data_18032
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18032
_Entry.PDB_ID 2LL8
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 18032
_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 THR HA H 2 4.580 4.580 4.676 -0.096 18032
2 1 1 . 1 1 2 2 THR C C 2 174.500 174.500 173.105 1.395 18032
3 1 1 . 1 1 2 2 THR CA C 2 61.700 61.700 62.037 -0.337 18032
4 1 1 . 1 1 2 2 THR CB C 2 70.400 70.400 69.905 0.495 18032
5 1 1 . 1 1 3 3 SER N N 3 120.600 120.600 122.076 -1.476 18032
6 1 1 . 1 1 3 3 SER HA H 3 4.770 4.770 4.801 -0.031 18032
7 1 1 . 1 1 3 3 SER C C 3 175.100 175.100 175.542 -0.442 18032
8 1 1 . 1 1 3 3 SER CA C 3 58.300 58.300 58.072 0.228 18032
9 1 1 . 1 1 3 3 SER CB C 3 65.000 65.000 64.678 0.322 18032
10 1 1 . 1 1 3 3 SER H H 3 9.090 9.090 8.475 0.615 18032
11 1 1 . 1 1 4 4 THR N N 4 120.500 120.500 118.373 2.127 18032
12 1 1 . 1 1 4 4 THR HA H 4 4.230 4.230 4.369 -0.139 18032
13 1 1 . 1 1 4 4 THR C C 4 176.200 176.200 176.501 -0.301 18032
14 1 1 . 1 1 4 4 THR CA C 4 67.700 67.700 67.037 0.663 18032
15 1 1 . 1 1 4 4 THR CB C 4 67.500 67.500 68.721 -1.221 18032
16 1 1 . 1 1 4 4 THR H H 4 8.890 8.890 8.689 0.201 18032
17 1 1 . 1 1 5 5 PHE N N 5 121.100 121.100 121.828 -0.728 18032
18 1 1 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.300 -0.500 18032
19 1 1 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.389 1.311 18032
20 1 1 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.381 0.319 18032
21 1 1 . 1 1 5 5 PHE H H 5 9.110 9.110 8.442 0.668 18032
22 1 1 . 1 1 6 6 ASP N N 6 119.800 119.800 118.355 1.445 18032
23 1 1 . 1 1 6 6 ASP HA H 6 3.840 3.840 3.878 -0.038 18032
24 1 1 . 1 1 6 6 ASP C C 6 179.200 179.200 178.396 0.804 18032
25 1 1 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.096 -0.196 18032
26 1 1 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.196 0.705 18032
27 1 1 . 1 1 6 6 ASP H H 6 8.120 8.120 8.318 -0.198 18032
28 1 1 . 1 1 7 7 ARG N N 7 119.200 119.200 119.681 -0.481 18032
29 1 1 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.041 0.029 18032
30 1 1 . 1 1 7 7 ARG C C 7 179.400 179.400 178.723 0.677 18032
31 1 1 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.479 0.821 18032
32 1 1 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.726 1.374 18032
33 1 1 . 1 1 7 7 ARG H H 7 8.020 8.020 8.011 0.009 18032
34 1 1 . 1 1 8 8 VAL N N 8 120.600 120.600 120.006 0.594 18032
35 1 1 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.670 -0.160 18032
36 1 1 . 1 1 8 8 VAL C C 8 176.800 176.800 177.969 -1.169 18032
37 1 1 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.613 0.387 18032
38 1 1 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.559 0.041 18032
39 1 1 . 1 1 8 8 VAL H H 8 8.520 8.520 8.227 0.293 18032
40 1 1 . 1 1 9 9 ALA N N 9 122.800 122.800 120.872 1.928 18032
41 1 1 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.952 -0.282 18032
42 1 1 . 1 1 9 9 ALA C C 9 179.000 179.000 179.538 -0.538 18032
43 1 1 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.280 0.520 18032
44 1 1 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.811 -0.611 18032
45 1 1 . 1 1 9 9 ALA H H 9 8.920 8.920 8.181 0.739 18032
46 1 1 . 1 1 10 10 THR N N 10 114.300 114.300 116.426 -2.126 18032
47 1 1 . 1 1 10 10 THR HA H 10 3.800 3.800 3.924 -0.124 18032
48 1 1 . 1 1 10 10 THR C C 10 175.500 175.500 176.526 -1.026 18032
49 1 1 . 1 1 10 10 THR CA C 10 67.400 67.400 67.422 -0.022 18032
50 1 1 . 1 1 10 10 THR CB C 10 68.900 68.900 68.766 0.133 18032
51 1 1 . 1 1 10 10 THR H H 10 7.790 7.790 7.757 0.033 18032
52 1 1 . 1 1 11 11 ILE N N 11 122.100 122.100 121.587 0.513 18032
53 1 1 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.677 0.203 18032
54 1 1 . 1 1 11 11 ILE C C 11 179.700 179.700 177.902 1.798 18032
55 1 1 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.479 0.021 18032
56 1 1 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.588 1.012 18032
57 1 1 . 1 1 11 11 ILE H H 11 7.760 7.760 7.849 -0.089 18032
58 1 1 . 1 1 12 12 ILE N N 12 123.100 123.100 120.040 3.060 18032
59 1 1 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.675 -0.265 18032
60 1 1 . 1 1 12 12 ILE C C 12 176.800 176.800 177.664 -0.864 18032
61 1 1 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.250 1.750 18032
62 1 1 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.524 0.376 18032
63 1 1 . 1 1 12 12 ILE H H 12 8.750 8.750 8.003 0.747 18032
64 1 1 . 1 1 13 13 ALA N N 13 122.600 122.600 122.797 -0.197 18032
65 1 1 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.263 0.017 18032
66 1 1 . 1 1 13 13 ALA C C 13 180.700 180.700 180.153 0.547 18032
67 1 1 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.063 0.637 18032
68 1 1 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.279 0.321 18032
69 1 1 . 1 1 13 13 ALA H H 13 8.430 8.430 7.883 0.547 18032
70 1 1 . 1 1 14 14 GLU N N 14 114.500 114.500 118.072 -3.572 18032
71 1 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.101 0.089 18032
72 1 1 . 1 1 14 14 GLU C C 14 179.100 179.100 178.872 0.228 18032
73 1 1 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.792 -0.392 18032
74 1 1 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.455 0.545 18032
75 1 1 . 1 1 14 14 GLU H H 14 8.290 8.290 8.309 -0.019 18032
76 1 1 . 1 1 15 15 THR N N 15 115.500 115.500 113.909 1.591 18032
77 1 1 . 1 1 15 15 THR HA H 15 4.080 4.080 4.187 -0.107 18032
78 1 1 . 1 1 15 15 THR C C 15 176.200 176.200 176.197 0.003 18032
79 1 1 . 1 1 15 15 THR CA C 15 66.500 66.500 65.069 1.431 18032
80 1 1 . 1 1 15 15 THR CB C 15 69.400 69.400 69.798 -0.398 18032
81 1 1 . 1 1 15 15 THR H H 15 8.390 8.390 8.037 0.353 18032
82 1 1 . 1 1 16 16 CYS N N 16 116.000 116.000 117.350 -1.350 18032
83 1 1 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.695 -0.125 18032
84 1 1 . 1 1 16 16 CYS C C 16 173.700 173.700 173.600 0.100 18032
85 1 1 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.060 1.140 18032
86 1 1 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.428 1.172 18032
87 1 1 . 1 1 16 16 CYS H H 16 8.130 8.130 7.991 0.139 18032
88 1 1 . 1 1 17 17 ASP N N 17 119.900 119.900 120.559 -0.659 18032
89 1 1 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.498 -0.088 18032
90 1 1 . 1 1 17 17 ASP C C 17 174.700 174.700 174.681 0.019 18032
91 1 1 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.134 0.066 18032
92 1 1 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.746 -0.846 18032
93 1 1 . 1 1 17 17 ASP H H 17 7.740 7.740 7.888 -0.148 18032
94 1 1 . 1 1 18 18 ILE N N 18 119.100 119.100 121.554 -2.454 18032
95 1 1 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.600 -0.010 18032
96 1 1 . 1 1 18 18 ILE C C 18 179.400 179.400 173.836 5.564 18032
97 1 1 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.754 1.046 18032
98 1 1 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.027 2.973 18032
99 1 1 . 1 1 18 18 ILE H H 18 7.410 7.410 7.557 -0.147 18032
100 1 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.584 -0.214 18032
101 1 1 . 1 1 19 19 PRO CA C 19 63.100 63.100 62.740 0.360 18032
102 1 1 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.829 -0.729 18032
103 1 1 . 1 1 20 20 ARG N N 20 129.100 129.100 125.400 3.700 18032
104 1 1 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.972 -0.112 18032
105 1 1 . 1 1 20 20 ARG C C 20 178.500 178.500 178.539 -0.039 18032
106 1 1 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.364 -0.564 18032
107 1 1 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.878 -0.378 18032
108 1 1 . 1 1 20 20 ARG H H 20 9.150 9.150 8.713 0.437 18032
109 1 1 . 1 1 21 21 GLU N N 21 117.300 117.300 115.340 1.960 18032
110 1 1 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.153 0.147 18032
111 1 1 . 1 1 21 21 GLU C C 21 177.200 177.200 177.158 0.042 18032
112 1 1 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.712 -0.112 18032
113 1 1 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.964 -0.464 18032
114 1 1 . 1 1 21 21 GLU H H 21 9.820 9.820 8.564 1.256 18032
115 1 1 . 1 1 22 22 THR N N 22 110.200 110.200 109.571 0.629 18032
116 1 1 . 1 1 22 22 THR HA H 22 4.340 4.340 4.443 -0.103 18032
117 1 1 . 1 1 22 22 THR C C 22 173.000 173.000 174.740 -1.740 18032
118 1 1 . 1 1 22 22 THR CA C 22 62.300 62.300 61.323 0.977 18032
119 1 1 . 1 1 22 22 THR CB C 22 70.000 70.000 69.239 0.761 18032
120 1 1 . 1 1 22 22 THR H H 22 7.780 7.780 7.559 0.221 18032
121 1 1 . 1 1 23 23 ILE N N 23 122.600 122.600 125.536 -2.936 18032
122 1 1 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.509 -0.509 18032
123 1 1 . 1 1 23 23 ILE C C 23 174.700 174.700 174.852 -0.152 18032
124 1 1 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.334 2.266 18032
125 1 1 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.648 -0.148 18032
126 1 1 . 1 1 23 23 ILE H H 23 7.590 7.590 7.361 0.229 18032
127 1 1 . 1 1 24 24 THR N N 24 118.600 118.600 118.487 0.113 18032
128 1 1 . 1 1 24 24 THR HA H 24 5.290 5.290 4.888 0.402 18032
129 1 1 . 1 1 24 24 THR CA C 24 59.000 59.000 58.865 0.135 18032
130 1 1 . 1 1 24 24 THR CB C 24 69.800 69.800 69.339 0.461 18032
131 1 1 . 1 1 24 24 THR H H 24 8.580 8.580 8.393 0.187 18032
132 1 1 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.211 0.559 18032
133 1 1 . 1 1 25 25 PRO C C 25 176.200 176.200 177.257 -1.057 18032
134 1 1 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.454 0.446 18032
135 1 1 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.525 0.275 18032
136 1 1 . 1 1 26 26 GLU N N 26 110.900 110.900 115.301 -4.401 18032
137 1 1 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.321 -0.151 18032
138 1 1 . 1 1 26 26 GLU C C 26 176.900 176.900 175.837 1.063 18032
139 1 1 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.264 1.036 18032
140 1 1 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.980 0.520 18032
141 1 1 . 1 1 26 26 GLU H H 26 7.380 7.380 8.362 -0.982 18032
142 1 1 . 1 1 27 27 SER N N 27 118.100 118.100 115.918 2.182 18032
143 1 1 . 1 1 27 27 SER HA H 27 4.300 4.300 4.465 -0.165 18032
144 1 1 . 1 1 27 27 SER C C 27 172.100 172.100 173.619 -1.519 18032
145 1 1 . 1 1 27 27 SER CA C 27 61.000 61.000 57.787 3.213 18032
146 1 1 . 1 1 27 27 SER CB C 27 64.200 64.200 64.476 -0.276 18032
147 1 1 . 1 1 27 27 SER H H 27 8.040 8.040 7.279 0.761 18032
148 1 1 . 1 1 28 28 HIS N N 28 128.200 128.200 126.865 1.335 18032
149 1 1 . 1 1 28 28 HIS HA H 28 4.740 4.740 5.051 -0.311 18032
150 1 1 . 1 1 28 28 HIS C C 28 178.200 178.200 175.993 2.207 18032
151 1 1 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.279 0.021 18032
152 1 1 . 1 1 28 28 HIS CB C 28 32.600 32.600 30.854 1.746 18032
153 1 1 . 1 1 28 28 HIS H H 28 10.680 10.680 8.860 1.820 18032
154 1 1 . 1 1 29 29 ALA N N 29 130.100 130.100 131.513 -1.413 18032
155 1 1 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.104 -0.154 18032
156 1 1 . 1 1 29 29 ALA C C 29 175.700 175.700 178.291 -2.591 18032
157 1 1 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.649 0.251 18032
158 1 1 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.124 -0.324 18032
159 1 1 . 1 1 29 29 ALA H H 29 9.270 9.270 8.759 0.511 18032
160 1 1 . 1 1 30 30 ILE N N 30 113.300 113.300 115.959 -2.659 18032
161 1 1 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.361 -0.151 18032
162 1 1 . 1 1 30 30 ILE C C 30 177.200 177.200 177.734 -0.534 18032
163 1 1 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.686 -0.786 18032
164 1 1 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.541 0.559 18032
165 1 1 . 1 1 30 30 ILE H H 30 8.540 8.540 7.510 1.030 18032
166 1 1 . 1 1 31 31 ASP N N 31 120.600 120.600 119.259 1.341 18032
167 1 1 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.422 -0.242 18032
168 1 1 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.124 0.376 18032
169 1 1 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.199 -1.199 18032
170 1 1 . 1 1 31 31 ASP H H 31 8.480 8.480 8.575 -0.095 18032
171 1 1 . 1 1 32 32 ASP N N 32 114.200 114.200 118.820 -4.620 18032
172 1 1 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.601 0.459 18032
173 1 1 . 1 1 32 32 ASP C C 32 177.500 177.500 178.300 -0.800 18032
174 1 1 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.214 -0.214 18032
175 1 1 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.801 0.399 18032
176 1 1 . 1 1 32 32 ASP H H 32 8.450 8.450 8.141 0.309 18032
177 1 1 . 1 1 33 33 LEU N N 33 114.000 114.000 118.643 -4.643 18032
178 1 1 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.323 0.147 18032
179 1 1 . 1 1 33 33 LEU C C 33 177.400 177.400 177.394 0.006 18032
180 1 1 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.501 -0.601 18032
181 1 1 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.597 -1.397 18032
182 1 1 . 1 1 33 33 LEU H H 33 7.230 7.230 7.898 -0.668 18032
183 1 1 . 1 1 34 34 GLY N N 34 107.000 107.000 106.834 0.166 18032
184 1 1 . 1 1 34 34 GLY C C 34 174.500 174.500 174.409 0.091 18032
185 1 1 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.245 1.655 18032
186 1 1 . 1 1 34 34 GLY H H 34 7.330 7.330 8.145 -0.815 18032
187 1 1 . 1 1 35 35 ILE N N 35 120.700 120.700 120.688 0.012 18032
188 1 1 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.211 -0.101 18032
189 1 1 . 1 1 35 35 ILE C C 35 175.300 175.300 175.218 0.082 18032
190 1 1 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.282 1.718 18032
191 1 1 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.803 -1.903 18032
192 1 1 . 1 1 35 35 ILE H H 35 7.820 7.820 7.586 0.234 18032
193 1 1 . 1 1 36 36 ASP N N 36 126.800 126.800 127.383 -0.583 18032
194 1 1 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.537 0.303 18032
195 1 1 . 1 1 36 36 ASP C C 36 177.100 177.100 177.187 -0.087 18032
196 1 1 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.135 -1.535 18032
197 1 1 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.806 -0.305 18032
198 1 1 . 1 1 36 36 ASP H H 36 8.780 8.780 8.461 0.319 18032
199 1 1 . 1 1 37 37 SER N N 37 114.000 114.000 118.976 -4.976 18032
200 1 1 . 1 1 37 37 SER HA H 37 4.170 4.170 4.230 -0.060 18032
201 1 1 . 1 1 37 37 SER C C 37 175.700 175.700 176.664 -0.964 18032
202 1 1 . 1 1 37 37 SER CA C 37 60.700 60.700 60.834 -0.134 18032
203 1 1 . 1 1 37 37 SER CB C 37 65.800 65.800 62.887 2.913 18032
204 1 1 . 1 1 37 37 SER H H 37 8.750 8.750 8.586 0.164 18032
205 1 1 . 1 1 38 38 LEU N N 38 123.200 123.200 121.789 1.411 18032
206 1 1 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.109 0.111 18032
207 1 1 . 1 1 38 38 LEU C C 38 180.200 180.200 178.596 1.604 18032
208 1 1 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.990 -0.190 18032
209 1 1 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.693 -0.693 18032
210 1 1 . 1 1 38 38 LEU H H 38 8.030 8.030 8.357 -0.327 18032
211 1 1 . 1 1 39 39 ASP N N 39 121.500 121.500 119.244 2.256 18032
212 1 1 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.428 0.012 18032
213 1 1 . 1 1 39 39 ASP C C 39 179.000 179.000 178.756 0.244 18032
214 1 1 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.957 -0.757 18032
215 1 1 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.615 0.585 18032
216 1 1 . 1 1 39 39 ASP H H 39 8.390 8.390 8.227 0.163 18032
217 1 1 . 1 1 40 40 PHE N N 40 118.900 118.900 120.572 -1.672 18032
218 1 1 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.315 -0.265 18032
219 1 1 . 1 1 40 40 PHE C C 40 177.500 177.500 176.710 0.790 18032
220 1 1 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.792 1.008 18032
221 1 1 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.366 -0.966 18032
222 1 1 . 1 1 40 40 PHE H H 40 8.640 8.640 8.241 0.399 18032
223 1 1 . 1 1 41 41 LEU N N 41 118.800 118.800 120.512 -1.712 18032
224 1 1 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.708 0.272 18032
225 1 1 . 1 1 41 41 LEU C C 41 179.300 179.300 178.774 0.526 18032
226 1 1 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.400 -0.000 18032
227 1 1 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.298 -0.298 18032
228 1 1 . 1 1 41 41 LEU H H 41 7.660 7.660 7.815 -0.155 18032
229 1 1 . 1 1 42 42 ASP N N 42 119.700 119.700 119.834 -0.134 18032
230 1 1 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.463 0.127 18032
231 1 1 . 1 1 42 42 ASP C C 42 179.800 179.800 179.227 0.573 18032
232 1 1 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.878 -0.278 18032
233 1 1 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.757 -0.457 18032
234 1 1 . 1 1 42 42 ASP H H 42 7.320 7.320 7.755 -0.435 18032
235 1 1 . 1 1 43 43 ILE N N 43 122.700 122.700 119.910 2.790 18032
236 1 1 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.779 -0.259 18032
237 1 1 . 1 1 43 43 ILE C C 43 177.100 177.100 177.892 -0.792 18032
238 1 1 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.892 0.308 18032
239 1 1 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.778 0.122 18032
240 1 1 . 1 1 43 43 ILE H H 43 8.090 8.090 7.728 0.362 18032
241 1 1 . 1 1 44 44 ALA N N 44 122.600 122.600 122.509 0.091 18032
242 1 1 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.949 -0.089 18032
243 1 1 . 1 1 44 44 ALA C C 44 178.500 178.500 179.678 -1.178 18032
244 1 1 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.646 1.054 18032
245 1 1 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.786 0.514 18032
246 1 1 . 1 1 44 44 ALA H H 44 8.830 8.830 7.682 1.148 18032
247 1 1 . 1 1 45 45 PHE N N 45 117.300 117.300 118.404 -1.104 18032
248 1 1 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.243 0.257 18032
249 1 1 . 1 1 45 45 PHE C C 45 178.300 178.300 177.313 0.987 18032
250 1 1 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.033 -0.433 18032
251 1 1 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.557 0.143 18032
252 1 1 . 1 1 45 45 PHE H H 45 8.090 8.090 8.531 -0.441 18032
253 1 1 . 1 1 46 46 ALA N N 46 121.600 121.600 123.419 -1.819 18032
254 1 1 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.120 0.050 18032
255 1 1 . 1 1 46 46 ALA C C 46 181.400 181.400 179.747 1.653 18032
256 1 1 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.084 -0.084 18032
257 1 1 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.061 1.139 18032
258 1 1 . 1 1 46 46 ALA H H 46 7.780 7.780 7.692 0.088 18032
259 1 1 . 1 1 47 47 ILE N N 47 122.900 122.900 118.947 3.953 18032
260 1 1 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.774 0.006 18032
261 1 1 . 1 1 47 47 ILE C C 47 177.000 177.000 177.406 -0.406 18032
262 1 1 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.794 0.206 18032
263 1 1 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.628 0.372 18032
264 1 1 . 1 1 47 47 ILE H H 47 8.960 8.960 8.266 0.694 18032
265 1 1 . 1 1 48 48 ASP N N 48 123.900 123.900 120.472 3.428 18032
266 1 1 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.260 0.110 18032
267 1 1 . 1 1 48 48 ASP C C 48 180.200 180.200 178.594 1.606 18032
268 1 1 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.121 -0.421 18032
269 1 1 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.853 -0.553 18032
270 1 1 . 1 1 48 48 ASP H H 48 8.950 8.950 8.031 0.919 18032
271 1 1 . 1 1 49 49 LYS N N 49 117.500 117.500 117.924 -0.424 18032
272 1 1 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.141 -0.121 18032
273 1 1 . 1 1 49 49 LYS C C 49 178.800 178.800 179.146 -0.346 18032
274 1 1 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.636 -0.036 18032
275 1 1 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.500 0.100 18032
276 1 1 . 1 1 49 49 LYS H H 49 7.590 7.590 7.830 -0.240 18032
277 1 1 . 1 1 50 50 ALA N N 50 121.100 121.100 122.537 -1.437 18032
278 1 1 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.131 -0.101 18032
279 1 1 . 1 1 50 50 ALA C C 50 179.400 179.400 179.355 0.045 18032
280 1 1 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.596 0.004 18032
281 1 1 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.577 0.523 18032
282 1 1 . 1 1 50 50 ALA H H 50 8.180 8.180 7.602 0.578 18032
283 1 1 . 1 1 51 51 PHE N N 51 111.600 111.600 115.552 -3.952 18032
284 1 1 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.459 0.081 18032
285 1 1 . 1 1 51 51 PHE C C 51 176.200 176.200 176.007 0.193 18032
286 1 1 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.579 -0.179 18032
287 1 1 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.192 1.308 18032
288 1 1 . 1 1 51 51 PHE H H 51 8.620 8.620 8.218 0.402 18032
289 1 1 . 1 1 52 52 GLY N N 52 112.100 112.100 108.035 4.065 18032
290 1 1 . 1 1 52 52 GLY C C 52 174.900 174.900 174.102 0.798 18032
291 1 1 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.620 1.880 18032
292 1 1 . 1 1 52 52 GLY H H 52 8.140 8.140 7.815 0.325 18032
293 1 1 . 1 1 53 53 ILE N N 53 111.000 111.000 114.238 -3.238 18032
294 1 1 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.535 0.135 18032
295 1 1 . 1 1 53 53 ILE C C 53 173.500 173.500 174.457 -0.957 18032
296 1 1 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.589 0.011 18032
297 1 1 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.910 2.990 18032
298 1 1 . 1 1 53 53 ILE H H 53 7.520 7.520 7.710 -0.190 18032
299 1 1 . 1 1 54 54 LYS N N 54 119.600 119.600 120.680 -1.080 18032
300 1 1 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.724 -0.114 18032
301 1 1 . 1 1 54 54 LYS C C 54 175.900 175.900 175.751 0.149 18032
302 1 1 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.792 -1.492 18032
303 1 1 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.866 -0.866 18032
304 1 1 . 1 1 54 54 LYS H H 54 7.940 7.940 8.191 -0.251 18032
305 1 1 . 1 1 55 55 LEU N N 55 130.800 130.800 127.649 3.151 18032
306 1 1 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.397 -0.547 18032
307 1 1 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.226 1.074 18032
308 1 1 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.937 0.063 18032
309 1 1 . 1 1 55 55 LEU H H 55 10.700 10.700 8.154 2.546 18032
310 1 1 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.263 0.337 18032
311 1 1 . 1 1 56 56 PRO C C 56 174.600 174.600 175.988 -1.388 18032
312 1 1 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.932 -0.432 18032
313 1 1 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.152 -2.652 18032
314 1 1 . 1 1 57 57 LEU N N 57 121.300 121.300 123.117 -1.817 18032
