 19625
4916 1 8 . 1 1 28 28 THR CA C 28 67.300 67.300 66.791 0.509 19625
4917 1 8 . 1 1 28 28 THR CB C 28 69.240 69.240 68.469 0.771 19625
4918 1 8 . 1 1 28 28 THR H H 28 8.030 8.030 8.272 -0.242 19625
4919 1 8 . 1 1 29 29 ASN N N 29 120.670 120.670 118.551 2.119 19625
4920 1 8 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.499 -0.099 19625
4921 1 8 . 1 1 29 29 ASN C C 29 175.110 175.110 177.419 -2.309 19625
4922 1 8 . 1 1 29 29 ASN CA C 29 57.100 57.100 57.057 0.042 19625
4923 1 8 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.035 0.665 19625
4924 1 8 . 1 1 29 29 ASN H H 29 7.640 7.640 8.323 -0.683 19625
4925 1 8 . 1 1 30 30 GLN N N 30 122.180 122.180 119.553 2.627 19625
4926 1 8 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.029 -0.179 19625
4927 1 8 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.918 2.592 19625
4928 1 8 . 1 1 30 30 GLN CB C 30 32.060 32.060 28.173 3.887 19625
4929 1 8 . 1 1 30 30 GLN H H 30 8.620 8.620 7.933 0.687 19625
4930 1 8 . 1 1 31 31 LYS N N 31 116.860 116.860 120.084 -3.224 19625
4931 1 8 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.172 -0.342 19625
4932 1 8 . 1 1 31 31 LYS C C 31 178.370 178.370 179.534 -1.164 19625
4933 1 8 . 1 1 31 31 LYS CA C 31 61.300 61.300 60.087 1.213 19625
4934 1 8 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.111 1.469 19625
4935 1 8 . 1 1 31 31 LYS H H 31 8.230 8.230 7.799 0.431 19625
4936 1 8 . 1 1 32 32 LYS N N 32 117.720 117.720 119.033 -1.313 19625
4937 1 8 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.036 -0.186 19625
4938 1 8 . 1 1 32 32 LYS C C 32 177.840 177.840 178.791 -0.951 19625
4939 1 8 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.807 0.393 19625
4940 1 8 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.331 1.169 19625
4941 1 8 . 1 1 32 32 LYS H H 32 7.470 7.470 7.973 -0.503 19625
4942 1 8 . 1 1 33 33 TYR N N 33 120.230 120.230 121.608 -1.378 19625
4943 1 8 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.144 -0.004 19625
4944 1 8 . 1 1 33 33 TYR C C 33 178.990 178.990 177.738 1.252 19625
4945 1 8 . 1 1 33 33 TYR CA C 33 61.900 61.900 61.977 -0.077 19625
4946 1 8 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.435 1.815 19625
4947 1 8 . 1 1 33 33 TYR H H 33 8.210 8.210 7.851 0.359 19625
4948 1 8 . 1 1 34 34 LEU N N 34 117.680 117.680 117.719 -0.039 19625
4949 1 8 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.913 -0.133 19625
4950 1 8 . 1 1 34 34 LEU C C 34 178.370 178.370 179.450 -1.080 19625
4951 1 8 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.218 1.782 19625
4952 1 8 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.388 2.612 19625
4953 1 8 . 1 1 34 34 LEU H H 34 8.270 8.270 8.047 0.223 19625
4954 1 8 . 1 1 35 35 GLU N N 35 120.040 120.040 119.924 0.116 19625
4955 1 8 . 1 1 35 35 GLU HA H 35 3.600 3.600 4.004 -0.404 19625
4956 1 8 . 1 1 35 35 GLU C C 35 178.480 178.480 179.066 -0.586 19625
4957 1 8 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.145 1.355 19625
4958 1 8 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.312 1.088 19625
4959 1 8 . 1 1 35 35 GLU H H 35 8.490 8.490 8.040 0.450 19625
4960 1 8 . 1 1 36 36 ASP N N 36 119.540 119.540 118.806 0.734 19625
4961 1 8 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.374 -0.174 19625
4962 1 8 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.357 1.043 19625
4963 1 8 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.742 0.658 19625
4964 1 8 . 1 1 36 36 ASP H H 36 8.410 8.410 8.555 -0.145 19625
4965 1 8 . 1 1 37 37 TYR N N 37 120.120 120.120 120.894 -0.774 19625
4966 1 8 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.163 -0.583 19625
4967 1 8 . 1 1 37 37 TYR C C 37 178.270 178.270 176.848 1.422 19625
4968 1 8 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.017 1.983 19625
4969 1 8 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.468 1.192 19625
4970 1 8 . 1 1 37 37 TYR H H 37 7.560 7.560 7.398 0.162 19625
4971 1 8 . 1 1 38 38 ALA N N 38 122.290 122.290 121.098 1.192 19625
4972 1 8 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.292 -0.372 19625
4973 1 8 . 1 1 38 38 ALA C C 38 178.770 178.770 179.750 -0.980 19625
4974 1 8 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.463 0.637 19625
4975 1 8 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.460 0.440 19625
4976 1 8 . 1 1 38 38 ALA H H 38 8.740 8.740 8.914 -0.174 19625
4977 1 8 . 1 1 39 39 ARG N N 39 117.070 117.070 116.937 0.133 19625
4978 1 8 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.110 -0.170 19625
4979 1 8 . 1 1 39 39 ARG C C 39 180.550 180.550 178.262 2.288 19625
4980 1 8 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.354 1.846 19625
4981 1 8 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.104 0.496 19625
4982 1 8 . 1 1 39 39 ARG H H 39 8.390 8.390 8.581 -0.191 19625
4983 1 8 . 1 1 40 40 ARG N N 40 118.990 118.990 118.435 0.555 19625
4984 1 8 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.116 -0.266 19625
4985 1 8 . 1 1 40 40 ARG C C 40 177.010 177.010 177.612 -0.602 19625
4986 1 8 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.068 1.432 19625
4987 1 8 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.631 1.069 19625
4988 1 8 . 1 1 40 40 ARG H H 40 8.030 8.030 7.793 0.237 19625
4989 1 8 . 1 1 41 41 ASN N N 41 113.570 113.570 115.665 -2.095 19625
4990 1 8 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.540 -0.220 19625
4991 1 8 . 1 1 41 41 ASN C C 41 173.550 173.550 175.141 -1.591 19625
4992 1 8 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.587 0.813 19625
4993 1 8 . 1 1 41 41 ASN CB C 41 40.700 40.700 40.375 0.325 19625
4994 1 8 . 1 1 41 41 ASN H H 41 7.020 7.020 7.908 -0.888 19625
4995 1 8 . 1 1 42 42 GLY N N 42 106.670 106.670 108.058 -1.388 19625
4996 1 8 . 1 1 42 42 GLY C C 42 174.120 174.120 173.334 0.786 19625
4997 1 8 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.652 2.648 19625
4998 1 8 . 1 1 42 42 GLY H H 42 7.230 7.230 7.795 -0.565 19625
4999 1 8 . 1 1 43 43 PHE N N 43 119.360 119.360 119.684 -0.324 19625
5000 1 8 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.714 -0.374 19625
5001 1 8 . 1 1 43 43 PHE C C 43 174.900 174.900 175.206 -0.306 19625
5002 1 8 . 1 1 43 43 PHE CA C 43 59.000 59.000 57.203 1.797 19625
5003 1 8 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.756 -1.256 19625
5004 1 8 . 1 1 43 43 PHE H H 43 7.870 7.870 8.334 -0.464 19625
5005 1 8 . 1 1 44 44 GLU N N 44 119.760 119.760 122.235 -2.475 19625
5006 1 8 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.544 -0.174 19625
5007 1 8 . 1 1 44 44 GLU C C 44 175.870 175.870 176.383 -0.513 19625
5008 1 8 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.310 1.200 19625
5009 1 8 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.531 2.169 19625
5010 1 8 . 1 1 44 44 GLU H H 44 8.510 8.510 8.770 -0.260 19625
5011 1 8 . 1 1 45 45 ASN N N 45 118.280 118.280 115.418 2.862 19625
5012 1 8 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.352 -0.192 19625
5013 1 8 . 1 1 45 45 ASN C C 45 174.730 174.730 174.146 0.584 19625
5014 1 8 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.326 -0.126 19625
5015 1 8 . 1 1 45 45 ASN CB C 45 37.700 37.700 37.002 0.698 19625
5016 1 8 . 1 1 45 45 ASN H H 45 8.710 8.710 8.813 -0.103 19625
5017 1 8 . 1 1 46 46 ILE N N 46 117.440 117.440 118.945 -1.505 19625
5018 1 8 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.897 0.483 19625
5019 1 8 . 1 1 46 46 ILE C C 46 177.370 177.370 175.413 1.957 19625
5020 1 8 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.417 -0.117 19625
5021 1 8 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.197 3.703 19625
5022 1 8 . 1 1 46 46 ILE H H 46 7.840 7.840 8.129 -0.289 19625
5023 1 8 . 1 1 47 47 ARG N N 47 126.600 126.600 128.487 -1.887 19625
5024 1 8 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.334 -0.084 19625
5025 1 8 . 1 1 47 47 ARG C C 47 173.900 173.900 174.806 -0.906 19625
5026 1 8 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.527 1.373 19625
5027 1 8 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.245 3.855 19625
5028 1 8 . 1 1 47 47 ARG H H 47 8.440 8.440 8.149 0.291 19625
5029 1 8 . 1 1 48 48 HIS N N 48 122.600 122.600 124.571 -1.971 19625
5030 1 8 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.753 0.427 19625
5031 1 8 . 1 1 48 48 HIS C C 48 175.370 175.370 174.876 0.494 19625
5032 1 8 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.774 1.726 19625
5033 1 8 . 1 1 48 48 HIS CB C 48 32.500 32.500 29.711 2.789 19625
5034 1 8 . 1 1 48 48 HIS H H 48 8.530 8.530 8.770 -0.240 19625
5035 1 8 . 1 1 49 49 PHE N N 49 124.090 124.090 126.946 -2.856 19625
5036 1 8 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.794 -0.314 19625
5037 1 8 . 1 1 49 49 PHE C C 49 173.760 173.760 174.951 -1.191 19625
5038 1 8 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.894 1.506 19625
5039 1 8 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.374 4.126 19625
5040 1 8 . 1 1 49 49 PHE H H 49 9.340 9.340 9.649 -0.309 19625
5041 1 8 . 1 1 50 50 THR N N 50 117.900 117.900 118.472 -0.572 19625
5042 1 8 . 1 1 50 50 THR HA H 50 4.720 4.720 4.807 -0.087 19625
5043 1 8 . 1 1 50 50 THR C C 50 172.640 172.640 174.076 -1.436 19625
5044 1 8 . 1 1 50 50 THR CA C 50 63.200 63.200 62.478 0.722 19625
5045 1 8 . 1 1 50 50 THR CB C 50 72.300 72.300 70.183 2.117 19625
5046 1 8 . 1 1 50 50 THR H H 50 8.530 8.530 8.322 0.208 19625
5047 1 8 . 1 1 51 51 ASP N N 51 127.240 127.240 123.661 3.579 19625
5048 1 8 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.418 0.852 19625
5049 1 8 . 1 1 51 51 ASP C C 51 173.530 173.530 173.998 -0.468 19625
5050 1 8 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.558 2.442 19625
5051 1 8 . 1 1 51 51 ASP CB C 51 44.300 44.300 42.750 1.550 19625
5052 1 8 . 1 1 51 51 ASP H H 51 8.560 8.560 8.524 0.036 19625
5053 1 8 . 1 1 52 52 ASP N N 52 125.700 125.700 121.933 3.767 19625
5054 1 8 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.424 0.086 19625
5055 1 8 . 1 1 52 52 ASP C C 52 175.090 175.090 176.022 -0.932 19625
5056 1 8 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.200 0.650 19625
5057 1 8 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.350 -0.250 19625
5058 1 8 . 1 1 52 52 ASP H H 52 9.210 9.210 7.298 1.912 19625
5059 1 8 . 1 1 53 53 GLY N N 53 113.640 113.640 112.425 1.215 19625
5060 1 8 . 1 1 53 53 GLY C C 53 173.950 173.950 174.061 -0.111 19625
5061 1 8 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.559 1.041 19625
5062 1 8 . 1 1 53 53 GLY H H 53 8.660 8.660 8.414 0.246 19625
5063 1 8 . 1 1 54 54 PHE N N 54 116.490 116.490 120.299 -3.809 19625
5064 1 8 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.525 -0.045 19625
5065 1 8 . 1 1 54 54 PHE C C 54 174.240 174.240 176.267 -2.027 19625
5066 1 8 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.617 1.583 19625
5067 1 8 . 1 1 54 54 PHE CB C 54 42.900 42.900 38.146 4.754 19625
5068 1 8 . 1 1 54 54 PHE H H 54 6.780 6.780 8.044 -1.264 19625
5069 1 8 . 1 1 55 55 SER N N 55 118.160 118.160 119.820 -1.660 19625
5070 1 8 . 1 1 55 55 SER HA H 55 4.190 4.190 4.449 -0.259 19625
5071 1 8 . 1 1 55 55 SER C C 55 175.490 175.490 175.508 -0.018 19625
5072 1 8 . 1 1 55 55 SER CA C 55 59.000 59.000 58.476 0.524 19625
5073 1 8 . 1 1 55 55 SER CB C 55 63.600 63.600 64.204 -0.604 19625
5074 1 8 . 1 1 55 55 SER H H 55 8.620 8.620 8.729 -0.109 19625
5075 1 8 . 1 1 56 56 GLY N N 56 113.640 113.640 109.644 3.996 19625
5076 1 8 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.133 0.666 19625
5077 1 8 . 1 1 56 56 GLY H H 56 8.990 8.990 8.731 0.259 19625
5078 1 8 . 1 1 57 57 VAL N N 57 118.020 118.020 115.728 2.292 19625
5079 1 8 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.228 -0.608 19625
5080 1 8 . 1 1 57 57 VAL C C 57 173.800 173.800 175.406 -1.606 19625
5081 1 8 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.036 3.514 19625
5082 1 8 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.263 0.347 19625
5083 1 8 . 1 1 57 57 VAL H H 57 8.250 8.250 7.313 0.937 19625
5084 1 8 . 1 1 58 58 ASN N N 58 112.780 112.780 119.111 -6.331 19625
5085 1 8 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.024 0.456 19625
5086 1 8 . 1 1 58 58 ASN C C 58 174.310 174.310 174.571 -0.261 19625
5087 1 8 . 1 1 58 58 ASN CA C 58 52.520 52.520 53.970 -1.450 19625
5088 1 8 . 1 1 58 58 ASN CB C 58 41.900 41.900 37.409 4.491 19625
5089 1 8 . 1 1 58 58 ASN H H 58 6.830 6.830 7.902 -1.072 19625
5090 1 8 . 1 1 59 59 PHE N N 59 118.570 118.570 119.577 -1.007 19625
5091 1 8 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.294 0.646 19625
5092 1 8 . 1 1 59 59 PHE C C 59 175.310 175.310 175.288 0.022 19625
5093 1 8 . 1 1 59 59 PHE CA C 59 59.300 59.300 58.700 0.600 19625
5094 1 8 . 1 1 59 59 PHE CB C 59 38.600 38.600 38.382 0.218 19625
5095 1 8 . 1 1 59 59 PHE H H 59 8.950 8.950 7.674 1.276 19625
5096 1 8 . 1 1 60 60 ASN N N 60 124.690 124.690 116.072 8.618 19625
5097 1 8 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.663 0.067 19625
5098 1 8 . 1 1 60 60 ASN C C 60 172.860 172.860 173.645 -0.785 19625
5099 1 8 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.800 -0.800 19625
5100 1 8 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.868 -0.768 19625
5101 1 8 . 1 1 60 60 ASN H H 60 8.620 8.620 8.531 0.089 19625
5102 1 8 . 1 1 61 61 ARG N N 61 119.260 119.260 117.670 1.590 19625
5103 1 8 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.777 -0.377 19625
5104 1 8 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.823 -3.233 19625
5105 1 8 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.325 1.735 19625
5106 1 8 . 1 1 61 61 ARG H H 61 7.440 7.440 8.150 -0.710 19625
5107 1 8 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.405 -0.255 19625
5108 1 8 . 1 1 62 62 PRO C C 62 179.790 179.790 178.657 1.133 19625
5109 1 8 . 1 1 62 62 PRO CA C 62 66.200 66.200 65.902 0.298 19625
5110 1 8 . 1 1 62 62 PRO CB C 62 32.900 32.900 31.974 0.926 19625
5111 1 8 . 1 1 63 63 GLY N N 63 117.020 117.020 107.295 9.725 19625
5112 1 8 . 1 1 63 63 GLY C C 63 176.580 176.580 176.628 -0.048 19625
5113 1 8 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.489 0.211 19625
5114 1 8 . 1 1 63 63 GLY H H 63 10.740 10.740 8.933 1.807 19625
5115 1 8 . 1 1 64 64 PHE N N 64 125.390 125.390 122.403 2.987 19625
5116 1 8 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.347 -0.787 19625
5117 1 8 . 1 1 64 64 PHE C C 64 176.330 176.330 176.633 -0.303 19625
5118 1 8 . 1 1 64 64 PHE CA C 64 63.300 63.300 60.133 3.167 19625
5119 1 8 . 1 1 64 64 PHE CB C 64 40.600 40.600 39.087 1.513 19625
5120 1 8 . 1 1 64 64 PHE H H 64 9.180 9.180 8.123 1.057 19625
5121 1 8 . 1 1 65 65 GLN N N 65 115.560 115.560 118.877 -3.317 19625
5122 1 8 . 1 1 65 65 GLN HA H 65 3.690 3.690 3.844 -0.154 19625
5123 1 8 . 1 1 65 65 GLN C C 65 179.240 179.240 178.887 0.353 19625
5124 1 8 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.313 0.787 19625
5125 1 8 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.121 0.279 19625
5126 1 8 . 1 1 65 65 GLN H H 65 8.480 8.480 8.824 -0.344 19625
5127 1 8 . 1 1 66 66 SER N N 66 116.700 116.700 115.432 1.268 19625
5128 1 8 . 1 1 66 66 SER HA H 66 4.080 4.080 4.239 -0.159 19625
5129 1 8 . 1 1 66 66 SER C C 66 175.920 175.920 176.300 -0.380 19625
5130 1 8 . 1 1 66 66 SER CA C 66 62.930 62.930 61.717 1.213 19625
5131 1 8 . 1 1 66 66 SER CB C 66 63.880 63.880 63.379 0.501 19625
5132 1 8 . 1 1 66 66 SER H H 66 8.010 8.010 7.670 0.340 19625
5133 1 8 . 1 1 67 67 LEU N N 67 124.100 124.100 123.052 1.048 19625
5134 1 8 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.658 0.162 19625
5135 1 8 . 1 1 67 67 LEU C C 67 177.790 177.790 177.850 -0.060 19625
5136 1 8 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.141 1.259 19625
5137 1 8 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.729 0.371 19625
5138 1 8 . 1 1 67 67 LEU H H 67 7.830 7.830 7.306 0.524 19625
5139 1 8 . 1 1 68 68 ILE N N 68 118.610 118.610 118.979 -0.369 19625
5140 1 8 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.297 -0.057 19625
5141 1 8 . 1 1 68 68 ILE C C 68 177.730 177.730 176.859 0.871 19625
5142 1 8 . 1 1 68 68 ILE CA C 68 62.100 62.100 64.046 -1.946 19625
5143 1 8 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.264 -2.164 19625
5144 1 8 . 1 1 68 68 ILE H H 68 8.030 8.030 8.284 -0.254 19625
5145 1 8 . 1 1 69 69 LYS N N 69 120.680 120.680 120.303 0.377 19625
5146 1 8 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.029 -0.129 19625
5147 1 8 . 1 1 69 69 LYS C C 69 180.050 180.050 178.670 1.380 19625
5148 1 8 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.915 0.885 19625
5149 1 8 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.587 1.014 19625
5150 1 8 . 1 1 69 69 LYS H H 69 7.500 7.500 8.002 -0.502 19625
5151 1 8 . 1 1 70 70 GLU N N 70 118.700 118.700 119.104 -0.404 19625
5152 1 8 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.111 -0.051 19625
5153 1 8 . 1 1 70 70 GLU C C 70 178.860 178.860 178.680 0.180 19625
5154 1 8 . 1 1 70 70 GLU CA C 70 59.500 59.500 59.716 -0.216 19625
5155 1 8 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.529 0.171 19625
5156 1 8 . 1 1 70 70 GLU H H 70 7.300 7.300 7.511 -0.211 19625
5157 1 8 . 1 1 71 71 VAL N N 71 121.570 121.570 119.684 1.886 19625
5158 1 8 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.378 0.102 19625
5159 1 8 . 1 1 71 71 VAL C C 71 180.380 180.380 177.975 2.405 19625
5160 1 8 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.559 -0.459 19625
5161 1 8 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.238 0.962 19625
5162 1 8 . 1 1 71 71 VAL H H 71 8.380 8.380 7.406 0.974 19625
5163 1 8 . 1 1 72 72 GLU N N 72 120.090 120.090 118.986 1.104 19625
5164 1 8 . 1 1 72 72 GLU HA H 72 3.560 3.560 3.976 -0.416 19625
5165 1 8 . 1 1 72 72 GLU C C 72 177.470 177.470 178.825 -1.355 19625
5166 1 8 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.783 2.017 19625
5167 1 8 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.030 1.410 19625
5168 1 8 . 1 1 72 72 GLU H H 72 9.010 9.010 8.413 0.597 19625
5169 1 8 . 1 1 73 73 ALA N N 73 118.560 118.560 120.580 -2.020 19625
5170 1 8 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.153 -0.033 19625
5171 1 8 . 1 1 73 73 ALA C C 73 177.350 177.350 178.195 -0.845 19625
5172 1 8 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.841 0.559 19625
5173 1 8 . 1 1 73 73 ALA CB C 73 20.000 20.000 19.242 0.758 19625
5174 1 8 . 1 1 73 73 ALA H H 73 7.320 7.320 7.645 -0.325 19625
5175 1 8 . 1 1 74 74 GLY N N 74 105.060 105.060 105.537 -0.477 19625
5176 1 8 . 1 1 74 74 GLY C C 74 176.280 176.280 173.878 2.402 19625
5177 1 8 . 1 1 74 74 GLY CA C 74 46.500 46.500 44.886 1.613 19625
5178 1 8 . 1 1 74 74 GLY H H 74 7.690 7.690 7.748 -0.058 19625
5179 1 8 . 1 1 75 75 ASN N N 75 115.690 115.690 116.893 -1.203 19625
5180 1 8 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.827 -0.127 19625
5181 1 8 . 1 1 75 75 ASN C C 75 174.100 174.100 175.566 -1.466 19625
5182 1 8 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.535 0.866 19625
5183 1 8 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.407 0.193 19625
5184 1 8 . 1 1 75 75 ASN H H 75 7.710 7.710 8.686 -0.976 19625
5185 1 8 . 1 1 76 76 VAL N N 76 120.710 120.710 124.950 -4.240 19625
5186 1 8 . 1 1 76 76 VAL HA H 76 3.950 3.950 4.099 -0.149 19625
5187 1 8 . 1 1 76 76 VAL C C 76 173.190 173.190 175.533 -2.343 19625
5188 1 8 . 1 1 76 76 VAL CA C 76 62.700 62.700 62.149 0.551 19625
5189 1 8 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.389 3.811 19625
5190 1 8 . 1 1 76 76 VAL H H 76 8.150 8.150 7.179 0.971 19625
5191 1 8 . 1 1 77 77 GLU N N 77 127.930 127.930 125.884 2.046 19625
5192 1 8 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.478 -0.158 19625
5193 1 8 . 1 1 77 77 GLU C C 77 175.850 175.850 176.016 -0.166 19625
5194 1 8 . 1 1 77 77 GLU CA C 77 58.600 58.600 57.114 1.486 19625
5195 1 8 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.055 2.045 19625
5196 1 8 . 1 1 77 77 GLU H H 77 9.040 9.040 8.971 0.069 19625
5197 1 8 . 1 1 78 78 THR N N 78 115.080 115.080 112.008 3.072 19625
5198 1 8 . 1 1 78 78 THR HA H 78 5.010 5.010 4.705 0.305 19625
5199 1 8 . 1 1 78 78 THR C C 78 170.340 170.340 172.223 -1.883 19625
5200 1 8 . 1 1 78 78 THR CA C 78 61.500 61.500 60.923 0.577 19625
5201 1 8 . 1 1 78 78 THR CB C 78 72.100 72.100 71.877 0.223 19625
5202 1 8 . 1 1 78 78 THR H H 78 7.150 7.150 7.359 -0.209 19625
5203 1 8 . 1 1 79 79 LEU N N 79 130.190 130.190 124.318 5.872 19625
5204 1 8 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.858 0.252 19625
5205 1 8 . 1 1 79 79 LEU C C 79 172.640 172.640 174.116 -1.476 19625
5206 1 8 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.221 0.979 19625
5207 1 8 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.758 1.542 19625
5208 1 8 . 1 1 79 79 LEU H H 79 8.810 8.810 8.470 0.340 19625
5209 1 8 . 1 1 80 80 ILE N N 80 125.290 125.290 127.221 -1.931 19625
5210 1 8 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.061 0.829 19625
5211 1 8 . 1 1 80 80 ILE C C 80 174.260 174.260 173.927 0.333 19625
5212 1 8 . 1 1 80 80 ILE CA C 80 60.500 60.500 59.868 0.632 19625
5213 1 8 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.315 1.285 19625
5214 1 8 . 1 1 80 80 ILE H H 80 8.760 8.760 9.153 -0.393 19625
5215 1 8 . 1 1 81 81 VAL N N 81 114.530 114.530 126.527 -11.997 19625
5216 1 8 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.850 0.060 19625
5217 1 8 . 1 1 81 81 VAL C C 81 175.310 175.310 176.413 -1.103 19625
5218 1 8 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.487 -0.387 19625
5219 1 8 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.321 2.279 19625
5220 1 8 . 1 1 81 81 VAL H H 81 8.030 8.030 8.737 -0.707 19625
5221 1 8 . 1 1 82 82 LYS N N 82 122.730 122.730 124.092 -1.362 19625
5222 1 8 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.061 -0.411 19625
5223 1 8 . 1 1 82 82 LYS C C 82 174.470 174.470 175.354 -0.884 19625
5224 1 8 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.134 2.366 19625
5225 1 8 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.879 1.421 19625
5226 1 8 . 1 1 82 82 LYS H H 82 9.540 9.540 9.160 0.380 19625
5227 1 8 . 1 1 83 83 ASP N N 83 108.020 108.020 111.586 -3.566 19625
5228 1 8 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.694 -0.134 19625
5229 1 8 . 1 1 83 83 ASP C C 83 175.310 175.310 176.405 -1.095 19625
5230 1 8 . 1 1 83 83 ASP CA C 83 53.800 53.800 52.993 0.807 19625
5231 1 8 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.172 2.228 19625
5232 1 8 . 1 1 83 83 ASP H H 83 7.080 7.080 7.736 -0.656 19625
5233 1 8 . 1 1 84 84 MET N N 84 120.990 120.990 119.294 1.696 19625
5234 1 8 . 1 1 84 84 MET HA H 84 4.190 4.190 4.378 -0.188 19625