315 1 1 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.656 -0.246 18032
316 1 1 . 1 1 57 57 LEU C C 57 179.100 179.100 178.199 0.901 18032
317 1 1 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.518 0.682 18032
318 1 1 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.526 0.574 18032
319 1 1 . 1 1 57 57 LEU H H 57 7.490 7.490 7.385 0.105 18032
320 1 1 . 1 1 58 58 GLU N N 58 119.200 119.200 119.176 0.024 18032
321 1 1 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.018 -0.038 18032
322 1 1 . 1 1 58 58 GLU C C 58 178.500 178.500 178.743 -0.243 18032
323 1 1 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.746 0.154 18032
324 1 1 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.161 -0.461 18032
325 1 1 . 1 1 58 58 GLU H H 58 8.860 8.860 8.478 0.382 18032
326 1 1 . 1 1 59 59 LYS N N 59 122.100 122.100 119.950 2.150 18032
327 1 1 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.060 0.040 18032
328 1 1 . 1 1 59 59 LYS C C 59 178.700 178.700 179.073 -0.373 18032
329 1 1 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.445 -0.545 18032
330 1 1 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.040 0.160 18032
331 1 1 . 1 1 59 59 LYS H H 59 7.420 7.420 7.989 -0.569 18032
332 1 1 . 1 1 60 60 TRP N N 60 120.000 120.000 118.419 1.581 18032
333 1 1 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.408 -0.208 18032
334 1 1 . 1 1 60 60 TRP C C 60 178.300 178.300 179.492 -1.192 18032
335 1 1 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.510 0.190 18032
336 1 1 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.020 0.580 18032
337 1 1 . 1 1 60 60 TRP H H 60 8.140 8.140 8.217 -0.077 18032
338 1 1 . 1 1 61 61 THR N N 61 113.200 113.200 115.446 -2.246 18032
339 1 1 . 1 1 61 61 THR HA H 61 3.870 3.870 4.301 -0.431 18032
340 1 1 . 1 1 61 61 THR C C 61 176.300 176.300 176.949 -0.649 18032
341 1 1 . 1 1 61 61 THR CA C 61 67.100 67.100 67.168 -0.068 18032
342 1 1 . 1 1 61 61 THR CB C 61 68.900 68.900 68.632 0.268 18032
343 1 1 . 1 1 61 61 THR H H 61 8.390 8.390 8.394 -0.004 18032
344 1 1 . 1 1 62 62 GLN N N 62 122.300 122.300 121.563 0.737 18032
345 1 1 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.170 -0.130 18032
346 1 1 . 1 1 62 62 GLN C C 62 177.900 177.900 178.260 -0.360 18032
347 1 1 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.029 -0.028 18032
348 1 1 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.130 -0.030 18032
349 1 1 . 1 1 62 62 GLN H H 62 7.810 7.810 7.958 -0.148 18032
350 1 1 . 1 1 63 63 GLU N N 63 119.000 119.000 121.172 -2.172 18032
351 1 1 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.094 -0.024 18032
352 1 1 . 1 1 63 63 GLU C C 63 180.000 180.000 179.154 0.846 18032
353 1 1 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.294 0.906 18032
354 1 1 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.760 0.640 18032
355 1 1 . 1 1 63 63 GLU H H 63 8.410 8.410 8.190 0.220 18032
356 1 1 . 1 1 64 64 VAL N N 64 119.600 119.600 119.625 -0.025 18032
357 1 1 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.108 0.012 18032
358 1 1 . 1 1 64 64 VAL C C 64 180.600 180.600 178.735 1.865 18032
359 1 1 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.468 -1.068 18032
360 1 1 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.678 0.222 18032
361 1 1 . 1 1 64 64 VAL H H 64 8.170 8.170 8.164 0.006 18032
362 1 1 . 1 1 65 65 ASN N N 65 121.700 121.700 118.044 3.656 18032
363 1 1 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.659 -0.149 18032
364 1 1 . 1 1 65 65 ASN C C 65 177.300 177.300 176.142 1.158 18032
365 1 1 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.451 0.849 18032
366 1 1 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.477 -0.377 18032
367 1 1 . 1 1 65 65 ASN H H 65 8.550 8.550 8.137 0.413 18032
368 1 1 . 1 1 66 66 ASP N N 66 118.000 118.000 118.793 -0.793 18032
369 1 1 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.766 0.004 18032
370 1 1 . 1 1 66 66 ASP C C 66 177.000 177.000 176.921 0.079 18032
371 1 1 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.778 1.022 18032
372 1 1 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.372 -0.072 18032
373 1 1 . 1 1 66 66 ASP H H 66 8.470 8.470 7.819 0.651 18032
374 1 1 . 1 1 67 67 GLY N N 67 108.600 108.600 107.990 0.610 18032
375 1 1 . 1 1 67 67 GLY C C 67 174.800 174.800 175.754 -0.954 18032
376 1 1 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.837 0.163 18032
377 1 1 . 1 1 67 67 GLY H H 67 8.100 8.100 7.577 0.523 18032
378 1 1 . 1 1 68 68 LYS N N 68 118.900 118.900 118.925 -0.025 18032
379 1 1 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.145 0.165 18032
380 1 1 . 1 1 68 68 LYS C C 68 175.100 175.100 176.482 -1.382 18032
381 1 1 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.526 -1.127 18032
382 1 1 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.068 0.432 18032
383 1 1 . 1 1 68 68 LYS H H 68 8.400 8.400 8.194 0.206 18032
384 1 1 . 1 1 69 69 ALA N N 69 120.400 120.400 120.704 -0.304 18032
385 1 1 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.624 0.006 18032
386 1 1 . 1 1 69 69 ALA C C 69 175.900 175.900 175.796 0.104 18032
387 1 1 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.849 -0.349 18032
388 1 1 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.643 2.357 18032
389 1 1 . 1 1 69 69 ALA H H 69 7.490 7.490 7.514 -0.024 18032
390 1 1 . 1 1 70 70 THR N N 70 109.700 109.700 117.622 -7.922 18032
391 1 1 . 1 1 70 70 THR HA H 70 4.750 4.750 4.335 0.415 18032
392 1 1 . 1 1 70 70 THR C C 70 175.600 175.600 176.328 -0.728 18032
393 1 1 . 1 1 70 70 THR CA C 70 59.600 59.600 62.511 -2.911 18032
394 1 1 . 1 1 70 70 THR CB C 70 70.700 70.700 69.562 1.138 18032
395 1 1 . 1 1 70 70 THR H H 70 7.930 7.930 8.490 -0.560 18032
396 1 1 . 1 1 71 71 THR N N 71 111.300 111.300 117.853 -6.553 18032
397 1 1 . 1 1 71 71 THR HA H 71 4.110 4.110 4.185 -0.075 18032
398 1 1 . 1 1 71 71 THR C C 71 177.500 177.500 176.434 1.066 18032
399 1 1 . 1 1 71 71 THR CA C 71 65.100 65.100 66.458 -1.358 18032
400 1 1 . 1 1 71 71 THR CB C 71 68.900 68.900 68.839 0.061 18032
401 1 1 . 1 1 71 71 THR H H 71 9.030 9.030 8.559 0.471 18032
402 1 1 . 1 1 72 72 GLU N N 72 122.300 122.300 120.756 1.544 18032
403 1 1 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.179 -0.319 18032
404 1 1 . 1 1 72 72 GLU C C 72 177.500 177.500 179.083 -1.583 18032
405 1 1 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.100 0.800 18032
406 1 1 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.370 0.630 18032
407 1 1 . 1 1 72 72 GLU H H 72 8.830 8.830 9.052 -0.222 18032
408 1 1 . 1 1 73 73 GLN N N 73 116.900 116.900 118.816 -1.916 18032
409 1 1 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.835 -0.205 18032
410 1 1 . 1 1 73 73 GLN C C 73 174.000 174.000 176.716 -2.716 18032
411 1 1 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.040 -0.040 18032
412 1 1 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.464 0.136 18032
413 1 1 . 1 1 73 73 GLN H H 73 7.280 7.280 7.512 -0.232 18032
414 1 1 . 1 1 74 74 TYR N N 74 112.700 112.700 112.940 -0.240 18032
415 1 1 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.129 -0.049 18032
416 1 1 . 1 1 74 74 TYR C C 74 173.900 173.900 176.096 -2.196 18032
417 1 1 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.607 -1.807 18032
418 1 1 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.542 0.758 18032
419 1 1 . 1 1 74 74 TYR H H 74 6.310 6.310 7.247 -0.937 18032
420 1 1 . 1 1 75 75 PHE N N 75 108.000 108.000 116.202 -8.202 18032
421 1 1 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.482 0.178 18032
422 1 1 . 1 1 75 75 PHE C C 75 177.900 177.900 174.240 3.660 18032
423 1 1 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.565 -0.165 18032
424 1 1 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.709 0.991 18032
425 1 1 . 1 1 75 75 PHE H H 75 7.760 7.760 7.793 -0.032 18032
426 1 1 . 1 1 76 76 VAL N N 76 120.700 120.700 120.965 -0.265 18032
427 1 1 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.498 0.272 18032
428 1 1 . 1 1 76 76 VAL C C 76 180.000 180.000 176.757 3.243 18032
429 1 1 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.834 1.066 18032
430 1 1 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.257 -1.057 18032
431 1 1 . 1 1 76 76 VAL H H 76 7.010 7.010 7.556 -0.546 18032
432 1 1 . 1 1 77 77 LEU N N 77 131.600 131.600 129.524 2.076 18032
433 1 1 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.079 -0.049 18032
434 1 1 . 1 1 77 77 LEU C C 77 179.000 179.000 179.060 -0.060 18032
435 1 1 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.729 0.371 18032
436 1 1 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.026 -0.026 18032
437 1 1 . 1 1 77 77 LEU H H 77 8.860 8.860 8.936 -0.076 18032
438 1 1 . 1 1 78 78 LYS N N 78 116.700 116.700 119.010 -2.310 18032
439 1 1 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.019 0.191 18032
440 1 1 . 1 1 78 78 LYS C C 78 178.000 178.000 178.829 -0.829 18032
441 1 1 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.118 -0.018 18032
442 1 1 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.667 -0.567 18032
443 1 1 . 1 1 78 78 LYS H H 78 9.540 9.540 8.534 1.006 18032
444 1 1 . 1 1 79 79 ASN N N 79 121.500 121.500 119.720 1.780 18032
445 1 1 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.463 0.187 18032
446 1 1 . 1 1 79 79 ASN C C 79 176.200 176.200 177.522 -1.322 18032
447 1 1 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.681 -1.081 18032
448 1 1 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.960 -0.760 18032
449 1 1 . 1 1 79 79 ASN H H 79 7.340 7.340 7.857 -0.517 18032
450 1 1 . 1 1 80 80 LEU N N 80 124.300 124.300 122.257 2.043 18032
451 1 1 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.105 -0.075 18032
452 1 1 . 1 1 80 80 LEU C C 80 178.700 178.700 178.124 0.576 18032
453 1 1 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.130 0.670 18032
454 1 1 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.752 -0.952 18032
455 1 1 . 1 1 80 80 LEU H H 80 8.260 8.260 8.498 -0.238 18032
456 1 1 . 1 1 81 81 ALA N N 81 118.100 118.100 120.533 -2.433 18032
457 1 1 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.942 -0.072 18032
458 1 1 . 1 1 81 81 ALA C C 81 177.600 177.600 179.084 -1.484 18032
459 1 1 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.013 0.187 18032
460 1 1 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.007 -0.707 18032
461 1 1 . 1 1 81 81 ALA H H 81 8.580 8.580 7.916 0.664 18032
462 1 1 . 1 1 82 82 ALA N N 82 119.800 119.800 120.998 -1.198 18032
463 1 1 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.982 0.228 18032
464 1 1 . 1 1 82 82 ALA C C 82 180.700 180.700 179.416 1.284 18032
465 1 1 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.475 0.925 18032
466 1 1 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.432 -0.532 18032
467 1 1 . 1 1 82 82 ALA H H 82 7.230 7.230 7.721 -0.491 18032
468 1 1 . 1 1 83 83 ARG N N 83 118.300 118.300 119.337 -1.037 18032
469 1 1 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.077 0.263 18032
470 1 1 . 1 1 83 83 ARG C C 83 180.500 180.500 178.987 1.513 18032
471 1 1 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.984 0.516 18032
472 1 1 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.626 2.274 18032
473 1 1 . 1 1 83 83 ARG H H 83 8.510 8.510 7.932 0.578 18032
474 1 1 . 1 1 84 84 ILE N N 84 121.300 121.300 120.308 0.992 18032
475 1 1 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.644 -0.264 18032
476 1 1 . 1 1 84 84 ILE C C 84 177.300 177.300 177.716 -0.416 18032
477 1 1 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.520 0.680 18032
478 1 1 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.428 0.272 18032
479 1 1 . 1 1 84 84 ILE H H 84 8.340 8.340 8.319 0.021 18032
480 1 1 . 1 1 85 85 ASP N N 85 120.200 120.200 119.410 0.790 18032
481 1 1 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.241 0.169 18032
482 1 1 . 1 1 85 85 ASP C C 85 180.200 180.200 178.387 1.813 18032
483 1 1 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.742 0.258 18032
484 1 1 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.864 -1.364 18032
485 1 1 . 1 1 85 85 ASP H H 85 8.330 8.330 7.959 0.371 18032
486 1 1 . 1 1 86 86 GLU N N 86 121.100 121.100 119.619 1.481 18032
487 1 1 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.141 -0.021 18032
488 1 1 . 1 1 86 86 GLU C C 86 179.800 179.800 179.182 0.618 18032
489 1 1 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.202 0.098 18032
490 1 1 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.710 -0.210 18032
491 1 1 . 1 1 86 86 GLU H H 86 8.060 8.060 7.945 0.115 18032
492 1 1 . 1 1 87 87 LEU N N 87 122.700 122.700 118.974 3.726 18032
493 1 1 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.280 -0.080 18032
494 1 1 . 1 1 87 87 LEU C C 87 180.500 180.500 179.402 1.098 18032
495 1 1 . 1 1 87 87 LEU CA C 87 58.200 58.200 56.825 1.375 18032
496 1 1 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.179 -0.079 18032
497 1 1 . 1 1 87 87 LEU H H 87 8.090 8.090 7.717 0.373 18032
498 1 1 . 1 1 88 88 VAL N N 88 122.800 122.800 120.220 2.580 18032
499 1 1 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.662 -0.122 18032
500 1 1 . 1 1 88 88 VAL C C 88 179.200 179.200 177.698 1.502 18032
501 1 1 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.462 0.338 18032
502 1 1 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.506 0.793 18032
503 1 1 . 1 1 88 88 VAL H H 88 9.030 9.030 8.236 0.794 18032
504 1 1 . 1 1 89 89 ALA N N 89 122.900 122.900 122.078 0.822 18032
505 1 1 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.114 0.106 18032
506 1 1 . 1 1 89 89 ALA C C 89 180.000 180.000 178.920 1.080 18032
507 1 1 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.196 -0.496 18032
508 1 1 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.177 -0.176 18032
509 1 1 . 1 1 89 89 ALA H H 89 8.170 8.170 8.183 -0.013 18032
510 1 1 . 1 1 90 90 ALA N N 90 120.100 120.100 119.986 0.114 18032
511 1 1 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.027 0.243 18032
512 1 1 . 1 1 90 90 ALA C C 90 179.200 179.200 179.138 0.062 18032
513 1 1 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.604 -0.704 18032
514 1 1 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.203 0.297 18032
515 1 1 . 1 1 90 90 ALA H H 90 7.820 7.820 7.912 -0.092 18032
516 1 1 . 1 1 91 91 LYS N N 91 118.900 118.900 120.063 -1.163 18032
517 1 1 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.109 0.081 18032
518 1 1 . 1 1 91 91 LYS C C 91 178.400 178.400 178.348 0.052 18032
519 1 1 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.297 0.203 18032
520 1 1 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.489 -0.089 18032
521 1 1 . 1 1 91 91 LYS H H 91 7.660 7.660 7.755 -0.095 18032
522 1 1 . 1 1 92 92 GLY N N 92 107.200 107.200 105.493 1.707 18032
523 1 1 . 1 1 92 92 GLY C C 92 174.700 174.700 174.211 0.489 18032
524 1 1 . 1 1 92 92 GLY CA C 92 46.000 46.000 44.728 1.272 18032
525 1 1 . 1 1 92 92 GLY H H 92 8.090 8.090 7.770 0.320 18032
526 1 1 . 1 1 93 93 ALA N N 93 123.300 123.300 121.076 2.224 18032
527 1 1 . 1 1 93 93 ALA HA H 93 4.320 4.320 3.858 0.462 18032
528 1 1 . 1 1 93 93 ALA C C 93 178.300 178.300 177.361 0.939 18032
529 1 1 . 1 1 93 93 ALA CA C 93 53.100 53.100 53.037 0.063 18032
530 1 1 . 1 1 93 93 ALA CB C 93 19.000 19.000 17.491 1.509 18032
531 1 1 . 1 1 93 93 ALA H H 93 7.900 7.900 7.363 0.537 18032
532 1 1 . 1 1 94 94 LEU N N 94 119.800 119.800 116.520 3.280 18032
533 1 1 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.848 0.442 18032
534 1 1 . 1 1 94 94 LEU C C 94 177.900 177.900 177.159 0.741 18032
535 1 1 . 1 1 94 94 LEU CA C 94 55.900 55.900 56.603 -0.703 18032
536 1 1 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.288 1.012 18032
537 1 1 . 1 1 94 94 LEU H H 94 7.940 7.940 7.743 0.197 18032
538 1 1 . 1 1 95 95 GLU N N 95 120.100 120.100 117.778 2.322 18032
539 1 1 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.217 -0.027 18032
540 1 1 . 1 1 95 95 GLU C C 95 176.500 176.500 175.928 0.572 18032
541 1 1 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.781 0.119 18032
542 1 1 . 1 1 95 95 GLU CB C 95 30.200 30.200 30.071 0.129 18032
543 1 1 . 1 1 95 95 GLU H H 95 8.130 8.130 8.575 -0.445 18032
544 1 1 . 1 1 96 96 HIS N N 96 119.200 119.200 117.792 1.408 18032
545 1 1 . 1 1 96 96 HIS CA C 96 56.300 56.300 55.670 0.630 18032
546 1 1 . 1 1 96 96 HIS CB C 96 30.300 30.300 29.148 1.152 18032
547 1 1 . 1 1 96 96 HIS H H 96 8.160 8.160 7.619 0.541 18032
548 1 2 . 1 1 2 2 THR HA H 2 4.580 4.580 4.595 -0.015 18032
549 1 2 . 1 1 2 2 THR C C 2 174.500 174.500 173.187 1.313 18032
550 1 2 . 1 1 2 2 THR CA C 2 61.700 61.700 61.991 -0.291 18032
551 1 2 . 1 1 2 2 THR CB C 2 70.400 70.400 69.963 0.437 18032
552 1 2 . 1 1 3 3 SER N N 3 120.600 120.600 121.736 -1.136 18032
553 1 2 . 1 1 3 3 SER HA H 3 4.770 4.770 4.946 -0.176 18032
554 1 2 . 1 1 3 3 SER C C 3 175.100 175.100 175.562 -0.462 18032
555 1 2 . 1 1 3 3 SER CA C 3 58.300 58.300 56.892 1.408 18032
556 1 2 . 1 1 3 3 SER CB C 3 65.000 65.000 66.145 -1.145 18032
557 1 2 . 1 1 3 3 SER H H 3 9.090 9.090 8.511 0.579 18032
558 1 2 . 1 1 4 4 THR N N 4 120.500 120.500 118.478 2.022 18032
559 1 2 . 1 1 4 4 THR HA H 4 4.230 4.230 4.461 -0.231 18032
560 1 2 . 1 1 4 4 THR C C 4 176.200 176.200 176.778 -0.578 18032
561 1 2 . 1 1 4 4 THR CA C 4 67.700 67.700 66.936 0.764 18032
562 1 2 . 1 1 4 4 THR CB C 4 67.500 67.500 68.894 -1.394 18032
563 1 2 . 1 1 4 4 THR H H 4 8.890 8.890 8.932 -0.042 18032
564 1 2 . 1 1 5 5 PHE N N 5 121.100 121.100 122.144 -1.044 18032
565 1 2 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.244 -0.444 18032
566 1 2 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.185 1.515 18032
567 1 2 . 1 1 5 5 PHE CB C 5 38.700 38.700 39.033 -0.333 18032
568 1 2 . 1 1 5 5 PHE H H 5 9.110 9.110 8.141 0.969 18032
569 1 2 . 1 1 6 6 ASP N N 6 119.800 119.800 118.795 1.005 18032
570 1 2 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.155 -0.315 18032
571 1 2 . 1 1 6 6 ASP C C 6 179.200 179.200 178.475 0.725 18032
572 1 2 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.794 0.106 18032
573 1 2 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.629 0.271 18032
574 1 2 . 1 1 6 6 ASP H H 6 8.120 8.120 7.828 0.292 18032
575 1 2 . 1 1 7 7 ARG N N 7 119.200 119.200 119.244 -0.044 18032
576 1 2 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.085 -0.015 18032
577 1 2 . 1 1 7 7 ARG C C 7 179.400 179.400 178.845 0.555 18032
578 1 2 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.079 1.221 18032
579 1 2 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.733 1.367 18032
580 1 2 . 1 1 7 7 ARG H H 7 8.020 8.020 7.807 0.213 18032
581 1 2 . 1 1 8 8 VAL N N 8 120.600 120.600 119.954 0.646 18032
582 1 2 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.712 -0.202 18032
583 1 2 . 1 1 8 8 VAL C C 8 176.800 176.800 177.870 -1.070 18032
584 1 2 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.676 0.324 18032
585 1 2 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.277 0.323 18032
586 1 2 . 1 1 8 8 VAL H H 8 8.520 8.520 8.230 0.290 18032
587 1 2 . 1 1 9 9 ALA N N 9 122.800 122.800 121.300 1.500 18032
588 1 2 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.871 -0.201 18032
589 1 2 . 1 1 9 9 ALA C C 9 179.000 179.000 179.465 -0.465 18032
590 1 2 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.468 0.332 18032
591 1 2 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.694 -0.494 18032
592 1 2 . 1 1 9 9 ALA H H 9 8.920 8.920 8.219 0.701 18032
593 1 2 . 1 1 10 10 THR N N 10 114.300 114.300 116.171 -1.871 18032
594 1 2 . 1 1 10 10 THR HA H 10 3.800 3.800 3.954 -0.154 18032
595 1 2 . 1 1 10 10 THR C C 10 175.500 175.500 176.585 -1.085 18032
596 1 2 . 1 1 10 10 THR CA C 10 67.400 67.400 67.795 -0.395 18032
597 1 2 . 1 1 10 10 THR CB C 10 68.900 68.900 68.552 0.348 18032
598 1 2 . 1 1 10 10 THR H H 10 7.790 7.790 7.652 0.138 18032
599 1 2 . 1 1 11 11 ILE N N 11 122.100 122.100 122.345 -0.245 18032
600 1 2 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.631 0.249 18032
601 1 2 . 1 1 11 11 ILE C C 11 179.700 179.700 177.923 1.777 18032
602 1 2 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.741 -0.241 18032
603 1 2 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.770 0.830 18032
604 1 2 . 1 1 11 11 ILE H H 11 7.760 7.760 8.025 -0.265 18032
605 1 2 . 1 1 12 12 ILE N N 12 123.100 123.100 119.468 3.632 18032
606 1 2 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.669 -0.259 18032
607 1 2 . 1 1 12 12 ILE C C 12 176.800 176.800 177.893 -1.093 18032
608 1 2 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.303 1.697 18032
609 1 2 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.579 0.321 18032
610 1 2 . 1 1 12 12 ILE H H 12 8.750 8.750 8.022 0.728 18032
611 1 2 . 1 1 13 13 ALA N N 13 122.600 122.600 123.058 -0.458 18032
612 1 2 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.236 0.044 18032
613 1 2 . 1 1 13 13 ALA C C 13 180.700 180.700 179.512 1.188 18032
614 1 2 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.037 0.663 18032
615 1 2 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.373 0.227 18032
616 1 2 . 1 1 13 13 ALA H H 13 8.430 8.430 7.937 0.493 18032
617 1 2 . 1 1 14 14 GLU N N 14 114.500 114.500 116.527 -2.027 18032
618 1 2 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.098 0.092 18032
619 1 2 . 1 1 14 14 GLU C C 14 179.100 179.100 178.956 0.144 18032
620 1 2 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.339 0.061 18032
621 1 2 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.832 0.168 18032
622 1 2 . 1 1 14 14 GLU H H 14 8.290 8.290 8.042 0.248 18032
623 1 2 . 1 1 15 15 THR N N 15 115.500 115.500 114.735 0.765 18032
624 1 2 . 1 1 15 15 THR HA H 15 4.080 4.080 4.160 -0.080 18032
625 1 2 . 1 1 15 15 THR C C 15 176.200 176.200 175.614 0.586 18032
626 1 2 . 1 1 15 15 THR CA C 15 66.500 66.500 66.135 0.365 18032
627 1 2 . 1 1 15 15 THR CB C 15 69.400 69.400 69.390 0.010 18032
628 1 2 . 1 1 15 15 THR H H 15 8.390 8.390 8.328 0.062 18032
629 1 2 . 1 1 16 16 CYS N N 16 116.000 116.000 117.685 -1.685 18032
630 1 2 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.677 -0.107 18032
631 1 2 . 1 1 16 16 CYS C C 16 173.700 173.700 173.695 0.005 18032
632 1 2 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.853 0.347 18032
633 1 2 . 1 1 16 16 CYS CB C 16 29.600 29.600 29.116 0.484 18032
634 1 2 . 1 1 16 16 CYS H H 16 8.130 8.130 7.928 0.202 18032
635 1 2 . 1 1 17 17 ASP N N 17 119.900 119.900 120.177 -0.277 18032
636 1 2 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.438 -0.028 18032
637 1 2 . 1 1 17 17 ASP C C 17 174.700 174.700 174.808 -0.108 18032
638 1 2 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.032 0.168 18032
639 1 2 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.692 -0.792 18032
640 1 2 . 1 1 17 17 ASP H H 17 7.740 7.740 7.891 -0.151 18032
641 1 2 . 1 1 18 18 ILE N N 18 119.100 119.100 119.320 -0.220 18032
642 1 2 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.546 0.044 18032
643 1 2 . 1 1 18 18 ILE C C 18 179.400 179.400 174.160 5.240 18032
644 1 2 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.040 0.760 18032
645 1 2 . 1 1 18 18 ILE CB C 18 42.000 42.000 37.942 4.058 18032
646 1 2 . 1 1 18 18 ILE H H 18 7.410 7.410 7.506 -0.096 18032
647 1 2 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.453 -0.083 18032
648 1 2 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.399 -0.299 18032
649 1 2 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.185 -0.085 18032
650 1 2 . 1 1 20 20 ARG N N 20 129.100 129.100 126.444 2.656 18032
651 1 2 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.955 -0.095 18032
652 1 2 . 1 1 20 20 ARG C C 20 178.500 178.500 177.440 1.060 18032
653 1 2 . 1 1 20 20 ARG CA C 20 58.800 58.800 58.865 -0.065 18032
654 1 2 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.770 -0.270 18032
655 1 2 . 1 1 20 20 ARG H H 20 9.150 9.150 8.811 0.339 18032
656 1 2 . 1 1 21 21 GLU N N 21 117.300 117.300 116.380 0.920 18032
657 1 2 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.186 0.114 18032
658 1 2 . 1 1 21 21 GLU C C 21 177.200 177.200 177.483 -0.283 18032
659 1 2 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.406 0.195 18032
660 1 2 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.148 -0.648 18032
661 1 2 . 1 1 21 21 GLU H H 21 9.820 9.820 8.667 1.153 18032
662 1 2 . 1 1 22 22 THR N N 22 110.200 110.200 110.122 0.078 18032
663 1 2 . 1 1 22 22 THR HA H 22 4.340 4.340 4.283 0.057 18032
664 1 2 . 1 1 22 22 THR C C 22 173.000 173.000 174.215 -1.215 18032
665 1 2 . 1 1 22 22 THR CA C 22 62.300 62.300 63.367 -1.067 18032
666 1 2 . 1 1 22 22 THR CB C 22 70.000 70.000 69.726 0.274 18032
667 1 2 . 1 1 22 22 THR H H 22 7.780 7.780 7.762 0.018 18032
668 1 2 . 1 1 23 23 ILE N N 23 122.600 122.600 123.483 -0.883 18032
669 1 2 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.090 -0.090 18032
670 1 2 . 1 1 23 23 ILE C C 23 174.700 174.700 175.417 -0.717 18032
671 1 2 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.516 1.084 18032
672 1 2 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.186 2.314 18032
673 1 2 . 1 1 23 23 ILE H H 23 7.590 7.590 7.166 0.424 18032
674 1 2 . 1 1 24 24 THR N N 24 118.600 118.600 120.110 -1.510 18032
675 1 2 . 1 1 24 24 THR HA H 24 5.290 5.290 5.110 0.180 18032
676 1 2 . 1 1 24 24 THR CA C 24 59.000 59.000 58.917 0.083 18032
677 1 2 . 1 1 24 24 THR CB C 24 69.800 69.800 69.934 -0.134 18032
678 1 2 . 1 1 24 24 THR H H 24 8.580 8.580 8.178 0.402 18032
679 1 2 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.977 -0.207 18032
680 1 2 . 1 1 25 25 PRO C C 25 176.200 176.200 177.518 -1.318 18032
681 1 2 . 1 1 25 25 PRO CA C 25 64.900 64.900 65.248 -0.348 18032
682 1 2 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.507 0.293 18032
683 1 2 . 1 1 26 26 GLU N N 26 110.900 110.900 113.425 -2.525 18032
684 1 2 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.365 -0.195 18032
685 1 2 . 1 1 26 26 GLU C C 26 176.900 176.900 176.365 0.535 18032
686 1 2 . 1 1 26 26 GLU CA C 26 56.300 56.300 56.020 0.280 18032
687 1 2 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.151 0.349 18032
688 1 2 . 1 1 26 26 GLU H H 26 7.380 7.380 8.577 -1.197 18032
689 1 2 . 1 1 27 27 SER N N 27 118.100 118.100 117.006 1.094 18032
690 1 2 . 1 1 27 27 SER HA H 27 4.300 4.300 4.521 -0.221 18032
691 1 2 . 1 1 27 27 SER C C 27 172.100 172.100 173.201 -1.101 18032
692 1 2 . 1 1 27 27 SER CA C 27 61.000 61.000 58.818 2.182 18032
693 1 2 . 1 1 27 27 SER CB C 27 64.200 64.200 64.115 0.084 18032
694 1 2 . 1 1 27 27 SER H H 27 8.040 8.040 7.839 0.201 18032
695 1 2 . 1 1 28 28 HIS N N 28 128.200 128.200 126.378 1.822 18032
696 1 2 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.954 -0.214 18032
697 1 2 . 1 1 28 28 HIS C C 28 178.200 178.200 175.952 2.248 18032
698 1 2 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.416 -0.116 18032
699 1 2 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.210 1.389 18032
700 1 2 . 1 1 28 28 HIS H H 28 10.680 10.680 9.002 1.678 18032
701 1 2 . 1 1 29 29 ALA N N 29 130.100 130.100 131.752 -1.652 18032
702 1 2 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.069 -0.119 18032
703 1 2 . 1 1 29 29 ALA C C 29 175.700 175.700 178.464 -2.764 18032
704 1 2 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.680 0.220 18032
705 1 2 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.947 -0.147 18032
706 1 2 . 1 1 29 29 ALA H H 29 9.270 9.270 8.834 0.436 18032
707 1 2 . 1 1 30 30 ILE N N 30 113.300 113.300 116.136 -2.836 18032
708 1 2 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.272 -0.062 18032
709 1 2 . 1 1 30 30 ILE C C 30 177.200 177.200 177.907 -0.707 18032
710 1 2 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.855 -0.955 18032
711 1 2 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.455 0.645 18032
712 1 2 . 1 1 30 30 ILE H H 30 8.540 8.540 7.655 0.885 18032
713 1 2 . 1 1 31 31 ASP N N 31 120.600 120.600 119.769 0.831 18032
714 1 2 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.423 -0.243 18032
715 1 2 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.092 0.409 18032
716 1 2 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.081 -1.081 18032
717 1 2 . 1 1 31 31 ASP H H 31 8.480 8.480 8.381 0.099 18032
718 1 2 . 1 1 32 32 ASP N N 32 114.200 114.200 119.207 -5.007 18032
719 1 2 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.600 0.460 18032
720 1 2 . 1 1 32 32 ASP C C 32 177.500 177.500 178.382 -0.882 18032
721 1 2 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.212 -0.212 18032
722 1 2 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.801 0.399 18032
723 1 2 . 1 1 32 32 ASP H H 32 8.450 8.450 7.980 0.470 18032
724 1 2 . 1 1 33 33 LEU N N 33 114.000 114.000 118.435 -4.435 18032
725 1 2 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.284 0.186 18032
726 1 2 . 1 1 33 33 LEU C C 33 177.400 177.400 177.470 -0.070 18032
727 1 2 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.740 -0.840 18032
728 1 2 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.627 -1.427 18032
729 1 2 . 1 1 33 33 LEU H H 33 7.230 7.230 8.011 -0.781 18032
730 1 2 . 1 1 34 34 GLY N N 34 107.000 107.000 106.603 0.397 18032
731 1 2 . 1 1 34 34 GLY C C 34 174.500 174.500 174.285 0.215 18032
732 1 2 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.169 1.731 18032
733 1 2 . 1 1 34 34 GLY H H 34 7.330 7.330 8.126 -0.796 18032
734 1 2 . 1 1 35 35 ILE N N 35 120.700 120.700 120.672 0.028 18032
735 1 2 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.311 -0.201 18032
736 1 2 . 1 1 35 35 ILE C C 35 175.300 175.300 174.853 0.447 18032
737 1 2 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.369 1.631 18032
738 1 2 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.654 -1.754 18032
739 1 2 . 1 1 35 35 ILE H H 35 7.820 7.820 7.842 -0.022 18032
740 1 2 . 1 1 36 36 ASP N N 36 126.800 126.800 127.410 -0.610 18032
741 1 2 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.778 0.062 18032
742 1 2 . 1 1 36 36 ASP C C 36 177.100 177.100 177.076 0.024 18032
743 1 2 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.755 -1.155 18032
744 1 2 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.259 -0.759 18032
745 1 2 . 1 1 36 36 ASP H H 36 8.780 8.780 8.526 0.254 18032
746 1 2 . 1 1 37 37 SER N N 37 114.000 114.000 115.970 -1.970 18032
747 1 2 . 1 1 37 37 SER HA H 37 4.170 4.170 4.255 -0.085 18032
748 1 2 . 1 1 37 37 SER C C 37 175.700 175.700 177.020 -1.320 18032
749 1 2 . 1 1 37 37 SER CA C 37 60.700 60.700 61.672 -0.972 18032
750 1 2 . 1 1 37 37 SER CB C 37 65.800 65.800 62.551 3.249 18032
751 1 2 . 1 1 37 37 SER H H 37 8.750 8.750 8.475 0.275 18032
752 1 2 . 1 1 38 38 LEU N N 38 123.200 123.200 121.075 2.125 18032
753 1 2 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.003 0.217 18032
754 1 2 . 1 1 38 38 LEU C C 38 180.200 180.200 179.115 1.085 18032
755 1 2 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.792 0.008 18032
756 1 2 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.495 -0.495 18032
757 1 2 . 1 1 38 38 LEU H H 38 8.030 8.030 8.202 -0.172 18032
758 1 2 . 1 1 39 39 ASP N N 39 121.500 121.500 118.264 3.236 18032
759 1 2 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.628 -0.188 18032
760 1 2 . 1 1 39 39 ASP C C 39 179.000 179.000 178.321 0.679 18032
761 1 2 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.120 0.080 18032
762 1 2 . 1 1 39 39 ASP CB C 39 41.200 41.200 41.047 0.153 18032
763 1 2 . 1 1 39 39 ASP H H 39 8.390 8.390 7.834 0.556 18032
764 1 2 . 1 1 40 40 PHE N N 40 118.900 118.900 121.590 -2.690 18032
765 1 2 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.363 -0.313 18032
766 1 2 . 1 1 40 40 PHE C C 40 177.500 177.500 176.795 0.705 18032
767 1 2 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.695 1.105 18032
768 1 2 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.477 -1.077 18032
769 1 2 . 1 1 40 40 PHE H H 40 8.640 8.640 8.180 0.460 18032
770 1 2 . 1 1 41 41 LEU N N 41 118.800 118.800 119.319 -0.519 18032
771 1 2 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.816 0.164 18032
772 1 2 . 1 1 41 41 LEU C C 41 179.300 179.300 178.510 0.790 18032
773 1 2 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.141 0.259 18032
774 1 2 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.353 -0.353 18032
775 1 2 . 1 1 41 41 LEU H H 41 7.660 7.660 8.508 -0.848 18032
776 1 2 . 1 1 42 42 ASP N N 42 119.700 119.700 120.267 -0.567 18032
777 1 2 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.461 0.129 18032
778 1 2 . 1 1 42 42 ASP C C 42 179.800 179.800 178.866 0.934 18032
779 1 2 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.465 0.135 18032
780 1 2 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.919 -0.619 18032
781 1 2 . 1 1 42 42 ASP H H 42 7.320 7.320 7.990 -0.670 18032
782 1 2 . 1 1 43 43 ILE N N 43 122.700 122.700 119.555 3.145 18032
783 1 2 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.734 -0.214 18032
784 1 2 . 1 1 43 43 ILE C C 43 177.100 177.100 177.888 -0.788 18032
785 1 2 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.954 0.246 18032
786 1 2 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.660 0.240 18032
787 1 2 . 1 1 43 43 ILE H H 43 8.090 8.090 7.934 0.156 18032
788 1 2 . 1 1 44 44 ALA N N 44 122.600 122.600 122.248 0.352 18032
789 1 2 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.956 -0.096 18032
790 1 2 . 1 1 44 44 ALA C C 44 178.500 178.500 179.720 -1.220 18032
791 1 2 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.697 1.004 18032
792 1 2 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.798 0.502 18032
793 1 2 . 1 1 44 44 ALA H H 44 8.830 8.830 7.584 1.246 18032
794 1 2 . 1 1 45 45 PHE N N 45 117.300 117.300 118.969 -1.669 18032
795 1 2 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.156 0.344 18032
796 1 2 . 1 1 45 45 PHE C C 45 178.300 178.300 177.230 1.070 18032
797 1 2 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.785 -1.185 18032
798 1 2 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.855 -0.155 18032
799 1 2 . 1 1 45 45 PHE H H 45 8.090 8.090 8.251 -0.161 18032
800 1 2 . 1 1 46 46 ALA N N 46 121.600 121.600 123.097 -1.497 18032
801 1 2 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.112 0.058 18032
802 1 2 . 1 1 46 46 ALA C C 46 181.400 181.400 179.759 1.641 18032
803 1 2 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.149 -0.149 18032
804 1 2 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.099 1.101 18032
805 1 2 . 1 1 46 46 ALA H H 46 7.780 7.780 7.879 -0.099 18032
806 1 2 . 1 1 47 47 ILE N N 47 122.900 122.900 118.637 4.263 18032
807 1 2 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.811 -0.031 18032
808 1 2 . 1 1 47 47 ILE C C 47 177.000 177.000 177.451 -0.451 18032
809 1 2 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.721 0.279 18032
810 1 2 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.642 0.358 18032
811 1 2 . 1 1 47 47 ILE H H 47 8.960 8.960 8.192 0.768 18032
812 1 2 . 1 1 48 48 ASP N N 48 123.900 123.900 120.700 3.200 18032
813 1 2 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.221 0.149 18032
814 1 2 . 1 1 48 48 ASP C C 48 180.200 180.200 178.475 1.725 18032
815 1 2 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.107 -0.407 18032
816 1 2 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.810 -0.510 18032
817 1 2 . 1 1 48 48 ASP H H 48 8.950 8.950 7.957 0.993 18032
818 1 2 . 1 1 49 49 LYS N N 49 117.500 117.500 117.976 -0.476 18032
819 1 2 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.122 -0.102 18032
820 1 2 . 1 1 49 49 LYS C C 49 178.800 178.800 179.340 -0.540 18032
821 1 2 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.700 -0.100 18032
822 1 2 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.549 0.051 18032
823 1 2 . 1 1 49 49 LYS H H 49 7.590 7.590 7.721 -0.131 18032
824 1 2 . 1 1 50 50 ALA N N 50 121.100 121.100 122.545 -1.445 18032
825 1 2 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.107 -0.077 18032
826 1 2 . 1 1 50 50 ALA C C 50 179.400 179.400 179.353 0.047 18032
827 1 2 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.612 -0.013 18032
828 1 2 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.555 0.545 18032
829 1 2 . 1 1 50 50 ALA H H 50 8.180 8.180 7.583 0.597 18032
830 1 2 . 1 1 51 51 PHE N N 51 111.600 111.600 114.453 -2.853 18032
831 1 2 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.556 -0.016 18032
832 1 2 . 1 1 51 51 PHE C C 51 176.200 176.200 175.630 0.570 18032
833 1 2 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.164 0.236 18032
834 1 2 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.006 1.494 18032
835 1 2 . 1 1 51 51 PHE H H 51 8.620 8.620 8.080 0.540 18032
836 1 2 . 1 1 52 52 GLY N N 52 112.100 112.100 107.977 4.123 18032
837 1 2 . 1 1 52 52 GLY C C 52 174.900 174.900 174.335 0.565 18032
838 1 2 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.810 1.690 18032
839 1 2 . 1 1 52 52 GLY H H 52 8.140 8.140 7.558 0.582 18032
840 1 2 . 1 1 53 53 ILE N N 53 111.000 111.000 114.057 -3.057 18032
841 1 2 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.507 0.163 18032
842 1 2 . 1 1 53 53 ILE C C 53 173.500 173.500 174.542 -1.042 18032
843 1 2 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.741 -0.141 18032
844 1 2 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.748 3.152 18032
845 1 2 . 1 1 53 53 ILE H H 53 7.520 7.520 7.593 -0.073 18032
846 1 2 . 1 1 54 54 LYS N N 54 119.600 119.600 120.966 -1.366 18032
847 1 2 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.632 -0.022 18032
848 1 2 . 1 1 54 54 LYS C C 54 175.900 175.900 175.424 0.476 18032
849 1 2 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.442 -1.142 18032
850 1 2 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.731 -0.731 18032
851 1 2 . 1 1 54 54 LYS H H 54 7.940 7.940 8.194 -0.254 18032
852 1 2 . 1 1 55 55 LEU N N 55 130.800 130.800 127.248 3.552 18032
853 1 2 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.380 -0.530 18032
854 1 2 . 1 1 55 55 LEU CA C 55 53.300 53.300 51.959 1.341 18032
855 1 2 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.598 0.402 18032
856 1 2 . 1 1 55 55 LEU H H 55 10.700 10.700 8.048 2.652 18032
857 1 2 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.179 0.421 18032
858 1 2 . 1 1 56 56 PRO C C 56 174.600 174.600 176.025 -1.425 18032
859 1 2 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.018 -0.518 18032
860 1 2 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.001 -2.501 18032
861 1 2 . 1 1 57 57 LEU N N 57 121.300 121.300 122.023 -0.723 18032
862 1 2 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.440 -0.030 18032
863 1 2 . 1 1 57 57 LEU C C 57 179.100 179.100 177.831 1.269 18032
864 1 2 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.842 0.358 18032
865 1 2 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.570 0.530 18032
866 1 2 . 1 1 57 57 LEU H H 57 7.490 7.490 7.468 0.022 18032
867 1 2 . 1 1 58 58 GLU N N 58 119.200 119.200 118.534 0.666 18032
868 1 2 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.933 0.047 18032
869 1 2 . 1 1 58 58 GLU C C 58 178.500 178.500 178.685 -0.185 18032
870 1 2 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.776 0.124 18032
871 1 2 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.865 -0.165 18032
872 1 2 . 1 1 58 58 GLU H H 58 8.860 8.860 8.519 0.341 18032
873 1 2 . 1 1 59 59 LYS N N 59 122.100 122.100 120.507 1.593 18032
874 1 2 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.014 0.086 18032
875 1 2 . 1 1 59 59 LYS C C 59 178.700 178.700 178.836 -0.136 18032
876 1 2 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.260 -0.360 18032
877 1 2 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.022 0.178 18032
878 1 2 . 1 1 59 59 LYS H H 59 7.420 7.420 7.900 -0.480 18032
879 1 2 . 1 1 60 60 TRP N N 60 120.000 120.000 118.008 1.992 18032
880 1 2 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.353 -0.153 18032
881 1 2 . 1 1 60 60 TRP C C 60 178.300 178.300 179.502 -1.202 18032
882 1 2 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.710 -0.010 18032
883 1 2 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.713 0.887 18032
884 1 2 . 1 1 60 60 TRP H H 60 8.140 8.140 7.938 0.202 18032
885 1 2 . 1 1 61 61 THR N N 61 113.200 113.200 116.059 -2.859 18032
886 1 2 . 1 1 61 61 THR HA H 61 3.870 3.870 4.265 -0.395 18032
887 1 2 . 1 1 61 61 THR C C 61 176.300 176.300 177.276 -0.976 18032
888 1 2 . 1 1 61 61 THR CA C 61 67.100 67.100 67.511 -0.411 18032
889 1 2 . 1 1 61 61 THR CB C 61 68.900 68.900 68.594 0.306 18032
890 1 2 . 1 1 61 61 THR H H 61 8.390 8.390 8.325 0.065 18032
891 1 2 . 1 1 62 62 GLN N N 62 122.300 122.300 120.511 1.789 18032
892 1 2 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.165 -0.125 18032
893 1 2 . 1 1 62 62 GLN C C 62 177.900 177.900 178.455 -0.555 18032
894 1 2 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.021 -0.021 18032
895 1 2 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.666 -0.566 18032
896 1 2 . 1 1 62 62 GLN H H 62 7.810 7.810 7.736 0.074 18032
897 1 2 . 1 1 63 63 GLU N N 63 119.000 119.000 121.076 -2.076 18032
898 1 2 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.104 -0.034 18032
899 1 2 . 1 1 63 63 GLU C C 63 180.000 180.000 179.477 0.523 18032
900 1 2 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.479 0.721 18032
901 1 2 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.690 0.710 18032
902 1 2 . 1 1 63 63 GLU H H 63 8.410 8.410 8.218 0.192 18032
903 1 2 . 1 1 64 64 VAL N N 64 119.600 119.600 120.075 -0.475 18032
904 1 2 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.852 0.268 18032
905 1 2 . 1 1 64 64 VAL C C 64 180.600 180.600 178.523 2.077 18032
906 1 2 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.501 -1.101 18032
907 1 2 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.832 0.068 18032
908 1 2 . 1 1 64 64 VAL H H 64 8.170 8.170 8.041 0.129 18032
909 1 2 . 1 1 65 65 ASN N N 65 121.700 121.700 118.289 3.411 18032
910 1 2 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.531 -0.021 18032
911 1 2 . 1 1 65 65 ASN C C 65 177.300 177.300 176.534 0.766 18032
912 1 2 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.792 0.508 18032
913 1 2 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.523 -0.423 18032
914 1 2 . 1 1 65 65 ASN H H 65 8.550 8.550 8.039 0.511 18032
915 1 2 . 1 1 66 66 ASP N N 66 118.000 118.000 117.788 0.212 18032
916 1 2 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.796 -0.026 18032
917 1 2 . 1 1 66 66 ASP C C 66 177.000 177.000 176.396 0.604 18032
918 1 2 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.622 1.178 18032
919 1 2 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.381 -0.081 18032
920 1 2 . 1 1 66 66 ASP H H 66 8.470 8.470 7.954 0.516 18032
921 1 2 . 1 1 67 67 GLY N N 67 108.600 108.600 107.988 0.612 18032
922 1 2 . 1 1 67 67 GLY C C 67 174.800 174.800 175.715 -0.915 18032
923 1 2 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.444 -0.444 18032
924 1 2 . 1 1 67 67 GLY H H 67 8.100 8.100 7.721 0.379 18032
925 1 2 . 1 1 68 68 LYS N N 68 118.900 118.900 118.858 0.042 18032
926 1 2 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.206 0.104 18032
927 1 2 . 1 1 68 68 LYS C C 68 175.100 175.100 176.652 -1.552 18032
928 1 2 . 1 1 68 68 LYS CA C 68 56.400 56.400 56.880 -0.480 18032
929 1 2 . 1 1 68 68 LYS CB C 68 33.500 33.500 32.995 0.505 18032
930 1 2 . 1 1 68 68 LYS H H 68 8.400 8.400 8.105 0.295 18032
931 1 2 . 1 1 69 69 ALA N N 69 120.400 120.400 121.475 -1.075 18032
932 1 2 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.644 -0.014 18032
933 1 2 . 1 1 69 69 ALA C C 69 175.900 175.900 175.958 -0.058 18032
934 1 2 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.403 -0.903 18032
935 1 2 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.205 2.795 18032
936 1 2 . 1 1 69 69 ALA H H 69 7.490 7.490 7.591 -0.101 18032
937 1 2 . 1 1 70 70 THR N N 70 109.700 109.700 115.236 -5.536 18032
938 1 2 . 1 1 70 70 THR HA H 70 4.750 4.750 4.535 0.215 18032
939 1 2 . 1 1 70 70 THR C C 70 175.600 175.600 176.323 -0.723 18032
940 1 2 . 1 1 70 70 THR CA C 70 59.600 59.600 61.609 -2.009 18032
941 1 2 . 1 1 70 70 THR CB C 70 70.700 70.700 70.120 0.580 18032
942 1 2 . 1 1 70 70 THR H H 70 7.930 7.930 8.220 -0.290 18032
943 1 2 . 1 1 71 71 THR N N 71 111.300 111.300 117.579 -6.279 18032
944 1 2 . 1 1 71 71 THR HA H 71 4.110 4.110 4.138 -0.028 18032