5235 1 8 . 1 1 84 84 MET C C 84 177.910 177.910 177.662 0.248 19625
5236 1 8 . 1 1 84 84 MET CA C 84 59.000 59.000 57.296 1.704 19625
5237 1 8 . 1 1 84 84 MET CB C 84 32.460 32.460 31.541 0.919 19625
5238 1 8 . 1 1 84 84 MET H H 84 9.290 9.290 8.771 0.519 19625
5239 1 8 . 1 1 85 85 SER N N 85 113.930 113.930 115.572 -1.642 19625
5240 1 8 . 1 1 85 85 SER HA H 85 4.310 4.310 4.230 0.080 19625
5241 1 8 . 1 1 85 85 SER C C 85 177.010 177.010 176.537 0.473 19625
5242 1 8 . 1 1 85 85 SER CA C 85 61.700 61.700 60.377 1.323 19625
5243 1 8 . 1 1 85 85 SER CB C 85 63.900 63.900 63.005 0.895 19625
5244 1 8 . 1 1 85 85 SER H H 85 8.520 8.520 8.016 0.504 19625
5245 1 8 . 1 1 86 86 ARG N N 86 120.920 120.920 121.809 -0.889 19625
5246 1 8 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.039 -0.319 19625
5247 1 8 . 1 1 86 86 ARG C C 86 179.510 179.510 178.100 1.410 19625
5248 1 8 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.440 0.920 19625
5249 1 8 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.267 3.313 19625
5250 1 8 . 1 1 86 86 ARG H H 86 7.990 7.990 7.790 0.200 19625
5251 1 8 . 1 1 87 87 LEU N N 87 117.290 117.290 116.174 1.116 19625
5252 1 8 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.814 0.096 19625
5253 1 8 . 1 1 87 87 LEU C C 87 177.080 177.080 176.773 0.307 19625
5254 1 8 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.279 2.821 19625
5255 1 8 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.916 0.784 19625
5256 1 8 . 1 1 87 87 LEU H H 87 7.400 7.400 8.277 -0.877 19625
5257 1 8 . 1 1 88 88 GLY N N 88 102.420 102.420 103.912 -1.492 19625
5258 1 8 . 1 1 88 88 GLY C C 88 169.840 169.840 173.725 -3.885 19625
5259 1 8 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.352 1.848 19625
5260 1 8 . 1 1 88 88 GLY H H 88 7.430 7.430 7.477 -0.047 19625
5261 1 8 . 1 1 89 89 ARG N N 89 115.910 115.910 119.714 -3.804 19625
5262 1 8 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.241 -0.201 19625
5263 1 8 . 1 1 89 89 ARG C C 89 177.540 177.540 176.409 1.131 19625
5264 1 8 . 1 1 89 89 ARG CA C 89 57.000 57.000 56.911 0.089 19625
5265 1 8 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.502 2.108 19625
5266 1 8 . 1 1 89 89 ARG H H 89 7.160 7.160 8.580 -1.420 19625
5267 1 8 . 1 1 90 90 ASN N N 90 117.420 117.420 119.705 -2.285 19625
5268 1 8 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.664 -0.044 19625
5269 1 8 . 1 1 90 90 ASN C C 90 175.420 175.420 175.502 -0.082 19625
5270 1 8 . 1 1 90 90 ASN CA C 90 53.350 53.350 52.664 0.686 19625
5271 1 8 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.291 2.168 19625
5272 1 8 . 1 1 90 90 ASN H H 90 7.930 7.930 7.912 0.018 19625
5273 1 8 . 1 1 91 91 TYR N N 91 126.420 126.420 125.370 1.050 19625
5274 1 8 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.212 -0.222 19625
5275 1 8 . 1 1 91 91 TYR C C 91 177.470 177.470 176.712 0.758 19625
5276 1 8 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.311 0.659 19625
5277 1 8 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.597 -0.307 19625
5278 1 8 . 1 1 91 91 TYR H H 91 8.590 8.590 8.296 0.294 19625
5279 1 8 . 1 1 92 92 LEU N N 92 121.090 121.090 120.226 0.864 19625
5280 1 8 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.893 -0.053 19625
5281 1 8 . 1 1 92 92 LEU C C 92 179.580 179.580 178.676 0.904 19625
5282 1 8 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.524 -0.024 19625
5283 1 8 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.107 1.093 19625
5284 1 8 . 1 1 92 92 LEU H H 92 7.860 7.860 8.115 -0.255 19625
5285 1 8 . 1 1 93 93 GLN N N 93 117.490 117.490 118.104 -0.614 19625
5286 1 8 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.830 0.110 19625
5287 1 8 . 1 1 93 93 GLN C C 93 178.630 178.630 178.760 -0.130 19625
5288 1 8 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.359 0.441 19625
5289 1 8 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.004 2.096 19625
5290 1 8 . 1 1 93 93 GLN H H 93 7.350 7.350 7.706 -0.356 19625
5291 1 8 . 1 1 94 94 VAL N N 94 118.580 118.580 119.272 -0.692 19625
5292 1 8 . 1 1 94 94 VAL HA H 94 3.520 3.520 3.875 -0.355 19625
5293 1 8 . 1 1 94 94 VAL C C 94 177.420 177.420 177.786 -0.366 19625
5294 1 8 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.708 0.792 19625
5295 1 8 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.340 1.460 19625
5296 1 8 . 1 1 94 94 VAL H H 94 8.230 8.230 8.500 -0.270 19625
5297 1 8 . 1 1 95 95 GLY N N 95 106.450 106.450 107.481 -1.031 19625
5298 1 8 . 1 1 95 95 GLY C C 95 174.810 174.810 175.467 -0.657 19625
5299 1 8 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.608 0.192 19625
5300 1 8 . 1 1 95 95 GLY H H 95 7.760 7.760 7.794 -0.034 19625
5301 1 8 . 1 1 96 96 PHE N N 96 120.590 120.590 123.170 -2.580 19625
5302 1 8 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.848 -0.058 19625
5303 1 8 . 1 1 96 96 PHE C C 96 176.780 176.780 176.553 0.227 19625
5304 1 8 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.740 1.360 19625
5305 1 8 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.627 0.673 19625
5306 1 8 . 1 1 96 96 PHE H H 96 7.000 7.000 7.737 -0.737 19625
5307 1 8 . 1 1 97 97 TYR N N 97 116.700 116.700 117.007 -0.307 19625
5308 1 8 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.917 -0.987 19625
5309 1 8 . 1 1 97 97 TYR C C 97 175.500 175.500 177.422 -1.922 19625
5310 1 8 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.024 0.676 19625
5311 1 8 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.076 0.724 19625
5312 1 8 . 1 1 97 97 TYR H H 97 7.030 7.030 7.983 -0.953 19625
5313 1 8 . 1 1 98 98 THR N N 98 104.710 104.710 110.207 -5.497 19625
5314 1 8 . 1 1 98 98 THR HA H 98 3.390 3.390 3.479 -0.089 19625
5315 1 8 . 1 1 98 98 THR C C 98 176.830 176.830 175.761 1.069 19625
5316 1 8 . 1 1 98 98 THR CA C 98 65.200 65.200 64.727 0.473 19625
5317 1 8 . 1 1 98 98 THR CB C 98 68.800 68.800 68.083 0.717 19625
5318 1 8 . 1 1 98 98 THR H H 98 7.540 7.540 7.300 0.240 19625
5319 1 8 . 1 1 99 99 GLU N N 99 116.670 116.670 119.443 -2.773 19625
5320 1 8 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.261 -0.051 19625
5321 1 8 . 1 1 99 99 GLU C C 99 176.820 176.820 177.546 -0.726 19625
5322 1 8 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.676 -0.476 19625
5323 1 8 . 1 1 99 99 GLU CB C 99 30.700 30.700 29.973 0.727 19625
5324 1 8 . 1 1 99 99 GLU H H 99 8.390 8.390 8.086 0.304 19625
5325 1 8 . 1 1 100 100 VAL N N 100 117.330 117.330 118.308 -0.978 19625
5326 1 8 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.983 -0.163 19625
5327 1 8 . 1 1 100 100 VAL C C 100 176.200 176.200 176.361 -0.161 19625
5328 1 8 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.093 1.907 19625
5329 1 8 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.747 -0.047 19625
5330 1 8 . 1 1 100 100 VAL H H 100 6.590 6.590 7.534 -0.944 19625
5331 1 8 . 1 1 101 101 LEU N N 101 120.390 120.390 120.826 -0.436 19625
5332 1 8 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.985 -0.365 19625
5333 1 8 . 1 1 101 101 LEU C C 101 177.510 177.510 179.372 -1.862 19625
5334 1 8 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.958 1.742 19625
5335 1 8 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.466 1.644 19625
5336 1 8 . 1 1 101 101 LEU H H 101 7.180 7.180 7.793 -0.613 19625
5337 1 8 . 1 1 102 102 PHE N N 102 114.030 114.030 117.453 -3.423 19625
5338 1 8 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.445 -0.095 19625
5339 1 8 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.175 -0.565 19625
5340 1 8 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.353 -1.583 19625
5341 1 8 . 1 1 102 102 PHE H H 102 8.660 8.660 9.128 -0.468 19625
5342 1 8 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.101 0.129 19625
5343 1 8 . 1 1 103 103 PRO C C 103 180.710 180.710 178.996 1.714 19625
5344 1 8 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.100 0.700 19625
5345 1 8 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.098 0.562 19625
5346 1 8 . 1 1 104 104 GLN N N 104 117.110 117.110 117.572 -0.462 19625
5347 1 8 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.026 -0.146 19625
5348 1 8 . 1 1 104 104 GLN C C 104 177.700 177.700 177.311 0.389 19625
5349 1 8 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.340 1.360 19625
5350 1 8 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.363 1.037 19625
5351 1 8 . 1 1 104 104 GLN H H 104 7.290 7.290 7.929 -0.639 19625
5352 1 8 . 1 1 105 105 LYS N N 105 115.380 115.380 115.080 0.300 19625
5353 1 8 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.525 -0.205 19625
5354 1 8 . 1 1 105 105 LYS C C 105 174.880 174.880 175.475 -0.595 19625
5355 1 8 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.695 -0.895 19625
5356 1 8 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.289 -0.590 19625
5357 1 8 . 1 1 105 105 LYS H H 105 7.650 7.650 7.918 -0.268 19625
5358 1 8 . 1 1 106 106 ASN N N 106 116.100 116.100 118.130 -2.030 19625
5359 1 8 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.315 -0.175 19625
5360 1 8 . 1 1 106 106 ASN C C 106 173.400 173.400 173.882 -0.482 19625
5361 1 8 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.961 1.239 19625
5362 1 8 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.218 -0.418 19625
5363 1 8 . 1 1 106 106 ASN H H 106 7.730 7.730 8.038 -0.308 19625
5364 1 8 . 1 1 107 107 VAL N N 107 119.060 119.060 120.485 -1.425 19625
5365 1 8 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.229 -0.499 19625
5366 1 8 . 1 1 107 107 VAL C C 107 175.280 175.280 175.607 -0.327 19625
5367 1 8 . 1 1 107 107 VAL CA C 107 62.100 62.100 61.512 0.588 19625
5368 1 8 . 1 1 107 107 VAL CB C 107 34.200 34.200 33.189 1.011 19625
5369 1 8 . 1 1 107 107 VAL H H 107 7.970 7.970 8.110 -0.140 19625
5370 1 8 . 1 1 108 108 ARG N N 108 129.920 129.920 127.459 2.461 19625
5371 1 8 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.711 -0.541 19625
5372 1 8 . 1 1 108 108 ARG C C 108 173.020 173.020 174.642 -1.622 19625
5373 1 8 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.468 2.223 19625
5374 1 8 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.822 0.278 19625
5375 1 8 . 1 1 108 108 ARG H H 108 8.230 8.230 8.158 0.072 19625
5376 1 8 . 1 1 109 109 PHE N N 109 129.390 129.390 125.271 4.119 19625
5377 1 8 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.875 0.235 19625
5378 1 8 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.406 -1.276 19625
5379 1 8 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.091 1.799 19625
5380 1 8 . 1 1 109 109 PHE H H 109 8.550 8.550 8.805 -0.255 19625
5381 1 8 . 1 1 110 110 LEU N N 110 130.220 130.220 126.740 3.480 19625
5382 1 8 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.833 -0.743 19625
5383 1 8 . 1 1 110 110 LEU C C 110 172.360 172.360 173.905 -1.545 19625
5384 1 8 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.958 0.652 19625
5385 1 8 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.652 1.048 19625
5386 1 8 . 1 1 110 110 LEU H H 110 8.290 8.290 8.463 -0.173 19625
5387 1 8 . 1 1 111 111 ALA N N 111 123.890 123.890 130.188 -6.298 19625
5388 1 8 . 1 1 111 111 ALA HA H 111 4.580 4.580 5.029 -0.449 19625
5389 1 8 . 1 1 111 111 ALA C C 111 177.470 177.470 177.744 -0.274 19625
5390 1 8 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.855 -1.055 19625
5391 1 8 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.576 0.424 19625
5392 1 8 . 1 1 111 111 ALA H H 111 7.590 7.590 8.601 -1.011 19625
5393 1 8 . 1 1 112 112 ILE N N 112 121.690 121.690 123.879 -2.189 19625
5394 1 8 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.754 -0.614 19625
5395 1 8 . 1 1 112 112 ILE C C 112 177.350 177.350 177.024 0.326 19625
5396 1 8 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.599 1.701 19625
5397 1 8 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.542 0.498 19625
5398 1 8 . 1 1 112 112 ILE H H 112 7.700 7.700 8.235 -0.535 19625
5399 1 8 . 1 1 113 113 ASN N N 113 116.220 116.220 117.351 -1.131 19625
5400 1 8 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.772 -0.032 19625
5401 1 8 . 1 1 113 113 ASN C C 113 175.110 175.110 174.085 1.025 19625
5402 1 8 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.266 0.344 19625
5403 1 8 . 1 1 113 113 ASN CB C 113 39.660 39.660 39.110 0.550 19625
5404 1 8 . 1 1 113 113 ASN H H 113 8.350 8.350 8.150 0.200 19625
5405 1 8 . 1 1 114 114 ASN N N 114 118.560 118.560 117.082 1.478 19625
5406 1 8 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.697 -0.097 19625
5407 1 8 . 1 1 114 114 ASN C C 114 174.870 174.870 173.513 1.357 19625
5408 1 8 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.077 1.263 19625
5409 1 8 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.427 0.173 19625
5410 1 8 . 1 1 114 114 ASN H H 114 8.110 8.110 7.631 0.479 19625
5411 1 8 . 1 1 115 115 SER N N 115 114.600 114.600 116.967 -2.367 19625
5412 1 8 . 1 1 115 115 SER HA H 115 4.320 4.320 4.570 -0.250 19625
5413 1 8 . 1 1 115 115 SER C C 115 174.120 174.120 174.603 -0.483 19625
5414 1 8 . 1 1 115 115 SER CA C 115 59.260 59.260 58.974 0.286 19625
5415 1 8 . 1 1 115 115 SER CB C 115 64.200 64.200 63.115 1.085 19625
5416 1 8 . 1 1 115 115 SER H H 115 8.010 8.010 8.646 -0.636 19625
5417 1 8 . 1 1 116 116 ILE N N 116 121.020 121.020 127.315 -6.295 19625
5418 1 8 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.904 0.116 19625
5419 1 8 . 1 1 116 116 ILE C C 116 175.590 175.590 176.208 -0.618 19625
5420 1 8 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.248 -1.058 19625
5421 1 8 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.058 1.842 19625
5422 1 8 . 1 1 116 116 ILE H H 116 7.920 7.920 8.775 -0.855 19625
5423 1 8 . 1 1 117 117 ASP N N 117 124.190 124.190 116.063 8.127 19625
5424 1 8 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.852 -0.262 19625
5425 1 8 . 1 1 117 117 ASP C C 117 174.870 174.870 175.618 -0.748 19625
5426 1 8 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.876 0.904 19625
5427 1 8 . 1 1 117 117 ASP CB C 117 42.490 42.490 42.143 0.347 19625
5428 1 8 . 1 1 117 117 ASP H H 117 8.160 8.160 7.919 0.241 19625
5429 1 8 . 1 1 118 118 SER N N 118 116.920 116.920 115.770 1.150 19625
5430 1 8 . 1 1 118 118 SER HA H 118 4.250 4.250 4.392 -0.142 19625
5431 1 8 . 1 1 118 118 SER C C 118 174.260 174.260 172.684 1.576 19625
5432 1 8 . 1 1 118 118 SER CA C 118 59.770 59.770 58.907 0.863 19625
5433 1 8 . 1 1 118 118 SER CB C 118 64.500 64.500 63.578 0.922 19625
5434 1 8 . 1 1 118 118 SER H H 118 8.220 8.220 8.293 -0.073 19625
5435 1 8 . 1 1 119 119 ASN N N 119 120.830 120.830 121.105 -0.275 19625
5436 1 8 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.957 -0.377 19625
5437 1 8 . 1 1 119 119 ASN C C 119 174.120 174.120 173.450 0.670 19625
5438 1 8 . 1 1 119 119 ASN CA C 119 54.200 54.200 52.767 1.433 19625
5439 1 8 . 1 1 119 119 ASN CB C 119 39.700 39.700 40.052 -0.352 19625
5440 1 8 . 1 1 119 119 ASN H H 119 8.330 8.330 8.560 -0.230 19625
5441 1 9 . 1 1 2 2 SER HA H 2 4.320 4.320 4.845 -0.525 19625
5442 1 9 . 1 1 2 2 SER C C 2 174.400 174.400 175.669 -1.269 19625
5443 1 9 . 1 1 2 2 SER CA C 2 59.200 59.200 58.009 1.191 19625
5444 1 9 . 1 1 2 2 SER CB C 2 64.800 64.800 65.088 -0.287 19625
5445 1 9 . 1 1 3 3 ARG N N 3 123.220 123.220 118.931 4.289 19625
5446 1 9 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.616 -0.386 19625
5447 1 9 . 1 1 3 3 ARG C C 3 176.320 176.320 175.152 1.168 19625
5448 1 9 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.578 0.722 19625
5449 1 9 . 1 1 3 3 ARG CB C 3 31.600 31.600 31.446 0.154 19625
5450 1 9 . 1 1 3 3 ARG H H 3 8.590 8.590 8.344 0.246 19625
5451 1 9 . 1 1 4 4 THR N N 4 114.540 114.540 113.670 0.870 19625
5452 1 9 . 1 1 4 4 THR HA H 4 4.270 4.270 4.498 -0.228 19625
5453 1 9 . 1 1 4 4 THR C C 4 173.880 173.880 172.873 1.007 19625
5454 1 9 . 1 1 4 4 THR CA C 4 62.200 62.200 61.858 0.342 19625
5455 1 9 . 1 1 4 4 THR CB C 4 70.700 70.700 69.891 0.809 19625
5456 1 9 . 1 1 4 4 THR H H 4 8.090 8.090 7.974 0.116 19625
5457 1 9 . 1 1 5 5 SER N N 5 117.410 117.410 116.745 0.665 19625
5458 1 9 . 1 1 5 5 SER HA H 5 4.320 4.320 4.294 0.026 19625
5459 1 9 . 1 1 5 5 SER C C 5 174.020 174.020 174.484 -0.464 19625
5460 1 9 . 1 1 5 5 SER CA C 5 58.900 58.900 59.166 -0.266 19625
5461 1 9 . 1 1 5 5 SER CB C 5 64.700 64.700 62.925 1.775 19625
5462 1 9 . 1 1 5 5 SER H H 5 8.100 8.100 8.555 -0.455 19625
5463 1 9 . 1 1 6 6 ARG N N 6 122.330 122.330 123.201 -0.871 19625
5464 1 9 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.723 -0.433 19625
5465 1 9 . 1 1 6 6 ARG C C 6 176.850 176.850 176.204 0.646 19625
5466 1 9 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.255 2.145 19625
5467 1 9 . 1 1 6 6 ARG CB C 6 33.400 33.400 31.290 2.110 19625
5468 1 9 . 1 1 6 6 ARG H H 6 8.100 8.100 8.176 -0.076 19625
5469 1 9 . 1 1 7 7 ILE N N 7 115.270 115.270 113.349 1.921 19625
5470 1 9 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.493 0.077 19625
5471 1 9 . 1 1 7 7 ILE C C 7 177.060 177.060 173.908 3.152 19625
5472 1 9 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.315 1.915 19625
5473 1 9 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.458 0.722 19625
5474 1 9 . 1 1 7 7 ILE H H 7 8.550 8.550 8.597 -0.047 19625
5475 1 9 . 1 1 8 8 THR N N 8 120.840 120.840 117.679 3.161 19625
5476 1 9 . 1 1 8 8 THR HA H 8 4.420 4.420 4.482 -0.062 19625
5477 1 9 . 1 1 8 8 THR C C 8 172.530 172.530 173.295 -0.765 19625
5478 1 9 . 1 1 8 8 THR CA C 8 63.100 63.100 61.635 1.465 19625
5479 1 9 . 1 1 8 8 THR CB C 8 69.000 69.000 70.269 -1.268 19625
5480 1 9 . 1 1 8 8 THR H H 8 8.030 8.030 7.912 0.118 19625
5481 1 9 . 1 1 9 9 ALA N N 9 129.200 129.200 128.068 1.132 19625
5482 1 9 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.035 -0.255 19625
5483 1 9 . 1 1 9 9 ALA C C 9 173.980 173.980 174.799 -0.819 19625
5484 1 9 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.455 0.845 19625
5485 1 9 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.057 2.343 19625
5486 1 9 . 1 1 9 9 ALA H H 9 9.210 9.210 9.085 0.125 19625
5487 1 9 . 1 1 10 10 LEU N N 10 124.830 124.830 128.153 -3.323 19625
5488 1 9 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.046 -0.216 19625
5489 1 9 . 1 1 10 10 LEU C C 10 174.400 174.400 174.573 -0.173 19625
5490 1 9 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.820 -0.020 19625
5491 1 9 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.244 -2.744 19625
5492 1 9 . 1 1 10 10 LEU H H 10 8.720 8.720 8.936 -0.216 19625
5493 1 9 . 1 1 11 11 TYR N N 11 122.470 122.470 128.960 -6.490 19625
5494 1 9 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.718 0.112 19625
5495 1 9 . 1 1 11 11 TYR C C 11 174.120 174.120 173.451 0.669 19625
5496 1 9 . 1 1 11 11 TYR CA C 11 57.100 57.100 54.972 2.128 19625
5497 1 9 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.381 0.119 19625
5498 1 9 . 1 1 11 11 TYR H H 11 8.000 8.000 8.790 -0.790 19625
5499 1 9 . 1 1 12 12 GLU N N 12 121.360 121.360 126.198 -4.838 19625
5500 1 9 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.686 -0.486 19625
5501 1 9 . 1 1 12 12 GLU C C 12 172.720 172.720 174.501 -1.781 19625
5502 1 9 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.418 1.282 19625
5503 1 9 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.503 -3.103 19625
5504 1 9 . 1 1 12 12 GLU H H 12 7.870 7.870 8.631 -0.761 19625
5505 1 9 . 1 1 13 13 ARG N N 13 118.180 118.180 119.082 -0.902 19625
5506 1 9 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.759 0.111 19625
5507 1 9 . 1 1 13 13 ARG C C 13 174.680 174.680 174.084 0.596 19625
5508 1 9 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.406 0.394 19625
5509 1 9 . 1 1 13 13 ARG CB C 13 35.360 35.360 32.959 2.401 19625
5510 1 9 . 1 1 13 13 ARG H H 13 7.290 7.290 8.309 -1.019 19625
5511 1 9 . 1 1 14 14 LEU N N 14 131.070 131.070 122.605 8.465 19625
5512 1 9 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.851 -0.461 19625
5513 1 9 . 1 1 14 14 LEU C C 14 172.930 172.930 174.963 -2.033 19625
5514 1 9 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.582 2.818 19625
5515 1 9 . 1 1 14 14 LEU CB C 14 47.800 47.800 44.868 2.932 19625
5516 1 9 . 1 1 14 14 LEU H H 14 8.010 8.010 9.096 -1.086 19625
5517 1 9 . 1 1 15 15 SER N N 15 118.940 118.940 118.065 0.875 19625
5518 1 9 . 1 1 15 15 SER HA H 15 4.520 4.520 4.626 -0.106 19625
5519 1 9 . 1 1 15 15 SER C C 15 175.380 175.380 175.563 -0.183 19625
5520 1 9 . 1 1 15 15 SER CA C 15 58.300 58.300 58.506 -0.206 19625
5521 1 9 . 1 1 15 15 SER CB C 15 65.300 65.300 64.387 0.913 19625
5522 1 9 . 1 1 15 15 SER H H 15 8.580 8.580 8.668 -0.088 19625
5523 1 9 . 1 1 16 16 ARG N N 16 123.190 123.190 126.622 -3.432 19625
5524 1 9 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.206 -0.246 19625
5525 1 9 . 1 1 16 16 ARG C C 16 177.410 177.410 176.476 0.934 19625
5526 1 9 . 1 1 16 16 ARG CA C 16 59.500 59.500 58.060 1.440 19625
5527 1 9 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.307 0.093 19625
5528 1 9 . 1 1 16 16 ARG H H 16 8.980 8.980 8.861 0.119 19625
5529 1 9 . 1 1 17 17 ASP N N 17 115.110 115.110 118.040 -2.930 19625
5530 1 9 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.498 -0.198 19625
5531 1 9 . 1 1 17 17 ASP C C 17 176.090 176.090 175.537 0.553 19625
5532 1 9 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.793 -0.193 19625
5533 1 9 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.574 -0.474 19625
5534 1 9 . 1 1 17 17 ASP H H 17 8.160 8.160 8.093 0.067 19625
5535 1 9 . 1 1 18 18 ASP N N 18 119.390 119.390 118.274 1.116 19625
5536 1 9 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.361 -0.061 19625
5537 1 9 . 1 1 18 18 ASP C C 18 175.750 175.750 175.733 0.017 19625
5538 1 9 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.708 1.592 19625
5539 1 9 . 1 1 18 18 ASP CB C 18 42.740 42.740 40.521 2.219 19625
5540 1 9 . 1 1 18 18 ASP H H 18 7.240 7.240 7.702 -0.462 19625
5541 1 9 . 1 1 19 19 ASP N N 19 117.850 117.850 118.308 -0.458 19625
5542 1 9 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.538 -0.308 19625
5543 1 9 . 1 1 19 19 ASP C C 19 175.300 175.300 175.525 -0.225 19625
5544 1 9 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.536 1.494 19625
5545 1 9 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.760 0.300 19625
5546 1 9 . 1 1 19 19 ASP H H 19 8.000 8.000 8.681 -0.681 19625
5547 1 9 . 1 1 20 20 LEU N N 20 120.230 120.230 118.756 1.474 19625
5548 1 9 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.609 -0.229 19625
5549 1 9 . 1 1 20 20 LEU C C 20 176.830 176.830 176.694 0.136 19625
5550 1 9 . 1 1 20 20 LEU CA C 20 55.100 55.100 54.895 0.205 19625
5551 1 9 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.784 0.696 19625
5552 1 9 . 1 1 20 20 LEU H H 20 7.960 7.960 7.439 0.521 19625
5553 1 9 . 1 1 21 21 THR N N 21 113.040 113.040 112.979 0.061 19625