945 1 2 . 1 1 71 71 THR C C 71 177.500 177.500 176.300 1.200 18032
946 1 2 . 1 1 71 71 THR CA C 71 65.100 65.100 66.525 -1.425 18032
947 1 2 . 1 1 71 71 THR CB C 71 68.900 68.900 68.638 0.262 18032
948 1 2 . 1 1 71 71 THR H H 71 9.030 9.030 8.702 0.328 18032
949 1 2 . 1 1 72 72 GLU N N 72 122.300 122.300 120.814 1.486 18032
950 1 2 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.066 -0.206 18032
951 1 2 . 1 1 72 72 GLU C C 72 177.500 177.500 179.114 -1.614 18032
952 1 2 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.227 0.673 18032
953 1 2 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.425 0.575 18032
954 1 2 . 1 1 72 72 GLU H H 72 8.830 8.830 8.976 -0.146 18032
955 1 2 . 1 1 73 73 GLN N N 73 116.900 116.900 118.746 -1.846 18032
956 1 2 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.788 -0.158 18032
957 1 2 . 1 1 73 73 GLN C C 73 174.000 174.000 177.581 -3.581 18032
958 1 2 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.287 -0.287 18032
959 1 2 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.625 -0.025 18032
960 1 2 . 1 1 73 73 GLN H H 73 7.280 7.280 7.550 -0.270 18032
961 1 2 . 1 1 74 74 TYR N N 74 112.700 112.700 113.615 -0.915 18032
962 1 2 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.141 -0.061 18032
963 1 2 . 1 1 74 74 TYR C C 74 173.900 173.900 176.216 -2.316 18032
964 1 2 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.179 -1.379 18032
965 1 2 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.757 0.543 18032
966 1 2 . 1 1 74 74 TYR H H 74 6.310 6.310 7.329 -1.019 18032
967 1 2 . 1 1 75 75 PHE N N 75 108.000 108.000 116.058 -8.058 18032
968 1 2 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.600 0.060 18032
969 1 2 . 1 1 75 75 PHE C C 75 177.900 177.900 173.877 4.023 18032
970 1 2 . 1 1 75 75 PHE CA C 75 57.400 57.400 56.759 0.641 18032
971 1 2 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.386 0.314 18032
972 1 2 . 1 1 75 75 PHE H H 75 7.760 7.760 7.678 0.082 18032
973 1 2 . 1 1 76 76 VAL N N 76 120.700 120.700 120.475 0.225 18032
974 1 2 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.487 0.283 18032
975 1 2 . 1 1 76 76 VAL C C 76 180.000 180.000 176.842 3.158 18032
976 1 2 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.060 1.839 18032
977 1 2 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.557 -1.357 18032
978 1 2 . 1 1 76 76 VAL H H 76 7.010 7.010 7.716 -0.706 18032
979 1 2 . 1 1 77 77 LEU N N 77 131.600 131.600 128.539 3.061 18032
980 1 2 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.064 -0.034 18032
981 1 2 . 1 1 77 77 LEU C C 77 179.000 179.000 179.161 -0.161 18032
982 1 2 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.982 0.118 18032
983 1 2 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.204 -0.204 18032
984 1 2 . 1 1 77 77 LEU H H 77 8.860 8.860 8.882 -0.022 18032
985 1 2 . 1 1 78 78 LYS N N 78 116.700 116.700 118.598 -1.898 18032
986 1 2 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.044 0.166 18032
987 1 2 . 1 1 78 78 LYS C C 78 178.000 178.000 178.773 -0.773 18032
988 1 2 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.216 -0.116 18032
989 1 2 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.709 -0.609 18032
990 1 2 . 1 1 78 78 LYS H H 78 9.540 9.540 8.047 1.493 18032
991 1 2 . 1 1 79 79 ASN N N 79 121.500 121.500 119.930 1.570 18032
992 1 2 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.430 0.220 18032
993 1 2 . 1 1 79 79 ASN C C 79 176.200 176.200 177.483 -1.283 18032
994 1 2 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.624 -1.024 18032
995 1 2 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.881 -0.681 18032
996 1 2 . 1 1 79 79 ASN H H 79 7.340 7.340 7.729 -0.389 18032
997 1 2 . 1 1 80 80 LEU N N 80 124.300 124.300 121.845 2.455 18032
998 1 2 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.022 0.008 18032
999 1 2 . 1 1 80 80 LEU C C 80 178.700 178.700 178.121 0.579 18032
1000 1 2 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.232 0.568 18032
1001 1 2 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.717 -0.917 18032
1002 1 2 . 1 1 80 80 LEU H H 80 8.260 8.260 8.613 -0.353 18032
1003 1 2 . 1 1 81 81 ALA N N 81 118.100 118.100 120.466 -2.366 18032
1004 1 2 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.914 -0.044 18032
1005 1 2 . 1 1 81 81 ALA C C 81 177.600 177.600 179.090 -1.490 18032
1006 1 2 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.043 0.157 18032
1007 1 2 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.029 -0.729 18032
1008 1 2 . 1 1 81 81 ALA H H 81 8.580 8.580 7.938 0.642 18032
1009 1 2 . 1 1 82 82 ALA N N 82 119.800 119.800 121.105 -1.305 18032
1010 1 2 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.044 0.166 18032
1011 1 2 . 1 1 82 82 ALA C C 82 180.700 180.700 179.752 0.948 18032
1012 1 2 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.881 0.519 18032
1013 1 2 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.218 -0.318 18032
1014 1 2 . 1 1 82 82 ALA H H 82 7.230 7.230 7.651 -0.421 18032
1015 1 2 . 1 1 83 83 ARG N N 83 118.300 118.300 118.844 -0.544 18032
1016 1 2 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.228 0.112 18032
1017 1 2 . 1 1 83 83 ARG C C 83 180.500 180.500 179.327 1.173 18032
1018 1 2 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.188 0.312 18032
1019 1 2 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.459 2.441 18032
1020 1 2 . 1 1 83 83 ARG H H 83 8.510 8.510 7.900 0.610 18032
1021 1 2 . 1 1 84 84 ILE N N 84 121.300 121.300 120.003 1.297 18032
1022 1 2 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.669 -0.289 18032
1023 1 2 . 1 1 84 84 ILE C C 84 177.300 177.300 177.762 -0.462 18032
1024 1 2 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.368 0.832 18032
1025 1 2 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.422 0.278 18032
1026 1 2 . 1 1 84 84 ILE H H 84 8.340 8.340 8.153 0.187 18032
1027 1 2 . 1 1 85 85 ASP N N 85 120.200 120.200 119.886 0.314 18032
1028 1 2 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.277 0.133 18032
1029 1 2 . 1 1 85 85 ASP C C 85 180.200 180.200 178.670 1.530 18032
1030 1 2 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.277 0.723 18032
1031 1 2 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.889 -1.389 18032
1032 1 2 . 1 1 85 85 ASP H H 85 8.330 8.330 8.017 0.313 18032
1033 1 2 . 1 1 86 86 GLU N N 86 121.100 121.100 119.304 1.796 18032
1034 1 2 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.079 0.041 18032
1035 1 2 . 1 1 86 86 GLU C C 86 179.800 179.800 179.166 0.634 18032
1036 1 2 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.203 0.097 18032
1037 1 2 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.700 -0.200 18032
1038 1 2 . 1 1 86 86 GLU H H 86 8.060 8.060 8.140 -0.080 18032
1039 1 2 . 1 1 87 87 LEU N N 87 122.700 122.700 119.369 3.331 18032
1040 1 2 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.173 0.027 18032
1041 1 2 . 1 1 87 87 LEU C C 87 180.500 180.500 178.836 1.664 18032
1042 1 2 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.475 0.725 18032
1043 1 2 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.727 0.372 18032
1044 1 2 . 1 1 87 87 LEU H H 87 8.090 8.090 7.318 0.772 18032
1045 1 2 . 1 1 88 88 VAL N N 88 122.800 122.800 119.322 3.478 18032
1046 1 2 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.866 -0.326 18032
1047 1 2 . 1 1 88 88 VAL C C 88 179.200 179.200 178.065 1.135 18032
1048 1 2 . 1 1 88 88 VAL CA C 88 66.800 66.800 64.943 1.857 18032
1049 1 2 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.903 1.397 18032
1050 1 2 . 1 1 88 88 VAL H H 88 9.030 9.030 7.975 1.055 18032
1051 1 2 . 1 1 89 89 ALA N N 89 122.900 122.900 122.270 0.630 18032
1052 1 2 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.139 0.081 18032
1053 1 2 . 1 1 89 89 ALA C C 89 180.000 180.000 179.325 0.675 18032
1054 1 2 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.937 -0.237 18032
1055 1 2 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.119 -0.119 18032
1056 1 2 . 1 1 89 89 ALA H H 89 8.170 8.170 8.078 0.092 18032
1057 1 2 . 1 1 90 90 ALA N N 90 120.100 120.100 122.028 -1.928 18032
1058 1 2 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.063 0.207 18032
1059 1 2 . 1 1 90 90 ALA C C 90 179.200 179.200 179.176 0.024 18032
1060 1 2 . 1 1 90 90 ALA CA C 90 53.900 53.900 55.056 -1.155 18032
1061 1 2 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.150 0.350 18032
1062 1 2 . 1 1 90 90 ALA H H 90 7.820 7.820 7.876 -0.056 18032
1063 1 2 . 1 1 91 91 LYS N N 91 118.900 118.900 118.267 0.633 18032
1064 1 2 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.004 0.186 18032
1065 1 2 . 1 1 91 91 LYS C C 91 178.400 178.400 178.150 0.250 18032
1066 1 2 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.905 -0.405 18032
1067 1 2 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.228 0.172 18032
1068 1 2 . 1 1 91 91 LYS H H 91 7.660 7.660 7.827 -0.167 18032
1069 1 2 . 1 1 92 92 GLY N N 92 107.200 107.200 105.459 1.741 18032
1070 1 2 . 1 1 92 92 GLY C C 92 174.700 174.700 175.255 -0.555 18032
1071 1 2 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.529 0.471 18032
1072 1 2 . 1 1 92 92 GLY H H 92 8.090 8.090 7.542 0.548 18032
1073 1 2 . 1 1 93 93 ALA N N 93 123.300 123.300 124.365 -1.065 18032
1074 1 2 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.303 0.017 18032
1075 1 2 . 1 1 93 93 ALA C C 93 178.300 178.300 177.676 0.624 18032
1076 1 2 . 1 1 93 93 ALA CA C 93 53.100 53.100 53.382 -0.282 18032
1077 1 2 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.948 -0.948 18032
1078 1 2 . 1 1 93 93 ALA H H 93 7.900 7.900 7.794 0.106 18032
1079 1 2 . 1 1 94 94 LEU N N 94 119.800 119.800 119.659 0.141 18032
1080 1 2 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.721 -0.431 18032
1081 1 2 . 1 1 94 94 LEU C C 94 177.900 177.900 176.558 1.342 18032
1082 1 2 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.497 1.403 18032
1083 1 2 . 1 1 94 94 LEU CB C 94 42.300 42.300 40.127 2.173 18032
1084 1 2 . 1 1 94 94 LEU H H 94 7.940 7.940 7.685 0.255 18032
1085 1 2 . 1 1 95 95 GLU N N 95 120.100 120.100 121.660 -1.560 18032
1086 1 2 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.464 -0.274 18032
1087 1 2 . 1 1 95 95 GLU C C 95 176.500 176.500 176.705 -0.205 18032
1088 1 2 . 1 1 95 95 GLU CA C 95 56.900 56.900 54.477 2.423 18032
1089 1 2 . 1 1 95 95 GLU CB C 95 30.200 30.200 31.007 -0.807 18032
1090 1 2 . 1 1 95 95 GLU H H 95 8.130 8.130 7.888 0.242 18032
1091 1 2 . 1 1 96 96 HIS N N 96 119.200 119.200 120.115 -0.915 18032
1092 1 2 . 1 1 96 96 HIS CA C 96 56.300 56.300 57.835 -1.535 18032
1093 1 2 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.050 2.250 18032
1094 1 2 . 1 1 96 96 HIS H H 96 8.160 8.160 8.989 -0.829 18032
1095 1 3 . 1 1 2 2 THR HA H 2 4.580 4.580 4.030 0.550 18032
1096 1 3 . 1 1 2 2 THR C C 2 174.500 174.500 174.172 0.328 18032
1097 1 3 . 1 1 2 2 THR CA C 2 61.700 61.700 62.686 -0.986 18032
1098 1 3 . 1 1 2 2 THR CB C 2 70.400 70.400 68.457 1.943 18032
1099 1 3 . 1 1 3 3 SER N N 3 120.600 120.600 119.689 0.911 18032
1100 1 3 . 1 1 3 3 SER HA H 3 4.770 4.770 4.551 0.219 18032
1101 1 3 . 1 1 3 3 SER C C 3 175.100 175.100 175.888 -0.788 18032
1102 1 3 . 1 1 3 3 SER CA C 3 58.300 58.300 57.669 0.631 18032
1103 1 3 . 1 1 3 3 SER CB C 3 65.000 65.000 64.107 0.893 18032
1104 1 3 . 1 1 3 3 SER H H 3 9.090 9.090 8.237 0.853 18032
1105 1 3 . 1 1 4 4 THR N N 4 120.500 120.500 125.197 -4.697 18032
1106 1 3 . 1 1 4 4 THR HA H 4 4.230 4.230 4.342 -0.112 18032
1107 1 3 . 1 1 4 4 THR C C 4 176.200 176.200 176.241 -0.041 18032
1108 1 3 . 1 1 4 4 THR CA C 4 67.700 67.700 66.127 1.573 18032
1109 1 3 . 1 1 4 4 THR CB C 4 67.500 67.500 68.878 -1.378 18032
1110 1 3 . 1 1 4 4 THR H H 4 8.890 8.890 9.028 -0.138 18032
1111 1 3 . 1 1 5 5 PHE N N 5 121.100 121.100 120.937 0.163 18032
1112 1 3 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.238 -0.438 18032
1113 1 3 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.800 1.900 18032
1114 1 3 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.835 -0.135 18032
1115 1 3 . 1 1 5 5 PHE H H 5 9.110 9.110 8.631 0.479 18032
1116 1 3 . 1 1 6 6 ASP N N 6 119.800 119.800 119.283 0.517 18032
1117 1 3 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.046 -0.206 18032
1118 1 3 . 1 1 6 6 ASP C C 6 179.200 179.200 178.332 0.868 18032
1119 1 3 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.609 0.291 18032
1120 1 3 . 1 1 6 6 ASP CB C 6 40.900 40.900 41.004 -0.104 18032
1121 1 3 . 1 1 6 6 ASP H H 6 8.120 8.120 7.771 0.349 18032
1122 1 3 . 1 1 7 7 ARG N N 7 119.200 119.200 119.222 -0.022 18032
1123 1 3 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.015 0.055 18032
1124 1 3 . 1 1 7 7 ARG C C 7 179.400 179.400 178.948 0.452 18032
1125 1 3 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.826 0.474 18032
1126 1 3 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.914 1.186 18032
1127 1 3 . 1 1 7 7 ARG H H 7 8.020 8.020 8.216 -0.196 18032
1128 1 3 . 1 1 8 8 VAL N N 8 120.600 120.600 119.724 0.876 18032
1129 1 3 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.692 -0.182 18032
1130 1 3 . 1 1 8 8 VAL C C 8 176.800 176.800 177.869 -1.069 18032
1131 1 3 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.531 0.468 18032
1132 1 3 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.535 0.065 18032
1133 1 3 . 1 1 8 8 VAL H H 8 8.520 8.520 8.183 0.337 18032
1134 1 3 . 1 1 9 9 ALA N N 9 122.800 122.800 121.517 1.283 18032
1135 1 3 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.862 -0.192 18032
1136 1 3 . 1 1 9 9 ALA C C 9 179.000 179.000 179.446 -0.446 18032
1137 1 3 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.395 0.405 18032
1138 1 3 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.722 -0.522 18032
1139 1 3 . 1 1 9 9 ALA H H 9 8.920 8.920 8.230 0.690 18032
1140 1 3 . 1 1 10 10 THR N N 10 114.300 114.300 115.914 -1.614 18032
1141 1 3 . 1 1 10 10 THR HA H 10 3.800 3.800 3.924 -0.124 18032
1142 1 3 . 1 1 10 10 THR C C 10 175.500 175.500 176.642 -1.142 18032
1143 1 3 . 1 1 10 10 THR CA C 10 67.400 67.400 67.206 0.195 18032
1144 1 3 . 1 1 10 10 THR CB C 10 68.900 68.900 68.740 0.160 18032
1145 1 3 . 1 1 10 10 THR H H 10 7.790 7.790 7.625 0.165 18032
1146 1 3 . 1 1 11 11 ILE N N 11 122.100 122.100 122.028 0.072 18032
1147 1 3 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.611 0.269 18032
1148 1 3 . 1 1 11 11 ILE C C 11 179.700 179.700 177.947 1.753 18032
1149 1 3 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.697 -0.197 18032
1150 1 3 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.787 0.813 18032
1151 1 3 . 1 1 11 11 ILE H H 11 7.760 7.760 7.928 -0.168 18032
1152 1 3 . 1 1 12 12 ILE N N 12 123.100 123.100 119.327 3.773 18032
1153 1 3 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.690 -0.280 18032
1154 1 3 . 1 1 12 12 ILE C C 12 176.800 176.800 177.805 -1.005 18032
1155 1 3 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.109 1.891 18032
1156 1 3 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.528 0.372 18032
1157 1 3 . 1 1 12 12 ILE H H 12 8.750 8.750 8.052 0.698 18032
1158 1 3 . 1 1 13 13 ALA N N 13 122.600 122.600 122.579 0.021 18032
1159 1 3 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.334 -0.054 18032
1160 1 3 . 1 1 13 13 ALA C C 13 180.700 180.700 180.112 0.588 18032
1161 1 3 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.077 0.623 18032
1162 1 3 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.328 0.272 18032
1163 1 3 . 1 1 13 13 ALA H H 13 8.430 8.430 7.878 0.552 18032
1164 1 3 . 1 1 14 14 GLU N N 14 114.500 114.500 117.039 -2.539 18032
1165 1 3 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.226 -0.036 18032
1166 1 3 . 1 1 14 14 GLU C C 14 179.100 179.100 178.683 0.417 18032
1167 1 3 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.135 0.265 18032
1168 1 3 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.514 0.486 18032
1169 1 3 . 1 1 14 14 GLU H H 14 8.290 8.290 7.870 0.420 18032
1170 1 3 . 1 1 15 15 THR N N 15 115.500 115.500 114.549 0.951 18032
1171 1 3 . 1 1 15 15 THR HA H 15 4.080 4.080 4.164 -0.084 18032
1172 1 3 . 1 1 15 15 THR C C 15 176.200 176.200 175.927 0.273 18032
1173 1 3 . 1 1 15 15 THR CA C 15 66.500 66.500 65.478 1.022 18032
1174 1 3 . 1 1 15 15 THR CB C 15 69.400 69.400 69.438 -0.038 18032
1175 1 3 . 1 1 15 15 THR H H 15 8.390 8.390 8.381 0.009 18032
1176 1 3 . 1 1 16 16 CYS N N 16 116.000 116.000 117.671 -1.671 18032
1177 1 3 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.662 -0.092 18032
1178 1 3 . 1 1 16 16 CYS C C 16 173.700 173.700 173.825 -0.125 18032
1179 1 3 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.365 0.835 18032
1180 1 3 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.500 1.100 18032
1181 1 3 . 1 1 16 16 CYS H H 16 8.130 8.130 8.026 0.104 18032
1182 1 3 . 1 1 17 17 ASP N N 17 119.900 119.900 120.270 -0.370 18032
1183 1 3 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.555 -0.145 18032
1184 1 3 . 1 1 17 17 ASP C C 17 174.700 174.700 174.766 -0.066 18032
1185 1 3 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.157 0.043 18032
1186 1 3 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.900 -1.000 18032
1187 1 3 . 1 1 17 17 ASP H H 17 7.740 7.740 8.068 -0.328 18032
1188 1 3 . 1 1 18 18 ILE N N 18 119.100 119.100 122.040 -2.940 18032
1189 1 3 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.621 -0.031 18032
1190 1 3 . 1 1 18 18 ILE C C 18 179.400 179.400 173.903 5.497 18032
1191 1 3 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.837 0.963 18032
1192 1 3 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.069 2.931 18032
1193 1 3 . 1 1 18 18 ILE H H 18 7.410 7.410 7.593 -0.183 18032
1194 1 3 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.547 -0.177 18032
1195 1 3 . 1 1 19 19 PRO CA C 19 63.100 63.100 62.935 0.164 18032
1196 1 3 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.874 -0.774 18032
1197 1 3 . 1 1 20 20 ARG N N 20 129.100 129.100 124.648 4.452 18032
1198 1 3 . 1 1 20 20 ARG HA H 20 3.860 3.860 4.005 -0.145 18032
1199 1 3 . 1 1 20 20 ARG C C 20 178.500 178.500 178.555 -0.055 18032
1200 1 3 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.238 -0.438 18032
1201 1 3 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.874 -0.374 18032
1202 1 3 . 1 1 20 20 ARG H H 20 9.150 9.150 8.772 0.378 18032
1203 1 3 . 1 1 21 21 GLU N N 21 117.300 117.300 117.120 0.180 18032
1204 1 3 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.208 0.092 18032
1205 1 3 . 1 1 21 21 GLU C C 21 177.200 177.200 177.365 -0.165 18032
1206 1 3 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.485 0.115 18032
1207 1 3 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.092 -0.592 18032
1208 1 3 . 1 1 21 21 GLU H H 21 9.820 9.820 8.887 0.933 18032
1209 1 3 . 1 1 22 22 THR N N 22 110.200 110.200 110.027 0.173 18032
1210 1 3 . 1 1 22 22 THR HA H 22 4.340 4.340 4.418 -0.078 18032
1211 1 3 . 1 1 22 22 THR C C 22 173.000 173.000 173.912 -0.912 18032
1212 1 3 . 1 1 22 22 THR CA C 22 62.300 62.300 61.578 0.722 18032
1213 1 3 . 1 1 22 22 THR CB C 22 70.000 70.000 69.448 0.552 18032
1214 1 3 . 1 1 22 22 THR H H 22 7.780 7.780 7.668 0.112 18032
1215 1 3 . 1 1 23 23 ILE N N 23 122.600 122.600 125.568 -2.968 18032
1216 1 3 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.432 -0.432 18032
1217 1 3 . 1 1 23 23 ILE C C 23 174.700 174.700 174.882 -0.182 18032
1218 1 3 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.511 2.089 18032
1219 1 3 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.647 0.853 18032
1220 1 3 . 1 1 23 23 ILE H H 23 7.590 7.590 7.402 0.188 18032
1221 1 3 . 1 1 24 24 THR N N 24 118.600 118.600 117.500 1.100 18032
1222 1 3 . 1 1 24 24 THR HA H 24 5.290 5.290 5.028 0.262 18032
1223 1 3 . 1 1 24 24 THR CA C 24 59.000 59.000 58.745 0.255 18032
1224 1 3 . 1 1 24 24 THR CB C 24 69.800 69.800 69.791 0.009 18032
1225 1 3 . 1 1 24 24 THR H H 24 8.580 8.580 8.335 0.245 18032
1226 1 3 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.748 0.022 18032
1227 1 3 . 1 1 25 25 PRO C C 25 176.200 176.200 177.208 -1.008 18032
1228 1 3 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.562 0.338 18032
1229 1 3 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.282 0.518 18032
1230 1 3 . 1 1 26 26 GLU N N 26 110.900 110.900 114.063 -3.163 18032
1231 1 3 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.297 -0.127 18032
1232 1 3 . 1 1 26 26 GLU C C 26 176.900 176.900 176.182 0.718 18032
1233 1 3 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.500 0.800 18032
1234 1 3 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.724 0.777 18032
1235 1 3 . 1 1 26 26 GLU H H 26 7.380 7.380 8.422 -1.042 18032
1236 1 3 . 1 1 27 27 SER N N 27 118.100 118.100 117.668 0.432 18032
1237 1 3 . 1 1 27 27 SER HA H 27 4.300 4.300 4.557 -0.257 18032
1238 1 3 . 1 1 27 27 SER C C 27 172.100 172.100 173.545 -1.445 18032
1239 1 3 . 1 1 27 27 SER CA C 27 61.000 61.000 59.195 1.805 18032
1240 1 3 . 1 1 27 27 SER CB C 27 64.200 64.200 64.299 -0.099 18032
1241 1 3 . 1 1 27 27 SER H H 27 8.040 8.040 7.488 0.552 18032
1242 1 3 . 1 1 28 28 HIS N N 28 128.200 128.200 125.258 2.942 18032
1243 1 3 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.861 -0.121 18032
1244 1 3 . 1 1 28 28 HIS C C 28 178.200 178.200 175.921 2.279 18032
1245 1 3 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.132 0.168 18032
1246 1 3 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.894 0.706 18032
1247 1 3 . 1 1 28 28 HIS H H 28 10.680 10.680 8.929 1.751 18032
1248 1 3 . 1 1 29 29 ALA N N 29 130.100 130.100 131.477 -1.377 18032
1249 1 3 . 1 1 29 29 ALA HA H 29 3.950 3.950 3.985 -0.035 18032
1250 1 3 . 1 1 29 29 ALA C C 29 175.700 175.700 178.412 -2.712 18032
1251 1 3 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.851 0.049 18032
1252 1 3 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.737 0.063 18032
1253 1 3 . 1 1 29 29 ALA H H 29 9.270 9.270 8.648 0.622 18032
1254 1 3 . 1 1 30 30 ILE N N 30 113.300 113.300 115.046 -1.746 18032
1255 1 3 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.546 -0.336 18032
1256 1 3 . 1 1 30 30 ILE C C 30 177.200 177.200 177.876 -0.676 18032
1257 1 3 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.363 -0.463 18032
1258 1 3 . 1 1 30 30 ILE CB C 30 39.100 39.100 39.071 0.029 18032
1259 1 3 . 1 1 30 30 ILE H H 30 8.540 8.540 8.219 0.321 18032
1260 1 3 . 1 1 31 31 ASP N N 31 120.600 120.600 119.855 0.745 18032
1261 1 3 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.404 -0.224 18032
1262 1 3 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.998 0.502 18032
1263 1 3 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.142 -1.142 18032
1264 1 3 . 1 1 31 31 ASP H H 31 8.480 8.480 8.296 0.184 18032
1265 1 3 . 1 1 32 32 ASP N N 32 114.200 114.200 118.928 -4.728 18032
1266 1 3 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.698 0.362 18032
1267 1 3 . 1 1 32 32 ASP C C 32 177.500 177.500 178.318 -0.818 18032
1268 1 3 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.401 0.599 18032
1269 1 3 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.246 -0.046 18032
1270 1 3 . 1 1 32 32 ASP H H 32 8.450 8.450 7.903 0.547 18032
1271 1 3 . 1 1 33 33 LEU N N 33 114.000 114.000 119.241 -5.241 18032
1272 1 3 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.241 0.229 18032
1273 1 3 . 1 1 33 33 LEU C C 33 177.400 177.400 177.183 0.217 18032
1274 1 3 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.845 -0.945 18032
1275 1 3 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.541 -1.341 18032
1276 1 3 . 1 1 33 33 LEU H H 33 7.230 7.230 8.141 -0.911 18032
1277 1 3 . 1 1 34 34 GLY N N 34 107.000 107.000 106.221 0.779 18032
1278 1 3 . 1 1 34 34 GLY C C 34 174.500 174.500 174.441 0.059 18032
1279 1 3 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.136 1.764 18032
1280 1 3 . 1 1 34 34 GLY H H 34 7.330 7.330 7.851 -0.521 18032
1281 1 3 . 1 1 35 35 ILE N N 35 120.700 120.700 120.535 0.165 18032
1282 1 3 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.264 -0.154 18032
1283 1 3 . 1 1 35 35 ILE C C 35 175.300 175.300 175.301 -0.001 18032
1284 1 3 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.442 1.558 18032
1285 1 3 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.303 -1.403 18032
1286 1 3 . 1 1 35 35 ILE H H 35 7.820 7.820 7.981 -0.161 18032
1287 1 3 . 1 1 36 36 ASP N N 36 126.800 126.800 127.460 -0.660 18032
1288 1 3 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.794 0.046 18032
1289 1 3 . 1 1 36 36 ASP C C 36 177.100 177.100 177.660 -0.560 18032
1290 1 3 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.643 -2.043 18032
1291 1 3 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.430 0.070 18032
1292 1 3 . 1 1 36 36 ASP H H 36 8.780 8.780 8.333 0.447 18032
1293 1 3 . 1 1 37 37 SER N N 37 114.000 114.000 116.894 -2.894 18032
1294 1 3 . 1 1 37 37 SER HA H 37 4.170 4.170 4.487 -0.317 18032
1295 1 3 . 1 1 37 37 SER C C 37 175.700 175.700 176.471 -0.771 18032
1296 1 3 . 1 1 37 37 SER CA C 37 60.700 60.700 61.464 -0.764 18032
1297 1 3 . 1 1 37 37 SER CB C 37 65.800 65.800 62.835 2.965 18032
1298 1 3 . 1 1 37 37 SER H H 37 8.750 8.750 8.785 -0.035 18032
1299 1 3 . 1 1 38 38 LEU N N 38 123.200 123.200 121.476 1.724 18032
1300 1 3 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.195 0.025 18032
1301 1 3 . 1 1 38 38 LEU C C 38 180.200 180.200 179.107 1.093 18032
1302 1 3 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.811 -0.011 18032
1303 1 3 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.629 0.371 18032
1304 1 3 . 1 1 38 38 LEU H H 38 8.030 8.030 8.324 -0.294 18032
1305 1 3 . 1 1 39 39 ASP N N 39 121.500 121.500 119.680 1.820 18032
1306 1 3 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.477 -0.037 18032
1307 1 3 . 1 1 39 39 ASP C C 39 179.000 179.000 178.733 0.267 18032
1308 1 3 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.463 -0.263 18032
1309 1 3 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.728 0.472 18032
1310 1 3 . 1 1 39 39 ASP H H 39 8.390 8.390 7.801 0.589 18032
1311 1 3 . 1 1 40 40 PHE N N 40 118.900 118.900 121.072 -2.172 18032
1312 1 3 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.309 -0.259 18032
1313 1 3 . 1 1 40 40 PHE C C 40 177.500 177.500 176.832 0.668 18032
1314 1 3 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.331 1.469 18032
1315 1 3 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.225 -0.825 18032
1316 1 3 . 1 1 40 40 PHE H H 40 8.640 8.640 8.134 0.506 18032
1317 1 3 . 1 1 41 41 LEU N N 41 118.800 118.800 120.088 -1.288 18032
1318 1 3 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.804 0.176 18032
1319 1 3 . 1 1 41 41 LEU C C 41 179.300 179.300 178.469 0.831 18032
1320 1 3 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.454 -0.054 18032
1321 1 3 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.150 -0.150 18032
1322 1 3 . 1 1 41 41 LEU H H 41 7.660 7.660 7.905 -0.245 18032
1323 1 3 . 1 1 42 42 ASP N N 42 119.700 119.700 118.784 0.916 18032
1324 1 3 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.350 0.240 18032
1325 1 3 . 1 1 42 42 ASP C C 42 179.800 179.800 178.714 1.086 18032
1326 1 3 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.075 0.525 18032
1327 1 3 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.744 -0.444 18032
1328 1 3 . 1 1 42 42 ASP H H 42 7.320 7.320 7.615 -0.295 18032
1329 1 3 . 1 1 43 43 ILE N N 43 122.700 122.700 119.858 2.842 18032
1330 1 3 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.703 -0.183 18032
1331 1 3 . 1 1 43 43 ILE C C 43 177.100 177.100 177.786 -0.686 18032
1332 1 3 . 1 1 43 43 ILE CA C 43 65.200 65.200 65.112 0.088 18032
1333 1 3 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.864 0.036 18032
1334 1 3 . 1 1 43 43 ILE H H 43 8.090 8.090 7.888 0.202 18032
1335 1 3 . 1 1 44 44 ALA N N 44 122.600 122.600 122.661 -0.061 18032
1336 1 3 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.895 -0.035 18032
1337 1 3 . 1 1 44 44 ALA C C 44 178.500 178.500 179.524 -1.024 18032
1338 1 3 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.837 0.863 18032
1339 1 3 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.903 0.397 18032
1340 1 3 . 1 1 44 44 ALA H H 44 8.830 8.830 7.591 1.239 18032
1341 1 3 . 1 1 45 45 PHE N N 45 117.300 117.300 118.815 -1.515 18032
1342 1 3 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.471 0.029 18032
1343 1 3 . 1 1 45 45 PHE C C 45 178.300 178.300 177.688 0.612 18032
1344 1 3 . 1 1 45 45 PHE CA C 45 60.600 60.600 60.259 0.341 18032
1345 1 3 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.444 0.256 18032
1346 1 3 . 1 1 45 45 PHE H H 45 8.090 8.090 8.262 -0.172 18032
1347 1 3 . 1 1 46 46 ALA N N 46 121.600 121.600 122.866 -1.266 18032
1348 1 3 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.100 0.070 18032
1349 1 3 . 1 1 46 46 ALA C C 46 181.400 181.400 179.787 1.613 18032
1350 1 3 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.135 -0.135 18032
1351 1 3 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.039 1.161 18032
1352 1 3 . 1 1 46 46 ALA H H 46 7.780 7.780 7.934 -0.154 18032
1353 1 3 . 1 1 47 47 ILE N N 47 122.900 122.900 119.156 3.744 18032
1354 1 3 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.778 0.002 18032
1355 1 3 . 1 1 47 47 ILE C C 47 177.000 177.000 177.659 -0.659 18032
1356 1 3 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.684 0.316 18032
1357 1 3 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.644 0.356 18032
1358 1 3 . 1 1 47 47 ILE H H 47 8.960 8.960 7.841 1.119 18032
1359 1 3 . 1 1 48 48 ASP N N 48 123.900 123.900 120.699 3.201 18032
1360 1 3 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.334 0.036 18032
1361 1 3 . 1 1 48 48 ASP C C 48 180.200 180.200 178.837 1.363 18032
1362 1 3 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.407 0.293 18032
1363 1 3 . 1 1 48 48 ASP CB C 48 40.300 40.300 39.960 0.340 18032
1364 1 3 . 1 1 48 48 ASP H H 48 8.950 8.950 8.232 0.718 18032
1365 1 3 . 1 1 49 49 LYS N N 49 117.500 117.500 119.152 -1.652 18032
1366 1 3 . 1 1 49 49 LYS HA H 49 4.020 4.020 3.936 0.084 18032
1367 1 3 . 1 1 49 49 LYS C C 49 178.800 178.800 179.188 -0.388 18032
1368 1 3 . 1 1 49 49 LYS CA C 49 58.600 58.600 59.179 -0.579 18032
1369 1 3 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.449 0.151 18032
1370 1 3 . 1 1 49 49 LYS H H 49 7.590 7.590 7.790 -0.200 18032
1371 1 3 . 1 1 50 50 ALA N N 50 121.100 121.100 121.600 -0.500 18032
1372 1 3 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.107 -0.077 18032
1373 1 3 . 1 1 50 50 ALA C C 50 179.400 179.400 179.473 -0.073 18032
1374 1 3 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.552 0.048 18032
1375 1 3 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.652 0.448 18032
1376 1 3 . 1 1 50 50 ALA H H 50 8.180 8.180 7.606 0.574 18032
1377 1 3 . 1 1 51 51 PHE N N 51 111.600 111.600 114.972 -3.372 18032
1378 1 3 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.524 0.016 18032
1379 1 3 . 1 1 51 51 PHE C C 51 176.200 176.200 176.057 0.143 18032
1380 1 3 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.778 -0.378 18032
1381 1 3 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.479 1.021 18032
1382 1 3 . 1 1 51 51 PHE H H 51 8.620 8.620 8.130 0.490 18032
1383 1 3 . 1 1 52 52 GLY N N 52 112.100 112.100 107.579 4.521 18032
1384 1 3 . 1 1 52 52 GLY C C 52 174.900 174.900 174.212 0.688 18032
1385 1 3 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.637 1.863 18032
1386 1 3 . 1 1 52 52 GLY H H 52 8.140 8.140 7.897 0.243 18032
1387 1 3 . 1 1 53 53 ILE N N 53 111.000 111.000 115.386 -4.386 18032
1388 1 3 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.406 0.264 18032
1389 1 3 . 1 1 53 53 ILE C C 53 173.500 173.500 173.723 -0.223 18032
1390 1 3 . 1 1 53 53 ILE CA C 53 58.600 58.600 59.354 -0.754 18032
1391 1 3 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.629 3.271 18032
1392 1 3 . 1 1 53 53 ILE H H 53 7.520 7.520 7.465 0.055 18032
1393 1 3 . 1 1 54 54 LYS N N 54 119.600 119.600 119.687 -0.087 18032
1394 1 3 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.489 0.121 18032
1395 1 3 . 1 1 54 54 LYS C C 54 175.900 175.900 175.021 0.879 18032
1396 1 3 . 1 1 54 54 LYS CA C 54 53.300 53.300 53.945 -0.645 18032
1397 1 3 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.769 -0.769 18032
1398 1 3 . 1 1 54 54 LYS H H 54 7.940 7.940 8.074 -0.134 18032
1399 1 3 . 1 1 55 55 LEU N N 55 130.800 130.800 127.083 3.717 18032
1400 1 3 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.382 -0.532 18032
1401 1 3 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.439 0.861 18032
1402 1 3 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.640 0.360 18032
1403 1 3 . 1 1 55 55 LEU H H 55 10.700 10.700 8.287 2.413 18032
1404 1 3 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.054 0.546 18032
1405 1 3 . 1 1 56 56 PRO C C 56 174.600 174.600 175.886 -1.286 18032
1406 1 3 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.445 -0.945 18032
1407 1 3 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.451 -1.951 18032
1408 1 3 . 1 1 57 57 LEU N N 57 121.300 121.300 121.814 -0.514 18032
1409 1 3 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.748 -0.338 18032
1410 1 3 . 1 1 57 57 LEU C C 57 179.100 179.100 177.858 1.242 18032
1411 1 3 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.324 -0.124 18032
1412 1 3 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.633 0.467 18032
1413 1 3 . 1 1 57 57 LEU H H 57 7.490 7.490 7.981 -0.491 18032
1414 1 3 . 1 1 58 58 GLU N N 58 119.200 119.200 118.357 0.843 18032
1415 1 3 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.970 0.010 18032
1416 1 3 . 1 1 58 58 GLU C C 58 178.500 178.500 178.608 -0.108 18032
1417 1 3 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.869 0.031 18032
1418 1 3 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.017 -0.317 18032
1419 1 3 . 1 1 58 58 GLU H H 58 8.860 8.860 8.567 0.293 18032
1420 1 3 . 1 1 59 59 LYS N N 59 122.100 122.100 120.553 1.547 18032
1421 1 3 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.046 0.054 18032
1422 1 3 . 1 1 59 59 LYS C C 59 178.700 178.700 178.914 -0.214 18032
1423 1 3 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.245 -0.345 18032
1424 1 3 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.049 0.151 18032
1425 1 3 . 1 1 59 59 LYS H H 59 7.420 7.420 7.892 -0.472 18032
1426 1 3 . 1 1 60 60 TRP N N 60 120.000 120.000 118.507 1.493 18032
1427 1 3 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.707 -0.506 18032
1428 1 3 . 1 1 60 60 TRP C C 60 178.300 178.300 179.516 -1.216 18032
1429 1 3 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.863 -0.163 18032
1430 1 3 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.052 0.548 18032
1431 1 3 . 1 1 60 60 TRP H H 60 8.140 8.140 8.202 -0.062 18032
1432 1 3 . 1 1 61 61 THR N N 61 113.200 113.200 115.407 -2.207 18032
1433 1 3 . 1 1 61 61 THR HA H 61 3.870 3.870 4.240 -0.370 18032
1434 1 3 . 1 1 61 61 THR C C 61 176.300 176.300 177.338 -1.038 18032
1435 1 3 . 1 1 61 61 THR CA C 61 67.100 67.100 67.173 -0.073 18032
1436 1 3 . 1 1 61 61 THR CB C 61 68.900 68.900 68.313 0.587 18032
1437 1 3 . 1 1 61 61 THR H H 61 8.390 8.390 8.279 0.111 18032
1438 1 3 . 1 1 62 62 GLN N N 62 122.300 122.300 120.533 1.767 18032
1439 1 3 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.241 -0.201 18032
1440 1 3 . 1 1 62 62 GLN C C 62 177.900 177.900 178.610 -0.710 18032
1441 1 3 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.345 0.655 18032
1442 1 3 . 1 1 62 62 GLN CB C 62 28.100 28.100 27.873 0.227 18032
1443 1 3 . 1 1 62 62 GLN H H 62 7.810 7.810 7.859 -0.049 18032
1444 1 3 . 1 1 63 63 GLU N N 63 119.000 119.000 120.675 -1.675 18032
1445 1 3 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.104 -0.034 18032
1446 1 3 . 1 1 63 63 GLU C C 63 180.000 180.000 179.143 0.857 18032
1447 1 3 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.504 0.696 18032
1448 1 3 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.719 0.681 18032
1449 1 3 . 1 1 63 63 GLU H H 63 8.410 8.410 8.133 0.277 18032
1450 1 3 . 1 1 64 64 VAL N N 64 119.600 119.600 119.870 -0.270 18032
1451 1 3 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.989 0.131 18032
1452 1 3 . 1 1 64 64 VAL C C 64 180.600 180.600 178.646 1.954 18032
1453 1 3 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.574 -1.174 18032
1454 1 3 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.796 0.104 18032
1455 1 3 . 1 1 64 64 VAL H H 64 8.170 8.170 8.476 -0.306 18032
1456 1 3 . 1 1 65 65 ASN N N 65 121.700 121.700 118.485 3.215 18032
1457 1 3 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.546 -0.036 18032
1458 1 3 . 1 1 65 65 ASN C C 65 177.300 177.300 176.431 0.869 18032
1459 1 3 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.780 0.520 18032
1460 1 3 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.155 -0.055 18032
1461 1 3 . 1 1 65 65 ASN H H 65 8.550 8.550 8.185 0.365 18032
1462 1 3 . 1 1 66 66 ASP N N 66 118.000 118.000 118.135 -0.135 18032
1463 1 3 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.750 0.020 18032
1464 1 3 . 1 1 66 66 ASP C C 66 177.000 177.000 176.818 0.182 18032
1465 1 3 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.840 0.960 18032
1466 1 3 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.408 -0.108 18032
1467 1 3 . 1 1 66 66 ASP H H 66 8.470 8.470 7.881 0.589 18032
1468 1 3 . 1 1 67 67 GLY N N 67 108.600 108.600 107.743 0.857 18032
1469 1 3 . 1 1 67 67 GLY C C 67 174.800 174.800 175.576 -0.776 18032
1470 1 3 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.758 0.242 18032
1471 1 3 . 1 1 67 67 GLY H H 67 8.100 8.100 7.638 0.462 18032
1472 1 3 . 1 1 68 68 LYS N N 68 118.900 118.900 118.392 0.508 18032
1473 1 3 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.376 -0.066 18032
1474 1 3 . 1 1 68 68 LYS C C 68 175.100 175.100 176.472 -1.372 18032
1475 1 3 . 1 1 68 68 LYS CA C 68 56.400 56.400 56.436 -0.036 18032
1476 1 3 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.609 -0.109 18032
1477 1 3 . 1 1 68 68 LYS H H 68 8.400 8.400 8.353 0.047 18032
1478 1 3 . 1 1 69 69 ALA N N 69 120.400 120.400 121.886 -1.486 18032
1479 1 3 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.834 -0.204 18032
1480 1 3 . 1 1 69 69 ALA C C 69 175.900 175.900 175.729 0.171 18032
1481 1 3 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.223 -0.723 18032
1482 1 3 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.253 2.747 18032
1483 1 3 . 1 1 69 69 ALA H H 69 7.490 7.490 7.661 -0.171 18032
1484 1 3 . 1 1 70 70 THR N N 70 109.700 109.700 110.090 -0.390 18032
1485 1 3 . 1 1 70 70 THR HA H 70 4.750 4.750 4.710 0.040 18032
1486 1 3 . 1 1 70 70 THR C C 70 175.600 175.600 175.824 -0.224 18032
1487 1 3 . 1 1 70 70 THR CA C 70 59.600 59.600 59.769 -0.169 18032
1488 1 3 . 1 1 70 70 THR CB C 70 70.700 70.700 71.500 -0.800 18032
1489 1 3 . 1 1 70 70 THR H H 70 7.930 7.930 8.015 -0.085 18032
1490 1 3 . 1 1 71 71 THR N N 71 111.300 111.300 113.941 -2.641 18032
1491 1 3 . 1 1 71 71 THR HA H 71 4.110 4.110 3.948 0.162 18032
1492 1 3 . 1 1 71 71 THR C C 71 177.500 177.500 176.865 0.635 18032
1493 1 3 . 1 1 71 71 THR CA C 71 65.100 65.100 65.500 -0.400 18032
1494 1 3 . 1 1 71 71 THR CB C 71 68.900 68.900 68.374 0.526 18032
1495 1 3 . 1 1 71 71 THR H H 71 9.030 9.030 8.486 0.544 18032
1496 1 3 . 1 1 72 72 GLU N N 72 122.300 122.300 121.694 0.606 18032
1497 1 3 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.177 -0.317 18032
1498 1 3 . 1 1 72 72 GLU C C 72 177.500 177.500 178.977 -1.477 18032
1499 1 3 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.636 0.265 18032
1500 1 3 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.051 0.949 18032
1501 1 3 . 1 1 72 72 GLU H H 72 8.830 8.830 8.937 -0.107 18032
1502 1 3 . 1 1 73 73 GLN N N 73 116.900 116.900 119.242 -2.342 18032
1503 1 3 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.935 -0.305 18032
1504 1 3 . 1 1 73 73 GLN C C 73 174.000 174.000 177.264 -3.264 18032
1505 1 3 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.355 -0.355 18032
1506 1 3 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.560 0.040 18032
1507 1 3 . 1 1 73 73 GLN H H 73 7.280 7.280 8.066 -0.786 18032
1508 1 3 . 1 1 74 74 TYR N N 74 112.700 112.700 114.500 -1.800 18032
1509 1 3 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.267 -0.187 18032
1510 1 3 . 1 1 74 74 TYR C C 74 173.900 173.900 176.306 -2.406 18032
1511 1 3 . 1 1 74 74 TYR CA C 74 56.800 56.800 59.768 -2.968 18032
1512 1 3 . 1 1 74 74 TYR CB C 74 40.300 40.300 40.598 -0.298 18032
1513 1 3 . 1 1 74 74 TYR H H 74 6.310 6.310 7.840 -1.530 18032
1514 1 3 . 1 1 75 75 PHE N N 75 108.000 108.000 117.023 -9.023 18032
1515 1 3 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.448 0.212 18032
1516 1 3 . 1 1 75 75 PHE C C 75 177.900 177.900 174.763 3.137 18032
1517 1 3 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.093 -1.694 18032
1518 1 3 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.143 0.557 18032
1519 1 3 . 1 1 75 75 PHE H H 75 7.760 7.760 8.218 -0.458 18032
1520 1 3 . 1 1 76 76 VAL N N 76 120.700 120.700 120.272 0.428 18032
1521 1 3 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.448 0.322 18032
1522 1 3 . 1 1 76 76 VAL C C 76 180.000 180.000 176.778 3.222 18032
1523 1 3 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.437 1.464 18032
1524 1 3 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.716 -1.516 18032
1525 1 3 . 1 1 76 76 VAL H H 76 7.010 7.010 7.585 -0.575 18032
1526 1 3 . 1 1 77 77 LEU N N 77 131.600 131.600 128.158 3.442 18032
1527 1 3 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.102 -0.072 18032
1528 1 3 . 1 1 77 77 LEU C C 77 179.000 179.000 179.073 -0.073 18032
1529 1 3 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.494 0.606 18032
1530 1 3 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.002 -0.002 18032
1531 1 3 . 1 1 77 77 LEU H H 77 8.860 8.860 8.833 0.027 18032
1532 1 3 . 1 1 78 78 LYS N N 78 116.700 116.700 119.057 -2.357 18032
1533 1 3 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.969 0.241 18032
1534 1 3 . 1 1 78 78 LYS C C 78 178.000 178.000 178.733 -0.733 18032
1535 1 3 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.136 -0.036 18032
1536 1 3 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.709 -0.609 18032
1537 1 3 . 1 1 78 78 LYS H H 78 9.540 9.540 8.304 1.236 18032
1538 1 3 . 1 1 79 79 ASN N N 79 121.500 121.500 119.710 1.790 18032
1539 1 3 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.463 0.187 18032
1540 1 3 . 1 1 79 79 ASN C C 79 176.200 176.200 177.601 -1.401 18032
1541 1 3 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.370 -0.770 18032
1542 1 3 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.014 -0.814 18032
1543 1 3 . 1 1 79 79 ASN H H 79 7.340 7.340 7.784 -0.444 18032
1544 1 3 . 1 1 80 80 LEU N N 80 124.300 124.300 122.123 2.177 18032
1545 1 3 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.013 0.017 18032
1546 1 3 . 1 1 80 80 LEU C C 80 178.700 178.700 178.271 0.429 18032
1547 1 3 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.345 0.455 18032
1548 1 3 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.687 -0.887 18032
1549 1 3 . 1 1 80 80 LEU H H 80 8.260 8.260 8.568 -0.308 18032
1550 1 3 . 1 1 81 81 ALA N N 81 118.100 118.100 120.404 -2.304 18032
1551 1 3 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.886 -0.016 18032
1552 1 3 . 1 1 81 81 ALA C C 81 177.600 177.600 179.012 -1.412 18032
1553 1 3 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.069 0.131 18032
1554 1 3 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.053 -0.753 18032
1555 1 3 . 1 1 81 81 ALA H H 81 8.580 8.580 7.687 0.893 18032
1556 1 3 . 1 1 82 82 ALA N N 82 119.800 119.800 120.263 -0.463 18032
1557 1 3 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.123 0.087 18032
1558 1 3 . 1 1 82 82 ALA C C 82 180.700 180.700 179.938 0.762 18032
1559 1 3 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.700 0.700 18032
1560 1 3 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.317 -0.417 18032
1561 1 3 . 1 1 82 82 ALA H H 82 7.230 7.230 7.734 -0.504 18032
1562 1 3 . 1 1 83 83 ARG N N 83 118.300 118.300 119.253 -0.953 18032
1563 1 3 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.123 0.217 18032
1564 1 3 . 1 1 83 83 ARG C C 83 180.500 180.500 178.867 1.633 18032
1565 1 3 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.777 0.723 18032