5554 1 9 . 1 1 21 21 THR HA H 21 4.290 4.290 4.033 0.257 19625
5555 1 9 . 1 1 21 21 THR C C 21 174.900 174.900 174.362 0.538 19625
5556 1 9 . 1 1 21 21 THR CA C 21 61.970 61.970 62.709 -0.739 19625
5557 1 9 . 1 1 21 21 THR CB C 21 71.200 71.200 67.471 3.729 19625
5558 1 9 . 1 1 21 21 THR H H 21 8.070 8.070 7.968 0.102 19625
5559 1 9 . 1 1 22 22 GLY N N 22 110.100 110.100 114.643 -4.543 19625
5560 1 9 . 1 1 22 22 GLY C C 22 175.110 175.110 174.114 0.996 19625
5561 1 9 . 1 1 22 22 GLY CA C 22 45.970 45.970 46.123 -0.153 19625
5562 1 9 . 1 1 22 22 GLY H H 22 8.230 8.230 8.198 0.032 19625
5563 1 9 . 1 1 23 23 GLU N N 23 121.940 121.940 121.506 0.434 19625
5564 1 9 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.377 -0.377 19625
5565 1 9 . 1 1 23 23 GLU C C 23 178.200 178.200 177.151 1.049 19625
5566 1 9 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.675 1.225 19625
5567 1 9 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.805 0.794 19625
5568 1 9 . 1 1 23 23 GLU H H 23 8.550 8.550 8.618 -0.068 19625
5569 1 9 . 1 1 24 24 SER N N 24 114.930 114.930 112.601 2.329 19625
5570 1 9 . 1 1 24 24 SER HA H 24 3.990 3.990 4.313 -0.323 19625
5571 1 9 . 1 1 24 24 SER C C 24 174.000 174.000 173.665 0.335 19625
5572 1 9 . 1 1 24 24 SER CA C 24 61.610 61.610 58.983 2.627 19625
5573 1 9 . 1 1 24 24 SER CB C 24 63.600 63.600 63.286 0.314 19625
5574 1 9 . 1 1 24 24 SER H H 24 8.290 8.290 8.041 0.249 19625
5575 1 9 . 1 1 25 25 ASN N N 25 117.820 117.820 116.049 1.771 19625
5576 1 9 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.762 -0.032 19625
5577 1 9 . 1 1 25 25 ASN C C 25 174.380 174.380 174.318 0.062 19625
5578 1 9 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.567 0.533 19625
5579 1 9 . 1 1 25 25 ASN CB C 25 40.800 40.800 38.506 2.294 19625
5580 1 9 . 1 1 25 25 ASN H H 25 7.620 7.620 7.790 -0.170 19625
5581 1 9 . 1 1 26 26 SER N N 26 115.050 115.050 113.575 1.475 19625
5582 1 9 . 1 1 26 26 SER HA H 26 4.140 4.140 4.499 -0.359 19625
5583 1 9 . 1 1 26 26 SER C C 26 174.660 174.660 173.898 0.762 19625
5584 1 9 . 1 1 26 26 SER CA C 26 58.500 58.500 57.559 0.940 19625
5585 1 9 . 1 1 26 26 SER CB C 26 65.000 65.000 66.190 -1.190 19625
5586 1 9 . 1 1 26 26 SER H H 26 7.510 7.510 7.478 0.032 19625
5587 1 9 . 1 1 27 27 ILE N N 27 124.200 124.200 122.918 1.282 19625
5588 1 9 . 1 1 27 27 ILE HA H 27 3.460 3.460 4.057 -0.597 19625
5589 1 9 . 1 1 27 27 ILE C C 27 177.540 177.540 178.070 -0.530 19625
5590 1 9 . 1 1 27 27 ILE CA C 27 63.440 63.440 63.886 -0.446 19625
5591 1 9 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.647 -1.247 19625
5592 1 9 . 1 1 27 27 ILE H H 27 8.960 8.960 8.702 0.258 19625
5593 1 9 . 1 1 28 28 THR N N 28 114.810 114.810 115.212 -0.402 19625
5594 1 9 . 1 1 28 28 THR HA H 28 3.510 3.510 4.074 -0.564 19625
5595 1 9 . 1 1 28 28 THR C C 28 176.210 176.210 176.151 0.059 19625
5596 1 9 . 1 1 28 28 THR CA C 28 67.300 67.300 66.694 0.606 19625
5597 1 9 . 1 1 28 28 THR CB C 28 69.240 69.240 68.466 0.774 19625
5598 1 9 . 1 1 28 28 THR H H 28 8.030 8.030 8.318 -0.288 19625
5599 1 9 . 1 1 29 29 ASN N N 29 120.670 120.670 117.974 2.696 19625
5600 1 9 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.472 -0.072 19625
5601 1 9 . 1 1 29 29 ASN C C 29 175.110 175.110 177.294 -2.184 19625
5602 1 9 . 1 1 29 29 ASN CA C 29 57.100 57.100 57.105 -0.005 19625
5603 1 9 . 1 1 29 29 ASN CB C 29 38.700 38.700 37.938 0.762 19625
5604 1 9 . 1 1 29 29 ASN H H 29 7.640 7.640 8.414 -0.774 19625
5605 1 9 . 1 1 30 30 GLN N N 30 122.180 122.180 119.309 2.871 19625
5606 1 9 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.083 -0.233 19625
5607 1 9 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.885 2.625 19625
5608 1 9 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.835 4.225 19625
5609 1 9 . 1 1 30 30 GLN H H 30 8.620 8.620 8.306 0.314 19625
5610 1 9 . 1 1 31 31 LYS N N 31 116.860 116.860 119.926 -3.066 19625
5611 1 9 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.175 -0.345 19625
5612 1 9 . 1 1 31 31 LYS C C 31 178.370 178.370 179.527 -1.157 19625
5613 1 9 . 1 1 31 31 LYS CA C 31 61.300 61.300 60.064 1.236 19625
5614 1 9 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.138 1.442 19625
5615 1 9 . 1 1 31 31 LYS H H 31 8.230 8.230 7.830 0.400 19625
5616 1 9 . 1 1 32 32 LYS N N 32 117.720 117.720 119.404 -1.684 19625
5617 1 9 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.355 -0.505 19625
5618 1 9 . 1 1 32 32 LYS C C 32 177.840 177.840 179.080 -1.240 19625
5619 1 9 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.526 0.674 19625
5620 1 9 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.260 1.240 19625
5621 1 9 . 1 1 32 32 LYS H H 32 7.470 7.470 7.769 -0.299 19625
5622 1 9 . 1 1 33 33 TYR N N 33 120.230 120.230 121.768 -1.538 19625
5623 1 9 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.124 0.016 19625
5624 1 9 . 1 1 33 33 TYR C C 33 178.990 178.990 177.690 1.300 19625
5625 1 9 . 1 1 33 33 TYR CA C 33 61.900 61.900 61.938 -0.038 19625
5626 1 9 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.409 1.841 19625
5627 1 9 . 1 1 33 33 TYR H H 33 8.210 8.210 7.768 0.442 19625
5628 1 9 . 1 1 34 34 LEU N N 34 117.680 117.680 117.319 0.361 19625
5629 1 9 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.846 -0.066 19625
5630 1 9 . 1 1 34 34 LEU C C 34 178.370 178.370 179.343 -0.973 19625
5631 1 9 . 1 1 34 34 LEU CA C 34 59.000 59.000 56.772 2.228 19625
5632 1 9 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.086 2.914 19625
5633 1 9 . 1 1 34 34 LEU H H 34 8.270 8.270 7.986 0.284 19625
5634 1 9 . 1 1 35 35 GLU N N 35 120.040 120.040 120.552 -0.512 19625
5635 1 9 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.952 -0.352 19625
5636 1 9 . 1 1 35 35 GLU C C 35 178.480 178.480 178.853 -0.373 19625
5637 1 9 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.128 1.372 19625
5638 1 9 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.536 0.864 19625
5639 1 9 . 1 1 35 35 GLU H H 35 8.490 8.490 8.170 0.320 19625
5640 1 9 . 1 1 36 36 ASP N N 36 119.540 119.540 118.587 0.953 19625
5641 1 9 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.361 -0.161 19625
5642 1 9 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.828 0.572 19625
5643 1 9 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.900 0.500 19625
5644 1 9 . 1 1 36 36 ASP H H 36 8.410 8.410 8.553 -0.143 19625
5645 1 9 . 1 1 37 37 TYR N N 37 120.120 120.120 120.385 -0.265 19625
5646 1 9 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.135 -0.555 19625
5647 1 9 . 1 1 37 37 TYR C C 37 178.270 178.270 176.834 1.436 19625
5648 1 9 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.186 1.814 19625
5649 1 9 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.564 1.096 19625
5650 1 9 . 1 1 37 37 TYR H H 37 7.560 7.560 7.428 0.132 19625
5651 1 9 . 1 1 38 38 ALA N N 38 122.290 122.290 121.052 1.238 19625
5652 1 9 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.346 -0.426 19625
5653 1 9 . 1 1 38 38 ALA C C 38 178.770 178.770 179.832 -1.062 19625
5654 1 9 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.483 0.617 19625
5655 1 9 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.392 0.508 19625
5656 1 9 . 1 1 38 38 ALA H H 38 8.740 8.740 8.925 -0.185 19625
5657 1 9 . 1 1 39 39 ARG N N 39 117.070 117.070 116.924 0.146 19625
5658 1 9 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.084 -0.144 19625
5659 1 9 . 1 1 39 39 ARG C C 39 180.550 180.550 178.258 2.292 19625
5660 1 9 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.232 1.968 19625
5661 1 9 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.012 0.588 19625
5662 1 9 . 1 1 39 39 ARG H H 39 8.390 8.390 8.398 -0.008 19625
5663 1 9 . 1 1 40 40 ARG N N 40 118.990 118.990 119.201 -0.211 19625
5664 1 9 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.066 -0.216 19625
5665 1 9 . 1 1 40 40 ARG C C 40 177.010 177.010 177.747 -0.737 19625
5666 1 9 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.081 1.419 19625
5667 1 9 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.554 1.146 19625
5668 1 9 . 1 1 40 40 ARG H H 40 8.030 8.030 7.738 0.292 19625
5669 1 9 . 1 1 41 41 ASN N N 41 113.570 113.570 115.266 -1.696 19625
5670 1 9 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.441 -0.121 19625
5671 1 9 . 1 1 41 41 ASN C C 41 173.550 173.550 175.621 -2.071 19625
5672 1 9 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.990 0.410 19625
5673 1 9 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.847 0.853 19625
5674 1 9 . 1 1 41 41 ASN H H 41 7.020 7.020 7.986 -0.966 19625
5675 1 9 . 1 1 42 42 GLY N N 42 106.670 106.670 107.926 -1.256 19625
5676 1 9 . 1 1 42 42 GLY C C 42 174.120 174.120 173.436 0.684 19625
5677 1 9 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.654 2.646 19625
5678 1 9 . 1 1 42 42 GLY H H 42 7.230 7.230 7.970 -0.740 19625
5679 1 9 . 1 1 43 43 PHE N N 43 119.360 119.360 119.809 -0.449 19625
5680 1 9 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.690 -0.350 19625
5681 1 9 . 1 1 43 43 PHE C C 43 174.900 174.900 175.436 -0.536 19625
5682 1 9 . 1 1 43 43 PHE CA C 43 59.000 59.000 57.121 1.879 19625
5683 1 9 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.473 -0.973 19625
5684 1 9 . 1 1 43 43 PHE H H 43 7.870 7.870 8.266 -0.396 19625
5685 1 9 . 1 1 44 44 GLU N N 44 119.760 119.760 121.868 -2.108 19625
5686 1 9 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.533 -0.163 19625
5687 1 9 . 1 1 44 44 GLU C C 44 175.870 175.870 176.299 -0.429 19625
5688 1 9 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.333 1.177 19625
5689 1 9 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.526 2.174 19625
5690 1 9 . 1 1 44 44 GLU H H 44 8.510 8.510 8.766 -0.256 19625
5691 1 9 . 1 1 45 45 ASN N N 45 118.280 118.280 115.546 2.734 19625
5692 1 9 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.344 -0.184 19625
5693 1 9 . 1 1 45 45 ASN C C 45 174.730 174.730 174.174 0.556 19625
5694 1 9 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.310 -0.110 19625
5695 1 9 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.808 0.892 19625
5696 1 9 . 1 1 45 45 ASN H H 45 8.710 8.710 8.805 -0.095 19625
5697 1 9 . 1 1 46 46 ILE N N 46 117.440 117.440 118.838 -1.398 19625
5698 1 9 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.787 0.593 19625
5699 1 9 . 1 1 46 46 ILE C C 46 177.370 177.370 175.454 1.916 19625
5700 1 9 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.301 -0.001 19625
5701 1 9 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.156 3.744 19625
5702 1 9 . 1 1 46 46 ILE H H 46 7.840 7.840 8.122 -0.282 19625
5703 1 9 . 1 1 47 47 ARG N N 47 126.600 126.600 128.437 -1.837 19625
5704 1 9 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.312 -0.062 19625
5705 1 9 . 1 1 47 47 ARG C C 47 173.900 173.900 174.783 -0.883 19625
5706 1 9 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.568 1.332 19625
5707 1 9 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.198 3.901 19625
5708 1 9 . 1 1 47 47 ARG H H 47 8.440 8.440 7.897 0.543 19625
5709 1 9 . 1 1 48 48 HIS N N 48 122.600 122.600 124.276 -1.676 19625
5710 1 9 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.740 0.440 19625
5711 1 9 . 1 1 48 48 HIS C C 48 175.370 175.370 174.884 0.486 19625
5712 1 9 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.758 1.742 19625
5713 1 9 . 1 1 48 48 HIS CB C 48 32.500 32.500 29.920 2.580 19625
5714 1 9 . 1 1 48 48 HIS H H 48 8.530 8.530 8.727 -0.197 19625
5715 1 9 . 1 1 49 49 PHE N N 49 124.090 124.090 126.759 -2.669 19625
5716 1 9 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.816 -0.336 19625
5717 1 9 . 1 1 49 49 PHE C C 49 173.760 173.760 174.985 -1.225 19625
5718 1 9 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.353 2.047 19625
5719 1 9 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.862 3.638 19625
5720 1 9 . 1 1 49 49 PHE H H 49 9.340 9.340 9.614 -0.274 19625
5721 1 9 . 1 1 50 50 THR N N 50 117.900 117.900 117.904 -0.004 19625
5722 1 9 . 1 1 50 50 THR HA H 50 4.720 4.720 4.861 -0.141 19625
5723 1 9 . 1 1 50 50 THR C C 50 172.640 172.640 174.110 -1.470 19625
5724 1 9 . 1 1 50 50 THR CA C 50 63.200 63.200 62.224 0.976 19625
5725 1 9 . 1 1 50 50 THR CB C 50 72.300 72.300 70.282 2.018 19625
5726 1 9 . 1 1 50 50 THR H H 50 8.530 8.530 8.357 0.173 19625
5727 1 9 . 1 1 51 51 ASP N N 51 127.240 127.240 125.218 2.022 19625
5728 1 9 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.474 0.796 19625
5729 1 9 . 1 1 51 51 ASP C C 51 173.530 173.530 173.933 -0.403 19625
5730 1 9 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.850 2.150 19625
5731 1 9 . 1 1 51 51 ASP CB C 51 44.300 44.300 43.398 0.902 19625
5732 1 9 . 1 1 51 51 ASP H H 51 8.560 8.560 8.534 0.026 19625
5733 1 9 . 1 1 52 52 ASP N N 52 125.700 125.700 123.978 1.722 19625
5734 1 9 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.454 0.056 19625
5735 1 9 . 1 1 52 52 ASP C C 52 175.090 175.090 175.597 -0.507 19625
5736 1 9 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.203 0.647 19625
5737 1 9 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.420 -0.320 19625
5738 1 9 . 1 1 52 52 ASP H H 52 9.210 9.210 7.037 2.173 19625
5739 1 9 . 1 1 53 53 GLY N N 53 113.640 113.640 112.310 1.330 19625
5740 1 9 . 1 1 53 53 GLY C C 53 173.950 173.950 174.887 -0.937 19625
5741 1 9 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.869 0.731 19625
5742 1 9 . 1 1 53 53 GLY H H 53 8.660 8.660 8.276 0.384 19625
5743 1 9 . 1 1 54 54 PHE N N 54 116.490 116.490 120.829 -4.339 19625
5744 1 9 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.627 -0.147 19625
5745 1 9 . 1 1 54 54 PHE C C 54 174.240 174.240 176.837 -2.597 19625
5746 1 9 . 1 1 54 54 PHE CA C 54 58.200 58.200 55.996 2.204 19625
5747 1 9 . 1 1 54 54 PHE CB C 54 42.900 42.900 38.602 4.298 19625
5748 1 9 . 1 1 54 54 PHE H H 54 6.780 6.780 8.142 -1.362 19625
5749 1 9 . 1 1 55 55 SER N N 55 118.160 118.160 120.623 -2.463 19625
5750 1 9 . 1 1 55 55 SER HA H 55 4.190 4.190 4.604 -0.414 19625
5751 1 9 . 1 1 55 55 SER C C 55 175.490 175.490 175.293 0.197 19625
5752 1 9 . 1 1 55 55 SER CA C 55 59.000 59.000 58.165 0.835 19625
5753 1 9 . 1 1 55 55 SER CB C 55 63.600 63.600 65.023 -1.423 19625
5754 1 9 . 1 1 55 55 SER H H 55 8.620 8.620 8.867 -0.247 19625
5755 1 9 . 1 1 56 56 GLY N N 56 113.640 113.640 109.936 3.704 19625
5756 1 9 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.016 0.784 19625
5757 1 9 . 1 1 56 56 GLY H H 56 8.990 8.990 8.677 0.313 19625
5758 1 9 . 1 1 57 57 VAL N N 57 118.020 118.020 116.091 1.929 19625
5759 1 9 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.174 -0.554 19625
5760 1 9 . 1 1 57 57 VAL C C 57 173.800 173.800 175.450 -1.650 19625
5761 1 9 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.348 3.202 19625
5762 1 9 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.526 0.084 19625
5763 1 9 . 1 1 57 57 VAL H H 57 8.250 8.250 7.413 0.837 19625
5764 1 9 . 1 1 58 58 ASN N N 58 112.780 112.780 117.947 -5.167 19625
5765 1 9 . 1 1 58 58 ASN HA H 58 4.480 4.480 3.894 0.586 19625
5766 1 9 . 1 1 58 58 ASN C C 58 174.310 174.310 174.362 -0.052 19625
5767 1 9 . 1 1 58 58 ASN CA C 58 52.520 52.520 53.656 -1.135 19625
5768 1 9 . 1 1 58 58 ASN CB C 58 41.900 41.900 36.966 4.934 19625
5769 1 9 . 1 1 58 58 ASN H H 58 6.830 6.830 7.894 -1.064 19625
5770 1 9 . 1 1 59 59 PHE N N 59 118.570 118.570 119.158 -0.588 19625
5771 1 9 . 1 1 59 59 PHE HA H 59 3.940 3.940 2.944 0.996 19625
5772 1 9 . 1 1 59 59 PHE C C 59 175.310 175.310 175.328 -0.018 19625
5773 1 9 . 1 1 59 59 PHE CA C 59 59.300 59.300 58.542 0.758 19625
5774 1 9 . 1 1 59 59 PHE CB C 59 38.600 38.600 38.025 0.575 19625
5775 1 9 . 1 1 59 59 PHE H H 59 8.950 8.950 7.756 1.194 19625
5776 1 9 . 1 1 60 60 ASN N N 60 124.690 124.690 115.688 9.002 19625
5777 1 9 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.531 0.199 19625
5778 1 9 . 1 1 60 60 ASN C C 60 172.860 172.860 173.714 -0.854 19625
5779 1 9 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.674 -0.674 19625
5780 1 9 . 1 1 60 60 ASN CB C 60 37.100 37.100 38.127 -1.026 19625
5781 1 9 . 1 1 60 60 ASN H H 60 8.620 8.620 8.449 0.171 19625
5782 1 9 . 1 1 61 61 ARG N N 61 119.260 119.260 117.620 1.640 19625
5783 1 9 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.713 -0.313 19625
5784 1 9 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.612 -3.022 19625
5785 1 9 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.220 1.840 19625
5786 1 9 . 1 1 61 61 ARG H H 61 7.440 7.440 7.910 -0.470 19625
5787 1 9 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.355 -0.205 19625
5788 1 9 . 1 1 62 62 PRO C C 62 179.790 179.790 178.602 1.188 19625
5789 1 9 . 1 1 62 62 PRO CA C 62 66.200 66.200 65.964 0.236 19625
5790 1 9 . 1 1 62 62 PRO CB C 62 32.900 32.900 31.936 0.964 19625
5791 1 9 . 1 1 63 63 GLY N N 63 117.020 117.020 106.992 10.028 19625
5792 1 9 . 1 1 63 63 GLY C C 63 176.580 176.580 176.495 0.085 19625
5793 1 9 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.367 0.333 19625
5794 1 9 . 1 1 63 63 GLY H H 63 10.740 10.740 8.967 1.773 19625
5795 1 9 . 1 1 64 64 PHE N N 64 125.390 125.390 122.365 3.025 19625
5796 1 9 . 1 1 64 64 PHE HA H 64 3.560 3.560 3.950 -0.390 19625
5797 1 9 . 1 1 64 64 PHE C C 64 176.330 176.330 176.448 -0.118 19625
5798 1 9 . 1 1 64 64 PHE CA C 64 63.300 63.300 60.051 3.249 19625
5799 1 9 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.780 1.820 19625
5800 1 9 . 1 1 64 64 PHE H H 64 9.180 9.180 7.973 1.207 19625
5801 1 9 . 1 1 65 65 GLN N N 65 115.560 115.560 118.686 -3.126 19625
5802 1 9 . 1 1 65 65 GLN HA H 65 3.690 3.690 3.847 -0.157 19625
5803 1 9 . 1 1 65 65 GLN C C 65 179.240 179.240 178.679 0.561 19625
5804 1 9 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.072 1.028 19625
5805 1 9 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.244 0.156 19625
5806 1 9 . 1 1 65 65 GLN H H 65 8.480 8.480 8.878 -0.398 19625
5807 1 9 . 1 1 66 66 SER N N 66 116.700 116.700 115.340 1.360 19625
5808 1 9 . 1 1 66 66 SER HA H 66 4.080 4.080 4.236 -0.156 19625
5809 1 9 . 1 1 66 66 SER C C 66 175.920 175.920 176.068 -0.148 19625
5810 1 9 . 1 1 66 66 SER CA C 66 62.930 62.930 62.196 0.734 19625
5811 1 9 . 1 1 66 66 SER CB C 66 63.880 63.880 63.361 0.519 19625
5812 1 9 . 1 1 66 66 SER H H 66 8.010 8.010 7.557 0.453 19625
5813 1 9 . 1 1 67 67 LEU N N 67 124.100 124.100 122.720 1.380 19625
5814 1 9 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.560 0.260 19625
5815 1 9 . 1 1 67 67 LEU C C 67 177.790 177.790 177.862 -0.072 19625
5816 1 9 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.034 1.366 19625
5817 1 9 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.597 0.503 19625
5818 1 9 . 1 1 67 67 LEU H H 67 7.830 7.830 7.187 0.643 19625
5819 1 9 . 1 1 68 68 ILE N N 68 118.610 118.610 118.957 -0.347 19625
5820 1 9 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.365 -0.125 19625
5821 1 9 . 1 1 68 68 ILE C C 68 177.730 177.730 176.978 0.752 19625
5822 1 9 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.331 -1.231 19625
5823 1 9 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.176 -2.076 19625
5824 1 9 . 1 1 68 68 ILE H H 68 8.030 8.030 8.295 -0.265 19625
5825 1 9 . 1 1 69 69 LYS N N 69 120.680 120.680 120.652 0.028 19625
5826 1 9 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.173 -0.273 19625
5827 1 9 . 1 1 69 69 LYS C C 69 180.050 180.050 178.671 1.379 19625
5828 1 9 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.633 1.167 19625
5829 1 9 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.828 0.772 19625
5830 1 9 . 1 1 69 69 LYS H H 69 7.500 7.500 7.808 -0.308 19625
5831 1 9 . 1 1 70 70 GLU N N 70 118.700 118.700 118.677 0.023 19625
5832 1 9 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.109 -0.049 19625
5833 1 9 . 1 1 70 70 GLU C C 70 178.860 178.860 178.835 0.025 19625
5834 1 9 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.760 0.740 19625
5835 1 9 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.325 0.375 19625
5836 1 9 . 1 1 70 70 GLU H H 70 7.300 7.300 7.580 -0.280 19625
5837 1 9 . 1 1 71 71 VAL N N 71 121.570 121.570 119.598 1.972 19625
5838 1 9 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.437 0.043 19625
5839 1 9 . 1 1 71 71 VAL C C 71 180.380 180.380 178.477 1.903 19625
5840 1 9 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.281 -0.181 19625
5841 1 9 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.281 0.919 19625
5842 1 9 . 1 1 71 71 VAL H H 71 8.380 8.380 7.435 0.945 19625
5843 1 9 . 1 1 72 72 GLU N N 72 120.090 120.090 121.239 -1.149 19625
5844 1 9 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.021 -0.461 19625
5845 1 9 . 1 1 72 72 GLU C C 72 177.470 177.470 178.117 -0.647 19625
5846 1 9 . 1 1 72 72 GLU CA C 72 60.800 60.800 59.124 1.676 19625
5847 1 9 . 1 1 72 72 GLU CB C 72 30.440 30.440 28.957 1.483 19625
5848 1 9 . 1 1 72 72 GLU H H 72 9.010 9.010 8.610 0.400 19625
5849 1 9 . 1 1 73 73 ALA N N 73 118.560 118.560 120.632 -2.072 19625
5850 1 9 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.328 -0.208 19625
5851 1 9 . 1 1 73 73 ALA C C 73 177.350 177.350 177.892 -0.542 19625
5852 1 9 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.019 1.381 19625
5853 1 9 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.962 1.038 19625
5854 1 9 . 1 1 73 73 ALA H H 73 7.320 7.320 7.677 -0.357 19625
5855 1 9 . 1 1 74 74 GLY N N 74 105.060 105.060 106.706 -1.646 19625
5856 1 9 . 1 1 74 74 GLY C C 74 176.280 176.280 174.353 1.927 19625
5857 1 9 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.190 1.310 19625
5858 1 9 . 1 1 74 74 GLY H H 74 7.690 7.690 7.458 0.232 19625
5859 1 9 . 1 1 75 75 ASN N N 75 115.690 115.690 116.827 -1.137 19625
5860 1 9 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.799 -0.099 19625
5861 1 9 . 1 1 75 75 ASN C C 75 174.100 174.100 175.748 -1.648 19625
5862 1 9 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.555 0.845 19625
5863 1 9 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.096 0.504 19625
5864 1 9 . 1 1 75 75 ASN H H 75 7.710 7.710 8.543 -0.833 19625
5865 1 9 . 1 1 76 76 VAL N N 76 120.710 120.710 123.586 -2.876 19625
5866 1 9 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.975 -0.025 19625
5867 1 9 . 1 1 76 76 VAL C C 76 173.190 173.190 175.606 -2.416 19625
5868 1 9 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.233 -0.533 19625
5869 1 9 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.984 3.216 19625
5870 1 9 . 1 1 76 76 VAL H H 76 8.150 8.150 7.154 0.996 19625
5871 1 9 . 1 1 77 77 GLU N N 77 127.930 127.930 125.794 2.136 19625
5872 1 9 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.495 -0.175 19625
5873 1 9 . 1 1 77 77 GLU C C 77 175.850 175.850 176.006 -0.156 19625