1566 1 3 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.609 2.291 18032
1567 1 3 . 1 1 83 83 ARG H H 83 8.510 8.510 7.964 0.546 18032
1568 1 3 . 1 1 84 84 ILE N N 84 121.300 121.300 120.385 0.915 18032
1569 1 3 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.581 -0.201 18032
1570 1 3 . 1 1 84 84 ILE C C 84 177.300 177.300 177.684 -0.384 18032
1571 1 3 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.617 0.583 18032
1572 1 3 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.349 0.351 18032
1573 1 3 . 1 1 84 84 ILE H H 84 8.340 8.340 8.055 0.285 18032
1574 1 3 . 1 1 85 85 ASP N N 85 120.200 120.200 119.293 0.907 18032
1575 1 3 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.257 0.153 18032
1576 1 3 . 1 1 85 85 ASP C C 85 180.200 180.200 178.375 1.825 18032
1577 1 3 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.566 0.433 18032
1578 1 3 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.990 -1.490 18032
1579 1 3 . 1 1 85 85 ASP H H 85 8.330 8.330 8.121 0.209 18032
1580 1 3 . 1 1 86 86 GLU N N 86 121.100 121.100 119.896 1.204 18032
1581 1 3 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.085 0.035 18032
1582 1 3 . 1 1 86 86 GLU C C 86 179.800 179.800 179.100 0.700 18032
1583 1 3 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.248 0.052 18032
1584 1 3 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.583 -0.083 18032
1585 1 3 . 1 1 86 86 GLU H H 86 8.060 8.060 7.868 0.192 18032
1586 1 3 . 1 1 87 87 LEU N N 87 122.700 122.700 119.203 3.497 18032
1587 1 3 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.156 0.044 18032
1588 1 3 . 1 1 87 87 LEU C C 87 180.500 180.500 179.454 1.046 18032
1589 1 3 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.315 0.885 18032
1590 1 3 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.061 0.039 18032
1591 1 3 . 1 1 87 87 LEU H H 87 8.090 8.090 7.625 0.465 18032
1592 1 3 . 1 1 88 88 VAL N N 88 122.800 122.800 118.959 3.841 18032
1593 1 3 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.771 -0.231 18032
1594 1 3 . 1 1 88 88 VAL C C 88 179.200 179.200 178.004 1.196 18032
1595 1 3 . 1 1 88 88 VAL CA C 88 66.800 66.800 65.230 1.571 18032
1596 1 3 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.761 1.540 18032
1597 1 3 . 1 1 88 88 VAL H H 88 9.030 9.030 7.954 1.076 18032
1598 1 3 . 1 1 89 89 ALA N N 89 122.900 122.900 122.612 0.288 18032
1599 1 3 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.146 0.074 18032
1600 1 3 . 1 1 89 89 ALA C C 89 180.000 180.000 179.456 0.544 18032
1601 1 3 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.015 -0.315 18032
1602 1 3 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.113 -0.113 18032
1603 1 3 . 1 1 89 89 ALA H H 89 8.170 8.170 8.136 0.034 18032
1604 1 3 . 1 1 90 90 ALA N N 90 120.100 120.100 120.961 -0.861 18032
1605 1 3 . 1 1 90 90 ALA HA H 90 4.270 4.270 3.962 0.308 18032
1606 1 3 . 1 1 90 90 ALA C C 90 179.200 179.200 178.582 0.618 18032
1607 1 3 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.905 -1.005 18032
1608 1 3 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.330 0.170 18032
1609 1 3 . 1 1 90 90 ALA H H 90 7.820 7.820 7.990 -0.170 18032
1610 1 3 . 1 1 91 91 LYS N N 91 118.900 118.900 117.433 1.467 18032
1611 1 3 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.176 0.014 18032
1612 1 3 . 1 1 91 91 LYS C C 91 178.400 178.400 177.727 0.673 18032
1613 1 3 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.382 0.118 18032
1614 1 3 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.831 -0.431 18032
1615 1 3 . 1 1 91 91 LYS H H 91 7.660 7.660 7.626 0.034 18032
1616 1 3 . 1 1 92 92 GLY N N 92 107.200 107.200 105.819 1.381 18032
1617 1 3 . 1 1 92 92 GLY C C 92 174.700 174.700 175.585 -0.885 18032
1618 1 3 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.475 0.525 18032
1619 1 3 . 1 1 92 92 GLY H H 92 8.090 8.090 7.627 0.463 18032
1620 1 3 . 1 1 93 93 ALA N N 93 123.300 123.300 122.747 0.553 18032
1621 1 3 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.478 -0.158 18032
1622 1 3 . 1 1 93 93 ALA C C 93 178.300 178.300 177.070 1.230 18032
1623 1 3 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.126 0.974 18032
1624 1 3 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.335 -0.336 18032
1625 1 3 . 1 1 93 93 ALA H H 93 7.900 7.900 7.694 0.206 18032
1626 1 3 . 1 1 94 94 LEU N N 94 119.800 119.800 114.797 5.003 18032
1627 1 3 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.425 0.865 18032
1628 1 3 . 1 1 94 94 LEU C C 94 177.900 177.900 177.213 0.687 18032
1629 1 3 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.763 0.137 18032
1630 1 3 . 1 1 94 94 LEU CB C 94 42.300 42.300 39.845 2.455 18032
1631 1 3 . 1 1 94 94 LEU H H 94 7.940 7.940 7.372 0.568 18032
1632 1 3 . 1 1 95 95 GLU N N 95 120.100 120.100 120.181 -0.081 18032
1633 1 3 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.075 0.115 18032
1634 1 3 . 1 1 95 95 GLU C C 95 176.500 176.500 176.016 0.484 18032
1635 1 3 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.147 0.753 18032
1636 1 3 . 1 1 95 95 GLU CB C 95 30.200 30.200 30.464 -0.264 18032
1637 1 3 . 1 1 95 95 GLU H H 95 8.130 8.130 7.661 0.469 18032
1638 1 3 . 1 1 96 96 HIS N N 96 119.200 119.200 115.065 4.135 18032
1639 1 3 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.553 -0.253 18032
1640 1 3 . 1 1 96 96 HIS CB C 96 30.300 30.300 27.090 3.210 18032
1641 1 3 . 1 1 96 96 HIS H H 96 8.160 8.160 7.973 0.187 18032
1642 1 4 . 1 1 2 2 THR HA H 2 4.580 4.580 4.587 -0.007 18032
1643 1 4 . 1 1 2 2 THR C C 2 174.500 174.500 173.876 0.624 18032
1644 1 4 . 1 1 2 2 THR CA C 2 61.700 61.700 61.888 -0.188 18032
1645 1 4 . 1 1 2 2 THR CB C 2 70.400 70.400 69.587 0.813 18032
1646 1 4 . 1 1 3 3 SER N N 3 120.600 120.600 122.819 -2.219 18032
1647 1 4 . 1 1 3 3 SER HA H 3 4.770 4.770 4.588 0.182 18032
1648 1 4 . 1 1 3 3 SER C C 3 175.100 175.100 175.957 -0.857 18032
1649 1 4 . 1 1 3 3 SER CA C 3 58.300 58.300 58.690 -0.390 18032
1650 1 4 . 1 1 3 3 SER CB C 3 65.000 65.000 64.256 0.744 18032
1651 1 4 . 1 1 3 3 SER H H 3 9.090 9.090 8.733 0.357 18032
1652 1 4 . 1 1 4 4 THR N N 4 120.500 120.500 122.111 -1.611 18032
1653 1 4 . 1 1 4 4 THR HA H 4 4.230 4.230 4.261 -0.031 18032
1654 1 4 . 1 1 4 4 THR C C 4 176.200 176.200 176.454 -0.254 18032
1655 1 4 . 1 1 4 4 THR CA C 4 67.700 67.700 66.877 0.823 18032
1656 1 4 . 1 1 4 4 THR CB C 4 67.500 67.500 69.036 -1.536 18032
1657 1 4 . 1 1 4 4 THR H H 4 8.890 8.890 8.850 0.040 18032
1658 1 4 . 1 1 5 5 PHE N N 5 121.100 121.100 121.953 -0.853 18032
1659 1 4 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.238 -0.438 18032
1660 1 4 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.095 1.605 18032
1661 1 4 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.870 -0.170 18032
1662 1 4 . 1 1 5 5 PHE H H 5 9.110 9.110 8.432 0.678 18032
1663 1 4 . 1 1 6 6 ASP N N 6 119.800 119.800 119.229 0.571 18032
1664 1 4 . 1 1 6 6 ASP HA H 6 3.840 3.840 3.891 -0.051 18032
1665 1 4 . 1 1 6 6 ASP C C 6 179.200 179.200 178.526 0.674 18032
1666 1 4 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.637 0.263 18032
1667 1 4 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.441 0.459 18032
1668 1 4 . 1 1 6 6 ASP H H 6 8.120 8.120 7.827 0.293 18032
1669 1 4 . 1 1 7 7 ARG N N 7 119.200 119.200 119.902 -0.702 18032
1670 1 4 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.060 0.010 18032
1671 1 4 . 1 1 7 7 ARG C C 7 179.400 179.400 178.809 0.591 18032
1672 1 4 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.691 0.610 18032
1673 1 4 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.898 1.202 18032
1674 1 4 . 1 1 7 7 ARG H H 7 8.020 8.020 7.562 0.458 18032
1675 1 4 . 1 1 8 8 VAL N N 8 120.600 120.600 119.539 1.061 18032
1676 1 4 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.701 -0.191 18032
1677 1 4 . 1 1 8 8 VAL C C 8 176.800 176.800 177.827 -1.027 18032
1678 1 4 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.904 0.096 18032
1679 1 4 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.573 0.027 18032
1680 1 4 . 1 1 8 8 VAL H H 8 8.520 8.520 8.258 0.262 18032
1681 1 4 . 1 1 9 9 ALA N N 9 122.800 122.800 120.615 2.185 18032
1682 1 4 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.992 -0.322 18032
1683 1 4 . 1 1 9 9 ALA C C 9 179.000 179.000 179.811 -0.811 18032
1684 1 4 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.401 0.399 18032
1685 1 4 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.758 -0.557 18032
1686 1 4 . 1 1 9 9 ALA H H 9 8.920 8.920 8.312 0.608 18032
1687 1 4 . 1 1 10 10 THR N N 10 114.300 114.300 116.148 -1.848 18032
1688 1 4 . 1 1 10 10 THR HA H 10 3.800 3.800 4.009 -0.209 18032
1689 1 4 . 1 1 10 10 THR C C 10 175.500 175.500 176.476 -0.976 18032
1690 1 4 . 1 1 10 10 THR CA C 10 67.400 67.400 67.262 0.138 18032
1691 1 4 . 1 1 10 10 THR CB C 10 68.900 68.900 68.522 0.379 18032
1692 1 4 . 1 1 10 10 THR H H 10 7.790 7.790 7.650 0.140 18032
1693 1 4 . 1 1 11 11 ILE N N 11 122.100 122.100 121.691 0.409 18032
1694 1 4 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.699 0.181 18032
1695 1 4 . 1 1 11 11 ILE C C 11 179.700 179.700 178.105 1.595 18032
1696 1 4 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.504 -0.004 18032
1697 1 4 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.580 1.020 18032
1698 1 4 . 1 1 11 11 ILE H H 11 7.760 7.760 7.774 -0.014 18032
1699 1 4 . 1 1 12 12 ILE N N 12 123.100 123.100 120.401 2.699 18032
1700 1 4 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.624 -0.214 18032
1701 1 4 . 1 1 12 12 ILE C C 12 176.800 176.800 177.897 -1.097 18032
1702 1 4 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.374 1.626 18032
1703 1 4 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.484 0.416 18032
1704 1 4 . 1 1 12 12 ILE H H 12 8.750 8.750 7.992 0.758 18032
1705 1 4 . 1 1 13 13 ALA N N 13 122.600 122.600 122.887 -0.287 18032
1706 1 4 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.380 -0.100 18032
1707 1 4 . 1 1 13 13 ALA C C 13 180.700 180.700 179.907 0.793 18032
1708 1 4 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.110 0.590 18032
1709 1 4 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.324 0.276 18032
1710 1 4 . 1 1 13 13 ALA H H 13 8.430 8.430 7.949 0.481 18032
1711 1 4 . 1 1 14 14 GLU N N 14 114.500 114.500 116.473 -1.973 18032
1712 1 4 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.168 0.022 18032
1713 1 4 . 1 1 14 14 GLU C C 14 179.100 179.100 179.161 -0.061 18032
1714 1 4 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.267 0.133 18032
1715 1 4 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.420 0.580 18032
1716 1 4 . 1 1 14 14 GLU H H 14 8.290 8.290 7.940 0.350 18032
1717 1 4 . 1 1 15 15 THR N N 15 115.500 115.500 114.576 0.924 18032
1718 1 4 . 1 1 15 15 THR HA H 15 4.080 4.080 4.170 -0.090 18032
1719 1 4 . 1 1 15 15 THR C C 15 176.200 176.200 175.868 0.332 18032
1720 1 4 . 1 1 15 15 THR CA C 15 66.500 66.500 65.113 1.387 18032
1721 1 4 . 1 1 15 15 THR CB C 15 69.400 69.400 69.825 -0.425 18032
1722 1 4 . 1 1 15 15 THR H H 15 8.390 8.390 8.139 0.251 18032
1723 1 4 . 1 1 16 16 CYS N N 16 116.000 116.000 119.294 -3.294 18032
1724 1 4 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.614 -0.044 18032
1725 1 4 . 1 1 16 16 CYS C C 16 173.700 173.700 173.651 0.049 18032
1726 1 4 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.450 0.750 18032
1727 1 4 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.716 0.884 18032
1728 1 4 . 1 1 16 16 CYS H H 16 8.130 8.130 8.059 0.071 18032
1729 1 4 . 1 1 17 17 ASP N N 17 119.900 119.900 120.809 -0.909 18032
1730 1 4 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.570 -0.160 18032
1731 1 4 . 1 1 17 17 ASP C C 17 174.700 174.700 174.421 0.279 18032
1732 1 4 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.309 -0.108 18032
1733 1 4 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.991 -1.091 18032
1734 1 4 . 1 1 17 17 ASP H H 17 7.740 7.740 7.964 -0.224 18032
1735 1 4 . 1 1 18 18 ILE N N 18 119.100 119.100 120.290 -1.190 18032
1736 1 4 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.608 -0.018 18032
1737 1 4 . 1 1 18 18 ILE C C 18 179.400 179.400 174.023 5.377 18032
1738 1 4 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.877 0.923 18032
1739 1 4 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.180 2.820 18032
1740 1 4 . 1 1 18 18 ILE H H 18 7.410 7.410 7.451 -0.041 18032
1741 1 4 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.445 -0.075 18032
1742 1 4 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.670 -0.570 18032
1743 1 4 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.955 0.145 18032
1744 1 4 . 1 1 20 20 ARG N N 20 129.100 129.100 126.713 2.387 18032
1745 1 4 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.881 -0.021 18032
1746 1 4 . 1 1 20 20 ARG C C 20 178.500 178.500 178.272 0.228 18032
1747 1 4 . 1 1 20 20 ARG CA C 20 58.800 58.800 58.939 -0.139 18032
1748 1 4 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.839 -0.339 18032
1749 1 4 . 1 1 20 20 ARG H H 20 9.150 9.150 8.808 0.342 18032
1750 1 4 . 1 1 21 21 GLU N N 21 117.300 117.300 117.353 -0.053 18032
1751 1 4 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.190 0.110 18032
1752 1 4 . 1 1 21 21 GLU C C 21 177.200 177.200 177.410 -0.210 18032
1753 1 4 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.591 0.009 18032
1754 1 4 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.956 -0.456 18032
1755 1 4 . 1 1 21 21 GLU H H 21 9.820 9.820 8.796 1.024 18032
1756 1 4 . 1 1 22 22 THR N N 22 110.200 110.200 110.671 -0.471 18032
1757 1 4 . 1 1 22 22 THR HA H 22 4.340 4.340 4.351 -0.011 18032
1758 1 4 . 1 1 22 22 THR C C 22 173.000 173.000 174.479 -1.479 18032
1759 1 4 . 1 1 22 22 THR CA C 22 62.300 62.300 62.273 0.027 18032
1760 1 4 . 1 1 22 22 THR CB C 22 70.000 70.000 69.559 0.441 18032
1761 1 4 . 1 1 22 22 THR H H 22 7.780 7.780 7.700 0.080 18032
1762 1 4 . 1 1 23 23 ILE N N 23 122.600 122.600 125.723 -3.123 18032
1763 1 4 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.394 -0.394 18032
1764 1 4 . 1 1 23 23 ILE C C 23 174.700 174.700 174.651 0.049 18032
1765 1 4 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.727 1.873 18032
1766 1 4 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.040 1.460 18032
1767 1 4 . 1 1 23 23 ILE H H 23 7.590 7.590 7.399 0.191 18032
1768 1 4 . 1 1 24 24 THR N N 24 118.600 118.600 118.371 0.229 18032
1769 1 4 . 1 1 24 24 THR HA H 24 5.290 5.290 4.975 0.315 18032
1770 1 4 . 1 1 24 24 THR CA C 24 59.000 59.000 58.580 0.420 18032
1771 1 4 . 1 1 24 24 THR CB C 24 69.800 69.800 69.821 -0.021 18032
1772 1 4 . 1 1 24 24 THR H H 24 8.580 8.580 8.165 0.415 18032
1773 1 4 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.301 0.469 18032
1774 1 4 . 1 1 25 25 PRO C C 25 176.200 176.200 177.063 -0.863 18032
1775 1 4 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.294 0.606 18032
1776 1 4 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.341 0.459 18032
1777 1 4 . 1 1 26 26 GLU N N 26 110.900 110.900 115.877 -4.977 18032
1778 1 4 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.360 -0.190 18032
1779 1 4 . 1 1 26 26 GLU C C 26 176.900 176.900 175.820 1.080 18032
1780 1 4 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.254 1.046 18032
1781 1 4 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.576 -0.076 18032
1782 1 4 . 1 1 26 26 GLU H H 26 7.380 7.380 8.292 -0.912 18032
1783 1 4 . 1 1 27 27 SER N N 27 118.100 118.100 116.500 1.600 18032
1784 1 4 . 1 1 27 27 SER HA H 27 4.300 4.300 4.528 -0.228 18032
1785 1 4 . 1 1 27 27 SER C C 27 172.100 172.100 173.415 -1.315 18032
1786 1 4 . 1 1 27 27 SER CA C 27 61.000 61.000 58.909 2.091 18032
1787 1 4 . 1 1 27 27 SER CB C 27 64.200 64.200 64.364 -0.164 18032
1788 1 4 . 1 1 27 27 SER H H 27 8.040 8.040 7.417 0.623 18032
1789 1 4 . 1 1 28 28 HIS N N 28 128.200 128.200 125.446 2.754 18032
1790 1 4 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.886 -0.146 18032
1791 1 4 . 1 1 28 28 HIS C C 28 178.200 178.200 175.962 2.238 18032
1792 1 4 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.489 -0.189 18032
1793 1 4 . 1 1 28 28 HIS CB C 28 32.600 32.600 30.792 1.808 18032
1794 1 4 . 1 1 28 28 HIS H H 28 10.680 10.680 8.987 1.693 18032
1795 1 4 . 1 1 29 29 ALA N N 29 130.100 130.100 131.452 -1.352 18032
1796 1 4 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.050 -0.100 18032
1797 1 4 . 1 1 29 29 ALA C C 29 175.700 175.700 178.011 -2.311 18032
1798 1 4 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.239 0.661 18032
1799 1 4 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.718 0.082 18032
1800 1 4 . 1 1 29 29 ALA H H 29 9.270 9.270 8.457 0.813 18032
1801 1 4 . 1 1 30 30 ILE N N 30 113.300 113.300 115.079 -1.779 18032
1802 1 4 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.460 -0.250 18032
1803 1 4 . 1 1 30 30 ILE C C 30 177.200 177.200 178.022 -0.822 18032
1804 1 4 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.382 -0.482 18032
1805 1 4 . 1 1 30 30 ILE CB C 30 39.100 39.100 39.057 0.042 18032
1806 1 4 . 1 1 30 30 ILE H H 30 8.540 8.540 7.573 0.967 18032
1807 1 4 . 1 1 31 31 ASP N N 31 120.600 120.600 119.096 1.504 18032
1808 1 4 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.425 -0.245 18032
1809 1 4 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.868 0.631 18032
1810 1 4 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.200 -1.200 18032
1811 1 4 . 1 1 31 31 ASP H H 31 8.480 8.480 8.593 -0.113 18032
1812 1 4 . 1 1 32 32 ASP N N 32 114.200 114.200 118.859 -4.659 18032
1813 1 4 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.628 0.432 18032
1814 1 4 . 1 1 32 32 ASP C C 32 177.500 177.500 178.118 -0.618 18032
1815 1 4 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.002 -0.002 18032
1816 1 4 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.955 0.245 18032
1817 1 4 . 1 1 32 32 ASP H H 32 8.450 8.450 8.053 0.397 18032
1818 1 4 . 1 1 33 33 LEU N N 33 114.000 114.000 118.373 -4.373 18032
1819 1 4 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.323 0.147 18032
1820 1 4 . 1 1 33 33 LEU C C 33 177.400 177.400 177.796 -0.396 18032
1821 1 4 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.457 -0.557 18032
1822 1 4 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.546 -1.346 18032
1823 1 4 . 1 1 33 33 LEU H H 33 7.230 7.230 7.819 -0.589 18032
1824 1 4 . 1 1 34 34 GLY N N 34 107.000 107.000 107.013 -0.013 18032
1825 1 4 . 1 1 34 34 GLY C C 34 174.500 174.500 174.396 0.104 18032
1826 1 4 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.087 1.813 18032
1827 1 4 . 1 1 34 34 GLY H H 34 7.330 7.330 7.807 -0.477 18032
1828 1 4 . 1 1 35 35 ILE N N 35 120.700 120.700 120.114 0.586 18032
1829 1 4 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.273 -0.163 18032
1830 1 4 . 1 1 35 35 ILE C C 35 175.300 175.300 174.838 0.462 18032
1831 1 4 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.176 1.824 18032
1832 1 4 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.402 -1.502 18032
1833 1 4 . 1 1 35 35 ILE H H 35 7.820 7.820 7.447 0.373 18032
1834 1 4 . 1 1 36 36 ASP N N 36 126.800 126.800 127.067 -0.267 18032
1835 1 4 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.636 0.204 18032
1836 1 4 . 1 1 36 36 ASP C C 36 177.100 177.100 177.458 -0.358 18032
1837 1 4 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.246 -1.646 18032
1838 1 4 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.935 -0.435 18032
1839 1 4 . 1 1 36 36 ASP H H 36 8.780 8.780 8.385 0.395 18032
1840 1 4 . 1 1 37 37 SER N N 37 114.000 114.000 120.023 -6.023 18032
1841 1 4 . 1 1 37 37 SER HA H 37 4.170 4.170 4.421 -0.251 18032
1842 1 4 . 1 1 37 37 SER C C 37 175.700 175.700 176.722 -1.022 18032
1843 1 4 . 1 1 37 37 SER CA C 37 60.700 60.700 61.220 -0.520 18032
1844 1 4 . 1 1 37 37 SER CB C 37 65.800 65.800 62.999 2.801 18032
1845 1 4 . 1 1 37 37 SER H H 37 8.750 8.750 8.674 0.076 18032
1846 1 4 . 1 1 38 38 LEU N N 38 123.200 123.200 121.096 2.104 18032
1847 1 4 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.076 0.144 18032
1848 1 4 . 1 1 38 38 LEU C C 38 180.200 180.200 178.795 1.405 18032
1849 1 4 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.657 0.143 18032
1850 1 4 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.471 -0.471 18032
1851 1 4 . 1 1 38 38 LEU H H 38 8.030 8.030 8.247 -0.217 18032
1852 1 4 . 1 1 39 39 ASP N N 39 121.500 121.500 119.483 2.017 18032
1853 1 4 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.666 -0.226 18032
1854 1 4 . 1 1 39 39 ASP C C 39 179.000 179.000 178.835 0.165 18032
1855 1 4 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.140 0.060 18032
1856 1 4 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.837 0.362 18032
1857 1 4 . 1 1 39 39 ASP H H 39 8.390 8.390 7.534 0.856 18032
1858 1 4 . 1 1 40 40 PHE N N 40 118.900 118.900 121.819 -2.919 18032
1859 1 4 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.388 -0.338 18032
1860 1 4 . 1 1 40 40 PHE C C 40 177.500 177.500 176.673 0.827 18032
1861 1 4 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.531 1.269 18032
1862 1 4 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.339 -0.939 18032
1863 1 4 . 1 1 40 40 PHE H H 40 8.640 8.640 8.218 0.422 18032
1864 1 4 . 1 1 41 41 LEU N N 41 118.800 118.800 119.522 -0.722 18032
1865 1 4 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.769 0.211 18032
1866 1 4 . 1 1 41 41 LEU C C 41 179.300 179.300 178.218 1.082 18032
1867 1 4 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.331 0.069 18032
1868 1 4 . 1 1 41 41 LEU CB C 41 41.000 41.000 40.702 0.298 18032
1869 1 4 . 1 1 41 41 LEU H H 41 7.660 7.660 7.761 -0.101 18032
1870 1 4 . 1 1 42 42 ASP N N 42 119.700 119.700 119.524 0.176 18032
1871 1 4 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.282 0.308 18032
1872 1 4 . 1 1 42 42 ASP C C 42 179.800 179.800 178.693 1.107 18032
1873 1 4 . 1 1 42 42 ASP CA C 42 57.600 57.600 58.072 -0.472 18032
1874 1 4 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.367 -0.067 18032
1875 1 4 . 1 1 42 42 ASP H H 42 7.320 7.320 7.665 -0.345 18032
1876 1 4 . 1 1 43 43 ILE N N 43 122.700 122.700 119.877 2.823 18032
1877 1 4 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.666 -0.146 18032
1878 1 4 . 1 1 43 43 ILE C C 43 177.100 177.100 177.668 -0.568 18032