5874 1 9 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.607 1.993 19625
5875 1 9 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.820 1.280 19625
5876 1 9 . 1 1 77 77 GLU H H 77 9.040 9.040 9.220 -0.180 19625
5877 1 9 . 1 1 78 78 THR N N 78 115.080 115.080 114.031 1.049 19625
5878 1 9 . 1 1 78 78 THR HA H 78 5.010 5.010 4.757 0.253 19625
5879 1 9 . 1 1 78 78 THR C C 78 170.340 170.340 172.009 -1.669 19625
5880 1 9 . 1 1 78 78 THR CA C 78 61.500 61.500 61.753 -0.253 19625
5881 1 9 . 1 1 78 78 THR CB C 78 72.100 72.100 71.940 0.160 19625
5882 1 9 . 1 1 78 78 THR H H 78 7.150 7.150 7.405 -0.255 19625
5883 1 9 . 1 1 79 79 LEU N N 79 130.190 130.190 124.847 5.343 19625
5884 1 9 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.911 0.199 19625
5885 1 9 . 1 1 79 79 LEU C C 79 172.640 172.640 173.956 -1.316 19625
5886 1 9 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.408 0.792 19625
5887 1 9 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.892 1.407 19625
5888 1 9 . 1 1 79 79 LEU H H 79 8.810 8.810 8.525 0.285 19625
5889 1 9 . 1 1 80 80 ILE N N 80 125.290 125.290 127.426 -2.136 19625
5890 1 9 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.023 0.867 19625
5891 1 9 . 1 1 80 80 ILE C C 80 174.260 174.260 173.824 0.436 19625
5892 1 9 . 1 1 80 80 ILE CA C 80 60.500 60.500 59.986 0.514 19625
5893 1 9 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.311 1.289 19625
5894 1 9 . 1 1 80 80 ILE H H 80 8.760 8.760 9.187 -0.427 19625
5895 1 9 . 1 1 81 81 VAL N N 81 114.530 114.530 126.345 -11.815 19625
5896 1 9 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.801 0.109 19625
5897 1 9 . 1 1 81 81 VAL C C 81 175.310 175.310 176.359 -1.049 19625
5898 1 9 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.157 -0.057 19625
5899 1 9 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.387 2.213 19625
5900 1 9 . 1 1 81 81 VAL H H 81 8.030 8.030 8.663 -0.633 19625
5901 1 9 . 1 1 82 82 LYS N N 82 122.730 122.730 123.784 -1.054 19625
5902 1 9 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.040 -0.390 19625
5903 1 9 . 1 1 82 82 LYS C C 82 174.470 174.470 175.124 -0.654 19625
5904 1 9 . 1 1 82 82 LYS CA C 82 61.500 61.500 58.809 2.691 19625
5905 1 9 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.861 1.439 19625
5906 1 9 . 1 1 82 82 LYS H H 82 9.540 9.540 9.022 0.518 19625
5907 1 9 . 1 1 83 83 ASP N N 83 108.020 108.020 110.829 -2.809 19625
5908 1 9 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.678 -0.118 19625
5909 1 9 . 1 1 83 83 ASP C C 83 175.310 175.310 176.424 -1.114 19625
5910 1 9 . 1 1 83 83 ASP CA C 83 53.800 53.800 52.756 1.044 19625
5911 1 9 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.330 2.070 19625
5912 1 9 . 1 1 83 83 ASP H H 83 7.080 7.080 7.513 -0.433 19625
5913 1 9 . 1 1 84 84 MET N N 84 120.990 120.990 118.640 2.350 19625
5914 1 9 . 1 1 84 84 MET HA H 84 4.190 4.190 4.302 -0.112 19625
5915 1 9 . 1 1 84 84 MET C C 84 177.910 177.910 177.883 0.027 19625
5916 1 9 . 1 1 84 84 MET CA C 84 59.000 59.000 56.990 2.010 19625
5917 1 9 . 1 1 84 84 MET CB C 84 32.460 32.460 31.231 1.229 19625
5918 1 9 . 1 1 84 84 MET H H 84 9.290 9.290 9.057 0.233 19625
5919 1 9 . 1 1 85 85 SER N N 85 113.930 113.930 115.928 -1.998 19625
5920 1 9 . 1 1 85 85 SER HA H 85 4.310 4.310 4.189 0.120 19625
5921 1 9 . 1 1 85 85 SER C C 85 177.010 177.010 176.487 0.523 19625
5922 1 9 . 1 1 85 85 SER CA C 85 61.700 61.700 61.192 0.508 19625
5923 1 9 . 1 1 85 85 SER CB C 85 63.900 63.900 62.861 1.039 19625
5924 1 9 . 1 1 85 85 SER H H 85 8.520 8.520 7.971 0.549 19625
5925 1 9 . 1 1 86 86 ARG N N 86 120.920 120.920 122.487 -1.567 19625
5926 1 9 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.025 -0.305 19625
5927 1 9 . 1 1 86 86 ARG C C 86 179.510 179.510 178.792 0.718 19625
5928 1 9 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.965 0.395 19625
5929 1 9 . 1 1 86 86 ARG CB C 86 33.580 33.580 29.877 3.703 19625
5930 1 9 . 1 1 86 86 ARG H H 86 7.990 7.990 8.012 -0.022 19625
5931 1 9 . 1 1 87 87 LEU N N 87 117.290 117.290 117.410 -0.120 19625
5932 1 9 . 1 1 87 87 LEU HA H 87 3.910 3.910 4.005 -0.095 19625
5933 1 9 . 1 1 87 87 LEU C C 87 177.080 177.080 176.548 0.532 19625
5934 1 9 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.763 2.337 19625
5935 1 9 . 1 1 87 87 LEU CB C 87 43.700 43.700 43.227 0.473 19625
5936 1 9 . 1 1 87 87 LEU H H 87 7.400 7.400 8.236 -0.836 19625
5937 1 9 . 1 1 88 88 GLY N N 88 102.420 102.420 103.441 -1.021 19625
5938 1 9 . 1 1 88 88 GLY C C 88 169.840 169.840 173.202 -3.362 19625
5939 1 9 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.545 1.655 19625
5940 1 9 . 1 1 88 88 GLY H H 88 7.430 7.430 7.538 -0.108 19625
5941 1 9 . 1 1 89 89 ARG N N 89 115.910 115.910 118.882 -2.972 19625
5942 1 9 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.249 -0.209 19625
5943 1 9 . 1 1 89 89 ARG C C 89 177.540 177.540 176.427 1.113 19625
5944 1 9 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.110 -0.110 19625
5945 1 9 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.448 2.162 19625
5946 1 9 . 1 1 89 89 ARG H H 89 7.160 7.160 8.580 -1.420 19625
5947 1 9 . 1 1 90 90 ASN N N 90 117.420 117.420 120.100 -2.680 19625
5948 1 9 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.642 -0.022 19625
5949 1 9 . 1 1 90 90 ASN C C 90 175.420 175.420 175.342 0.078 19625
5950 1 9 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.096 0.254 19625
5951 1 9 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.038 2.422 19625
5952 1 9 . 1 1 90 90 ASN H H 90 7.930 7.930 8.465 -0.535 19625
5953 1 9 . 1 1 91 91 TYR N N 91 126.420 126.420 124.752 1.668 19625
5954 1 9 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.213 -0.223 19625
5955 1 9 . 1 1 91 91 TYR C C 91 177.470 177.470 176.779 0.691 19625
5956 1 9 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.475 0.495 19625
5957 1 9 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.595 -0.305 19625
5958 1 9 . 1 1 91 91 TYR H H 91 8.590 8.590 8.361 0.229 19625
5959 1 9 . 1 1 92 92 LEU N N 92 121.090 121.090 120.258 0.832 19625
5960 1 9 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.931 -0.091 19625
5961 1 9 . 1 1 92 92 LEU C C 92 179.580 179.580 178.718 0.862 19625
5962 1 9 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.546 -0.046 19625
5963 1 9 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.178 1.022 19625
5964 1 9 . 1 1 92 92 LEU H H 92 7.860 7.860 8.139 -0.279 19625
5965 1 9 . 1 1 93 93 GLN N N 93 117.490 117.490 118.302 -0.812 19625
5966 1 9 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.925 0.015 19625
5967 1 9 . 1 1 93 93 GLN C C 93 178.630 178.630 178.925 -0.295 19625
5968 1 9 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.661 0.139 19625
5969 1 9 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.256 1.844 19625
5970 1 9 . 1 1 93 93 GLN H H 93 7.350 7.350 7.799 -0.449 19625
5971 1 9 . 1 1 94 94 VAL N N 94 118.580 118.580 119.521 -0.941 19625
5972 1 9 . 1 1 94 94 VAL HA H 94 3.520 3.520 3.985 -0.465 19625
5973 1 9 . 1 1 94 94 VAL C C 94 177.420 177.420 177.803 -0.383 19625
5974 1 9 . 1 1 94 94 VAL CA C 94 67.500 67.500 67.368 0.132 19625
5975 1 9 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.561 1.239 19625
5976 1 9 . 1 1 94 94 VAL H H 94 8.230 8.230 8.570 -0.340 19625
5977 1 9 . 1 1 95 95 GLY N N 95 106.450 106.450 107.331 -0.881 19625
5978 1 9 . 1 1 95 95 GLY C C 95 174.810 174.810 175.476 -0.666 19625
5979 1 9 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.740 0.060 19625
5980 1 9 . 1 1 95 95 GLY H H 95 7.760 7.760 7.762 -0.002 19625
5981 1 9 . 1 1 96 96 PHE N N 96 120.590 120.590 123.170 -2.580 19625
5982 1 9 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.879 -0.089 19625
5983 1 9 . 1 1 96 96 PHE C C 96 176.780 176.780 176.514 0.266 19625
5984 1 9 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.682 1.418 19625
5985 1 9 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.618 0.682 19625
5986 1 9 . 1 1 96 96 PHE H H 96 7.000 7.000 7.879 -0.879 19625
5987 1 9 . 1 1 97 97 TYR N N 97 116.700 116.700 117.150 -0.450 19625
5988 1 9 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.844 -0.914 19625
5989 1 9 . 1 1 97 97 TYR C C 97 175.500 175.500 177.185 -1.685 19625
5990 1 9 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.522 0.179 19625
5991 1 9 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.207 0.593 19625
5992 1 9 . 1 1 97 97 TYR H H 97 7.030 7.030 7.913 -0.883 19625
5993 1 9 . 1 1 98 98 THR N N 98 104.710 104.710 109.712 -5.002 19625
5994 1 9 . 1 1 98 98 THR HA H 98 3.390 3.390 3.464 -0.074 19625
5995 1 9 . 1 1 98 98 THR C C 98 176.830 176.830 175.649 1.181 19625
5996 1 9 . 1 1 98 98 THR CA C 98 65.200 65.200 64.893 0.307 19625
5997 1 9 . 1 1 98 98 THR CB C 98 68.800 68.800 68.430 0.370 19625
5998 1 9 . 1 1 98 98 THR H H 98 7.540 7.540 7.265 0.275 19625
5999 1 9 . 1 1 99 99 GLU N N 99 116.670 116.670 119.220 -2.550 19625
6000 1 9 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.226 -0.016 19625
6001 1 9 . 1 1 99 99 GLU C C 99 176.820 176.820 177.389 -0.569 19625
6002 1 9 . 1 1 99 99 GLU CA C 99 57.200 57.200 58.058 -0.858 19625
6003 1 9 . 1 1 99 99 GLU CB C 99 30.700 30.700 29.948 0.752 19625
6004 1 9 . 1 1 99 99 GLU H H 99 8.390 8.390 8.319 0.071 19625
6005 1 9 . 1 1 100 100 VAL N N 100 117.330 117.330 118.276 -0.946 19625
6006 1 9 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.993 -0.173 19625
6007 1 9 . 1 1 100 100 VAL C C 100 176.200 176.200 176.399 -0.199 19625
6008 1 9 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.111 1.889 19625
6009 1 9 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.817 -0.117 19625
6010 1 9 . 1 1 100 100 VAL H H 100 6.590 6.590 7.499 -0.909 19625
6011 1 9 . 1 1 101 101 LEU N N 101 120.390 120.390 121.121 -0.731 19625
6012 1 9 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.934 -0.314 19625
6013 1 9 . 1 1 101 101 LEU C C 101 177.510 177.510 179.421 -1.911 19625
6014 1 9 . 1 1 101 101 LEU CA C 101 59.700 59.700 58.037 1.663 19625
6015 1 9 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.184 1.925 19625
6016 1 9 . 1 1 101 101 LEU H H 101 7.180 7.180 7.728 -0.548 19625
6017 1 9 . 1 1 102 102 PHE N N 102 114.030 114.030 118.100 -4.070 19625
6018 1 9 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.456 -0.106 19625
6019 1 9 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.593 -0.983 19625
6020 1 9 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.278 -1.508 19625
6021 1 9 . 1 1 102 102 PHE H H 102 8.660 8.660 9.218 -0.558 19625
6022 1 9 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.116 0.114 19625
6023 1 9 . 1 1 103 103 PRO C C 103 180.710 180.710 178.968 1.742 19625
6024 1 9 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.123 0.678 19625
6025 1 9 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.129 0.531 19625
6026 1 9 . 1 1 104 104 GLN N N 104 117.110 117.110 116.724 0.386 19625
6027 1 9 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.038 -0.158 19625
6028 1 9 . 1 1 104 104 GLN C C 104 177.700 177.700 177.197 0.503 19625
6029 1 9 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.233 1.466 19625
6030 1 9 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.391 1.009 19625
6031 1 9 . 1 1 104 104 GLN H H 104 7.290 7.290 7.966 -0.676 19625
6032 1 9 . 1 1 105 105 LYS N N 105 115.380 115.380 114.243 1.137 19625
6033 1 9 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.539 -0.219 19625
6034 1 9 . 1 1 105 105 LYS C C 105 174.880 174.880 175.559 -0.679 19625
6035 1 9 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.506 -0.706 19625
6036 1 9 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.614 -0.914 19625
6037 1 9 . 1 1 105 105 LYS H H 105 7.650 7.650 7.837 -0.187 19625
6038 1 9 . 1 1 106 106 ASN N N 106 116.100 116.100 117.952 -1.852 19625
6039 1 9 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.296 -0.156 19625
6040 1 9 . 1 1 106 106 ASN C C 106 173.400 173.400 173.442 -0.042 19625
6041 1 9 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.839 1.361 19625
6042 1 9 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.579 -0.779 19625
6043 1 9 . 1 1 106 106 ASN H H 106 7.730 7.730 8.064 -0.334 19625
6044 1 9 . 1 1 107 107 VAL N N 107 119.060 119.060 121.801 -2.741 19625
6045 1 9 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.393 -0.663 19625
6046 1 9 . 1 1 107 107 VAL C C 107 175.280 175.280 175.578 -0.298 19625
6047 1 9 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.877 1.222 19625
6048 1 9 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.396 -0.196 19625
6049 1 9 . 1 1 107 107 VAL H H 107 7.970 7.970 8.325 -0.355 19625
6050 1 9 . 1 1 108 108 ARG N N 108 129.920 129.920 127.549 2.371 19625
6051 1 9 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.735 -0.565 19625
6052 1 9 . 1 1 108 108 ARG C C 108 173.020 173.020 174.869 -1.849 19625
6053 1 9 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.823 1.867 19625
6054 1 9 . 1 1 108 108 ARG CB C 108 31.100 31.100 31.241 -0.141 19625
6055 1 9 . 1 1 108 108 ARG H H 108 8.230 8.230 8.267 -0.037 19625
6056 1 9 . 1 1 109 109 PHE N N 109 129.390 129.390 124.792 4.598 19625
6057 1 9 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.953 0.157 19625
6058 1 9 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.458 -1.327 19625
6059 1 9 . 1 1 109 109 PHE CB C 109 42.890 42.890 41.162 1.728 19625
6060 1 9 . 1 1 109 109 PHE H H 109 8.550 8.550 8.840 -0.290 19625
6061 1 9 . 1 1 110 110 LEU N N 110 130.220 130.220 126.264 3.956 19625
6062 1 9 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.829 -0.739 19625
6063 1 9 . 1 1 110 110 LEU C C 110 172.360 172.360 173.910 -1.550 19625
6064 1 9 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.864 0.746 19625
6065 1 9 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.599 1.101 19625
6066 1 9 . 1 1 110 110 LEU H H 110 8.290 8.290 8.869 -0.579 19625
6067 1 9 . 1 1 111 111 ALA N N 111 123.890 123.890 130.019 -6.129 19625
6068 1 9 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.924 -0.344 19625
6069 1 9 . 1 1 111 111 ALA C C 111 177.470 177.470 177.251 0.219 19625
6070 1 9 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.965 -1.165 19625
6071 1 9 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.826 0.174 19625
6072 1 9 . 1 1 111 111 ALA H H 111 7.590 7.590 8.532 -0.942 19625
6073 1 9 . 1 1 112 112 ILE N N 112 121.690 121.690 124.858 -3.168 19625
6074 1 9 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.632 -0.492 19625
6075 1 9 . 1 1 112 112 ILE C C 112 177.350 177.350 177.582 -0.232 19625
6076 1 9 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.916 1.384 19625
6077 1 9 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.282 0.758 19625
6078 1 9 . 1 1 112 112 ILE H H 112 7.700 7.700 8.448 -0.748 19625
6079 1 9 . 1 1 113 113 ASN N N 113 116.220 116.220 116.705 -0.485 19625
6080 1 9 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.544 0.196 19625
6081 1 9 . 1 1 113 113 ASN C C 113 175.110 175.110 175.351 -0.241 19625
6082 1 9 . 1 1 113 113 ASN CA C 113 53.610 53.610 55.409 -1.799 19625
6083 1 9 . 1 1 113 113 ASN CB C 113 39.660 39.660 39.152 0.508 19625
6084 1 9 . 1 1 113 113 ASN H H 113 8.350 8.350 8.509 -0.159 19625
6085 1 9 . 1 1 114 114 ASN N N 114 118.560 118.560 116.551 2.009 19625
6086 1 9 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.873 -0.273 19625
6087 1 9 . 1 1 114 114 ASN C C 114 174.870 174.870 173.963 0.907 19625
6088 1 9 . 1 1 114 114 ASN CA C 114 54.340 54.340 52.426 1.914 19625
6089 1 9 . 1 1 114 114 ASN CB C 114 40.600 40.600 41.076 -0.476 19625
6090 1 9 . 1 1 114 114 ASN H H 114 8.110 8.110 8.121 -0.011 19625
6091 1 9 . 1 1 115 115 SER N N 115 114.600 114.600 116.551 -1.951 19625
6092 1 9 . 1 1 115 115 SER HA H 115 4.320 4.320 4.325 -0.005 19625
6093 1 9 . 1 1 115 115 SER C C 115 174.120 174.120 175.353 -1.233 19625
6094 1 9 . 1 1 115 115 SER CA C 115 59.260 59.260 58.863 0.397 19625
6095 1 9 . 1 1 115 115 SER CB C 115 64.200 64.200 63.161 1.039 19625
6096 1 9 . 1 1 115 115 SER H H 115 8.010 8.010 8.544 -0.534 19625
6097 1 9 . 1 1 116 116 ILE N N 116 121.020 121.020 126.276 -5.256 19625
6098 1 9 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.911 0.109 19625
6099 1 9 . 1 1 116 116 ILE C C 116 175.590 175.590 175.913 -0.323 19625
6100 1 9 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.240 -1.050 19625
6101 1 9 . 1 1 116 116 ILE CB C 116 39.900 39.900 37.916 1.984 19625
6102 1 9 . 1 1 116 116 ILE H H 116 7.920 7.920 8.696 -0.776 19625
6103 1 9 . 1 1 117 117 ASP N N 117 124.190 124.190 115.140 9.050 19625
6104 1 9 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.692 -0.102 19625
6105 1 9 . 1 1 117 117 ASP C C 117 174.870 174.870 175.622 -0.752 19625
6106 1 9 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.988 0.792 19625
6107 1 9 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.516 0.974 19625
6108 1 9 . 1 1 117 117 ASP H H 117 8.160 8.160 8.259 -0.099 19625
6109 1 9 . 1 1 118 118 SER N N 118 116.920 116.920 115.668 1.252 19625
6110 1 9 . 1 1 118 118 SER HA H 118 4.250 4.250 4.380 -0.130 19625
6111 1 9 . 1 1 118 118 SER C C 118 174.260 174.260 174.880 -0.620 19625
6112 1 9 . 1 1 118 118 SER CA C 118 59.770 59.770 58.650 1.120 19625
6113 1 9 . 1 1 118 118 SER CB C 118 64.500 64.500 64.128 0.372 19625
6114 1 9 . 1 1 118 118 SER H H 118 8.220 8.220 7.960 0.260 19625
6115 1 9 . 1 1 119 119 ASN N N 119 120.830 120.830 120.146 0.684 19625
6116 1 9 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.521 0.059 19625
6117 1 9 . 1 1 119 119 ASN C C 119 174.120 174.120 174.819 -0.699 19625
6118 1 9 . 1 1 119 119 ASN CA C 119 54.200 54.200 54.013 0.187 19625
6119 1 9 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.027 0.673 19625
6120 1 9 . 1 1 119 119 ASN H H 119 8.330 8.330 8.550 -0.220 19625
6121 1 10 . 1 1 2 2 SER HA H 2 4.320 4.320 4.537 -0.217 19625
6122 1 10 . 1 1 2 2 SER C C 2 174.400 174.400 174.409 -0.009 19625
6123 1 10 . 1 1 2 2 SER CA C 2 59.200 59.200 58.199 1.001 19625
6124 1 10 . 1 1 2 2 SER CB C 2 64.800 64.800 63.971 0.829 19625
6125 1 10 . 1 1 3 3 ARG N N 3 123.220 123.220 123.249 -0.029 19625
6126 1 10 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.220 0.010 19625
6127 1 10 . 1 1 3 3 ARG C C 3 176.320 176.320 176.195 0.125 19625
6128 1 10 . 1 1 3 3 ARG CA C 3 57.300 57.300 57.124 0.176 19625
6129 1 10 . 1 1 3 3 ARG CB C 3 31.600 31.600 29.648 1.952 19625
6130 1 10 . 1 1 3 3 ARG H H 3 8.590 8.590 8.478 0.112 19625
6131 1 10 . 1 1 4 4 THR N N 4 114.540 114.540 116.096 -1.556 19625
6132 1 10 . 1 1 4 4 THR HA H 4 4.270 4.270 4.472 -0.202 19625
6133 1 10 . 1 1 4 4 THR C C 4 173.880 173.880 174.738 -0.858 19625
6134 1 10 . 1 1 4 4 THR CA C 4 62.200 62.200 62.050 0.150 19625
6135 1 10 . 1 1 4 4 THR CB C 4 70.700 70.700 70.052 0.648 19625
6136 1 10 . 1 1 4 4 THR H H 4 8.090 8.090 8.153 -0.063 19625
6137 1 10 . 1 1 5 5 SER N N 5 117.410 117.410 120.249 -2.839 19625
6138 1 10 . 1 1 5 5 SER HA H 5 4.320 4.320 4.832 -0.512 19625
6139 1 10 . 1 1 5 5 SER C C 5 174.020 174.020 174.553 -0.533 19625
6140 1 10 . 1 1 5 5 SER CA C 5 58.900 58.900 57.781 1.119 19625
6141 1 10 . 1 1 5 5 SER CB C 5 64.700 64.700 64.395 0.305 19625
6142 1 10 . 1 1 5 5 SER H H 5 8.100 8.100 8.338 -0.238 19625
6143 1 10 . 1 1 6 6 ARG N N 6 122.330 122.330 126.277 -3.947 19625
6144 1 10 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.524 -0.234 19625
6145 1 10 . 1 1 6 6 ARG C C 6 176.850 176.850 175.654 1.196 19625
6146 1 10 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.227 2.173 19625
6147 1 10 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.898 2.502 19625
6148 1 10 . 1 1 6 6 ARG H H 6 8.100 8.100 8.477 -0.377 19625
6149 1 10 . 1 1 7 7 ILE N N 7 115.270 115.270 114.549 0.721 19625
6150 1 10 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.488 0.082 19625
6151 1 10 . 1 1 7 7 ILE C C 7 177.060 177.060 173.644 3.416 19625
6152 1 10 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.469 1.761 19625
6153 1 10 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.535 0.645 19625
6154 1 10 . 1 1 7 7 ILE H H 7 8.550 8.550 8.588 -0.038 19625
6155 1 10 . 1 1 8 8 THR N N 8 120.840 120.840 117.226 3.614 19625
6156 1 10 . 1 1 8 8 THR HA H 8 4.420 4.420 4.490 -0.070 19625
6157 1 10 . 1 1 8 8 THR C C 8 172.530 172.530 173.014 -0.484 19625
6158 1 10 . 1 1 8 8 THR CA C 8 63.100 63.100 61.718 1.381 19625
6159 1 10 . 1 1 8 8 THR CB C 8 69.000 69.000 70.875 -1.875 19625
6160 1 10 . 1 1 8 8 THR H H 8 8.030 8.030 7.871 0.159 19625
6161 1 10 . 1 1 9 9 ALA N N 9 129.200 129.200 128.601 0.599 19625
6162 1 10 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.038 -0.258 19625
6163 1 10 . 1 1 9 9 ALA C C 9 173.980 173.980 174.749 -0.769 19625
6164 1 10 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.499 0.801 19625
6165 1 10 . 1 1 9 9 ALA CB C 9 23.400 23.400 20.738 2.663 19625
6166 1 10 . 1 1 9 9 ALA H H 9 9.210 9.210 9.117 0.093 19625
6167 1 10 . 1 1 10 10 LEU N N 10 124.830 124.830 128.163 -3.333 19625
6168 1 10 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.040 -0.210 19625
6169 1 10 . 1 1 10 10 LEU C C 10 174.400 174.400 174.541 -0.141 19625
6170 1 10 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.741 0.059 19625
6171 1 10 . 1 1 10 10 LEU CB C 10 41.500 41.500 43.896 -2.396 19625
6172 1 10 . 1 1 10 10 LEU H H 10 8.720 8.720 8.926 -0.206 19625
6173 1 10 . 1 1 11 11 TYR N N 11 122.470 122.470 128.219 -5.749 19625
6174 1 10 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.497 0.333 19625
6175 1 10 . 1 1 11 11 TYR C C 11 174.120 174.120 173.248 0.872 19625
6176 1 10 . 1 1 11 11 TYR CA C 11 57.100 57.100 56.060 1.040 19625
6177 1 10 . 1 1 11 11 TYR CB C 11 41.500 41.500 42.036 -0.536 19625
6178 1 10 . 1 1 11 11 TYR H H 11 8.000 8.000 8.663 -0.663 19625
6179 1 10 . 1 1 12 12 GLU N N 12 121.360 121.360 126.040 -4.680 19625
6180 1 10 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.776 -0.576 19625
6181 1 10 . 1 1 12 12 GLU C C 12 172.720 172.720 174.010 -1.290 19625
6182 1 10 . 1 1 12 12 GLU CA C 12 55.700 55.700 55.069 0.631 19625
6183 1 10 . 1 1 12 12 GLU CB C 12 30.400 30.400 34.478 -4.078 19625
6184 1 10 . 1 1 12 12 GLU H H 12 7.870 7.870 8.253 -0.383 19625
6185 1 10 . 1 1 13 13 ARG N N 13 118.180 118.180 120.388 -2.208 19625
6186 1 10 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.708 0.162 19625
6187 1 10 . 1 1 13 13 ARG C C 13 174.680 174.680 173.339 1.341 19625
6188 1 10 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.447 0.353 19625
6189 1 10 . 1 1 13 13 ARG CB C 13 35.360 35.360 33.253 2.107 19625
6190 1 10 . 1 1 13 13 ARG H H 13 7.290 7.290 8.366 -1.076 19625
6191 1 10 . 1 1 14 14 LEU N N 14 131.070 131.070 126.676 4.394 19625
6192 1 10 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.837 -0.447 19625