1879 1 4 . 1 1 43 43 ILE CA C 43 65.200 65.200 65.107 0.093 18032
1880 1 4 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.790 0.110 18032
1881 1 4 . 1 1 43 43 ILE H H 43 8.090 8.090 7.434 0.656 18032
1882 1 4 . 1 1 44 44 ALA N N 44 122.600 122.600 122.763 -0.163 18032
1883 1 4 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.873 -0.013 18032
1884 1 4 . 1 1 44 44 ALA C C 44 178.500 178.500 179.426 -0.926 18032
1885 1 4 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.943 0.757 18032
1886 1 4 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.967 0.333 18032
1887 1 4 . 1 1 44 44 ALA H H 44 8.830 8.830 7.992 0.838 18032
1888 1 4 . 1 1 45 45 PHE N N 45 117.300 117.300 117.806 -0.506 18032
1889 1 4 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.648 -0.148 18032
1890 1 4 . 1 1 45 45 PHE C C 45 178.300 178.300 177.702 0.598 18032
1891 1 4 . 1 1 45 45 PHE CA C 45 60.600 60.600 59.046 1.554 18032
1892 1 4 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.133 0.567 18032
1893 1 4 . 1 1 45 45 PHE H H 45 8.090 8.090 7.978 0.112 18032
1894 1 4 . 1 1 46 46 ALA N N 46 121.600 121.600 123.627 -2.027 18032
1895 1 4 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.102 0.068 18032
1896 1 4 . 1 1 46 46 ALA C C 46 181.400 181.400 179.650 1.750 18032
1897 1 4 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.161 -0.161 18032
1898 1 4 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.049 1.151 18032
1899 1 4 . 1 1 46 46 ALA H H 46 7.780 7.780 7.715 0.065 18032
1900 1 4 . 1 1 47 47 ILE N N 47 122.900 122.900 119.094 3.806 18032
1901 1 4 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.710 0.070 18032
1902 1 4 . 1 1 47 47 ILE C C 47 177.000 177.000 177.750 -0.750 18032
1903 1 4 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.640 0.360 18032
1904 1 4 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.673 0.327 18032
1905 1 4 . 1 1 47 47 ILE H H 47 8.960 8.960 7.926 1.034 18032
1906 1 4 . 1 1 48 48 ASP N N 48 123.900 123.900 120.571 3.329 18032
1907 1 4 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.273 0.097 18032
1908 1 4 . 1 1 48 48 ASP C C 48 180.200 180.200 178.871 1.329 18032
1909 1 4 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.608 0.092 18032
1910 1 4 . 1 1 48 48 ASP CB C 48 40.300 40.300 39.873 0.427 18032
1911 1 4 . 1 1 48 48 ASP H H 48 8.950 8.950 8.269 0.681 18032
1912 1 4 . 1 1 49 49 LYS N N 49 117.500 117.500 118.591 -1.091 18032
1913 1 4 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.039 -0.019 18032
1914 1 4 . 1 1 49 49 LYS C C 49 178.800 178.800 178.943 -0.143 18032
1915 1 4 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.898 -0.298 18032
1916 1 4 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.416 0.184 18032
1917 1 4 . 1 1 49 49 LYS H H 49 7.590 7.590 7.645 -0.055 18032
1918 1 4 . 1 1 50 50 ALA N N 50 121.100 121.100 122.091 -0.991 18032
1919 1 4 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.124 -0.094 18032
1920 1 4 . 1 1 50 50 ALA C C 50 179.400 179.400 178.833 0.567 18032
1921 1 4 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.418 0.182 18032
1922 1 4 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.782 0.318 18032
1923 1 4 . 1 1 50 50 ALA H H 50 8.180 8.180 7.582 0.598 18032
1924 1 4 . 1 1 51 51 PHE N N 51 111.600 111.600 115.104 -3.504 18032
1925 1 4 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.429 0.111 18032
1926 1 4 . 1 1 51 51 PHE C C 51 176.200 176.200 175.517 0.683 18032
1927 1 4 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.290 0.110 18032
1928 1 4 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.712 0.788 18032
1929 1 4 . 1 1 51 51 PHE H H 51 8.620 8.620 8.081 0.539 18032
1930 1 4 . 1 1 52 52 GLY N N 52 112.100 112.100 107.885 4.215 18032
1931 1 4 . 1 1 52 52 GLY C C 52 174.900 174.900 174.060 0.840 18032
1932 1 4 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.752 1.748 18032
1933 1 4 . 1 1 52 52 GLY H H 52 8.140 8.140 7.766 0.374 18032
1934 1 4 . 1 1 53 53 ILE N N 53 111.000 111.000 113.334 -2.334 18032
1935 1 4 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.605 0.065 18032
1936 1 4 . 1 1 53 53 ILE C C 53 173.500 173.500 173.222 0.278 18032
1937 1 4 . 1 1 53 53 ILE CA C 53 58.600 58.600 59.276 -0.676 18032
1938 1 4 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.236 2.664 18032
1939 1 4 . 1 1 53 53 ILE H H 53 7.520 7.520 7.815 -0.295 18032
1940 1 4 . 1 1 54 54 LYS N N 54 119.600 119.600 119.367 0.233 18032
1941 1 4 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.588 0.022 18032
1942 1 4 . 1 1 54 54 LYS C C 54 175.900 175.900 175.180 0.720 18032
1943 1 4 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.438 -1.137 18032
1944 1 4 . 1 1 54 54 LYS CB C 54 33.000 33.000 34.958 -1.958 18032
1945 1 4 . 1 1 54 54 LYS H H 54 7.940 7.940 7.998 -0.058 18032
1946 1 4 . 1 1 55 55 LEU N N 55 130.800 130.800 123.915 6.885 18032
1947 1 4 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.444 -0.594 18032
1948 1 4 . 1 1 55 55 LEU CA C 55 53.300 53.300 51.337 1.963 18032
1949 1 4 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.937 0.063 18032
1950 1 4 . 1 1 55 55 LEU H H 55 10.700 10.700 8.138 2.562 18032
1951 1 4 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.207 0.393 18032
1952 1 4 . 1 1 56 56 PRO C C 56 174.600 174.600 176.130 -1.530 18032
1953 1 4 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.853 -0.353 18032
1954 1 4 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.022 -2.522 18032
1955 1 4 . 1 1 57 57 LEU N N 57 121.300 121.300 122.789 -1.489 18032
1956 1 4 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.834 -0.424 18032
1957 1 4 . 1 1 57 57 LEU C C 57 179.100 179.100 178.079 1.021 18032
1958 1 4 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.194 0.006 18032
1959 1 4 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.721 0.379 18032
1960 1 4 . 1 1 57 57 LEU H H 57 7.490 7.490 7.787 -0.297 18032
1961 1 4 . 1 1 58 58 GLU N N 58 119.200 119.200 119.291 -0.091 18032
1962 1 4 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.047 -0.067 18032
1963 1 4 . 1 1 58 58 GLU C C 58 178.500 178.500 178.651 -0.151 18032
1964 1 4 . 1 1 58 58 GLU CA C 58 59.900 59.900 60.184 -0.284 18032
1965 1 4 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.325 0.375 18032
1966 1 4 . 1 1 58 58 GLU H H 58 8.860 8.860 8.628 0.232 18032
1967 1 4 . 1 1 59 59 LYS N N 59 122.100 122.100 120.158 1.942 18032
1968 1 4 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.069 0.031 18032
1969 1 4 . 1 1 59 59 LYS C C 59 178.700 178.700 178.961 -0.261 18032
1970 1 4 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.268 -0.368 18032
1971 1 4 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.099 0.101 18032
1972 1 4 . 1 1 59 59 LYS H H 59 7.420 7.420 7.980 -0.560 18032
1973 1 4 . 1 1 60 60 TRP N N 60 120.000 120.000 118.840 1.160 18032
1974 1 4 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.469 -0.269 18032
1975 1 4 . 1 1 60 60 TRP C C 60 178.300 178.300 179.218 -0.918 18032
1976 1 4 . 1 1 60 60 TRP CA C 60 57.700 57.700 58.532 -0.832 18032
1977 1 4 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.379 0.221 18032
1978 1 4 . 1 1 60 60 TRP H H 60 8.140 8.140 8.199 -0.059 18032
1979 1 4 . 1 1 61 61 THR N N 61 113.200 113.200 116.227 -3.027 18032
1980 1 4 . 1 1 61 61 THR HA H 61 3.870 3.870 4.089 -0.219 18032
1981 1 4 . 1 1 61 61 THR C C 61 176.300 176.300 176.871 -0.571 18032
1982 1 4 . 1 1 61 61 THR CA C 61 67.100 67.100 67.414 -0.314 18032
1983 1 4 . 1 1 61 61 THR CB C 61 68.900 68.900 68.638 0.262 18032
1984 1 4 . 1 1 61 61 THR H H 61 8.390 8.390 8.468 -0.078 18032
1985 1 4 . 1 1 62 62 GLN N N 62 122.300 122.300 119.672 2.628 18032
1986 1 4 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.155 -0.115 18032
1987 1 4 . 1 1 62 62 GLN C C 62 177.900 177.900 178.600 -0.700 18032
1988 1 4 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.651 0.349 18032
1989 1 4 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.335 -0.235 18032
1990 1 4 . 1 1 62 62 GLN H H 62 7.810 7.810 7.922 -0.112 18032
1991 1 4 . 1 1 63 63 GLU N N 63 119.000 119.000 120.621 -1.621 18032
1992 1 4 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.157 -0.087 18032
1993 1 4 . 1 1 63 63 GLU C C 63 180.000 180.000 179.807 0.193 18032
1994 1 4 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.313 0.887 18032
1995 1 4 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.721 0.679 18032
1996 1 4 . 1 1 63 63 GLU H H 63 8.410 8.410 8.179 0.231 18032
1997 1 4 . 1 1 64 64 VAL N N 64 119.600 119.600 120.915 -1.315 18032
1998 1 4 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.876 0.244 18032
1999 1 4 . 1 1 64 64 VAL C C 64 180.600 180.600 178.392 2.208 18032
2000 1 4 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.407 -1.007 18032
2001 1 4 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.765 0.135 18032
2002 1 4 . 1 1 64 64 VAL H H 64 8.170 8.170 8.366 -0.196 18032
2003 1 4 . 1 1 65 65 ASN N N 65 121.700 121.700 119.518 2.182 18032
2004 1 4 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.515 -0.005 18032
2005 1 4 . 1 1 65 65 ASN C C 65 177.300 177.300 176.827 0.473 18032
2006 1 4 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.870 0.430 18032
2007 1 4 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.167 -0.067 18032
2008 1 4 . 1 1 65 65 ASN H H 65 8.550 8.550 8.058 0.492 18032
2009 1 4 . 1 1 66 66 ASP N N 66 118.000 118.000 116.799 1.201 18032
2010 1 4 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.849 -0.079 18032
2011 1 4 . 1 1 66 66 ASP C C 66 177.000 177.000 176.293 0.707 18032
2012 1 4 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.179 0.621 18032
2013 1 4 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.805 0.495 18032
2014 1 4 . 1 1 66 66 ASP H H 66 8.470 8.470 7.818 0.652 18032
2015 1 4 . 1 1 67 67 GLY N N 67 108.600 108.600 106.633 1.967 18032
2016 1 4 . 1 1 67 67 GLY C C 67 174.800 174.800 175.475 -0.675 18032
2017 1 4 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.359 -0.360 18032
2018 1 4 . 1 1 67 67 GLY H H 67 8.100 8.100 7.789 0.311 18032
2019 1 4 . 1 1 68 68 LYS N N 68 118.900 118.900 119.917 -1.017 18032
2020 1 4 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.186 0.124 18032
2021 1 4 . 1 1 68 68 LYS C C 68 175.100 175.100 176.648 -1.548 18032
2022 1 4 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.531 -1.131 18032
2023 1 4 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.242 0.258 18032
2024 1 4 . 1 1 68 68 LYS H H 68 8.400 8.400 8.217 0.183 18032
2025 1 4 . 1 1 69 69 ALA N N 69 120.400 120.400 119.787 0.613 18032
2026 1 4 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.919 -0.289 18032
2027 1 4 . 1 1 69 69 ALA C C 69 175.900 175.900 175.443 0.457 18032
2028 1 4 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.488 0.012 18032
2029 1 4 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.354 1.646 18032
2030 1 4 . 1 1 69 69 ALA H H 69 7.490 7.490 7.687 -0.197 18032
2031 1 4 . 1 1 70 70 THR N N 70 109.700 109.700 108.484 1.216 18032
2032 1 4 . 1 1 70 70 THR HA H 70 4.750 4.750 4.899 -0.149 18032
2033 1 4 . 1 1 70 70 THR C C 70 175.600 175.600 176.092 -0.492 18032
2034 1 4 . 1 1 70 70 THR CA C 70 59.600 59.600 60.144 -0.544 18032
2035 1 4 . 1 1 70 70 THR CB C 70 70.700 70.700 72.204 -1.504 18032
2036 1 4 . 1 1 70 70 THR H H 70 7.930 7.930 8.405 -0.474 18032
2037 1 4 . 1 1 71 71 THR N N 71 111.300 111.300 113.880 -2.580 18032
2038 1 4 . 1 1 71 71 THR HA H 71 4.110 4.110 4.015 0.095 18032
2039 1 4 . 1 1 71 71 THR C C 71 177.500 177.500 176.634 0.866 18032
2040 1 4 . 1 1 71 71 THR CA C 71 65.100 65.100 65.589 -0.489 18032
2041 1 4 . 1 1 71 71 THR CB C 71 68.900 68.900 68.519 0.381 18032
2042 1 4 . 1 1 71 71 THR H H 71 9.030 9.030 8.389 0.641 18032
2043 1 4 . 1 1 72 72 GLU N N 72 122.300 122.300 120.945 1.355 18032
2044 1 4 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.118 -0.258 18032
2045 1 4 . 1 1 72 72 GLU C C 72 177.500 177.500 179.009 -1.509 18032
2046 1 4 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.443 0.457 18032
2047 1 4 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.157 0.843 18032
2048 1 4 . 1 1 72 72 GLU H H 72 8.830 8.830 8.967 -0.137 18032
2049 1 4 . 1 1 73 73 GLN N N 73 116.900 116.900 119.502 -2.602 18032
2050 1 4 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.830 -0.200 18032
2051 1 4 . 1 1 73 73 GLN C C 73 174.000 174.000 177.421 -3.421 18032
2052 1 4 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.492 -0.492 18032
2053 1 4 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.301 0.299 18032
2054 1 4 . 1 1 73 73 GLN H H 73 7.280 7.280 8.321 -1.041 18032
2055 1 4 . 1 1 74 74 TYR N N 74 112.700 112.700 113.771 -1.071 18032
2056 1 4 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.179 -0.099 18032
2057 1 4 . 1 1 74 74 TYR C C 74 173.900 173.900 176.550 -2.650 18032
2058 1 4 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.784 -1.984 18032
2059 1 4 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.610 0.690 18032
2060 1 4 . 1 1 74 74 TYR H H 74 6.310 6.310 7.732 -1.422 18032
2061 1 4 . 1 1 75 75 PHE N N 75 108.000 108.000 116.671 -8.671 18032
2062 1 4 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.392 0.268 18032
2063 1 4 . 1 1 75 75 PHE C C 75 177.900 177.900 174.427 3.473 18032
2064 1 4 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.021 -1.621 18032
2065 1 4 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.670 1.030 18032
2066 1 4 . 1 1 75 75 PHE H H 75 7.760 7.760 8.040 -0.280 18032
2067 1 4 . 1 1 76 76 VAL N N 76 120.700 120.700 120.044 0.656 18032
2068 1 4 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.325 0.445 18032
2069 1 4 . 1 1 76 76 VAL C C 76 180.000 180.000 176.683 3.317 18032
2070 1 4 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.358 1.542 18032
2071 1 4 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.721 -1.521 18032
2072 1 4 . 1 1 76 76 VAL H H 76 7.010 7.010 7.423 -0.413 18032
2073 1 4 . 1 1 77 77 LEU N N 77 131.600 131.600 128.470 3.130 18032
2074 1 4 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.028 0.002 18032
2075 1 4 . 1 1 77 77 LEU C C 77 179.000 179.000 179.050 -0.050 18032
2076 1 4 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.734 0.366 18032
2077 1 4 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.090 -0.090 18032
2078 1 4 . 1 1 77 77 LEU H H 77 8.860 8.860 8.834 0.026 18032
2079 1 4 . 1 1 78 78 LYS N N 78 116.700 116.700 118.586 -1.886 18032
2080 1 4 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.029 0.181 18032
2081 1 4 . 1 1 78 78 LYS C C 78 178.000 178.000 178.737 -0.737 18032
2082 1 4 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.076 0.024 18032
2083 1 4 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.673 -0.573 18032
2084 1 4 . 1 1 78 78 LYS H H 78 9.540 9.540 8.293 1.247 18032
2085 1 4 . 1 1 79 79 ASN N N 79 121.500 121.500 119.948 1.552 18032
2086 1 4 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.446 0.204 18032
2087 1 4 . 1 1 79 79 ASN C C 79 176.200 176.200 177.500 -1.300 18032
2088 1 4 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.579 -0.979 18032
2089 1 4 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.882 -0.682 18032
2090 1 4 . 1 1 79 79 ASN H H 79 7.340 7.340 7.755 -0.415 18032
2091 1 4 . 1 1 80 80 LEU N N 80 124.300 124.300 121.930 2.370 18032
2092 1 4 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.017 0.013 18032
2093 1 4 . 1 1 80 80 LEU C C 80 178.700 178.700 178.191 0.509 18032
2094 1 4 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.282 0.518 18032
2095 1 4 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.684 -0.885 18032
2096 1 4 . 1 1 80 80 LEU H H 80 8.260 8.260 8.584 -0.324 18032
2097 1 4 . 1 1 81 81 ALA N N 81 118.100 118.100 120.256 -2.156 18032
2098 1 4 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.898 -0.028 18032
2099 1 4 . 1 1 81 81 ALA C C 81 177.600 177.600 179.077 -1.477 18032
2100 1 4 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.970 0.230 18032
2101 1 4 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.955 -0.655 18032
2102 1 4 . 1 1 81 81 ALA H H 81 8.580 8.580 7.801 0.779 18032
2103 1 4 . 1 1 82 82 ALA N N 82 119.800 119.800 121.447 -1.647 18032
2104 1 4 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.953 0.257 18032
2105 1 4 . 1 1 82 82 ALA C C 82 180.700 180.700 179.497 1.203 18032
2106 1 4 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.707 0.693 18032
2107 1 4 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.424 -0.524 18032
2108 1 4 . 1 1 82 82 ALA H H 82 7.230 7.230 7.617 -0.387 18032
2109 1 4 . 1 1 83 83 ARG N N 83 118.300 118.300 118.865 -0.565 18032
2110 1 4 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.134 0.206 18032
2111 1 4 . 1 1 83 83 ARG C C 83 180.500 180.500 178.940 1.560 18032
2112 1 4 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.196 0.304 18032
2113 1 4 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.945 1.955 18032
2114 1 4 . 1 1 83 83 ARG H H 83 8.510 8.510 7.739 0.771 18032
2115 1 4 . 1 1 84 84 ILE N N 84 121.300 121.300 120.363 0.937 18032
2116 1 4 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.575 -0.195 18032
2117 1 4 . 1 1 84 84 ILE C C 84 177.300 177.300 177.647 -0.347 18032
2118 1 4 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.713 0.486 18032
2119 1 4 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.351 0.349 18032
2120 1 4 . 1 1 84 84 ILE H H 84 8.340 8.340 8.297 0.043 18032
2121 1 4 . 1 1 85 85 ASP N N 85 120.200 120.200 119.209 0.991 18032
2122 1 4 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.256 0.154 18032
2123 1 4 . 1 1 85 85 ASP C C 85 180.200 180.200 178.261 1.939 18032
2124 1 4 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.522 0.478 18032
2125 1 4 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.839 -1.339 18032
2126 1 4 . 1 1 85 85 ASP H H 85 8.330 8.330 7.824 0.506 18032
2127 1 4 . 1 1 86 86 GLU N N 86 121.100 121.100 120.319 0.781 18032
2128 1 4 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.081 0.039 18032
2129 1 4 . 1 1 86 86 GLU C C 86 179.800 179.800 178.871 0.929 18032
2130 1 4 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.255 0.045 18032
2131 1 4 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.756 -0.256 18032
2132 1 4 . 1 1 86 86 GLU H H 86 8.060 8.060 7.769 0.291 18032
2133 1 4 . 1 1 87 87 LEU N N 87 122.700 122.700 119.163 3.537 18032
2134 1 4 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.067 0.133 18032
2135 1 4 . 1 1 87 87 LEU C C 87 180.500 180.500 179.194 1.306 18032
2136 1 4 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.393 0.807 18032
2137 1 4 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.905 0.195 18032
2138 1 4 . 1 1 87 87 LEU H H 87 8.090 8.090 7.867 0.223 18032
2139 1 4 . 1 1 88 88 VAL N N 88 122.800 122.800 119.861 2.939 18032
2140 1 4 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.685 -0.145 18032
2141 1 4 . 1 1 88 88 VAL C C 88 179.200 179.200 177.784 1.416 18032
2142 1 4 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.561 0.239 18032
2143 1 4 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.160 1.140 18032
2144 1 4 . 1 1 88 88 VAL H H 88 9.030 9.030 8.028 1.002 18032
2145 1 4 . 1 1 89 89 ALA N N 89 122.900 122.900 122.804 0.096 18032
2146 1 4 . 1 1 89 89 ALA HA H 89 4.220 4.220 3.921 0.299 18032
2147 1 4 . 1 1 89 89 ALA C C 89 180.000 180.000 178.923 1.077 18032
2148 1 4 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.320 -0.620 18032
2149 1 4 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.074 -0.074 18032
2150 1 4 . 1 1 89 89 ALA H H 89 8.170 8.170 7.867 0.303 18032
2151 1 4 . 1 1 90 90 ALA N N 90 120.100 120.100 119.812 0.288 18032
2152 1 4 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.082 0.188 18032
2153 1 4 . 1 1 90 90 ALA C C 90 179.200 179.200 179.087 0.113 18032
2154 1 4 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.642 -0.742 18032
2155 1 4 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.450 0.050 18032
2156 1 4 . 1 1 90 90 ALA H H 90 7.820 7.820 7.942 -0.122 18032
2157 1 4 . 1 1 91 91 LYS N N 91 118.900 118.900 118.724 0.176 18032
2158 1 4 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.165 0.025 18032
2159 1 4 . 1 1 91 91 LYS C C 91 178.400 178.400 178.321 0.079 18032
2160 1 4 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.739 0.761 18032
2161 1 4 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.603 -0.203 18032
2162 1 4 . 1 1 91 91 LYS H H 91 7.660 7.660 7.600 0.060 18032
2163 1 4 . 1 1 92 92 GLY N N 92 107.200 107.200 106.895 0.305 18032
2164 1 4 . 1 1 92 92 GLY C C 92 174.700 174.700 174.580 0.120 18032
2165 1 4 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.584 0.416 18032
2166 1 4 . 1 1 92 92 GLY H H 92 8.090 8.090 7.919 0.171 18032
2167 1 4 . 1 1 93 93 ALA N N 93 123.300 123.300 118.384 4.916 18032
2168 1 4 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.274 0.046 18032
2169 1 4 . 1 1 93 93 ALA C C 93 178.300 178.300 175.462 2.838 18032
2170 1 4 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.116 0.984 18032
2171 1 4 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.282 -0.282 18032
2172 1 4 . 1 1 93 93 ALA H H 93 7.900 7.900 7.880 0.020 18032
2173 1 4 . 1 1 94 94 LEU N N 94 119.800 119.800 120.829 -1.029 18032
2174 1 4 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.136 0.154 18032
2175 1 4 . 1 1 94 94 LEU C C 94 177.900 177.900 177.255 0.645 18032
2176 1 4 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.096 0.804 18032
2177 1 4 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.486 0.814 18032
2178 1 4 . 1 1 94 94 LEU H H 94 7.940 7.940 7.814 0.126 18032
2179 1 4 . 1 1 95 95 GLU N N 95 120.100 120.100 114.264 5.836 18032
2180 1 4 . 1 1 95 95 GLU HA H 95 4.190 4.190 3.864 0.326 18032
2181 1 4 . 1 1 95 95 GLU C C 95 176.500 176.500 175.463 1.037 18032
2182 1 4 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.425 -0.525 18032
2183 1 4 . 1 1 95 95 GLU CB C 95 30.200 30.200 28.703 1.497 18032
2184 1 4 . 1 1 95 95 GLU H H 95 8.130 8.130 8.848 -0.718 18032
2185 1 4 . 1 1 96 96 HIS N N 96 119.200 119.200 114.098 5.102 18032
2186 1 4 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.652 -0.352 18032