6193 1 10 . 1 1 14 14 LEU C C 14 172.930 172.930 174.761 -1.831 19625
6194 1 10 . 1 1 14 14 LEU CA C 14 56.400 56.400 54.033 2.367 19625
6195 1 10 . 1 1 14 14 LEU CB C 14 47.800 47.800 45.380 2.420 19625
6196 1 10 . 1 1 14 14 LEU H H 14 8.010 8.010 8.711 -0.701 19625
6197 1 10 . 1 1 15 15 SER N N 15 118.940 118.940 119.462 -0.522 19625
6198 1 10 . 1 1 15 15 SER HA H 15 4.520 4.520 4.592 -0.072 19625
6199 1 10 . 1 1 15 15 SER C C 15 175.380 175.380 174.980 0.400 19625
6200 1 10 . 1 1 15 15 SER CA C 15 58.300 58.300 57.276 1.024 19625
6201 1 10 . 1 1 15 15 SER CB C 15 65.300 65.300 64.236 1.064 19625
6202 1 10 . 1 1 15 15 SER H H 15 8.580 8.580 8.576 0.004 19625
6203 1 10 . 1 1 16 16 ARG N N 16 123.190 123.190 127.260 -4.070 19625
6204 1 10 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.278 -0.318 19625
6205 1 10 . 1 1 16 16 ARG C C 16 177.410 177.410 176.963 0.447 19625
6206 1 10 . 1 1 16 16 ARG CA C 16 59.500 59.500 56.622 2.878 19625
6207 1 10 . 1 1 16 16 ARG CB C 16 30.400 30.400 29.903 0.497 19625
6208 1 10 . 1 1 16 16 ARG H H 16 8.980 8.980 8.954 0.026 19625
6209 1 10 . 1 1 17 17 ASP N N 17 115.110 115.110 118.609 -3.499 19625
6210 1 10 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.607 -0.307 19625
6211 1 10 . 1 1 17 17 ASP C C 17 176.090 176.090 176.441 -0.351 19625
6212 1 10 . 1 1 17 17 ASP CA C 17 54.600 54.600 55.465 -0.865 19625
6213 1 10 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.989 -0.889 19625
6214 1 10 . 1 1 17 17 ASP H H 17 8.160 8.160 7.784 0.377 19625
6215 1 10 . 1 1 18 18 ASP N N 18 119.390 119.390 120.760 -1.370 19625
6216 1 10 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.686 -0.386 19625
6217 1 10 . 1 1 18 18 ASP C C 18 175.750 175.750 175.916 -0.166 19625
6218 1 10 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.336 1.964 19625
6219 1 10 . 1 1 18 18 ASP CB C 18 42.740 42.740 41.852 0.888 19625
6220 1 10 . 1 1 18 18 ASP H H 18 7.240 7.240 7.556 -0.316 19625
6221 1 10 . 1 1 19 19 ASP N N 19 117.850 117.850 119.355 -1.505 19625
6222 1 10 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.593 -0.363 19625
6223 1 10 . 1 1 19 19 ASP C C 19 175.300 175.300 177.086 -1.786 19625
6224 1 10 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.583 1.447 19625
6225 1 10 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.947 0.113 19625
6226 1 10 . 1 1 19 19 ASP H H 19 8.000 8.000 8.720 -0.720 19625
6227 1 10 . 1 1 20 20 LEU N N 20 120.230 120.230 118.236 1.994 19625
6228 1 10 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.394 -0.014 19625
6229 1 10 . 1 1 20 20 LEU C C 20 176.830 176.830 176.751 0.079 19625
6230 1 10 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.001 0.099 19625
6231 1 10 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.514 0.966 19625
6232 1 10 . 1 1 20 20 LEU H H 20 7.960 7.960 7.566 0.394 19625
6233 1 10 . 1 1 21 21 THR N N 21 113.040 113.040 108.600 4.440 19625
6234 1 10 . 1 1 21 21 THR HA H 21 4.290 4.290 3.907 0.383 19625
6235 1 10 . 1 1 21 21 THR C C 21 174.900 174.900 174.391 0.509 19625
6236 1 10 . 1 1 21 21 THR CA C 21 61.970 61.970 62.885 -0.915 19625
6237 1 10 . 1 1 21 21 THR CB C 21 71.200 71.200 68.740 2.460 19625
6238 1 10 . 1 1 21 21 THR H H 21 8.070 8.070 7.722 0.348 19625
6239 1 10 . 1 1 22 22 GLY N N 22 110.100 110.100 113.245 -3.145 19625
6240 1 10 . 1 1 22 22 GLY C C 22 175.110 175.110 173.822 1.288 19625
6241 1 10 . 1 1 22 22 GLY CA C 22 45.970 45.970 44.917 1.053 19625
6242 1 10 . 1 1 22 22 GLY H H 22 8.230 8.230 7.678 0.552 19625
6243 1 10 . 1 1 23 23 GLU N N 23 121.940 121.940 119.896 2.044 19625
6244 1 10 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.238 -0.238 19625
6245 1 10 . 1 1 23 23 GLU C C 23 178.200 178.200 177.278 0.922 19625
6246 1 10 . 1 1 23 23 GLU CA C 23 58.900 58.900 58.327 0.573 19625
6247 1 10 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.553 1.047 19625
6248 1 10 . 1 1 23 23 GLU H H 23 8.550 8.550 8.651 -0.101 19625
6249 1 10 . 1 1 24 24 SER N N 24 114.930 114.930 110.658 4.272 19625
6250 1 10 . 1 1 24 24 SER HA H 24 3.990 3.990 4.320 -0.330 19625
6251 1 10 . 1 1 24 24 SER C C 24 174.000 174.000 173.170 0.830 19625
6252 1 10 . 1 1 24 24 SER CA C 24 61.610 61.610 58.438 3.172 19625
6253 1 10 . 1 1 24 24 SER CB C 24 63.600 63.600 63.239 0.361 19625
6254 1 10 . 1 1 24 24 SER H H 24 8.290 8.290 7.997 0.293 19625
6255 1 10 . 1 1 25 25 ASN N N 25 117.820 117.820 118.618 -0.798 19625
6256 1 10 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.903 -0.173 19625
6257 1 10 . 1 1 25 25 ASN C C 25 174.380 174.380 174.022 0.358 19625
6258 1 10 . 1 1 25 25 ASN CA C 25 53.100 53.100 53.213 -0.113 19625
6259 1 10 . 1 1 25 25 ASN CB C 25 40.800 40.800 40.201 0.599 19625
6260 1 10 . 1 1 25 25 ASN H H 25 7.620 7.620 7.661 -0.041 19625
6261 1 10 . 1 1 26 26 SER N N 26 115.050 115.050 116.479 -1.429 19625
6262 1 10 . 1 1 26 26 SER HA H 26 4.140 4.140 4.475 -0.335 19625
6263 1 10 . 1 1 26 26 SER C C 26 174.660 174.660 173.851 0.809 19625
6264 1 10 . 1 1 26 26 SER CA C 26 58.500 58.500 58.360 0.140 19625
6265 1 10 . 1 1 26 26 SER CB C 26 65.000 65.000 64.358 0.642 19625
6266 1 10 . 1 1 26 26 SER H H 26 7.510 7.510 8.514 -1.004 19625
6267 1 10 . 1 1 27 27 ILE N N 27 124.200 124.200 120.053 4.147 19625
6268 1 10 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.554 -0.094 19625
6269 1 10 . 1 1 27 27 ILE C C 27 177.540 177.540 176.911 0.629 19625
6270 1 10 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.841 -1.401 19625
6271 1 10 . 1 1 27 27 ILE CB C 27 36.400 36.400 35.844 0.556 19625
6272 1 10 . 1 1 27 27 ILE H H 27 8.960 8.960 8.162 0.798 19625
6273 1 10 . 1 1 28 28 THR N N 28 114.810 114.810 116.368 -1.558 19625
6274 1 10 . 1 1 28 28 THR HA H 28 3.510 3.510 3.934 -0.424 19625
6275 1 10 . 1 1 28 28 THR C C 28 176.210 176.210 176.165 0.045 19625
6276 1 10 . 1 1 28 28 THR CA C 28 67.300 67.300 66.420 0.880 19625
6277 1 10 . 1 1 28 28 THR CB C 28 69.240 69.240 68.532 0.708 19625
6278 1 10 . 1 1 28 28 THR H H 28 8.030 8.030 8.185 -0.155 19625
6279 1 10 . 1 1 29 29 ASN N N 29 120.670 120.670 118.650 2.020 19625
6280 1 10 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.577 -0.177 19625
6281 1 10 . 1 1 29 29 ASN C C 29 175.110 175.110 177.690 -2.580 19625
6282 1 10 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.402 0.698 19625
6283 1 10 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.181 0.519 19625
6284 1 10 . 1 1 29 29 ASN H H 29 7.640 7.640 7.565 0.075 19625
6285 1 10 . 1 1 30 30 GLN N N 30 122.180 122.180 119.252 2.928 19625
6286 1 10 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.032 -0.182 19625
6287 1 10 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.915 2.595 19625
6288 1 10 . 1 1 30 30 GLN CB C 30 32.060 32.060 28.170 3.890 19625
6289 1 10 . 1 1 30 30 GLN H H 30 8.620 8.620 7.788 0.832 19625
6290 1 10 . 1 1 31 31 LYS N N 31 116.860 116.860 119.533 -2.673 19625
6291 1 10 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.159 -0.329 19625
6292 1 10 . 1 1 31 31 LYS C C 31 178.370 178.370 179.274 -0.904 19625
6293 1 10 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.788 1.512 19625
6294 1 10 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.126 1.454 19625
6295 1 10 . 1 1 31 31 LYS H H 31 8.230 8.230 8.283 -0.053 19625
6296 1 10 . 1 1 32 32 LYS N N 32 117.720 117.720 118.982 -1.262 19625
6297 1 10 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.034 -0.184 19625
6298 1 10 . 1 1 32 32 LYS C C 32 177.840 177.840 178.968 -1.128 19625
6299 1 10 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.478 0.722 19625
6300 1 10 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.320 1.180 19625
6301 1 10 . 1 1 32 32 LYS H H 32 7.470 7.470 7.758 -0.288 19625
6302 1 10 . 1 1 33 33 TYR N N 33 120.230 120.230 121.323 -1.093 19625
6303 1 10 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.148 -0.008 19625
6304 1 10 . 1 1 33 33 TYR C C 33 178.990 178.990 177.989 1.001 19625
6305 1 10 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.036 -0.136 19625
6306 1 10 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.494 1.756 19625
6307 1 10 . 1 1 33 33 TYR H H 33 8.210 8.210 7.730 0.480 19625
6308 1 10 . 1 1 34 34 LEU N N 34 117.680 117.680 118.185 -0.505 19625
6309 1 10 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.967 -0.187 19625
6310 1 10 . 1 1 34 34 LEU C C 34 178.370 178.370 179.162 -0.792 19625
6311 1 10 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.384 1.616 19625
6312 1 10 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.322 2.678 19625
6313 1 10 . 1 1 34 34 LEU H H 34 8.270 8.270 8.105 0.165 19625
6314 1 10 . 1 1 35 35 GLU N N 35 120.040 120.040 120.538 -0.498 19625
6315 1 10 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.981 -0.381 19625
6316 1 10 . 1 1 35 35 GLU C C 35 178.480 178.480 178.767 -0.287 19625
6317 1 10 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.474 1.026 19625
6318 1 10 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.545 0.855 19625
6319 1 10 . 1 1 35 35 GLU H H 35 8.490 8.490 8.258 0.232 19625
6320 1 10 . 1 1 36 36 ASP N N 36 119.540 119.540 118.918 0.622 19625
6321 1 10 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.348 -0.148 19625
6322 1 10 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.957 0.443 19625
6323 1 10 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.830 0.570 19625
6324 1 10 . 1 1 36 36 ASP H H 36 8.410 8.410 8.392 0.018 19625
6325 1 10 . 1 1 37 37 TYR N N 37 120.120 120.120 119.915 0.205 19625
6326 1 10 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.184 -0.604 19625
6327 1 10 . 1 1 37 37 TYR C C 37 178.270 178.270 176.753 1.517 19625
6328 1 10 . 1 1 37 37 TYR CA C 37 63.000 63.000 60.963 2.037 19625
6329 1 10 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.662 0.998 19625
6330 1 10 . 1 1 37 37 TYR H H 37 7.560 7.560 7.316 0.244 19625
6331 1 10 . 1 1 38 38 ALA N N 38 122.290 122.290 121.112 1.178 19625
6332 1 10 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.298 -0.378 19625
6333 1 10 . 1 1 38 38 ALA C C 38 178.770 178.770 179.820 -1.050 19625
6334 1 10 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.477 0.623 19625
6335 1 10 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.404 0.496 19625
6336 1 10 . 1 1 38 38 ALA H H 38 8.740 8.740 9.044 -0.304 19625
6337 1 10 . 1 1 39 39 ARG N N 39 117.070 117.070 116.910 0.160 19625
6338 1 10 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.083 -0.143 19625
6339 1 10 . 1 1 39 39 ARG C C 39 180.550 180.550 178.236 2.314 19625
6340 1 10 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.261 1.939 19625
6341 1 10 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.030 0.570 19625
6342 1 10 . 1 1 39 39 ARG H H 39 8.390 8.390 8.400 -0.010 19625
6343 1 10 . 1 1 40 40 ARG N N 40 118.990 118.990 118.540 0.450 19625
6344 1 10 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.073 -0.223 19625
6345 1 10 . 1 1 40 40 ARG C C 40 177.010 177.010 177.623 -0.613 19625
6346 1 10 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.141 1.359 19625
6347 1 10 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.624 1.076 19625
6348 1 10 . 1 1 40 40 ARG H H 40 8.030 8.030 7.748 0.282 19625
6349 1 10 . 1 1 41 41 ASN N N 41 113.570 113.570 115.822 -2.252 19625
6350 1 10 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.462 -0.142 19625
6351 1 10 . 1 1 41 41 ASN C C 41 173.550 173.550 175.358 -1.808 19625
6352 1 10 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.896 0.504 19625
6353 1 10 . 1 1 41 41 ASN CB C 41 40.700 40.700 40.143 0.557 19625
6354 1 10 . 1 1 41 41 ASN H H 41 7.020 7.020 7.939 -0.919 19625
6355 1 10 . 1 1 42 42 GLY N N 42 106.670 106.670 108.138 -1.468 19625
6356 1 10 . 1 1 42 42 GLY C C 42 174.120 174.120 173.374 0.746 19625
6357 1 10 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.659 2.641 19625
6358 1 10 . 1 1 42 42 GLY H H 42 7.230 7.230 7.966 -0.736 19625
6359 1 10 . 1 1 43 43 PHE N N 43 119.360 119.360 119.725 -0.365 19625
6360 1 10 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.701 -0.361 19625
6361 1 10 . 1 1 43 43 PHE C C 43 174.900 174.900 175.360 -0.460 19625
6362 1 10 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.998 2.002 19625
6363 1 10 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.584 -1.083 19625
6364 1 10 . 1 1 43 43 PHE H H 43 7.870 7.870 8.216 -0.346 19625
6365 1 10 . 1 1 44 44 GLU N N 44 119.760 119.760 121.845 -2.085 19625
6366 1 10 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.542 -0.172 19625
6367 1 10 . 1 1 44 44 GLU C C 44 175.870 175.870 176.315 -0.445 19625
6368 1 10 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.368 1.142 19625
6369 1 10 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.572 2.128 19625
6370 1 10 . 1 1 44 44 GLU H H 44 8.510 8.510 8.768 -0.258 19625
6371 1 10 . 1 1 45 45 ASN N N 45 118.280 118.280 115.416 2.864 19625
6372 1 10 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.360 -0.200 19625
6373 1 10 . 1 1 45 45 ASN C C 45 174.730 174.730 174.709 0.021 19625
6374 1 10 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.296 -0.096 19625
6375 1 10 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.834 0.866 19625
6376 1 10 . 1 1 45 45 ASN H H 45 8.710 8.710 8.817 -0.107 19625
6377 1 10 . 1 1 46 46 ILE N N 46 117.440 117.440 119.273 -1.833 19625
6378 1 10 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.798 0.582 19625
6379 1 10 . 1 1 46 46 ILE C C 46 177.370 177.370 175.529 1.841 19625
6380 1 10 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.429 -0.129 19625
6381 1 10 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.183 3.717 19625
6382 1 10 . 1 1 46 46 ILE H H 46 7.840 7.840 8.185 -0.345 19625
6383 1 10 . 1 1 47 47 ARG N N 47 126.600 126.600 128.332 -1.732 19625
6384 1 10 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.332 -0.082 19625
6385 1 10 . 1 1 47 47 ARG C C 47 173.900 173.900 174.678 -0.778 19625
6386 1 10 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.465 1.435 19625
6387 1 10 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.479 3.621 19625
6388 1 10 . 1 1 47 47 ARG H H 47 8.440 8.440 7.943 0.497 19625
6389 1 10 . 1 1 48 48 HIS N N 48 122.600 122.600 123.997 -1.397 19625
6390 1 10 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.866 0.314 19625
6391 1 10 . 1 1 48 48 HIS C C 48 175.370 175.370 174.857 0.513 19625
6392 1 10 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.217 2.283 19625
6393 1 10 . 1 1 48 48 HIS CB C 48 32.500 32.500 29.985 2.515 19625
6394 1 10 . 1 1 48 48 HIS H H 48 8.530 8.530 8.614 -0.084 19625
6395 1 10 . 1 1 49 49 PHE N N 49 124.090 124.090 126.402 -2.312 19625
6396 1 10 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.734 -0.254 19625
6397 1 10 . 1 1 49 49 PHE C C 49 173.760 173.760 174.887 -1.127 19625
6398 1 10 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.588 1.812 19625
6399 1 10 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.757 3.743 19625
6400 1 10 . 1 1 49 49 PHE H H 49 9.340 9.340 9.414 -0.074 19625
6401 1 10 . 1 1 50 50 THR N N 50 117.900 117.900 118.359 -0.459 19625
6402 1 10 . 1 1 50 50 THR HA H 50 4.720 4.720 4.266 0.454 19625
6403 1 10 . 1 1 50 50 THR C C 50 172.640 172.640 173.727 -1.087 19625
6404 1 10 . 1 1 50 50 THR CA C 50 63.200 63.200 62.531 0.669 19625
6405 1 10 . 1 1 50 50 THR CB C 50 72.300 72.300 70.159 2.141 19625
6406 1 10 . 1 1 50 50 THR H H 50 8.530 8.530 8.566 -0.036 19625
6407 1 10 . 1 1 51 51 ASP N N 51 127.240 127.240 122.295 4.945 19625
6408 1 10 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.484 0.786 19625
6409 1 10 . 1 1 51 51 ASP C C 51 173.530 173.530 174.075 -0.545 19625
6410 1 10 . 1 1 51 51 ASP CA C 51 55.000 55.000 53.190 1.810 19625
6411 1 10 . 1 1 51 51 ASP CB C 51 44.300 44.300 43.003 1.297 19625
6412 1 10 . 1 1 51 51 ASP H H 51 8.560 8.560 8.358 0.202 19625
6413 1 10 . 1 1 52 52 ASP N N 52 125.700 125.700 122.168 3.532 19625
6414 1 10 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.420 0.090 19625
6415 1 10 . 1 1 52 52 ASP C C 52 175.090 175.090 175.731 -0.641 19625
6416 1 10 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.145 0.705 19625
6417 1 10 . 1 1 52 52 ASP CB C 52 42.100 42.100 41.963 0.137 19625
6418 1 10 . 1 1 52 52 ASP H H 52 9.210 9.210 6.737 2.473 19625
6419 1 10 . 1 1 53 53 GLY N N 53 113.640 113.640 112.345 1.295 19625
6420 1 10 . 1 1 53 53 GLY C C 53 173.950 173.950 174.798 -0.848 19625
6421 1 10 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.802 0.798 19625
6422 1 10 . 1 1 53 53 GLY H H 53 8.660 8.660 8.276 0.384 19625
6423 1 10 . 1 1 54 54 PHE N N 54 116.490 116.490 120.482 -3.992 19625
6424 1 10 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.673 -0.193 19625
6425 1 10 . 1 1 54 54 PHE C C 54 174.240 174.240 176.386 -2.146 19625
6426 1 10 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.130 2.070 19625
6427 1 10 . 1 1 54 54 PHE CB C 54 42.900 42.900 38.764 4.136 19625
6428 1 10 . 1 1 54 54 PHE H H 54 6.780 6.780 8.060 -1.280 19625
6429 1 10 . 1 1 55 55 SER N N 55 118.160 118.160 119.794 -1.634 19625
6430 1 10 . 1 1 55 55 SER HA H 55 4.190 4.190 4.650 -0.460 19625
6431 1 10 . 1 1 55 55 SER C C 55 175.490 175.490 175.511 -0.021 19625
6432 1 10 . 1 1 55 55 SER CA C 55 59.000 59.000 57.998 1.002 19625
6433 1 10 . 1 1 55 55 SER CB C 55 63.600 63.600 64.857 -1.257 19625
6434 1 10 . 1 1 55 55 SER H H 55 8.620 8.620 8.842 -0.222 19625
6435 1 10 . 1 1 56 56 GLY N N 56 113.640 113.640 110.474 3.166 19625
6436 1 10 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.372 0.428 19625
6437 1 10 . 1 1 56 56 GLY H H 56 8.990 8.990 8.762 0.228 19625
6438 1 10 . 1 1 57 57 VAL N N 57 118.020 118.020 116.536 1.484 19625
6439 1 10 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.240 -0.620 19625
6440 1 10 . 1 1 57 57 VAL C C 57 173.800 173.800 176.272 -2.472 19625
6441 1 10 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.450 3.100 19625
6442 1 10 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.456 0.154 19625
6443 1 10 . 1 1 57 57 VAL H H 57 8.250 8.250 7.656 0.594 19625
6444 1 10 . 1 1 58 58 ASN N N 58 112.780 112.780 116.519 -3.739 19625
6445 1 10 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.128 0.352 19625
6446 1 10 . 1 1 58 58 ASN C C 58 174.310 174.310 174.659 -0.349 19625
6447 1 10 . 1 1 58 58 ASN CA C 58 52.520 52.520 55.821 -3.301 19625
6448 1 10 . 1 1 58 58 ASN CB C 58 41.900 41.900 37.238 4.662 19625
6449 1 10 . 1 1 58 58 ASN H H 58 6.830 6.830 7.990 -1.160 19625
6450 1 10 . 1 1 59 59 PHE N N 59 118.570 118.570 120.538 -1.968 19625
6451 1 10 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.901 0.039 19625
6452 1 10 . 1 1 59 59 PHE C C 59 175.310 175.310 174.725 0.585 19625
6453 1 10 . 1 1 59 59 PHE CA C 59 59.300 59.300 55.989 3.311 19625
6454 1 10 . 1 1 59 59 PHE CB C 59 38.600 38.600 39.500 -0.900 19625
6455 1 10 . 1 1 59 59 PHE H H 59 8.950 8.950 7.999 0.951 19625
6456 1 10 . 1 1 60 60 ASN N N 60 124.690 124.690 116.936 7.754 19625
6457 1 10 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.193 0.537 19625
6458 1 10 . 1 1 60 60 ASN C C 60 172.860 172.860 172.975 -0.115 19625
6459 1 10 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.391 -0.391 19625
6460 1 10 . 1 1 60 60 ASN CB C 60 37.100 37.100 38.082 -0.982 19625
6461 1 10 . 1 1 60 60 ASN H H 60 8.620 8.620 7.278 1.342 19625
6462 1 10 . 1 1 61 61 ARG N N 61 119.260 119.260 119.042 0.218 19625
6463 1 10 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.626 -0.226 19625
6464 1 10 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.593 -3.003 19625
6465 1 10 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.538 1.522 19625
6466 1 10 . 1 1 61 61 ARG H H 61 7.440 7.440 7.789 -0.349 19625
6467 1 10 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.380 -0.230 19625
6468 1 10 . 1 1 62 62 PRO C C 62 179.790 179.790 178.650 1.140 19625
6469 1 10 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.180 0.020 19625
6470 1 10 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.051 0.849 19625
6471 1 10 . 1 1 63 63 GLY N N 63 117.020 117.020 106.109 10.911 19625
6472 1 10 . 1 1 63 63 GLY C C 63 176.580 176.580 176.327 0.253 19625
6473 1 10 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.124 0.576 19625
6474 1 10 . 1 1 63 63 GLY H H 63 10.740 10.740 9.130 1.610 19625
6475 1 10 . 1 1 64 64 PHE N N 64 125.390 125.390 122.716 2.674 19625
6476 1 10 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.488 -0.928 19625
6477 1 10 . 1 1 64 64 PHE C C 64 176.330 176.330 176.665 -0.335 19625
6478 1 10 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.815 3.485 19625
6479 1 10 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.997 1.603 19625
6480 1 10 . 1 1 64 64 PHE H H 64 9.180 9.180 8.079 1.101 19625
6481 1 10 . 1 1 65 65 GLN N N 65 115.560 115.560 118.663 -3.103 19625
6482 1 10 . 1 1 65 65 GLN HA H 65 3.690 3.690 4.076 -0.386 19625
6483 1 10 . 1 1 65 65 GLN C C 65 179.240 179.240 178.859 0.381 19625
6484 1 10 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.171 0.929 19625
6485 1 10 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.349 0.051 19625
6486 1 10 . 1 1 65 65 GLN H H 65 8.480 8.480 9.097 -0.617 19625
6487 1 10 . 1 1 66 66 SER N N 66 116.700 116.700 116.316 0.384 19625
6488 1 10 . 1 1 66 66 SER HA H 66 4.080 4.080 4.348 -0.268 19625
6489 1 10 . 1 1 66 66 SER C C 66 175.920 175.920 176.157 -0.237 19625
6490 1 10 . 1 1 66 66 SER CA C 66 62.930 62.930 61.972 0.958 19625
6491 1 10 . 1 1 66 66 SER CB C 66 63.880 63.880 63.242 0.638 19625
6492 1 10 . 1 1 66 66 SER H H 66 8.010 8.010 7.737 0.273 19625
6493 1 10 . 1 1 67 67 LEU N N 67 124.100 124.100 122.884 1.216 19625
6494 1 10 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.378 0.442 19625
6495 1 10 . 1 1 67 67 LEU C C 67 177.790 177.790 178.022 -0.232 19625
6496 1 10 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.239 1.161 19625
6497 1 10 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.703 0.397 19625
6498 1 10 . 1 1 67 67 LEU H H 67 7.830 7.830 7.565 0.265 19625
6499 1 10 . 1 1 68 68 ILE N N 68 118.610 118.610 118.527 0.083 19625
6500 1 10 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.522 -0.282 19625
6501 1 10 . 1 1 68 68 ILE C C 68 177.730 177.730 177.844 -0.114 19625
6502 1 10 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.888 -1.788 19625
6503 1 10 . 1 1 68 68 ILE CB C 68 35.100 35.100 36.373 -1.273 19625
6504 1 10 . 1 1 68 68 ILE H H 68 8.030 8.030 8.456 -0.426 19625
6505 1 10 . 1 1 69 69 LYS N N 69 120.680 120.680 121.152 -0.472 19625
6506 1 10 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.070 -0.170 19625
6507 1 10 . 1 1 69 69 LYS C C 69 180.050 180.050 178.838 1.212 19625
6508 1 10 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.440 1.360 19625
6509 1 10 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.864 0.736 19625
6510 1 10 . 1 1 69 69 LYS H H 69 7.500 7.500 8.226 -0.726 19625
6511 1 10 . 1 1 70 70 GLU N N 70 118.700 118.700 118.046 0.654 19625
6512 1 10 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.139 -0.079 19625
6513 1 10 . 1 1 70 70 GLU C C 70 178.860 178.860 178.749 0.111 19625
6514 1 10 . 1 1 70 70 GLU CA C 70 59.500 59.500 59.255 0.245 19625
6515 1 10 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.571 0.129 19625
6516 1 10 . 1 1 70 70 GLU H H 70 7.300 7.300 7.845 -0.545 19625
6517 1 10 . 1 1 71 71 VAL N N 71 121.570 121.570 119.431 2.139 19625
6518 1 10 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.543 -0.063 19625
6519 1 10 . 1 1 71 71 VAL C C 71 180.380 180.380 178.514 1.866 19625
6520 1 10 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.438 -0.338 19625
6521 1 10 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.120 1.080 19625
6522 1 10 . 1 1 71 71 VAL H H 71 8.380 8.380 7.482 0.898 19625
6523 1 10 . 1 1 72 72 GLU N N 72 120.090 120.090 120.970 -0.880 19625
6524 1 10 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.047 -0.487 19625
6525 1 10 . 1 1 72 72 GLU C C 72 177.470 177.470 178.178 -0.708 19625
6526 1 10 . 1 1 72 72 GLU CA C 72 60.800 60.800 59.096 1.704 19625
6527 1 10 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.027 1.413 19625
6528 1 10 . 1 1 72 72 GLU H H 72 9.010 9.010 8.827 0.183 19625
6529 1 10 . 1 1 73 73 ALA N N 73 118.560 118.560 119.992 -1.432 19625
6530 1 10 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.331 -0.211 19625
6531 1 10 . 1 1 73 73 ALA C C 73 177.350 177.350 177.716 -0.366 19625
6532 1 10 . 1 1 73 73 ALA CA C 73 53.400 53.400 51.467 1.933 19625
6533 1 10 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.497 1.503 19625
6534 1 10 . 1 1 73 73 ALA H H 73 7.320 7.320 7.545 -0.225 19625
6535 1 10 . 1 1 74 74 GLY N N 74 105.060 105.060 107.875 -2.815 19625
6536 1 10 . 1 1 74 74 GLY C C 74 176.280 176.280 174.409 1.871 19625
6537 1 10 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.914 0.586 19625
6538 1 10 . 1 1 74 74 GLY H H 74 7.690 7.690 7.605 0.085 19625
6539 1 10 . 1 1 75 75 ASN N N 75 115.690 115.690 116.762 -1.072 19625
6540 1 10 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.753 -0.053 19625
6541 1 10 . 1 1 75 75 ASN C C 75 174.100 174.100 175.435 -1.335 19625
6542 1 10 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.583 0.817 19625
6543 1 10 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.577 0.023 19625
6544 1 10 . 1 1 75 75 ASN H H 75 7.710 7.710 8.533 -0.823 19625
6545 1 10 . 1 1 76 76 VAL N N 76 120.710 120.710 122.914 -2.204 19625
6546 1 10 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.918 0.032 19625
6547 1 10 . 1 1 76 76 VAL C C 76 173.190 173.190 175.949 -2.759 19625
6548 1 10 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.680 -0.980 19625
6549 1 10 . 1 1 76 76 VAL CB C 76 34.200 34.200 31.713 2.487 19625
6550 1 10 . 1 1 76 76 VAL H H 76 8.150 8.150 7.216 0.934 19625
6551 1 10 . 1 1 77 77 GLU N N 77 127.930 127.930 127.059 0.871 19625
6552 1 10 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.625 -0.305 19625
6553 1 10 . 1 1 77 77 GLU C C 77 175.850 175.850 175.892 -0.042 19625
6554 1 10 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.296 2.304 19625
6555 1 10 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.799 1.301 19625
6556 1 10 . 1 1 77 77 GLU H H 77 9.040 9.040 9.190 -0.150 19625
6557 1 10 . 1 1 78 78 THR N N 78 115.080 115.080 112.643 2.437 19625
6558 1 10 . 1 1 78 78 THR HA H 78 5.010 5.010 4.608 0.402 19625
6559 1 10 . 1 1 78 78 THR C C 78 170.340 170.340 171.856 -1.516 19625
6560 1 10 . 1 1 78 78 THR CA C 78 61.500 61.500 61.438 0.062 19625
6561 1 10 . 1 1 78 78 THR CB C 78 72.100 72.100 71.648 0.452 19625
6562 1 10 . 1 1 78 78 THR H H 78 7.150 7.150 7.327 -0.177 19625
6563 1 10 . 1 1 79 79 LEU N N 79 130.190 130.190 124.899 5.291 19625
6564 1 10 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.921 0.189 19625
6565 1 10 . 1 1 79 79 LEU C C 79 172.640 172.640 174.001 -1.361 19625
6566 1 10 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.229 0.971 19625
6567 1 10 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.641 1.659 19625
6568 1 10 . 1 1 79 79 LEU H H 79 8.810 8.810 8.466 0.344 19625
6569 1 10 . 1 1 80 80 ILE N N 80 125.290 125.290 127.260 -1.970 19625
6570 1 10 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.057 0.833 19625
6571 1 10 . 1 1 80 80 ILE C C 80 174.260 174.260 173.843 0.417 19625
6572 1 10 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.047 0.453 19625
6573 1 10 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.836 0.764 19625
6574 1 10 . 1 1 80 80 ILE H H 80 8.760 8.760 9.149 -0.389 19625
6575 1 10 . 1 1 81 81 VAL N N 81 114.530 114.530 126.571 -12.041 19625
6576 1 10 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.972 -0.062 19625
6577 1 10 . 1 1 81 81 VAL C C 81 175.310 175.310 176.378 -1.068 19625
6578 1 10 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.913 -0.813 19625
6579 1 10 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.806 1.794 19625
6580 1 10 . 1 1 81 81 VAL H H 81 8.030 8.030 8.623 -0.593 19625
6581 1 10 . 1 1 82 82 LYS N N 82 122.730 122.730 123.369 -0.639 19625
6582 1 10 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.025 -0.375 19625
6583 1 10 . 1 1 82 82 LYS C C 82 174.470 174.470 175.272 -0.802 19625
6584 1 10 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.316 2.183 19625
6585 1 10 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.818 1.482 19625
6586 1 10 . 1 1 82 82 LYS H H 82 9.540 9.540 8.552 0.988 19625
6587 1 10 . 1 1 83 83 ASP N N 83 108.020 108.020 111.285 -3.265 19625
6588 1 10 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.721 -0.161 19625
6589 1 10 . 1 1 83 83 ASP C C 83 175.310 175.310 176.924 -1.614 19625
6590 1 10 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.245 0.555 19625
6591 1 10 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.583 1.817 19625
6592 1 10 . 1 1 83 83 ASP H H 83 7.080 7.080 7.783 -0.703 19625
6593 1 10 . 1 1 84 84 MET N N 84 120.990 120.990 118.929 2.061 19625
6594 1 10 . 1 1 84 84 MET HA H 84 4.190 4.190 4.370 -0.180 19625
6595 1 10 . 1 1 84 84 MET C C 84 177.910 177.910 177.416 0.494 19625
6596 1 10 . 1 1 84 84 MET CA C 84 59.000 59.000 57.167 1.833 19625
6597 1 10 . 1 1 84 84 MET CB C 84 32.460 32.460 31.671 0.789 19625
6598 1 10 . 1 1 84 84 MET H H 84 9.290 9.290 8.783 0.507 19625
6599 1 10 . 1 1 85 85 SER N N 85 113.930 113.930 115.913 -1.983 19625
6600 1 10 . 1 1 85 85 SER HA H 85 4.310 4.310 4.230 0.080 19625
6601 1 10 . 1 1 85 85 SER C C 85 177.010 177.010 175.947 1.063 19625
6602 1 10 . 1 1 85 85 SER CA C 85 61.700 61.700 61.070 0.630 19625
6603 1 10 . 1 1 85 85 SER CB C 85 63.900 63.900 62.880 1.020 19625
6604 1 10 . 1 1 85 85 SER H H 85 8.520 8.520 7.988 0.532 19625
6605 1 10 . 1 1 86 86 ARG N N 86 120.920 120.920 122.325 -1.405 19625
6606 1 10 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.149 -0.429 19625
6607 1 10 . 1 1 86 86 ARG C C 86 179.510 179.510 178.152 1.358 19625
6608 1 10 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.500 0.860 19625
6609 1 10 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.077 3.503 19625
6610 1 10 . 1 1 86 86 ARG H H 86 7.990 7.990 7.707 0.283 19625
6611 1 10 . 1 1 87 87 LEU N N 87 117.290 117.290 117.639 -0.349 19625
6612 1 10 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.883 0.027 19625
6613 1 10 . 1 1 87 87 LEU C C 87 177.080 177.080 177.366 -0.286 19625
6614 1 10 . 1 1 87 87 LEU CA C 87 59.100 59.100 55.993 3.107 19625
6615 1 10 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.853 0.847 19625
6616 1 10 . 1 1 87 87 LEU H H 87 7.400 7.400 8.128 -0.728 19625
6617 1 10 . 1 1 88 88 GLY N N 88 102.420 102.420 103.912 -1.492 19625
6618 1 10 . 1 1 88 88 GLY C C 88 169.840 169.840 173.527 -3.687 19625
6619 1 10 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.621 1.579 19625
6620 1 10 . 1 1 88 88 GLY H H 88 7.430 7.430 7.437 -0.007 19625
6621 1 10 . 1 1 89 89 ARG N N 89 115.910 115.910 120.366 -4.456 19625
6622 1 10 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.230 -0.190 19625
6623 1 10 . 1 1 89 89 ARG C C 89 177.540 177.540 176.335 1.205 19625
6624 1 10 . 1 1 89 89 ARG CA C 89 57.000 57.000 56.970 0.030 19625
6625 1 10 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.454 2.156 19625
6626 1 10 . 1 1 89 89 ARG H H 89 7.160 7.160 8.576 -1.416 19625
6627 1 10 . 1 1 90 90 ASN N N 90 117.420 117.420 119.581 -2.161 19625
6628 1 10 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.582 0.038 19625
6629 1 10 . 1 1 90 90 ASN C C 90 175.420 175.420 175.738 -0.318 19625
6630 1 10 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.272 0.078 19625
6631 1 10 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.715 1.745 19625
6632 1 10 . 1 1 90 90 ASN H H 90 7.930 7.930 8.047 -0.117 19625
6633 1 10 . 1 1 91 91 TYR N N 91 126.420 126.420 125.804 0.616 19625
6634 1 10 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.274 -0.284 19625
6635 1 10 . 1 1 91 91 TYR C C 91 177.470 177.470 176.732 0.738 19625
6636 1 10 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.140 0.830 19625
6637 1 10 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.614 -0.324 19625
6638 1 10 . 1 1 91 91 TYR H H 91 8.590 8.590 8.414 0.176 19625
6639 1 10 . 1 1 92 92 LEU N N 92 121.090 121.090 121.314 -0.224 19625
6640 1 10 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.893 -0.053 19625
6641 1 10 . 1 1 92 92 LEU C C 92 179.580 179.580 178.414 1.166 19625
6642 1 10 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.890 -0.390 19625
6643 1 10 . 1 1 92 92 LEU CB C 92 42.200 42.200 40.821 1.379 19625
6644 1 10 . 1 1 92 92 LEU H H 92 7.860 7.860 8.074 -0.214 19625
6645 1 10 . 1 1 93 93 GLN N N 93 117.490 117.490 117.908 -0.418 19625
6646 1 10 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.830 0.110 19625
6647 1 10 . 1 1 93 93 GLN C C 93 178.630 178.630 178.911 -0.281 19625
6648 1 10 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.666 0.134 19625
6649 1 10 . 1 1 93 93 GLN CB C 93 30.100 30.100 27.808 2.292 19625
6650 1 10 . 1 1 93 93 GLN H H 93 7.350 7.350 8.271 -0.921 19625
6651 1 10 . 1 1 94 94 VAL N N 94 118.580 118.580 119.060 -0.480 19625
6652 1 10 . 1 1 94 94 VAL HA H 94 3.520 3.520 4.003 -0.483 19625
6653 1 10 . 1 1 94 94 VAL C C 94 177.420 177.420 178.092 -0.672 19625
6654 1 10 . 1 1 94 94 VAL CA C 94 67.500 67.500 65.962 1.538 19625
6655 1 10 . 1 1 94 94 VAL CB C 94 32.800 32.800 30.857 1.943 19625
6656 1 10 . 1 1 94 94 VAL H H 94 8.230 8.230 8.208 0.022 19625
6657 1 10 . 1 1 95 95 GLY N N 95 106.450 106.450 107.609 -1.159 19625
6658 1 10 . 1 1 95 95 GLY C C 95 174.810 174.810 175.574 -0.764 19625
6659 1 10 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.682 0.118 19625
6660 1 10 . 1 1 95 95 GLY H H 95 7.760 7.760 7.811 -0.051 19625
6661 1 10 . 1 1 96 96 PHE N N 96 120.590 120.590 123.628 -3.038 19625
6662 1 10 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.872 -0.082 19625
6663 1 10 . 1 1 96 96 PHE C C 96 176.780 176.780 176.540 0.240 19625
6664 1 10 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.812 1.288 19625
6665 1 10 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.561 0.739 19625
6666 1 10 . 1 1 96 96 PHE H H 96 7.000 7.000 8.109 -1.109 19625
6667 1 10 . 1 1 97 97 TYR N N 97 116.700 116.700 116.635 0.065 19625
6668 1 10 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.938 -1.008 19625
6669 1 10 . 1 1 97 97 TYR C C 97 175.500 175.500 177.608 -2.108 19625
6670 1 10 . 1 1 97 97 TYR CA C 97 62.700 62.700 61.989 0.711 19625
6671 1 10 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.327 0.473 19625
6672 1 10 . 1 1 97 97 TYR H H 97 7.030 7.030 7.959 -0.929 19625
6673 1 10 . 1 1 98 98 THR N N 98 104.710 104.710 109.131 -4.421 19625
6674 1 10 . 1 1 98 98 THR HA H 98 3.390 3.390 3.479 -0.089 19625
6675 1 10 . 1 1 98 98 THR C C 98 176.830 176.830 175.859 0.971 19625
6676 1 10 . 1 1 98 98 THR CA C 98 65.200 65.200 64.628 0.572 19625
6677 1 10 . 1 1 98 98 THR CB C 98 68.800 68.800 68.612 0.188 19625
6678 1 10 . 1 1 98 98 THR H H 98 7.540 7.540 7.209 0.331 19625
6679 1 10 . 1 1 99 99 GLU N N 99 116.670 116.670 119.183 -2.513 19625
6680 1 10 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.279 -0.069 19625
6681 1 10 . 1 1 99 99 GLU C C 99 176.820 176.820 177.199 -0.379 19625
6682 1 10 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.840 -0.640 19625
6683 1 10 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.130 0.570 19625
6684 1 10 . 1 1 99 99 GLU H H 99 8.390 8.390 8.280 0.110 19625
6685 1 10 . 1 1 100 100 VAL N N 100 117.330 117.330 117.922 -0.592 19625
6686 1 10 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.948 -0.128 19625
6687 1 10 . 1 1 100 100 VAL C C 100 176.200 176.200 176.627 -0.427 19625
6688 1 10 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.574 1.426 19625
6689 1 10 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.675 0.025 19625
6690 1 10 . 1 1 100 100 VAL H H 100 6.590 6.590 7.434 -0.844 19625
6691 1 10 . 1 1 101 101 LEU N N 101 120.390 120.390 121.240 -0.850 19625
6692 1 10 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.943 -0.323 19625
6693 1 10 . 1 1 101 101 LEU C C 101 177.510 177.510 179.341 -1.831 19625
6694 1 10 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.960 1.740 19625
6695 1 10 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.559 1.551 19625
6696 1 10 . 1 1 101 101 LEU H H 101 7.180 7.180 7.763 -0.583 19625
6697 1 10 . 1 1 102 102 PHE N N 102 114.030 114.030 117.168 -3.138 19625
6698 1 10 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.452 -0.102 19625
6699 1 10 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.549 -0.939 19625
6700 1 10 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.323 -1.553 19625
6701 1 10 . 1 1 102 102 PHE H H 102 8.660 8.660 9.099 -0.439 19625
6702 1 10 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.116 0.114 19625
6703 1 10 . 1 1 103 103 PRO C C 103 180.710 180.710 178.918 1.792 19625
6704 1 10 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.146 0.654 19625
6705 1 10 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.111 0.549 19625
6706 1 10 . 1 1 104 104 GLN N N 104 117.110 117.110 116.353 0.757 19625
6707 1 10 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.059 -0.179 19625
6708 1 10 . 1 1 104 104 GLN C C 104 177.700 177.700 177.261 0.439 19625
6709 1 10 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.182 1.518 19625
6710 1 10 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.373 1.027 19625
6711 1 10 . 1 1 104 104 GLN H H 104 7.290 7.290 7.968 -0.678 19625
6712 1 10 . 1 1 105 105 LYS N N 105 115.380 115.380 114.121 1.259 19625
6713 1 10 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.530 -0.210 19625
6714 1 10 . 1 1 105 105 LYS C C 105 174.880 174.880 175.697 -0.817 19625
6715 1 10 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.723 -0.923 19625
6716 1 10 . 1 1 105 105 LYS CB C 105 31.700 31.700 33.083 -1.383 19625
6717 1 10 . 1 1 105 105 LYS H H 105 7.650 7.650 8.041 -0.391 19625
6718 1 10 . 1 1 106 106 ASN N N 106 116.100 116.100 118.011 -1.911 19625
6719 1 10 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.359 -0.219 19625
6720 1 10 . 1 1 106 106 ASN C C 106 173.400 173.400 173.519 -0.119 19625
6721 1 10 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.733 1.467 19625
6722 1 10 . 1 1 106 106 ASN CB C 106 37.800 37.800 37.925 -0.125 19625
6723 1 10 . 1 1 106 106 ASN H H 106 7.730 7.730 7.992 -0.262 19625
6724 1 10 . 1 1 107 107 VAL N N 107 119.060 119.060 121.579 -2.519 19625
6725 1 10 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.373 -0.643 19625
6726 1 10 . 1 1 107 107 VAL C C 107 175.280 175.280 175.604 -0.324 19625
6727 1 10 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.378 1.722 19625
6728 1 10 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.760 -0.560 19625
6729 1 10 . 1 1 107 107 VAL H H 107 7.970 7.970 8.406 -0.436 19625
6730 1 10 . 1 1 108 108 ARG N N 108 129.920 129.920 127.884 2.036 19625
6731 1 10 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.698 -0.528 19625
6732 1 10 . 1 1 108 108 ARG C C 108 173.020 173.020 174.748 -1.728 19625
6733 1 10 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.141 2.549 19625
6734 1 10 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.439 0.660 19625
6735 1 10 . 1 1 108 108 ARG H H 108 8.230 8.230 8.285 -0.055 19625
6736 1 10 . 1 1 109 109 PHE N N 109 129.390 129.390 125.322 4.068 19625
6737 1 10 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.945 0.165 19625
6738 1 10 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.511 -1.381 19625
6739 1 10 . 1 1 109 109 PHE CB C 109 42.890 42.890 40.591 2.299 19625
6740 1 10 . 1 1 109 109 PHE H H 109 8.550 8.550 8.782 -0.232 19625
6741 1 10 . 1 1 110 110 LEU N N 110 130.220 130.220 126.592 3.628 19625
6742 1 10 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.783 -0.693 19625
6743 1 10 . 1 1 110 110 LEU C C 110 172.360 172.360 174.071 -1.711 19625
6744 1 10 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.735 0.875 19625
6745 1 10 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.908 0.792 19625
6746 1 10 . 1 1 110 110 LEU H H 110 8.290 8.290 8.670 -0.380 19625
6747 1 10 . 1 1 111 111 ALA N N 111 123.890 123.890 129.652 -5.762 19625
6748 1 10 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.990 -0.410 19625
6749 1 10 . 1 1 111 111 ALA C C 111 177.470 177.470 178.084 -0.614 19625
6750 1 10 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.964 -1.164 19625
6751 1 10 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.752 0.248 19625
6752 1 10 . 1 1 111 111 ALA H H 111 7.590 7.590 8.554 -0.964 19625
6753 1 10 . 1 1 112 112 ILE N N 112 121.690 121.690 125.654 -3.964 19625
6754 1 10 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.673 -0.533 19625
6755 1 10 . 1 1 112 112 ILE C C 112 177.350 177.350 177.384 -0.034 19625
6756 1 10 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.827 1.473 19625
6757 1 10 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.408 0.632 19625
6758 1 10 . 1 1 112 112 ILE H H 112 7.700 7.700 8.454 -0.754 19625
6759 1 10 . 1 1 113 113 ASN N N 113 116.220 116.220 117.082 -0.862 19625
6760 1 10 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.745 -0.005 19625
6761 1 10 . 1 1 113 113 ASN C C 113 175.110 175.110 174.132 0.978 19625
6762 1 10 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.678 -0.068 19625
6763 1 10 . 1 1 113 113 ASN CB C 113 39.660 39.660 39.440 0.220 19625
6764 1 10 . 1 1 113 113 ASN H H 113 8.350 8.350 8.422 -0.072 19625
6765 1 10 . 1 1 114 114 ASN N N 114 118.560 118.560 115.883 2.677 19625
6766 1 10 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.695 -0.095 19625
6767 1 10 . 1 1 114 114 ASN C C 114 174.870 174.870 173.183 1.687 19625
6768 1 10 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.045 1.295 19625
6769 1 10 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.868 -0.268 19625
6770 1 10 . 1 1 114 114 ASN H H 114 8.110 8.110 7.553 0.557 19625
6771 1 10 . 1 1 115 115 SER N N 115 114.600 114.600 116.602 -2.002 19625
6772 1 10 . 1 1 115 115 SER HA H 115 4.320 4.320 4.419 -0.099 19625
6773 1 10 . 1 1 115 115 SER C C 115 174.120 174.120 175.422 -1.302 19625
6774 1 10 . 1 1 115 115 SER CA C 115 59.260 59.260 58.639 0.620 19625
6775 1 10 . 1 1 115 115 SER CB C 115 64.200 64.200 63.634 0.566 19625
6776 1 10 . 1 1 115 115 SER H H 115 8.010 8.010 8.665 -0.655 19625
6777 1 10 . 1 1 116 116 ILE N N 116 121.020 121.020 126.441 -5.421 19625
6778 1 10 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.920 0.100 19625
6779 1 10 . 1 1 116 116 ILE C C 116 175.590 175.590 176.412 -0.822 19625
6780 1 10 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.655 -1.465 19625
6781 1 10 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.204 1.696 19625
6782 1 10 . 1 1 116 116 ILE H H 116 7.920 7.920 8.842 -0.922 19625
6783 1 10 . 1 1 117 117 ASP N N 117 124.190 124.190 115.207 8.983 19625
6784 1 10 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.629 -0.039 19625
6785 1 10 . 1 1 117 117 ASP C C 117 174.870 174.870 175.643 -0.773 19625
6786 1 10 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.959 0.821 19625
6787 1 10 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.695 0.795 19625
6788 1 10 . 1 1 117 117 ASP H H 117 8.160 8.160 8.407 -0.247 19625
6789 1 10 . 1 1 118 118 SER N N 118 116.920 116.920 117.783 -0.863 19625
6790 1 10 . 1 1 118 118 SER HA H 118 4.250 4.250 4.339 -0.089 19625
6791 1 10 . 1 1 118 118 SER C C 118 174.260 174.260 174.066 0.194 19625
6792 1 10 . 1 1 118 118 SER CA C 118 59.770 59.770 58.844 0.926 19625
6793 1 10 . 1 1 118 118 SER CB C 118 64.500 64.500 63.956 0.544 19625
6794 1 10 . 1 1 118 118 SER H H 118 8.220 8.220 8.340 -0.120 19625
6795 1 10 . 1 1 119 119 ASN N N 119 120.830 120.830 120.673 0.157 19625
6796 1 10 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.712 -0.132 19625
6797 1 10 . 1 1 119 119 ASN C C 119 174.120 174.120 174.347 -0.227 19625
6798 1 10 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.623 0.577 19625
6799 1 10 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.386 0.313 19625
6800 1 10 . 1 1 119 119 ASN H H 119 8.330 8.330 8.507 -0.177 19625
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 115 3.097 0.263 3.099 19625
2 1 1 "Average Difference" HA 126 0.354 0.151 0.322 19625
3 1 1 "Average Difference" C 112 1.185 0.131 1.183 19625
4 1 1 "Average Difference" CA 118 1.427 -0.918 1.096 19625
5 1 1 "Average Difference" CB 110 1.654 -0.921 1.380 19625
6 1 1 "Average Difference" HN 115 0.587 0.087 0.583 19625
7 1 2 "Average Difference" N 115 3.045 0.206 3.052 19625
8 1 2 "Average Difference" HA 126 0.322 0.131 0.296 19625
9 1 2 "Average Difference" C 112 1.157 0.078 1.160 19625
10 1 2 "Average Difference" CA 118 1.357 -0.837 1.074 19625
11 1 2 "Average Difference" CB 110 1.538 -0.886 1.262 19625
12 1 2 "Average Difference" HN 115 0.587 0.096 0.581 19625
13 1 3 "Average Difference" N 115 3.043 0.156 3.052 19625
14 1 3 "Average Difference" HA 126 0.326 0.117 0.305 19625
15 1 3 "Average Difference" C 112 1.117 0.125 1.115 19625
16 1 3 "Average Difference" CA 118 1.348 -0.827 1.070 19625
17 1 3 "Average Difference" CB 110 1.658 -0.975 1.347 19625
18 1 3 "Average Difference" HN 115 0.573 0.105 0.566 19625
19 1 4 "Average Difference" N 115 3.015 0.155 3.024 19625
20 1 4 "Average Difference" HA 126 0.333 0.136 0.305 19625
21 1 4 "Average Difference" C 112 1.173 0.156 1.168 19625
22 1 4 "Average Difference" CA 118 1.333 -0.811 1.062 19625
23 1 4 "Average Difference" CB 110 1.739 -0.956 1.459 19625
24 1 4 "Average Difference" HN 115 0.586 0.098 0.580 19625
25 1 5 "Average Difference" N 115 3.031 0.238 3.034 19625
26 1 5 "Average Difference" HA 126 0.348 0.141 0.320 19625
27 1 5 "Average Difference" C 112 1.221 0.078 1.224 19625
28 1 5 "Average Difference" CA 118 1.374 -0.899 1.044 19625
29 1 5 "Average Difference" CB 110 1.722 -0.934 1.454 19625
30 1 5 "Average Difference" HN 115 0.560 0.080 0.557 19625
31 1 6 "Average Difference" N 115 2.975 0.233 2.979 19625
32 1 6 "Average Difference" HA 126 0.339 0.156 0.301 19625
33 1 6 "Average Difference" C 112 1.092 0.135 1.089 19625
34 1 6 "Average Difference" CA 118 1.369 -0.911 1.027 19625
35 1 6 "Average Difference" CB 110 1.647 -0.942 1.358 19625
36 1 6 "Average Difference" HN 115 0.545 0.087 0.540 19625
37 1 7 "Average Difference" N 115 3.025 0.360 3.016 19625
38 1 7 "Average Difference" HA 126 0.342 0.128 0.319 19625
39 1 7 "Average Difference" C 112 1.130 0.152 1.125 19625
40 1 7 "Average Difference" CA 118 1.351 -0.851 1.053 19625
41 1 7 "Average Difference" CB 110 1.628 -0.956 1.324 19625
42 1 7 "Average Difference" HN 115 0.571 0.095 0.565 19625
43 1 8 "Average Difference" N 115 3.100 0.233 3.105 19625
44 1 8 "Average Difference" HA 126 0.330 0.116 0.310 19625
45 1 8 "Average Difference" C 112 1.168 0.138 1.165 19625
46 1 8 "Average Difference" CA 118 1.334 -0.809 1.066 19625
47 1 8 "Average Difference" CB 110 1.729 -1.039 1.389 19625
48 1 8 "Average Difference" HN 115 0.570 0.084 0.566 19625
49 1 9 "Average Difference" N 115 3.114 0.190 3.122 19625
50 1 9 "Average Difference" HA 126 0.338 0.119 0.317 19625
51 1 9 "Average Difference" C 112 1.115 0.175 1.106 19625
52 1 9 "Average Difference" CA 118 1.345 -0.799 1.086 19625
53 1 9 "Average Difference" CB 110 1.713 -0.972 1.417 19625
54 1 9 "Average Difference" HN 115 0.585 0.113 0.577 19625
55 1 10 "Average Difference" N 115 3.100 0.377 3.090 19625
56 1 10 "Average Difference" HA 126 0.339 0.123 0.318 19625
57 1 10 "Average Difference" C 112 1.161 0.167 1.154 19625
58 1 10 "Average Difference" CA 118 1.447 -0.818 1.198 19625
59 1 10 "Average Difference" CB 110 1.628 -0.922 1.347 19625
60 1 10 "Average Difference" HN 115 0.613 0.090 0.609 19625
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 19625
_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 SER HA H 2 4.320 4.320 4.595 -0.275 19625
2 1 . 1 1 2 2 SER C C 2 174.400 174.400 174.514 -0.114 19625
3 1 . 1 1 2 2 SER CA C 2 59.200 59.200 58.088 1.112 19625
4 1 . 1 1 2 2 SER CB C 2 64.800 64.800 64.301 0.499 19625
5 1 . 1 1 3 3 ARG N N 3 123.220 123.220 121.400 1.820 19625
6 1 . 1 1 3 3 ARG HA H 3 4.230 4.230 4.490 -0.260 19625
7 1 . 1 1 3 3 ARG C C 3 176.320 176.320 175.532 0.788 19625
8 1 . 1 1 3 3 ARG CA C 3 57.300 57.300 56.534 0.766 19625
9 1 . 1 1 3 3 ARG CB C 3 31.600 31.600 30.577 1.023 19625
10 1 . 1 1 3 3 ARG H H 3 8.590 8.590 8.390 0.200 19625
11 1 . 1 1 4 4 THR N N 4 114.540 114.540 114.175 0.365 19625
12 1 . 1 1 4 4 THR HA H 4 4.270 4.270 4.473 -0.203 19625
13 1 . 1 1 4 4 THR C C 4 173.880 173.880 173.699 0.181 19625
14 1 . 1 1 4 4 THR CA C 4 62.200 62.200 61.684 0.516 19625
15 1 . 1 1 4 4 THR CB C 4 70.700 70.700 69.965 0.735 19625
16 1 . 1 1 4 4 THR H H 4 8.090 8.090 8.026 0.064 19625
17 1 . 1 1 5 5 SER N N 5 117.410 117.410 118.590 -1.180 19625
18 1 . 1 1 5 5 SER HA H 5 4.320 4.320 4.587 -0.267 19625
19 1 . 1 1 5 5 SER C C 5 174.020 174.020 174.368 -0.348 19625
20 1 . 1 1 5 5 SER CA C 5 58.900 58.900 58.369 0.531 19625
21 1 . 1 1 5 5 SER CB C 5 64.700 64.700 63.762 0.937 19625
22 1 . 1 1 5 5 SER H H 5 8.100 8.100 8.449 -0.349 19625
23 1 . 1 1 6 6 ARG N N 6 122.330 122.330 124.438 -2.108 19625
24 1 . 1 1 6 6 ARG HA H 6 4.290 4.290 4.490 -0.200 19625
25 1 . 1 1 6 6 ARG C C 6 176.850 176.850 175.728 1.123 19625
26 1 . 1 1 6 6 ARG CA C 6 57.400 57.400 55.574 1.826 19625
27 1 . 1 1 6 6 ARG CB C 6 33.400 33.400 30.980 2.420 19625
28 1 . 1 1 6 6 ARG H H 6 8.100 8.100 8.315 -0.215 19625
29 1 . 1 1 7 7 ILE N N 7 115.270 115.270 113.651 1.619 19625
30 1 . 1 1 7 7 ILE HA H 7 4.570 4.570 4.506 0.064 19625
31 1 . 1 1 7 7 ILE C C 7 177.060 177.060 174.020 3.040 19625
32 1 . 1 1 7 7 ILE CA C 7 62.230 62.230 60.200 2.030 19625
33 1 . 1 1 7 7 ILE CB C 7 42.180 42.180 41.642 0.538 19625
34 1 . 1 1 7 7 ILE H H 7 8.550 8.550 8.543 0.007 19625
35 1 . 1 1 8 8 THR N N 8 120.840 120.840 117.656 3.184 19625
36 1 . 1 1 8 8 THR HA H 8 4.420 4.420 4.499 -0.079 19625
37 1 . 1 1 8 8 THR C C 8 172.530 172.530 173.202 -0.672 19625
38 1 . 1 1 8 8 THR CA C 8 63.100 63.100 61.669 1.431 19625
39 1 . 1 1 8 8 THR CB C 8 69.000 69.000 70.518 -1.518 19625
40 1 . 1 1 8 8 THR H H 8 8.030 8.030 7.949 0.081 19625
41 1 . 1 1 9 9 ALA N N 9 129.200 129.200 128.508 0.692 19625
42 1 . 1 1 9 9 ALA HA H 9 4.780 4.780 5.011 -0.231 19625
43 1 . 1 1 9 9 ALA C C 9 173.980 173.980 174.771 -0.791 19625
44 1 . 1 1 9 9 ALA CA C 9 51.300 51.300 50.488 0.812 19625
45 1 . 1 1 9 9 ALA CB C 9 23.400 23.400 21.016 2.384 19625
46 1 . 1 1 9 9 ALA H H 9 9.210 9.210 9.123 0.087 19625
47 1 . 1 1 10 10 LEU N N 10 124.830 124.830 128.147 -3.317 19625
48 1 . 1 1 10 10 LEU HA H 10 4.830 4.830 5.104 -0.274 19625
49 1 . 1 1 10 10 LEU C C 10 174.400 174.400 174.588 -0.188 19625
50 1 . 1 1 10 10 LEU CA C 10 53.800 53.800 53.755 0.045 19625
51 1 . 1 1 10 10 LEU CB C 10 41.500 41.500 44.118 -2.618 19625
52 1 . 1 1 10 10 LEU H H 10 8.720 8.720 9.018 -0.298 19625
53 1 . 1 1 11 11 TYR N N 11 122.470 122.470 128.356 -5.886 19625
54 1 . 1 1 11 11 TYR HA H 11 5.830 5.830 5.594 0.236 19625
55 1 . 1 1 11 11 TYR C C 11 174.120 174.120 173.323 0.797 19625
56 1 . 1 1 11 11 TYR CA C 11 57.100 57.100 55.748 1.352 19625
57 1 . 1 1 11 11 TYR CB C 11 41.500 41.500 41.656 -0.156 19625
58 1 . 1 1 11 11 TYR H H 11 8.000 8.000 8.689 -0.688 19625
59 1 . 1 1 12 12 GLU N N 12 121.360 121.360 126.230 -4.870 19625
60 1 . 1 1 12 12 GLU HA H 12 4.200 4.200 4.588 -0.388 19625
61 1 . 1 1 12 12 GLU C C 12 172.720 172.720 173.978 -1.258 19625
62 1 . 1 1 12 12 GLU CA C 12 55.700 55.700 54.495 1.205 19625
63 1 . 1 1 12 12 GLU CB C 12 30.400 30.400 33.978 -3.578 19625
64 1 . 1 1 12 12 GLU H H 12 7.870 7.870 8.286 -0.416 19625
65 1 . 1 1 13 13 ARG N N 13 118.180 118.180 120.653 -2.473 19625
66 1 . 1 1 13 13 ARG HA H 13 4.870 4.870 4.700 0.170 19625
67 1 . 1 1 13 13 ARG C C 13 174.680 174.680 173.958 0.722 19625
68 1 . 1 1 13 13 ARG CA C 13 55.800 55.800 55.153 0.647 19625
69 1 . 1 1 13 13 ARG CB C 13 35.360 35.360 32.756 2.604 19625
70 1 . 1 1 13 13 ARG H H 13 7.290 7.290 8.356 -1.066 19625
71 1 . 1 1 14 14 LEU N N 14 131.070 131.070 125.349 5.721 19625
72 1 . 1 1 14 14 LEU HA H 14 4.390 4.390 4.756 -0.366 19625
73 1 . 1 1 14 14 LEU C C 14 172.930 172.930 175.111 -2.180 19625
74 1 . 1 1 14 14 LEU CA C 14 56.400 56.400 53.834 2.566 19625
75 1 . 1 1 14 14 LEU CB C 14 47.800 47.800 44.391 3.409 19625
76 1 . 1 1 14 14 LEU H H 14 8.010 8.010 8.602 -0.592 19625
77 1 . 1 1 15 15 SER N N 15 118.940 118.940 118.796 0.144 19625
78 1 . 1 1 15 15 SER HA H 15 4.520 4.520 4.561 -0.041 19625
79 1 . 1 1 15 15 SER C C 15 175.380 175.380 175.188 0.192 19625
80 1 . 1 1 15 15 SER CA C 15 58.300 58.300 57.634 0.666 19625
81 1 . 1 1 15 15 SER CB C 15 65.300 65.300 64.401 0.899 19625
82 1 . 1 1 15 15 SER H H 15 8.580 8.580 8.557 0.023 19625
83 1 . 1 1 16 16 ARG N N 16 123.190 123.190 126.315 -3.125 19625
84 1 . 1 1 16 16 ARG HA H 16 3.960 3.960 4.273 -0.313 19625
85 1 . 1 1 16 16 ARG C C 16 177.410 177.410 176.491 0.919 19625
86 1 . 1 1 16 16 ARG CA C 16 59.500 59.500 57.346 2.154 19625
87 1 . 1 1 16 16 ARG CB C 16 30.400 30.400 30.189 0.211 19625
88 1 . 1 1 16 16 ARG H H 16 8.980 8.980 8.842 0.138 19625
89 1 . 1 1 17 17 ASP N N 17 115.110 115.110 117.811 -2.701 19625
90 1 . 1 1 17 17 ASP HA H 17 4.300 4.300 4.608 -0.308 19625
91 1 . 1 1 17 17 ASP C C 17 176.090 176.090 175.997 0.093 19625
92 1 . 1 1 17 17 ASP CA C 17 54.600 54.600 54.726 -0.126 19625
93 1 . 1 1 17 17 ASP CB C 17 40.100 40.100 40.692 -0.592 19625
94 1 . 1 1 17 17 ASP H H 17 8.160 8.160 7.850 0.310 19625
95 1 . 1 1 18 18 ASP N N 18 119.390 119.390 119.636 -0.246 19625
96 1 . 1 1 18 18 ASP HA H 18 4.300 4.300 4.482 -0.182 19625
97 1 . 1 1 18 18 ASP C C 18 175.750 175.750 175.981 -0.231 19625
98 1 . 1 1 18 18 ASP CA C 18 56.300 56.300 54.678 1.622 19625
99 1 . 1 1 18 18 ASP CB C 18 42.740 42.740 40.951 1.789 19625
100 1 . 1 1 18 18 ASP H H 18 7.240 7.240 7.708 -0.468 19625
101 1 . 1 1 19 19 ASP N N 19 117.850 117.850 118.078 -0.228 19625
102 1 . 1 1 19 19 ASP HA H 19 4.230 4.230 4.528 -0.298 19625
103 1 . 1 1 19 19 ASP C C 19 175.300 175.300 176.276 -0.976 19625
104 1 . 1 1 19 19 ASP CA C 19 56.030 56.030 54.781 1.249 19625
105 1 . 1 1 19 19 ASP CB C 19 41.060 41.060 40.730 0.330 19625
106 1 . 1 1 19 19 ASP H H 19 8.000 8.000 8.636 -0.636 19625
107 1 . 1 1 20 20 LEU N N 20 120.230 120.230 116.937 3.293 19625
108 1 . 1 1 20 20 LEU HA H 20 4.380 4.380 4.536 -0.156 19625
109 1 . 1 1 20 20 LEU C C 20 176.830 176.830 176.504 0.326 19625
110 1 . 1 1 20 20 LEU CA C 20 55.100 55.100 55.003 0.097 19625
111 1 . 1 1 20 20 LEU CB C 20 43.480 43.480 42.485 0.995 19625
112 1 . 1 1 20 20 LEU H H 20 7.960 7.960 7.522 0.438 19625
113 1 . 1 1 21 21 THR N N 21 113.040 113.040 111.892 1.148 19625
114 1 . 1 1 21 21 THR HA H 21 4.290 4.290 4.246 0.044 19625
115 1 . 1 1 21 21 THR C C 21 174.900 174.900 174.158 0.742 19625
116 1 . 1 1 21 21 THR CA C 21 61.970 61.970 62.464 -0.494 19625
117 1 . 1 1 21 21 THR CB C 21 71.200 71.200 68.987 2.213 19625
118 1 . 1 1 21 21 THR H H 21 8.070 8.070 7.887 0.183 19625
119 1 . 1 1 22 22 GLY N N 22 110.100 110.100 112.726 -2.626 19625
120 1 . 1 1 22 22 GLY C C 22 175.110 175.110 173.929 1.181 19625
121 1 . 1 1 22 22 GLY CA C 22 45.970 45.970 45.398 0.573 19625
122 1 . 1 1 22 22 GLY H H 22 8.230 8.230 8.038 0.192 19625
123 1 . 1 1 23 23 GLU N N 23 121.940 121.940 121.273 0.667 19625
124 1 . 1 1 23 23 GLU HA H 23 4.000 4.000 4.311 -0.311 19625
125 1 . 1 1 23 23 GLU C C 23 178.200 178.200 177.148 1.052 19625
126 1 . 1 1 23 23 GLU CA C 23 58.900 58.900 57.997 0.903 19625
127 1 . 1 1 23 23 GLU CB C 23 30.600 30.600 29.889 0.711 19625
128 1 . 1 1 23 23 GLU H H 23 8.550 8.550 8.568 -0.018 19625
129 1 . 1 1 24 24 SER N N 24 114.930 114.930 112.432 2.498 19625
130 1 . 1 1 24 24 SER HA H 24 3.990 3.990 4.275 -0.285 19625
131 1 . 1 1 24 24 SER C C 24 174.000 174.000 174.052 -0.052 19625
132 1 . 1 1 24 24 SER CA C 24 61.610 61.610 59.321 2.288 19625
133 1 . 1 1 24 24 SER CB C 24 63.600 63.600 63.131 0.469 19625
134 1 . 1 1 24 24 SER H H 24 8.290 8.290 8.111 0.179 19625
135 1 . 1 1 25 25 ASN N N 25 117.820 117.820 117.396 0.424 19625
136 1 . 1 1 25 25 ASN HA H 25 4.730 4.730 4.851 -0.121 19625
137 1 . 1 1 25 25 ASN C C 25 174.380 174.380 174.089 0.291 19625
138 1 . 1 1 25 25 ASN CA C 25 53.100 53.100 52.755 0.345 19625
139 1 . 1 1 25 25 ASN CB C 25 40.800 40.800 39.066 1.734 19625
140 1 . 1 1 25 25 ASN H H 25 7.620 7.620 7.895 -0.275 19625
141 1 . 1 1 26 26 SER N N 26 115.050 115.050 115.295 -0.245 19625
142 1 . 1 1 26 26 SER HA H 26 4.140 4.140 4.572 -0.432 19625
143 1 . 1 1 26 26 SER C C 26 174.660 174.660 173.733 0.927 19625
144 1 . 1 1 26 26 SER CA C 26 58.500 58.500 57.958 0.542 19625
145 1 . 1 1 26 26 SER CB C 26 65.000 65.000 65.173 -0.173 19625
146 1 . 1 1 26 26 SER H H 26 7.510 7.510 7.902 -0.392 19625
147 1 . 1 1 27 27 ILE N N 27 124.200 124.200 121.712 2.488 19625
148 1 . 1 1 27 27 ILE HA H 27 3.460 3.460 3.829 -0.369 19625
149 1 . 1 1 27 27 ILE C C 27 177.540 177.540 177.209 0.331 19625
150 1 . 1 1 27 27 ILE CA C 27 63.440 63.440 64.287 -0.847 19625
151 1 . 1 1 27 27 ILE CB C 27 36.400 36.400 37.051 -0.651 19625
152 1 . 1 1 27 27 ILE H H 27 8.960 8.960 8.427 0.533 19625
153 1 . 1 1 28 28 THR N N 28 114.810 114.810 115.684 -0.874 19625
154 1 . 1 1 28 28 THR HA H 28 3.510 3.510 3.995 -0.485 19625
155 1 . 1 1 28 28 THR C C 28 176.210 176.210 176.262 -0.052 19625
156 1 . 1 1 28 28 THR CA C 28 67.300 67.300 66.545 0.755 19625
157 1 . 1 1 28 28 THR CB C 28 69.240 69.240 68.498 0.742 19625
158 1 . 1 1 28 28 THR H H 28 8.030 8.030 8.289 -0.259 19625
159 1 . 1 1 29 29 ASN N N 29 120.670 120.670 118.580 2.090 19625
160 1 . 1 1 29 29 ASN HA H 29 4.400 4.400 4.476 -0.076 19625
161 1 . 1 1 29 29 ASN C C 29 175.110 175.110 177.521 -2.411 19625
162 1 . 1 1 29 29 ASN CA C 29 57.100 57.100 56.797 0.303 19625
163 1 . 1 1 29 29 ASN CB C 29 38.700 38.700 38.052 0.648 19625
164 1 . 1 1 29 29 ASN H H 29 7.640 7.640 8.110 -0.470 19625
165 1 . 1 1 30 30 GLN N N 30 122.180 122.180 119.343 2.837 19625
166 1 . 1 1 30 30 GLN HA H 30 3.850 3.850 4.074 -0.224 19625
167 1 . 1 1 30 30 GLN CA C 30 61.510 61.510 58.936 2.574 19625
168 1 . 1 1 30 30 GLN CB C 30 32.060 32.060 27.956 4.104 19625
169 1 . 1 1 30 30 GLN H H 30 8.620 8.620 8.203 0.417 19625
170 1 . 1 1 31 31 LYS N N 31 116.860 116.860 119.886 -3.026 19625
171 1 . 1 1 31 31 LYS HA H 31 3.830 3.830 4.161 -0.331 19625
172 1 . 1 1 31 31 LYS C C 31 178.370 178.370 179.382 -1.012 19625
173 1 . 1 1 31 31 LYS CA C 31 61.300 61.300 59.905 1.395 19625
174 1 . 1 1 31 31 LYS CB C 31 33.580 33.580 32.162 1.418 19625
175 1 . 1 1 31 31 LYS H H 31 8.230 8.230 7.969 0.261 19625
176 1 . 1 1 32 32 LYS N N 32 117.720 117.720 119.327 -1.607 19625
177 1 . 1 1 32 32 LYS HA H 32 3.850 3.850 4.182 -0.332 19625
178 1 . 1 1 32 32 LYS C C 32 177.840 177.840 178.972 -1.132 19625
179 1 . 1 1 32 32 LYS CA C 32 60.200 60.200 59.551 0.648 19625
180 1 . 1 1 32 32 LYS CB C 32 33.500 33.500 32.289 1.211 19625
181 1 . 1 1 32 32 LYS H H 32 7.470 7.470 7.855 -0.385 19625
182 1 . 1 1 33 33 TYR N N 33 120.230 120.230 121.608 -1.378 19625
183 1 . 1 1 33 33 TYR HA H 33 4.140 4.140 4.140 -0.000 19625
184 1 . 1 1 33 33 TYR C C 33 178.990 178.990 177.737 1.253 19625
185 1 . 1 1 33 33 TYR CA C 33 61.900 61.900 62.046 -0.146 19625
186 1 . 1 1 33 33 TYR CB C 33 40.250 40.250 38.419 1.831 19625
187 1 . 1 1 33 33 TYR H H 33 8.210 8.210 7.783 0.427 19625
188 1 . 1 1 34 34 LEU N N 34 117.680 117.680 117.931 -0.251 19625
189 1 . 1 1 34 34 LEU HA H 34 3.780 3.780 3.920 -0.140 19625
190 1 . 1 1 34 34 LEU C C 34 178.370 178.370 179.250 -0.880 19625
191 1 . 1 1 34 34 LEU CA C 34 59.000 59.000 57.290 1.710 19625
192 1 . 1 1 34 34 LEU CB C 34 43.000 43.000 40.388 2.612 19625
193 1 . 1 1 34 34 LEU H H 34 8.270 8.270 8.091 0.179 19625
194 1 . 1 1 35 35 GLU N N 35 120.040 120.040 120.308 -0.268 19625
195 1 . 1 1 35 35 GLU HA H 35 3.600 3.600 3.986 -0.386 19625
196 1 . 1 1 35 35 GLU C C 35 178.480 178.480 178.894 -0.414 19625
197 1 . 1 1 35 35 GLU CA C 35 61.500 61.500 60.213 1.288 19625
198 1 . 1 1 35 35 GLU CB C 35 30.400 30.400 29.498 0.902 19625
199 1 . 1 1 35 35 GLU H H 35 8.490 8.490 8.139 0.351 19625
200 1 . 1 1 36 36 ASP N N 36 119.540 119.540 118.924 0.616 19625
201 1 . 1 1 36 36 ASP HA H 36 4.200 4.200 4.355 -0.155 19625
202 1 . 1 1 36 36 ASP CA C 36 58.400 58.400 57.575 0.825 19625
203 1 . 1 1 36 36 ASP CB C 36 41.400 41.400 40.844 0.556 19625
204 1 . 1 1 36 36 ASP H H 36 8.410 8.410 8.431 -0.021 19625
205 1 . 1 1 37 37 TYR N N 37 120.120 120.120 120.645 -0.525 19625
206 1 . 1 1 37 37 TYR HA H 37 3.580 3.580 4.146 -0.566 19625
207 1 . 1 1 37 37 TYR C C 37 178.270 178.270 176.806 1.464 19625
208 1 . 1 1 37 37 TYR CA C 37 63.000 63.000 61.132 1.868 19625
209 1 . 1 1 37 37 TYR CB C 37 39.660 39.660 38.571 1.089 19625
210 1 . 1 1 37 37 TYR H H 37 7.560 7.560 7.446 0.114 19625
211 1 . 1 1 38 38 ALA N N 38 122.290 122.290 121.165 1.125 19625
212 1 . 1 1 38 38 ALA HA H 38 3.920 3.920 4.267 -0.347 19625
213 1 . 1 1 38 38 ALA C C 38 178.770 178.770 179.676 -0.906 19625
214 1 . 1 1 38 38 ALA CA C 38 56.100 56.100 55.500 0.600 19625
215 1 . 1 1 38 38 ALA CB C 38 18.900 18.900 18.390 0.510 19625
216 1 . 1 1 38 38 ALA H H 38 8.740 8.740 9.012 -0.272 19625
217 1 . 1 1 39 39 ARG N N 39 117.070 117.070 116.848 0.222 19625
218 1 . 1 1 39 39 ARG HA H 39 3.940 3.940 4.081 -0.141 19625
219 1 . 1 1 39 39 ARG C C 39 180.550 180.550 178.282 2.268 19625
220 1 . 1 1 39 39 ARG CA C 39 60.200 60.200 58.251 1.949 19625
221 1 . 1 1 39 39 ARG CB C 39 30.600 30.600 30.042 0.558 19625
222 1 . 1 1 39 39 ARG H H 39 8.390 8.390 8.370 0.020 19625
223 1 . 1 1 40 40 ARG N N 40 118.990 118.990 118.637 0.353 19625
224 1 . 1 1 40 40 ARG HA H 40 3.850 3.850 4.061 -0.211 19625
225 1 . 1 1 40 40 ARG C C 40 177.010 177.010 177.713 -0.703 19625
226 1 . 1 1 40 40 ARG CA C 40 59.500 59.500 58.140 1.360 19625
227 1 . 1 1 40 40 ARG CB C 40 30.700 30.700 29.556 1.144 19625
228 1 . 1 1 40 40 ARG H H 40 8.030 8.030 7.735 0.295 19625
229 1 . 1 1 41 41 ASN N N 41 113.570 113.570 115.682 -2.112 19625
230 1 . 1 1 41 41 ASN HA H 41 4.320 4.320 4.437 -0.117 19625
231 1 . 1 1 41 41 ASN C C 41 173.550 173.550 175.281 -1.731 19625
232 1 . 1 1 41 41 ASN CA C 41 54.400 54.400 53.794 0.606 19625
233 1 . 1 1 41 41 ASN CB C 41 40.700 40.700 39.954 0.746 19625
234 1 . 1 1 41 41 ASN H H 41 7.020 7.020 7.951 -0.931 19625
235 1 . 1 1 42 42 GLY N N 42 106.670 106.670 107.926 -1.256 19625
236 1 . 1 1 42 42 GLY C C 42 174.120 174.120 173.429 0.691 19625
237 1 . 1 1 42 42 GLY CA C 42 47.300 47.300 44.648 2.652 19625
238 1 . 1 1 42 42 GLY H H 42 7.230 7.230 7.748 -0.518 19625
239 1 . 1 1 43 43 PHE N N 43 119.360 119.360 119.728 -0.368 19625
240 1 . 1 1 43 43 PHE HA H 43 4.340 4.340 4.698 -0.358 19625
241 1 . 1 1 43 43 PHE C C 43 174.900 174.900 175.313 -0.413 19625
242 1 . 1 1 43 43 PHE CA C 43 59.000 59.000 56.820 2.180 19625
243 1 . 1 1 43 43 PHE CB C 43 39.500 39.500 40.423 -0.923 19625
244 1 . 1 1 43 43 PHE H H 43 7.870 7.870 8.271 -0.401 19625
245 1 . 1 1 44 44 GLU N N 44 119.760 119.760 122.017 -2.257 19625
246 1 . 1 1 44 44 GLU HA H 44 4.370 4.370 4.510 -0.140 19625
247 1 . 1 1 44 44 GLU C C 44 175.870 175.870 176.301 -0.431 19625
248 1 . 1 1 44 44 GLU CA C 44 55.510 55.510 54.512 0.998 19625
249 1 . 1 1 44 44 GLU CB C 44 33.700 33.700 31.481 2.219 19625
250 1 . 1 1 44 44 GLU H H 44 8.510 8.510 8.717 -0.207 19625
251 1 . 1 1 45 45 ASN N N 45 118.280 118.280 115.400 2.880 19625
252 1 . 1 1 45 45 ASN HA H 45 4.160 4.160 4.349 -0.189 19625
253 1 . 1 1 45 45 ASN C C 45 174.730 174.730 174.530 0.200 19625
254 1 . 1 1 45 45 ASN CA C 45 54.200 54.200 54.396 -0.196 19625
255 1 . 1 1 45 45 ASN CB C 45 37.700 37.700 36.978 0.722 19625
256 1 . 1 1 45 45 ASN H H 45 8.710 8.710 8.784 -0.074 19625
257 1 . 1 1 46 46 ILE N N 46 117.440 117.440 119.123 -1.683 19625
258 1 . 1 1 46 46 ILE HA H 46 4.380 4.380 3.813 0.567 19625
259 1 . 1 1 46 46 ILE C C 46 177.370 177.370 175.468 1.903 19625
260 1 . 1 1 46 46 ILE CA C 46 62.300 62.300 62.385 -0.085 19625
261 1 . 1 1 46 46 ILE CB C 46 39.900 39.900 36.166 3.733 19625
262 1 . 1 1 46 46 ILE H H 46 7.840 7.840 8.160 -0.320 19625
263 1 . 1 1 47 47 ARG N N 47 126.600 126.600 128.147 -1.547 19625
264 1 . 1 1 47 47 ARG HA H 47 4.250 4.250 4.346 -0.096 19625
265 1 . 1 1 47 47 ARG C C 47 173.900 173.900 174.744 -0.844 19625
266 1 . 1 1 47 47 ARG CA C 47 55.900 55.900 54.425 1.475 19625
267 1 . 1 1 47 47 ARG CB C 47 35.100 35.100 31.564 3.536 19625
268 1 . 1 1 47 47 ARG H H 47 8.440 8.440 8.031 0.409 19625
269 1 . 1 1 48 48 HIS N N 48 122.600 122.600 123.858 -1.258 19625
270 1 . 1 1 48 48 HIS HA H 48 5.180 5.180 4.847 0.333 19625
271 1 . 1 1 48 48 HIS C C 48 175.370 175.370 174.873 0.497 19625
272 1 . 1 1 48 48 HIS CA C 48 57.500 57.500 55.414 2.086 19625
273 1 . 1 1 48 48 HIS CB C 48 32.500 32.500 30.063 2.437 19625
274 1 . 1 1 48 48 HIS H H 48 8.530 8.530 8.636 -0.106 19625
275 1 . 1 1 49 49 PHE N N 49 124.090 124.090 126.652 -2.562 19625
276 1 . 1 1 49 49 PHE HA H 49 4.480 4.480 4.803 -0.323 19625
277 1 . 1 1 49 49 PHE C C 49 173.760 173.760 174.936 -1.176 19625
278 1 . 1 1 49 49 PHE CA C 49 58.400 58.400 56.569 1.831 19625
279 1 . 1 1 49 49 PHE CB C 49 42.500 42.500 38.812 3.688 19625
280 1 . 1 1 49 49 PHE H H 49 9.340 9.340 9.547 -0.207 19625
281 1 . 1 1 50 50 THR N N 50 117.900 117.900 118.317 -0.417 19625
282 1 . 1 1 50 50 THR HA H 50 4.720 4.720 4.495 0.225 19625
283 1 . 1 1 50 50 THR C C 50 172.640 172.640 173.933 -1.293 19625
284 1 . 1 1 50 50 THR CA C 50 63.200 63.200 62.393 0.807 19625
285 1 . 1 1 50 50 THR CB C 50 72.300 72.300 70.226 2.074 19625
286 1 . 1 1 50 50 THR H H 50 8.530 8.530 8.447 0.083 19625
287 1 . 1 1 51 51 ASP N N 51 127.240 127.240 123.874 3.366 19625
288 1 . 1 1 51 51 ASP HA H 51 5.270 5.270 4.365 0.905 19625
289 1 . 1 1 51 51 ASP C C 51 173.530 173.530 173.998 -0.468 19625
290 1 . 1 1 51 51 ASP CA C 51 55.000 55.000 52.889 2.110 19625
291 1 . 1 1 51 51 ASP CB C 51 44.300 44.300 43.222 1.078 19625
292 1 . 1 1 51 51 ASP H H 51 8.560 8.560 8.347 0.213 19625
293 1 . 1 1 52 52 ASP N N 52 125.700 125.700 122.501 3.199 19625
294 1 . 1 1 52 52 ASP HA H 52 4.510 4.510 4.474 0.036 19625
295 1 . 1 1 52 52 ASP C C 52 175.090 175.090 175.945 -0.855 19625
296 1 . 1 1 52 52 ASP CA C 52 54.850 54.850 54.141 0.709 19625
297 1 . 1 1 52 52 ASP CB C 52 42.100 42.100 42.195 -0.095 19625
298 1 . 1 1 52 52 ASP H H 52 9.210 9.210 7.206 2.004 19625
299 1 . 1 1 53 53 GLY N N 53 113.640 113.640 112.755 0.885 19625
300 1 . 1 1 53 53 GLY C C 53 173.950 173.950 174.445 -0.495 19625
301 1 . 1 1 53 53 GLY CA C 53 46.600 46.600 45.734 0.866 19625
302 1 . 1 1 53 53 GLY H H 53 8.660 8.660 8.417 0.243 19625
303 1 . 1 1 54 54 PHE N N 54 116.490 116.490 119.750 -3.260 19625
304 1 . 1 1 54 54 PHE HA H 54 4.480 4.480 4.645 -0.165 19625
305 1 . 1 1 54 54 PHE C C 54 174.240 174.240 176.435 -2.195 19625
306 1 . 1 1 54 54 PHE CA C 54 58.200 58.200 56.252 1.948 19625
307 1 . 1 1 54 54 PHE CB C 54 42.900 42.900 39.058 3.842 19625
308 1 . 1 1 54 54 PHE H H 54 6.780 6.780 8.061 -1.281 19625
309 1 . 1 1 55 55 SER N N 55 118.160 118.160 118.446 -0.286 19625
310 1 . 1 1 55 55 SER HA H 55 4.190 4.190 4.579 -0.389 19625
311 1 . 1 1 55 55 SER C C 55 175.490 175.490 175.131 0.359 19625
312 1 . 1 1 55 55 SER CA C 55 59.000 59.000 58.398 0.602 19625
313 1 . 1 1 55 55 SER CB C 55 63.600 63.600 64.514 -0.914 19625
314 1 . 1 1 55 55 SER H H 55 8.620 8.620 8.652 -0.032 19625
315 1 . 1 1 56 56 GLY N N 56 113.640 113.640 109.767 3.873 19625
316 1 . 1 1 56 56 GLY CA C 56 45.800 45.800 45.140 0.660 19625
317 1 . 1 1 56 56 GLY H H 56 8.990 8.990 8.691 0.299 19625
318 1 . 1 1 57 57 VAL N N 57 118.020 118.020 117.176 0.844 19625
319 1 . 1 1 57 57 VAL HA H 57 3.620 3.620 4.146 -0.526 19625
320 1 . 1 1 57 57 VAL C C 57 173.800 173.800 175.597 -1.797 19625
321 1 . 1 1 57 57 VAL CA C 57 64.550 64.550 61.959 2.591 19625
322 1 . 1 1 57 57 VAL CB C 57 32.610 32.610 32.589 0.021 19625
323 1 . 1 1 57 57 VAL H H 57 8.250 8.250 7.714 0.536 19625
324 1 . 1 1 58 58 ASN N N 58 112.780 112.780 116.075 -3.295 19625
325 1 . 1 1 58 58 ASN HA H 58 4.480 4.480 4.275 0.204 19625
326 1 . 1 1 58 58 ASN C C 58 174.310 174.310 174.065 0.245 19625
327 1 . 1 1 58 58 ASN CA C 58 52.520 52.520 53.086 -0.566 19625
328 1 . 1 1 58 58 ASN CB C 58 41.900 41.900 38.258 3.643 19625
329 1 . 1 1 58 58 ASN H H 58 6.830 6.830 7.777 -0.947 19625
330 1 . 1 1 59 59 PHE N N 59 118.570 118.570 119.612 -1.042 19625
331 1 . 1 1 59 59 PHE HA H 59 3.940 3.940 3.635 0.305 19625
332 1 . 1 1 59 59 PHE C C 59 175.310 175.310 174.767 0.542 19625
333 1 . 1 1 59 59 PHE CA C 59 59.300 59.300 57.477 1.823 19625
334 1 . 1 1 59 59 PHE CB C 59 38.600 38.600 39.114 -0.514 19625
335 1 . 1 1 59 59 PHE H H 59 8.950 8.950 7.992 0.958 19625
336 1 . 1 1 60 60 ASN N N 60 124.690 124.690 116.349 8.341 19625
337 1 . 1 1 60 60 ASN HA H 60 4.730 4.730 4.313 0.417 19625
338 1 . 1 1 60 60 ASN C C 60 172.860 172.860 173.211 -0.351 19625
339 1 . 1 1 60 60 ASN CA C 60 53.000 53.000 53.342 -0.342 19625
340 1 . 1 1 60 60 ASN CB C 60 37.100 37.100 37.909 -0.809 19625
341 1 . 1 1 60 60 ASN H H 60 8.620 8.620 7.658 0.962 19625
342 1 . 1 1 61 61 ARG N N 61 119.260 119.260 118.641 0.619 19625
343 1 . 1 1 61 61 ARG HA H 61 4.400 4.400 4.641 -0.241 19625
344 1 . 1 1 61 61 ARG CA C 61 50.590 50.590 53.512 -2.922 19625
345 1 . 1 1 61 61 ARG CB C 61 32.060 32.060 30.229 1.831 19625
346 1 . 1 1 61 61 ARG H H 61 7.440 7.440 7.787 -0.347 19625
347 1 . 1 1 62 62 PRO HA H 62 4.150 4.150 4.404 -0.254 19625
348 1 . 1 1 62 62 PRO C C 62 179.790 179.790 178.670 1.120 19625
349 1 . 1 1 62 62 PRO CA C 62 66.200 66.200 66.047 0.153 19625
350 1 . 1 1 62 62 PRO CB C 62 32.900 32.900 32.062 0.838 19625
351 1 . 1 1 63 63 GLY N N 63 117.020 117.020 106.935 10.085 19625
352 1 . 1 1 63 63 GLY C C 63 176.580 176.580 176.503 0.077 19625
353 1 . 1 1 63 63 GLY CA C 63 47.700 47.700 47.355 0.345 19625
354 1 . 1 1 63 63 GLY H H 63 10.740 10.740 8.996 1.744 19625
355 1 . 1 1 64 64 PHE N N 64 125.390 125.390 122.672 2.718 19625
356 1 . 1 1 64 64 PHE HA H 64 3.560 3.560 4.084 -0.524 19625
357 1 . 1 1 64 64 PHE C C 64 176.330 176.330 176.712 -0.382 19625
358 1 . 1 1 64 64 PHE CA C 64 63.300 63.300 59.929 3.371 19625
359 1 . 1 1 64 64 PHE CB C 64 40.600 40.600 38.792 1.808 19625
360 1 . 1 1 64 64 PHE H H 64 9.180 9.180 8.149 1.031 19625
361 1 . 1 1 65 65 GLN N N 65 115.560 115.560 118.532 -2.973 19625
362 1 . 1 1 65 65 GLN HA H 65 3.690 3.690 3.993 -0.303 19625
363 1 . 1 1 65 65 GLN C C 65 179.240 179.240 178.778 0.462 19625
364 1 . 1 1 65 65 GLN CA C 65 60.100 60.100 59.317 0.783 19625
365 1 . 1 1 65 65 GLN CB C 65 28.400 28.400 28.220 0.180 19625
366 1 . 1 1 65 65 GLN H H 65 8.480 8.480 9.000 -0.520 19625
367 1 . 1 1 66 66 SER N N 66 116.700 116.700 115.812 0.888 19625
368 1 . 1 1 66 66 SER HA H 66 4.080 4.080 4.272 -0.192 19625
369 1 . 1 1 66 66 SER C C 66 175.920 175.920 176.233 -0.313 19625
370 1 . 1 1 66 66 SER CA C 66 62.930 62.930 61.848 1.082 19625
371 1 . 1 1 66 66 SER CB C 66 63.880 63.880 63.291 0.589 19625
372 1 . 1 1 66 66 SER H H 66 8.010 8.010 7.645 0.365 19625
373 1 . 1 1 67 67 LEU N N 67 124.100 124.100 122.722 1.378 19625
374 1 . 1 1 67 67 LEU HA H 67 2.820 2.820 2.479 0.341 19625
375 1 . 1 1 67 67 LEU C C 67 177.790 177.790 178.021 -0.231 19625
376 1 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.126 1.274 19625
377 1 . 1 1 67 67 LEU CB C 67 41.100 41.100 40.606 0.494 19625
378 1 . 1 1 67 67 LEU H H 67 7.830 7.830 7.353 0.477 19625
379 1 . 1 1 68 68 ILE N N 68 118.610 118.610 118.893 -0.283 19625
380 1 . 1 1 68 68 ILE HA H 68 3.240 3.240 3.479 -0.239 19625
381 1 . 1 1 68 68 ILE C C 68 177.730 177.730 177.415 0.316 19625
382 1 . 1 1 68 68 ILE CA C 68 62.100 62.100 63.718 -1.618 19625
383 1 . 1 1 68 68 ILE CB C 68 35.100 35.100 37.077 -1.977 19625
384 1 . 1 1 68 68 ILE H H 68 8.030 8.030 8.323 -0.293 19625
385 1 . 1 1 69 69 LYS N N 69 120.680 120.680 120.642 0.038 19625
386 1 . 1 1 69 69 LYS HA H 69 3.900 3.900 4.077 -0.177 19625
387 1 . 1 1 69 69 LYS C C 69 180.050 180.050 178.885 1.165 19625
388 1 . 1 1 69 69 LYS CA C 69 60.800 60.800 59.831 0.969 19625
389 1 . 1 1 69 69 LYS CB C 69 32.600 32.600 31.885 0.715 19625
390 1 . 1 1 69 69 LYS H H 69 7.500 7.500 8.120 -0.620 19625
391 1 . 1 1 70 70 GLU N N 70 118.700 118.700 118.374 0.326 19625
392 1 . 1 1 70 70 GLU HA H 70 4.060 4.060 4.146 -0.086 19625
393 1 . 1 1 70 70 GLU C C 70 178.860 178.860 178.882 -0.022 19625
394 1 . 1 1 70 70 GLU CA C 70 59.500 59.500 58.940 0.560 19625
395 1 . 1 1 70 70 GLU CB C 70 29.700 29.700 29.368 0.332 19625
396 1 . 1 1 70 70 GLU H H 70 7.300 7.300 7.692 -0.392 19625
397 1 . 1 1 71 71 VAL N N 71 121.570 121.570 119.540 2.030 19625
398 1 . 1 1 71 71 VAL HA H 71 3.480 3.480 3.457 0.023 19625
399 1 . 1 1 71 71 VAL C C 71 180.380 180.380 178.316 2.064 19625
400 1 . 1 1 71 71 VAL CA C 71 66.100 66.100 66.479 -0.379 19625
401 1 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.251 0.949 19625
402 1 . 1 1 71 71 VAL H H 71 8.380 8.380 7.448 0.932 19625
403 1 . 1 1 72 72 GLU N N 72 120.090 120.090 120.197 -0.107 19625
404 1 . 1 1 72 72 GLU HA H 72 3.560 3.560 4.030 -0.470 19625
405 1 . 1 1 72 72 GLU C C 72 177.470 177.470 178.426 -0.956 19625
406 1 . 1 1 72 72 GLU CA C 72 60.800 60.800 58.912 1.888 19625
407 1 . 1 1 72 72 GLU CB C 72 30.440 30.440 29.021 1.419 19625
408 1 . 1 1 72 72 GLU H H 72 9.010 9.010 8.578 0.432 19625
409 1 . 1 1 73 73 ALA N N 73 118.560 118.560 120.630 -2.070 19625
410 1 . 1 1 73 73 ALA HA H 73 4.120 4.120 4.235 -0.115 19625
411 1 . 1 1 73 73 ALA C C 73 177.350 177.350 178.023 -0.673 19625
412 1 . 1 1 73 73 ALA CA C 73 53.400 53.400 52.337 1.063 19625
413 1 . 1 1 73 73 ALA CB C 73 20.000 20.000 18.956 1.044 19625
414 1 . 1 1 73 73 ALA H H 73 7.320 7.320 7.622 -0.302 19625
415 1 . 1 1 74 74 GLY N N 74 105.060 105.060 106.474 -1.414 19625
416 1 . 1 1 74 74 GLY C C 74 176.280 176.280 174.114 2.166 19625
417 1 . 1 1 74 74 GLY CA C 74 46.500 46.500 45.182 1.318 19625
418 1 . 1 1 74 74 GLY H H 74 7.690 7.690 7.599 0.091 19625
419 1 . 1 1 75 75 ASN N N 75 115.690 115.690 117.141 -1.451 19625
420 1 . 1 1 75 75 ASN HA H 75 4.700 4.700 4.798 -0.098 19625
421 1 . 1 1 75 75 ASN C C 75 174.100 174.100 175.650 -1.550 19625
422 1 . 1 1 75 75 ASN CA C 75 54.400 54.400 53.532 0.868 19625
423 1 . 1 1 75 75 ASN CB C 75 40.600 40.600 40.310 0.289 19625
424 1 . 1 1 75 75 ASN H H 75 7.710 7.710 8.548 -0.838 19625
425 1 . 1 1 76 76 VAL N N 76 120.710 120.710 123.945 -3.235 19625
426 1 . 1 1 76 76 VAL HA H 76 3.950 3.950 3.966 -0.016 19625
427 1 . 1 1 76 76 VAL C C 76 173.190 173.190 175.654 -2.464 19625
428 1 . 1 1 76 76 VAL CA C 76 62.700 62.700 63.060 -0.360 19625
429 1 . 1 1 76 76 VAL CB C 76 34.200 34.200 30.954 3.246 19625
430 1 . 1 1 76 76 VAL H H 76 8.150 8.150 7.230 0.920 19625
431 1 . 1 1 77 77 GLU N N 77 127.930 127.930 126.160 1.770 19625
432 1 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.540 -0.220 19625
433 1 . 1 1 77 77 GLU C C 77 175.850 175.850 175.959 -0.109 19625
434 1 . 1 1 77 77 GLU CA C 77 58.600 58.600 56.686 1.914 19625
435 1 . 1 1 77 77 GLU CB C 77 32.100 32.100 30.546 1.554 19625
436 1 . 1 1 77 77 GLU H H 77 9.040 9.040 9.110 -0.070 19625
437 1 . 1 1 78 78 THR N N 78 115.080 115.080 113.093 1.987 19625
438 1 . 1 1 78 78 THR HA H 78 5.010 5.010 4.658 0.352 19625
439 1 . 1 1 78 78 THR C C 78 170.340 170.340 172.007 -1.667 19625
440 1 . 1 1 78 78 THR CA C 78 61.500 61.500 61.371 0.129 19625
441 1 . 1 1 78 78 THR CB C 78 72.100 72.100 71.837 0.263 19625
442 1 . 1 1 78 78 THR H H 78 7.150 7.150 7.339 -0.189 19625
443 1 . 1 1 79 79 LEU N N 79 130.190 130.190 124.925 5.265 19625
444 1 . 1 1 79 79 LEU HA H 79 5.110 5.110 4.896 0.214 19625
445 1 . 1 1 79 79 LEU C C 79 172.640 172.640 174.053 -1.413 19625
446 1 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.249 0.951 19625
447 1 . 1 1 79 79 LEU CB C 79 46.300 46.300 44.670 1.630 19625
448 1 . 1 1 79 79 LEU H H 79 8.810 8.810 8.520 0.290 19625
449 1 . 1 1 80 80 ILE N N 80 125.290 125.290 127.346 -2.056 19625
450 1 . 1 1 80 80 ILE HA H 80 4.890 4.890 4.085 0.805 19625
451 1 . 1 1 80 80 ILE C C 80 174.260 174.260 173.934 0.326 19625
452 1 . 1 1 80 80 ILE CA C 80 60.500 60.500 60.019 0.481 19625
453 1 . 1 1 80 80 ILE CB C 80 40.600 40.600 39.371 1.229 19625
454 1 . 1 1 80 80 ILE H H 80 8.760 8.760 9.184 -0.424 19625
455 1 . 1 1 81 81 VAL N N 81 114.530 114.530 126.316 -11.786 19625
456 1 . 1 1 81 81 VAL HA H 81 4.910 4.910 4.867 0.043 19625
457 1 . 1 1 81 81 VAL C C 81 175.310 175.310 176.371 -1.061 19625
458 1 . 1 1 81 81 VAL CA C 81 59.100 59.100 59.669 -0.569 19625
459 1 . 1 1 81 81 VAL CB C 81 37.600 37.600 35.516 2.083 19625
460 1 . 1 1 81 81 VAL H H 81 8.030 8.030 8.745 -0.716 19625
461 1 . 1 1 82 82 LYS N N 82 122.730 122.730 123.249 -0.519 19625
462 1 . 1 1 82 82 LYS HA H 82 3.650 3.650 4.038 -0.388 19625
463 1 . 1 1 82 82 LYS C C 82 174.470 174.470 175.263 -0.794 19625
464 1 . 1 1 82 82 LYS CA C 82 61.500 61.500 59.026 2.474 19625
465 1 . 1 1 82 82 LYS CB C 82 34.300 34.300 32.853 1.447 19625
466 1 . 1 1 82 82 LYS H H 82 9.540 9.540 8.917 0.623 19625
467 1 . 1 1 83 83 ASP N N 83 108.020 108.020 111.344 -3.324 19625
468 1 . 1 1 83 83 ASP HA H 83 4.560 4.560 4.715 -0.155 19625
469 1 . 1 1 83 83 ASP C C 83 175.310 175.310 176.670 -1.360 19625
470 1 . 1 1 83 83 ASP CA C 83 53.800 53.800 53.209 0.591 19625
471 1 . 1 1 83 83 ASP CB C 83 44.400 44.400 42.487 1.913 19625
472 1 . 1 1 83 83 ASP H H 83 7.080 7.080 7.717 -0.637 19625
473 1 . 1 1 84 84 MET N N 84 120.990 120.990 119.063 1.927 19625
474 1 . 1 1 84 84 MET HA H 84 4.190 4.190 4.372 -0.182 19625
475 1 . 1 1 84 84 MET C C 84 177.910 177.910 177.477 0.433 19625
476 1 . 1 1 84 84 MET CA C 84 59.000 59.000 57.350 1.650 19625
477 1 . 1 1 84 84 MET CB C 84 32.460 32.460 31.703 0.757 19625
478 1 . 1 1 84 84 MET H H 84 9.290 9.290 8.801 0.489 19625
479 1 . 1 1 85 85 SER N N 85 113.930 113.930 115.823 -1.893 19625
480 1 . 1 1 85 85 SER HA H 85 4.310 4.310 4.226 0.084 19625
481 1 . 1 1 85 85 SER C C 85 177.010 177.010 176.416 0.594 19625
482 1 . 1 1 85 85 SER CA C 85 61.700 61.700 61.017 0.683 19625
483 1 . 1 1 85 85 SER CB C 85 63.900 63.900 62.877 1.022 19625
484 1 . 1 1 85 85 SER H H 85 8.520 8.520 8.060 0.460 19625
485 1 . 1 1 86 86 ARG N N 86 120.920 120.920 121.925 -1.004 19625
486 1 . 1 1 86 86 ARG HA H 86 3.720 3.720 4.113 -0.393 19625
487 1 . 1 1 86 86 ARG C C 86 179.510 179.510 178.298 1.212 19625
488 1 . 1 1 86 86 ARG CA C 86 59.360 59.360 58.577 0.783 19625
489 1 . 1 1 86 86 ARG CB C 86 33.580 33.580 30.025 3.555 19625
490 1 . 1 1 86 86 ARG H H 86 7.990 7.990 7.767 0.222 19625
491 1 . 1 1 87 87 LEU N N 87 117.290 117.290 116.726 0.564 19625
492 1 . 1 1 87 87 LEU HA H 87 3.910 3.910 3.962 -0.052 19625
493 1 . 1 1 87 87 LEU C C 87 177.080 177.080 176.606 0.474 19625
494 1 . 1 1 87 87 LEU CA C 87 59.100 59.100 56.166 2.934 19625
495 1 . 1 1 87 87 LEU CB C 87 43.700 43.700 42.881 0.819 19625
496 1 . 1 1 87 87 LEU H H 87 7.400 7.400 8.166 -0.766 19625
497 1 . 1 1 88 88 GLY N N 88 102.420 102.420 104.142 -1.722 19625
498 1 . 1 1 88 88 GLY C C 88 169.840 169.840 173.554 -3.714 19625
499 1 . 1 1 88 88 GLY CA C 88 46.200 46.200 44.446 1.754 19625
500 1 . 1 1 88 88 GLY H H 88 7.430 7.430 7.483 -0.053 19625
501 1 . 1 1 89 89 ARG N N 89 115.910 115.910 119.471 -3.561 19625
502 1 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.220 -0.180 19625
503 1 . 1 1 89 89 ARG C C 89 177.540 177.540 176.437 1.103 19625
504 1 . 1 1 89 89 ARG CA C 89 57.000 57.000 57.080 -0.080 19625
505 1 . 1 1 89 89 ARG CB C 89 32.610 32.610 30.402 2.208 19625
506 1 . 1 1 89 89 ARG H H 89 7.160 7.160 8.564 -1.404 19625
507 1 . 1 1 90 90 ASN N N 90 117.420 117.420 120.131 -2.711 19625
508 1 . 1 1 90 90 ASN HA H 90 4.620 4.620 4.624 -0.004 19625
509 1 . 1 1 90 90 ASN C C 90 175.420 175.420 175.510 -0.090 19625
510 1 . 1 1 90 90 ASN CA C 90 53.350 53.350 53.074 0.276 19625
511 1 . 1 1 90 90 ASN CB C 90 39.460 39.460 37.140 2.320 19625
512 1 . 1 1 90 90 ASN H H 90 7.930 7.930 8.267 -0.337 19625
513 1 . 1 1 91 91 TYR N N 91 126.420 126.420 124.980 1.440 19625
514 1 . 1 1 91 91 TYR HA H 91 3.990 3.990 4.196 -0.206 19625
515 1 . 1 1 91 91 TYR C C 91 177.470 177.470 176.788 0.682 19625
516 1 . 1 1 91 91 TYR CA C 91 61.970 61.970 61.492 0.478 19625
517 1 . 1 1 91 91 TYR CB C 91 38.290 38.290 38.578 -0.288 19625
518 1 . 1 1 91 91 TYR H H 91 8.590 8.590 8.398 0.192 19625
519 1 . 1 1 92 92 LEU N N 92 121.090 121.090 120.345 0.745 19625
520 1 . 1 1 92 92 LEU HA H 92 3.840 3.840 3.971 -0.131 19625
521 1 . 1 1 92 92 LEU C C 92 179.580 179.580 178.829 0.751 19625
522 1 . 1 1 92 92 LEU CA C 92 58.500 58.500 58.522 -0.022 19625
523 1 . 1 1 92 92 LEU CB C 92 42.200 42.200 41.158 1.042 19625
524 1 . 1 1 92 92 LEU H H 92 7.860 7.860 8.081 -0.221 19625
525 1 . 1 1 93 93 GLN N N 93 117.490 117.490 118.284 -0.794 19625
526 1 . 1 1 93 93 GLN HA H 93 3.940 3.940 3.912 0.028 19625
527 1 . 1 1 93 93 GLN C C 93 178.630 178.630 178.862 -0.232 19625
528 1 . 1 1 93 93 GLN CA C 93 58.800 58.800 58.577 0.223 19625
529 1 . 1 1 93 93 GLN CB C 93 30.100 30.100 28.173 1.927 19625
530 1 . 1 1 93 93 GLN H H 93 7.350 7.350 7.834 -0.483 19625
531 1 . 1 1 94 94 VAL N N 94 118.580 118.580 119.151 -0.571 19625
532 1 . 1 1 94 94 VAL HA H 94 3.520 3.520 3.999 -0.479 19625
533 1 . 1 1 94 94 VAL C C 94 177.420 177.420 177.941 -0.521 19625
534 1 . 1 1 94 94 VAL CA C 94 67.500 67.500 66.591 0.909 19625
535 1 . 1 1 94 94 VAL CB C 94 32.800 32.800 31.053 1.747 19625
536 1 . 1 1 94 94 VAL H H 94 8.230 8.230 8.531 -0.301 19625
537 1 . 1 1 95 95 GLY N N 95 106.450 106.450 107.615 -1.165 19625
538 1 . 1 1 95 95 GLY C C 95 174.810 174.810 175.511 -0.701 19625
539 1 . 1 1 95 95 GLY CA C 95 46.800 46.800 46.699 0.101 19625
540 1 . 1 1 95 95 GLY H H 95 7.760 7.760 7.734 0.026 19625
541 1 . 1 1 96 96 PHE N N 96 120.590 120.590 123.399 -2.809 19625
542 1 . 1 1 96 96 PHE HA H 96 3.790 3.790 3.942 -0.152 19625
543 1 . 1 1 96 96 PHE C C 96 176.780 176.780 176.593 0.187 19625
544 1 . 1 1 96 96 PHE CA C 96 62.100 62.100 60.676 1.424 19625
545 1 . 1 1 96 96 PHE CB C 96 39.300 39.300 38.607 0.693 19625
546 1 . 1 1 96 96 PHE H H 96 7.000 7.000 7.938 -0.938 19625
547 1 . 1 1 97 97 TYR N N 97 116.700 116.700 116.901 -0.201 19625
548 1 . 1 1 97 97 TYR HA H 97 2.930 2.930 3.826 -0.896 19625
549 1 . 1 1 97 97 TYR C C 97 175.500 175.500 177.470 -1.970 19625
550 1 . 1 1 97 97 TYR CA C 97 62.700 62.700 62.021 0.679 19625
551 1 . 1 1 97 97 TYR CB C 97 37.800 37.800 37.481 0.319 19625
552 1 . 1 1 97 97 TYR H H 97 7.030 7.030 7.896 -0.866 19625
553 1 . 1 1 98 98 THR N N 98 104.710 104.710 109.562 -4.852 19625
554 1 . 1 1 98 98 THR HA H 98 3.390 3.390 3.515 -0.125 19625
555 1 . 1 1 98 98 THR C C 98 176.830 176.830 175.897 0.933 19625
556 1 . 1 1 98 98 THR CA C 98 65.200 65.200 64.727 0.473 19625
557 1 . 1 1 98 98 THR CB C 98 68.800 68.800 68.515 0.285 19625
558 1 . 1 1 98 98 THR H H 98 7.540 7.540 7.345 0.195 19625
559 1 . 1 1 99 99 GLU N N 99 116.670 116.670 119.377 -2.707 19625
560 1 . 1 1 99 99 GLU HA H 99 4.210 4.210 4.276 -0.066 19625
561 1 . 1 1 99 99 GLU C C 99 176.820 176.820 177.245 -0.425 19625
562 1 . 1 1 99 99 GLU CA C 99 57.200 57.200 57.853 -0.653 19625
563 1 . 1 1 99 99 GLU CB C 99 30.700 30.700 30.169 0.531 19625
564 1 . 1 1 99 99 GLU H H 99 8.390 8.390 8.222 0.168 19625
565 1 . 1 1 100 100 VAL N N 100 117.330 117.330 118.169 -0.839 19625
566 1 . 1 1 100 100 VAL HA H 100 3.820 3.820 3.972 -0.152 19625
567 1 . 1 1 100 100 VAL C C 100 176.200 176.200 176.574 -0.374 19625
568 1 . 1 1 100 100 VAL CA C 100 65.000 65.000 63.336 1.665 19625
569 1 . 1 1 100 100 VAL CB C 100 32.700 32.700 32.729 -0.029 19625
570 1 . 1 1 100 100 VAL H H 100 6.590 6.590 7.476 -0.886 19625
571 1 . 1 1 101 101 LEU N N 101 120.390 120.390 121.088 -0.698 19625
572 1 . 1 1 101 101 LEU HA H 101 3.620 3.620 3.961 -0.341 19625
573 1 . 1 1 101 101 LEU C C 101 177.510 177.510 179.424 -1.914 19625
574 1 . 1 1 101 101 LEU CA C 101 59.700 59.700 57.941 1.759 19625
575 1 . 1 1 101 101 LEU CB C 101 43.110 43.110 41.438 1.672 19625
576 1 . 1 1 101 101 LEU H H 101 7.180 7.180 7.742 -0.562 19625
577 1 . 1 1 102 102 PHE N N 102 114.030 114.030 117.521 -3.491 19625
578 1 . 1 1 102 102 PHE HA H 102 4.350 4.350 4.479 -0.129 19625
579 1 . 1 1 102 102 PHE CA C 102 59.610 59.610 60.188 -0.578 19625
580 1 . 1 1 102 102 PHE CB C 102 33.770 33.770 35.298 -1.528 19625
581 1 . 1 1 102 102 PHE H H 102 8.660 8.660 9.134 -0.474 19625
582 1 . 1 1 103 103 PRO HA H 103 4.230 4.230 4.112 0.118 19625
583 1 . 1 1 103 103 PRO C C 103 180.710 180.710 178.942 1.768 19625
584 1 . 1 1 103 103 PRO CA C 103 66.800 66.800 66.118 0.682 19625
585 1 . 1 1 103 103 PRO CB C 103 31.660 31.660 31.112 0.548 19625
586 1 . 1 1 104 104 GLN N N 104 117.110 117.110 116.853 0.257 19625
587 1 . 1 1 104 104 GLN HA H 104 3.880 3.880 4.042 -0.162 19625
588 1 . 1 1 104 104 GLN C C 104 177.700 177.700 177.274 0.426 19625
589 1 . 1 1 104 104 GLN CA C 104 59.700 59.700 58.252 1.448 19625
590 1 . 1 1 104 104 GLN CB C 104 29.400 29.400 28.379 1.021 19625
591 1 . 1 1 104 104 GLN H H 104 7.290 7.290 7.976 -0.686 19625
592 1 . 1 1 105 105 LYS N N 105 115.380 115.380 114.295 1.086 19625
593 1 . 1 1 105 105 LYS HA H 105 4.320 4.320 4.522 -0.202 19625
594 1 . 1 1 105 105 LYS C C 105 174.880 174.880 175.583 -0.703 19625
595 1 . 1 1 105 105 LYS CA C 105 53.800 53.800 54.693 -0.893 19625
596 1 . 1 1 105 105 LYS CB C 105 31.700 31.700 32.851 -1.151 19625
597 1 . 1 1 105 105 LYS H H 105 7.650 7.650 7.925 -0.275 19625
598 1 . 1 1 106 106 ASN N N 106 116.100 116.100 117.915 -1.815 19625
599 1 . 1 1 106 106 ASN HA H 106 4.140 4.140 4.326 -0.187 19625
600 1 . 1 1 106 106 ASN C C 106 173.400 173.400 173.495 -0.095 19625
601 1 . 1 1 106 106 ASN CA C 106 55.200 55.200 53.877 1.323 19625
602 1 . 1 1 106 106 ASN CB C 106 37.800 37.800 38.290 -0.490 19625
603 1 . 1 1 106 106 ASN H H 106 7.730 7.730 8.005 -0.275 19625
604 1 . 1 1 107 107 VAL N N 107 119.060 119.060 121.398 -2.338 19625
605 1 . 1 1 107 107 VAL HA H 107 3.730 3.730 4.355 -0.625 19625
606 1 . 1 1 107 107 VAL C C 107 175.280 175.280 175.485 -0.205 19625
607 1 . 1 1 107 107 VAL CA C 107 62.100 62.100 60.694 1.406 19625
608 1 . 1 1 107 107 VAL CB C 107 34.200 34.200 34.128 0.072 19625
609 1 . 1 1 107 107 VAL H H 107 7.970 7.970 8.310 -0.340 19625
610 1 . 1 1 108 108 ARG N N 108 129.920 129.920 127.437 2.483 19625
611 1 . 1 1 108 108 ARG HA H 108 4.170 4.170 4.692 -0.522 19625
612 1 . 1 1 108 108 ARG C C 108 173.020 173.020 174.774 -1.754 19625
613 1 . 1 1 108 108 ARG CA C 108 56.690 56.690 54.438 2.252 19625
614 1 . 1 1 108 108 ARG CB C 108 31.100 31.100 30.741 0.359 19625
615 1 . 1 1 108 108 ARG H H 108 8.230 8.230 8.313 -0.083 19625
616 1 . 1 1 109 109 PHE N N 109 129.390 129.390 125.096 4.294 19625
617 1 . 1 1 109 109 PHE HA H 109 5.110 5.110 4.921 0.189 19625
618 1 . 1 1 109 109 PHE CA C 109 57.130 57.130 58.472 -1.342 19625
619 1 . 1 1 109 109 PHE CB C 109 42.890 42.890 40.990 1.900 19625
620 1 . 1 1 109 109 PHE H H 109 8.550 8.550 8.821 -0.271 19625
621 1 . 1 1 110 110 LEU N N 110 130.220 130.220 126.591 3.629 19625
622 1 . 1 1 110 110 LEU HA H 110 4.090 4.090 4.830 -0.741 19625
623 1 . 1 1 110 110 LEU C C 110 172.360 172.360 173.922 -1.562 19625
624 1 . 1 1 110 110 LEU CA C 110 54.610 54.610 53.866 0.744 19625
625 1 . 1 1 110 110 LEU CB C 110 46.700 46.700 45.674 1.026 19625
626 1 . 1 1 110 110 LEU H H 110 8.290 8.290 8.679 -0.389 19625
627 1 . 1 1 111 111 ALA N N 111 123.890 123.890 130.020 -6.130 19625
628 1 . 1 1 111 111 ALA HA H 111 4.580 4.580 4.992 -0.412 19625
629 1 . 1 1 111 111 ALA C C 111 177.470 177.470 177.669 -0.199 19625
630 1 . 1 1 111 111 ALA CA C 111 49.800 49.800 50.932 -1.131 19625
631 1 . 1 1 111 111 ALA CB C 111 20.000 20.000 19.902 0.098 19625
632 1 . 1 1 111 111 ALA H H 111 7.590 7.590 8.578 -0.988 19625
633 1 . 1 1 112 112 ILE N N 112 121.690 121.690 124.907 -3.217 19625
634 1 . 1 1 112 112 ILE HA H 112 3.140 3.140 3.719 -0.579 19625
635 1 . 1 1 112 112 ILE C C 112 177.350 177.350 177.329 0.021 19625
636 1 . 1 1 112 112 ILE CA C 112 66.300 66.300 64.775 1.525 19625
637 1 . 1 1 112 112 ILE CB C 112 39.040 39.040 38.489 0.551 19625
638 1 . 1 1 112 112 ILE H H 112 7.700 7.700 8.339 -0.639 19625
639 1 . 1 1 113 113 ASN N N 113 116.220 116.220 117.485 -1.265 19625
640 1 . 1 1 113 113 ASN HA H 113 4.740 4.740 4.730 0.010 19625
641 1 . 1 1 113 113 ASN C C 113 175.110 175.110 174.244 0.866 19625
642 1 . 1 1 113 113 ASN CA C 113 53.610 53.610 53.837 -0.227 19625
643 1 . 1 1 113 113 ASN CB C 113 39.660 39.660 38.860 0.800 19625
644 1 . 1 1 113 113 ASN H H 113 8.350 8.350 8.389 -0.039 19625
645 1 . 1 1 114 114 ASN N N 114 118.560 118.560 116.419 2.141 19625
646 1 . 1 1 114 114 ASN HA H 114 4.600 4.600 4.730 -0.130 19625
647 1 . 1 1 114 114 ASN C C 114 174.870 174.870 173.444 1.426 19625
648 1 . 1 1 114 114 ASN CA C 114 54.340 54.340 53.004 1.336 19625
649 1 . 1 1 114 114 ASN CB C 114 40.600 40.600 40.661 -0.061 19625
650 1 . 1 1 114 114 ASN H H 114 8.110 8.110 7.604 0.506 19625
651 1 . 1 1 115 115 SER N N 115 114.600 114.600 116.638 -2.038 19625
652 1 . 1 1 115 115 SER HA H 115 4.320 4.320 4.531 -0.212 19625
653 1 . 1 1 115 115 SER C C 115 174.120 174.120 174.952 -0.831 19625
654 1 . 1 1 115 115 SER CA C 115 59.260 59.260 58.602 0.658 19625
655 1 . 1 1 115 115 SER CB C 115 64.200 64.200 63.279 0.921 19625
656 1 . 1 1 115 115 SER H H 115 8.010 8.010 8.647 -0.637 19625
657 1 . 1 1 116 116 ILE N N 116 121.020 121.020 125.842 -4.822 19625
658 1 . 1 1 116 116 ILE HA H 116 4.020 4.020 3.919 0.101 19625
659 1 . 1 1 116 116 ILE C C 116 175.590 175.590 175.990 -0.400 19625
660 1 . 1 1 116 116 ILE CA C 116 62.190 62.190 63.218 -1.028 19625
661 1 . 1 1 116 116 ILE CB C 116 39.900 39.900 38.125 1.775 19625
662 1 . 1 1 116 116 ILE H H 116 7.920 7.920 8.666 -0.746 19625
663 1 . 1 1 117 117 ASP N N 117 124.190 124.190 116.117 8.073 19625
664 1 . 1 1 117 117 ASP HA H 117 4.590 4.590 4.748 -0.158 19625
665 1 . 1 1 117 117 ASP C C 117 174.870 174.870 175.330 -0.460 19625
666 1 . 1 1 117 117 ASP CA C 117 54.780 54.780 53.935 0.845 19625
667 1 . 1 1 117 117 ASP CB C 117 42.490 42.490 41.445 1.045 19625
668 1 . 1 1 117 117 ASP H H 117 8.160 8.160 8.241 -0.081 19625
669 1 . 1 1 118 118 SER N N 118 116.920 116.920 115.575 1.345 19625
670 1 . 1 1 118 118 SER HA H 118 4.250 4.250 4.522 -0.272 19625
671 1 . 1 1 118 118 SER C C 118 174.260 174.260 174.027 0.233 19625
672 1 . 1 1 118 118 SER CA C 118 59.770 59.770 58.614 1.156 19625
673 1 . 1 1 118 118 SER CB C 118 64.500 64.500 64.125 0.375 19625
674 1 . 1 1 118 118 SER H H 118 8.220 8.220 8.149 0.071 19625
675 1 . 1 1 119 119 ASN N N 119 120.830 120.830 120.192 0.637 19625
676 1 . 1 1 119 119 ASN HA H 119 4.580 4.580 4.760 -0.180 19625
677 1 . 1 1 119 119 ASN C C 119 174.120 174.120 174.499 -0.379 19625
678 1 . 1 1 119 119 ASN CA C 119 54.200 54.200 53.412 0.788 19625
679 1 . 1 1 119 119 ASN CB C 119 39.700 39.700 39.310 0.390 19625
680 1 . 1 1 119 119 ASN H H 119 8.330 8.330 8.595 -0.265 19625
stop_
save_