2187 1 4 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.641 1.659 18032
2188 1 4 . 1 1 96 96 HIS H H 96 8.160 8.160 7.595 0.565 18032
2189 1 5 . 1 1 2 2 THR HA H 2 4.580 4.580 4.443 0.137 18032
2190 1 5 . 1 1 2 2 THR C C 2 174.500 174.500 174.869 -0.369 18032
2191 1 5 . 1 1 2 2 THR CA C 2 61.700 61.700 61.921 -0.221 18032
2192 1 5 . 1 1 2 2 THR CB C 2 70.400 70.400 69.679 0.721 18032
2193 1 5 . 1 1 3 3 SER N N 3 120.600 120.600 115.911 4.689 18032
2194 1 5 . 1 1 3 3 SER HA H 3 4.770 4.770 4.740 0.030 18032
2195 1 5 . 1 1 3 3 SER C C 3 175.100 175.100 174.657 0.443 18032
2196 1 5 . 1 1 3 3 SER CA C 3 58.300 58.300 57.072 1.228 18032
2197 1 5 . 1 1 3 3 SER CB C 3 65.000 65.000 64.076 0.924 18032
2198 1 5 . 1 1 3 3 SER H H 3 9.090 9.090 8.143 0.947 18032
2199 1 5 . 1 1 4 4 THR N N 4 120.500 120.500 120.920 -0.420 18032
2200 1 5 . 1 1 4 4 THR HA H 4 4.230 4.230 4.443 -0.213 18032
2201 1 5 . 1 1 4 4 THR C C 4 176.200 176.200 175.939 0.261 18032
2202 1 5 . 1 1 4 4 THR CA C 4 67.700 67.700 66.485 1.215 18032
2203 1 5 . 1 1 4 4 THR CB C 4 67.500 67.500 69.153 -1.653 18032
2204 1 5 . 1 1 4 4 THR H H 4 8.890 8.890 8.915 -0.025 18032
2205 1 5 . 1 1 5 5 PHE N N 5 121.100 121.100 122.620 -1.520 18032
2206 1 5 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.245 -0.445 18032
2207 1 5 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.499 1.201 18032
2208 1 5 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.970 -0.270 18032
2209 1 5 . 1 1 5 5 PHE H H 5 9.110 9.110 7.927 1.183 18032
2210 1 5 . 1 1 6 6 ASP N N 6 119.800 119.800 119.116 0.684 18032
2211 1 5 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.168 -0.328 18032
2212 1 5 . 1 1 6 6 ASP C C 6 179.200 179.200 178.597 0.603 18032
2213 1 5 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.460 0.440 18032
2214 1 5 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.431 0.469 18032
2215 1 5 . 1 1 6 6 ASP H H 6 8.120 8.120 8.742 -0.622 18032
2216 1 5 . 1 1 7 7 ARG N N 7 119.200 119.200 119.938 -0.738 18032
2217 1 5 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.036 0.034 18032
2218 1 5 . 1 1 7 7 ARG C C 7 179.400 179.400 178.885 0.515 18032
2219 1 5 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.642 0.658 18032
2220 1 5 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.808 1.292 18032
2221 1 5 . 1 1 7 7 ARG H H 7 8.020 8.020 7.682 0.338 18032
2222 1 5 . 1 1 8 8 VAL N N 8 120.600 120.600 119.273 1.327 18032
2223 1 5 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.707 -0.197 18032
2224 1 5 . 1 1 8 8 VAL C C 8 176.800 176.800 177.735 -0.935 18032
2225 1 5 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.831 0.169 18032
2226 1 5 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.438 0.162 18032
2227 1 5 . 1 1 8 8 VAL H H 8 8.520 8.520 8.248 0.272 18032
2228 1 5 . 1 1 9 9 ALA N N 9 122.800 122.800 121.645 1.155 18032
2229 1 5 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.730 -0.060 18032
2230 1 5 . 1 1 9 9 ALA C C 9 179.000 179.000 179.535 -0.535 18032
2231 1 5 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.454 0.346 18032
2232 1 5 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.716 -0.516 18032
2233 1 5 . 1 1 9 9 ALA H H 9 8.920 8.920 8.187 0.733 18032
2234 1 5 . 1 1 10 10 THR N N 10 114.300 114.300 115.941 -1.641 18032
2235 1 5 . 1 1 10 10 THR HA H 10 3.800 3.800 3.987 -0.187 18032
2236 1 5 . 1 1 10 10 THR C C 10 175.500 175.500 176.550 -1.050 18032
2237 1 5 . 1 1 10 10 THR CA C 10 67.400 67.400 67.072 0.328 18032
2238 1 5 . 1 1 10 10 THR CB C 10 68.900 68.900 68.565 0.335 18032
2239 1 5 . 1 1 10 10 THR H H 10 7.790 7.790 7.461 0.329 18032
2240 1 5 . 1 1 11 11 ILE N N 11 122.100 122.100 121.973 0.127 18032
2241 1 5 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.593 0.287 18032
2242 1 5 . 1 1 11 11 ILE C C 11 179.700 179.700 178.435 1.265 18032
2243 1 5 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.689 -0.189 18032
2244 1 5 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.701 0.899 18032
2245 1 5 . 1 1 11 11 ILE H H 11 7.760 7.760 8.112 -0.352 18032
2246 1 5 . 1 1 12 12 ILE N N 12 123.100 123.100 119.201 3.899 18032
2247 1 5 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.597 -0.187 18032
2248 1 5 . 1 1 12 12 ILE C C 12 176.800 176.800 177.612 -0.812 18032
2249 1 5 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.002 1.998 18032
2250 1 5 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.358 0.542 18032
2251 1 5 . 1 1 12 12 ILE H H 12 8.750 8.750 8.048 0.702 18032
2252 1 5 . 1 1 13 13 ALA N N 13 122.600 122.600 123.090 -0.490 18032
2253 1 5 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.197 0.083 18032
2254 1 5 . 1 1 13 13 ALA C C 13 180.700 180.700 180.350 0.350 18032
2255 1 5 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.019 0.681 18032
2256 1 5 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.315 0.285 18032
2257 1 5 . 1 1 13 13 ALA H H 13 8.430 8.430 7.665 0.765 18032
2258 1 5 . 1 1 14 14 GLU N N 14 114.500 114.500 116.905 -2.405 18032
2259 1 5 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.180 0.010 18032
2260 1 5 . 1 1 14 14 GLU C C 14 179.100 179.100 178.982 0.118 18032
2261 1 5 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.404 -0.003 18032
2262 1 5 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.270 0.730 18032
2263 1 5 . 1 1 14 14 GLU H H 14 8.290 8.290 8.099 0.191 18032
2264 1 5 . 1 1 15 15 THR N N 15 115.500 115.500 114.201 1.299 18032
2265 1 5 . 1 1 15 15 THR HA H 15 4.080 4.080 4.142 -0.062 18032
2266 1 5 . 1 1 15 15 THR C C 15 176.200 176.200 175.849 0.351 18032
2267 1 5 . 1 1 15 15 THR CA C 15 66.500 66.500 65.461 1.039 18032
2268 1 5 . 1 1 15 15 THR CB C 15 69.400 69.400 69.288 0.112 18032
2269 1 5 . 1 1 15 15 THR H H 15 8.390 8.390 8.073 0.317 18032
2270 1 5 . 1 1 16 16 CYS N N 16 116.000 116.000 117.443 -1.443 18032
2271 1 5 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.751 -0.181 18032
2272 1 5 . 1 1 16 16 CYS C C 16 173.700 173.700 173.902 -0.202 18032
2273 1 5 . 1 1 16 16 CYS CA C 16 59.200 59.200 57.778 1.422 18032
2274 1 5 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.166 1.434 18032
2275 1 5 . 1 1 16 16 CYS H H 16 8.130 8.130 7.884 0.246 18032
2276 1 5 . 1 1 17 17 ASP N N 17 119.900 119.900 119.587 0.313 18032
2277 1 5 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.412 -0.002 18032
2278 1 5 . 1 1 17 17 ASP C C 17 174.700 174.700 175.045 -0.345 18032
2279 1 5 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.055 0.145 18032
2280 1 5 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.835 -0.935 18032
2281 1 5 . 1 1 17 17 ASP H H 17 7.740 7.740 7.908 -0.168 18032
2282 1 5 . 1 1 18 18 ILE N N 18 119.100 119.100 119.140 -0.040 18032
2283 1 5 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.487 0.103 18032
2284 1 5 . 1 1 18 18 ILE C C 18 179.400 179.400 174.218 5.182 18032
2285 1 5 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.199 0.601 18032
2286 1 5 . 1 1 18 18 ILE CB C 18 42.000 42.000 37.742 4.258 18032
2287 1 5 . 1 1 18 18 ILE H H 18 7.410 7.410 7.586 -0.176 18032
2288 1 5 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.374 -0.004 18032
2289 1 5 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.297 -0.197 18032
2290 1 5 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.182 -0.082 18032
2291 1 5 . 1 1 20 20 ARG N N 20 129.100 129.100 125.703 3.397 18032
2292 1 5 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.929 -0.069 18032
2293 1 5 . 1 1 20 20 ARG C C 20 178.500 178.500 178.382 0.118 18032
2294 1 5 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.429 -0.629 18032
2295 1 5 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.946 -0.446 18032
2296 1 5 . 1 1 20 20 ARG H H 20 9.150 9.150 8.793 0.357 18032
2297 1 5 . 1 1 21 21 GLU N N 21 117.300 117.300 115.370 1.930 18032
2298 1 5 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.139 0.161 18032
2299 1 5 . 1 1 21 21 GLU C C 21 177.200 177.200 177.294 -0.094 18032
2300 1 5 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.767 -0.167 18032
2301 1 5 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.885 -0.385 18032
2302 1 5 . 1 1 21 21 GLU H H 21 9.820 9.820 8.569 1.251 18032
2303 1 5 . 1 1 22 22 THR N N 22 110.200 110.200 108.729 1.471 18032
2304 1 5 . 1 1 22 22 THR HA H 22 4.340 4.340 4.311 0.029 18032
2305 1 5 . 1 1 22 22 THR C C 22 173.000 173.000 175.239 -2.239 18032
2306 1 5 . 1 1 22 22 THR CA C 22 62.300 62.300 62.138 0.162 18032
2307 1 5 . 1 1 22 22 THR CB C 22 70.000 70.000 69.404 0.596 18032
2308 1 5 . 1 1 22 22 THR H H 22 7.780 7.780 7.505 0.275 18032
2309 1 5 . 1 1 23 23 ILE N N 23 122.600 122.600 125.531 -2.931 18032
2310 1 5 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.103 -0.103 18032
2311 1 5 . 1 1 23 23 ILE C C 23 174.700 174.700 175.783 -1.083 18032
2312 1 5 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.663 0.937 18032
2313 1 5 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.271 1.229 18032
2314 1 5 . 1 1 23 23 ILE H H 23 7.590 7.590 7.254 0.336 18032
2315 1 5 . 1 1 24 24 THR N N 24 118.600 118.600 120.905 -2.305 18032
2316 1 5 . 1 1 24 24 THR HA H 24 5.290 5.290 4.982 0.307 18032
2317 1 5 . 1 1 24 24 THR CA C 24 59.000 59.000 59.111 -0.111 18032
2318 1 5 . 1 1 24 24 THR CB C 24 69.800 69.800 69.224 0.577 18032
2319 1 5 . 1 1 24 24 THR H H 24 8.580 8.580 7.855 0.725 18032
2320 1 5 . 1 1 25 25 PRO HA H 25 3.770 3.770 4.057 -0.287 18032
2321 1 5 . 1 1 25 25 PRO C C 25 176.200 176.200 177.685 -1.485 18032
2322 1 5 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.952 -0.052 18032
2323 1 5 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.569 0.231 18032
2324 1 5 . 1 1 26 26 GLU N N 26 110.900 110.900 114.611 -3.711 18032
2325 1 5 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.389 -0.219 18032
2326 1 5 . 1 1 26 26 GLU C C 26 176.900 176.900 176.064 0.836 18032
2327 1 5 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.654 0.646 18032
2328 1 5 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.890 0.610 18032
2329 1 5 . 1 1 26 26 GLU H H 26 7.380 7.380 8.653 -1.273 18032
2330 1 5 . 1 1 27 27 SER N N 27 118.100 118.100 116.143 1.957 18032
2331 1 5 . 1 1 27 27 SER HA H 27 4.300 4.300 4.434 -0.134 18032
2332 1 5 . 1 1 27 27 SER C C 27 172.100 172.100 173.626 -1.526 18032
2333 1 5 . 1 1 27 27 SER CA C 27 61.000 61.000 58.261 2.739 18032
2334 1 5 . 1 1 27 27 SER CB C 27 64.200 64.200 63.665 0.535 18032
2335 1 5 . 1 1 27 27 SER H H 27 8.040 8.040 7.459 0.581 18032
2336 1 5 . 1 1 28 28 HIS N N 28 128.200 128.200 128.160 0.040 18032
2337 1 5 . 1 1 28 28 HIS HA H 28 4.740 4.740 5.066 -0.326 18032
2338 1 5 . 1 1 28 28 HIS C C 28 178.200 178.200 176.012 2.188 18032
2339 1 5 . 1 1 28 28 HIS CA C 28 56.300 56.300 55.925 0.375 18032
2340 1 5 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.797 0.803 18032
2341 1 5 . 1 1 28 28 HIS H H 28 10.680 10.680 8.984 1.696 18032
2342 1 5 . 1 1 29 29 ALA N N 29 130.100 130.100 131.487 -1.387 18032
2343 1 5 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.150 -0.200 18032
2344 1 5 . 1 1 29 29 ALA C C 29 175.700 175.700 178.701 -3.001 18032
2345 1 5 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.755 0.145 18032
2346 1 5 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.307 -0.507 18032
2347 1 5 . 1 1 29 29 ALA H H 29 9.270 9.270 8.808 0.462 18032
2348 1 5 . 1 1 30 30 ILE N N 30 113.300 113.300 116.886 -3.586 18032
2349 1 5 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.224 -0.014 18032
2350 1 5 . 1 1 30 30 ILE C C 30 177.200 177.200 177.949 -0.749 18032
2351 1 5 . 1 1 30 30 ILE CA C 30 62.900 62.900 64.242 -1.342 18032
2352 1 5 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.396 0.704 18032
2353 1 5 . 1 1 30 30 ILE H H 30 8.540 8.540 7.816 0.724 18032
2354 1 5 . 1 1 31 31 ASP N N 31 120.600 120.600 119.754 0.846 18032
2355 1 5 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.401 -0.221 18032
2356 1 5 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.385 0.115 18032
2357 1 5 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.099 -1.099 18032
2358 1 5 . 1 1 31 31 ASP H H 31 8.480 8.480 8.325 0.155 18032
2359 1 5 . 1 1 32 32 ASP N N 32 114.200 114.200 118.928 -4.728 18032
2360 1 5 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.648 0.412 18032
2361 1 5 . 1 1 32 32 ASP C C 32 177.500 177.500 178.354 -0.854 18032
2362 1 5 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.097 -0.097 18032
2363 1 5 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.891 0.309 18032
2364 1 5 . 1 1 32 32 ASP H H 32 8.450 8.450 8.099 0.351 18032
2365 1 5 . 1 1 33 33 LEU N N 33 114.000 114.000 119.155 -5.155 18032
2366 1 5 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.325 0.145 18032
2367 1 5 . 1 1 33 33 LEU C C 33 177.400 177.400 177.959 -0.559 18032
2368 1 5 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.843 -0.943 18032
2369 1 5 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.668 -1.468 18032
2370 1 5 . 1 1 33 33 LEU H H 33 7.230 7.230 7.922 -0.692 18032
2371 1 5 . 1 1 34 34 GLY N N 34 107.000 107.000 107.401 -0.401 18032
2372 1 5 . 1 1 34 34 GLY C C 34 174.500 174.500 174.157 0.343 18032
2373 1 5 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.313 1.587 18032
2374 1 5 . 1 1 34 34 GLY H H 34 7.330 7.330 7.875 -0.545 18032
2375 1 5 . 1 1 35 35 ILE N N 35 120.700 120.700 120.641 0.059 18032
2376 1 5 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.262 -0.152 18032
2377 1 5 . 1 1 35 35 ILE C C 35 175.300 175.300 174.642 0.658 18032
2378 1 5 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.210 1.790 18032
2379 1 5 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.700 -1.800 18032
2380 1 5 . 1 1 35 35 ILE H H 35 7.820 7.820 7.962 -0.142 18032
2381 1 5 . 1 1 36 36 ASP N N 36 126.800 126.800 127.851 -1.051 18032
2382 1 5 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.678 0.162 18032
2383 1 5 . 1 1 36 36 ASP C C 36 177.100 177.100 177.336 -0.236 18032
2384 1 5 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.078 -0.478 18032
2385 1 5 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.399 -0.899 18032
2386 1 5 . 1 1 36 36 ASP H H 36 8.780 8.780 8.228 0.552 18032
2387 1 5 . 1 1 37 37 SER N N 37 114.000 114.000 117.925 -3.925 18032
2388 1 5 . 1 1 37 37 SER HA H 37 4.170 4.170 4.397 -0.227 18032
2389 1 5 . 1 1 37 37 SER C C 37 175.700 175.700 176.669 -0.969 18032
2390 1 5 . 1 1 37 37 SER CA C 37 60.700 60.700 61.516 -0.816 18032
2391 1 5 . 1 1 37 37 SER CB C 37 65.800 65.800 62.977 2.822 18032
2392 1 5 . 1 1 37 37 SER H H 37 8.750 8.750 8.517 0.233 18032
2393 1 5 . 1 1 38 38 LEU N N 38 123.200 123.200 119.546 3.654 18032
2394 1 5 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.036 0.184 18032
2395 1 5 . 1 1 38 38 LEU C C 38 180.200 180.200 178.794 1.406 18032
2396 1 5 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.575 0.225 18032
2397 1 5 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.714 -0.714 18032
2398 1 5 . 1 1 38 38 LEU H H 38 8.030 8.030 8.084 -0.054 18032
2399 1 5 . 1 1 39 39 ASP N N 39 121.500 121.500 119.448 2.052 18032
2400 1 5 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.495 -0.055 18032
2401 1 5 . 1 1 39 39 ASP C C 39 179.000 179.000 178.497 0.503 18032
2402 1 5 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.548 -0.348 18032
2403 1 5 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.786 0.414 18032
2404 1 5 . 1 1 39 39 ASP H H 39 8.390 8.390 7.539 0.851 18032
2405 1 5 . 1 1 40 40 PHE N N 40 118.900 118.900 120.654 -1.754 18032
2406 1 5 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.371 -0.321 18032
2407 1 5 . 1 1 40 40 PHE C C 40 177.500 177.500 176.833 0.667 18032
2408 1 5 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.405 1.395 18032
2409 1 5 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.513 -1.113 18032
2410 1 5 . 1 1 40 40 PHE H H 40 8.640 8.640 8.218 0.422 18032
2411 1 5 . 1 1 41 41 LEU N N 41 118.800 118.800 120.237 -1.437 18032
2412 1 5 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.684 0.296 18032
2413 1 5 . 1 1 41 41 LEU C C 41 179.300 179.300 178.523 0.777 18032
2414 1 5 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.461 -0.061 18032
2415 1 5 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.204 -0.204 18032
2416 1 5 . 1 1 41 41 LEU H H 41 7.660 7.660 8.168 -0.508 18032
2417 1 5 . 1 1 42 42 ASP N N 42 119.700 119.700 118.726 0.974 18032
2418 1 5 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.755 -0.165 18032
2419 1 5 . 1 1 42 42 ASP C C 42 179.800 179.800 178.671 1.129 18032
2420 1 5 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.256 0.344 18032
2421 1 5 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.872 -0.572 18032
2422 1 5 . 1 1 42 42 ASP H H 42 7.320 7.320 7.879 -0.559 18032
2423 1 5 . 1 1 43 43 ILE N N 43 122.700 122.700 119.553 3.147 18032
2424 1 5 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.619 -0.099 18032
2425 1 5 . 1 1 43 43 ILE C C 43 177.100 177.100 177.453 -0.353 18032
2426 1 5 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.592 0.608 18032
2427 1 5 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.303 0.597 18032
2428 1 5 . 1 1 43 43 ILE H H 43 8.090 8.090 7.212 0.878 18032
2429 1 5 . 1 1 44 44 ALA N N 44 122.600 122.600 122.800 -0.200 18032
2430 1 5 . 1 1 44 44 ALA HA H 44 3.860 3.860 4.073 -0.213 18032
2431 1 5 . 1 1 44 44 ALA C C 44 178.500 178.500 179.639 -1.139 18032
2432 1 5 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.824 0.876 18032
2433 1 5 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.892 0.408 18032
2434 1 5 . 1 1 44 44 ALA H H 44 8.830 8.830 7.950 0.880 18032
2435 1 5 . 1 1 45 45 PHE N N 45 117.300 117.300 118.422 -1.122 18032
2436 1 5 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.166 0.334 18032
2437 1 5 . 1 1 45 45 PHE C C 45 178.300 178.300 177.652 0.648 18032
2438 1 5 . 1 1 45 45 PHE CA C 45 60.600 60.600 60.991 -0.391 18032
2439 1 5 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.396 0.304 18032
2440 1 5 . 1 1 45 45 PHE H H 45 8.090 8.090 7.698 0.392 18032
2441 1 5 . 1 1 46 46 ALA N N 46 121.600 121.600 123.511 -1.911 18032
2442 1 5 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.115 0.055 18032
2443 1 5 . 1 1 46 46 ALA C C 46 181.400 181.400 179.597 1.803 18032
2444 1 5 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.194 -0.194 18032
2445 1 5 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.150 1.050 18032
2446 1 5 . 1 1 46 46 ALA H H 46 7.780 7.780 7.832 -0.052 18032
2447 1 5 . 1 1 47 47 ILE N N 47 122.900 122.900 118.336 4.564 18032
2448 1 5 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.773 0.007 18032
2449 1 5 . 1 1 47 47 ILE C C 47 177.000 177.000 177.465 -0.465 18032
2450 1 5 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.597 0.402 18032
2451 1 5 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.519 0.481 18032
2452 1 5 . 1 1 47 47 ILE H H 47 8.960 8.960 8.253 0.707 18032
2453 1 5 . 1 1 48 48 ASP N N 48 123.900 123.900 121.613 2.287 18032
2454 1 5 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.523 -0.153 18032
2455 1 5 . 1 1 48 48 ASP C C 48 180.200 180.200 178.543 1.657 18032
2456 1 5 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.712 -0.012 18032
2457 1 5 . 1 1 48 48 ASP CB C 48 40.300 40.300 41.016 -0.716 18032
2458 1 5 . 1 1 48 48 ASP H H 48 8.950 8.950 8.053 0.897 18032
2459 1 5 . 1 1 49 49 LYS N N 49 117.500 117.500 118.299 -0.799 18032
2460 1 5 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.137 -0.117 18032
2461 1 5 . 1 1 49 49 LYS C C 49 178.800 178.800 178.801 -0.001 18032
2462 1 5 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.436 0.164 18032
2463 1 5 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.462 0.138 18032
2464 1 5 . 1 1 49 49 LYS H H 49 7.590 7.590 7.655 -0.065 18032
2465 1 5 . 1 1 50 50 ALA N N 50 121.100 121.100 122.350 -1.250 18032
2466 1 5 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.123 -0.093 18032
2467 1 5 . 1 1 50 50 ALA C C 50 179.400 179.400 179.005 0.395 18032
2468 1 5 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.550 0.050 18032
2469 1 5 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.748 0.352 18032
2470 1 5 . 1 1 50 50 ALA H H 50 8.180 8.180 7.602 0.578 18032
2471 1 5 . 1 1 51 51 PHE N N 51 111.600 111.600 114.774 -3.174 18032
2472 1 5 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.349 0.191 18032
2473 1 5 . 1 1 51 51 PHE C C 51 176.200 176.200 175.960 0.240 18032
2474 1 5 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.977 -0.577 18032
2475 1 5 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.509 0.991 18032
2476 1 5 . 1 1 51 51 PHE H H 51 8.620 8.620 7.965 0.655 18032
2477 1 5 . 1 1 52 52 GLY N N 52 112.100 112.100 107.188 4.912 18032
2478 1 5 . 1 1 52 52 GLY C C 52 174.900 174.900 174.178 0.722 18032
2479 1 5 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.635 1.865 18032
2480 1 5 . 1 1 52 52 GLY H H 52 8.140 8.140 7.848 0.292 18032
2481 1 5 . 1 1 53 53 ILE N N 53 111.000 111.000 113.239 -2.239 18032
2482 1 5 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.561 0.109 18032
2483 1 5 . 1 1 53 53 ILE C C 53 173.500 173.500 173.663 -0.163 18032
2484 1 5 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.531 0.069 18032
2485 1 5 . 1 1 53 53 ILE CB C 53 42.900 42.900 41.090 1.810 18032
2486 1 5 . 1 1 53 53 ILE H H 53 7.520 7.520 7.389 0.131 18032
2487 1 5 . 1 1 54 54 LYS N N 54 119.600 119.600 122.205 -2.605 18032
2488 1 5 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.553 0.057 18032
2489 1 5 . 1 1 54 54 LYS C C 54 175.900 175.900 175.780 0.120 18032
2490 1 5 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.929 -1.629 18032
2491 1 5 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.911 -0.911 18032
2492 1 5 . 1 1 54 54 LYS H H 54 7.940 7.940 8.324 -0.384 18032
2493 1 5 . 1 1 55 55 LEU N N 55 130.800 130.800 125.992 4.808 18032
2494 1 5 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.313 -0.463 18032
2495 1 5 . 1 1 55 55 LEU CA C 55 53.300 53.300 51.942 1.358 18032
2496 1 5 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.529 0.471 18032
2497 1 5 . 1 1 55 55 LEU H H 55 10.700 10.700 8.464 2.236 18032
2498 1 5 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.165 0.435 18032
2499 1 5 . 1 1 56 56 PRO C C 56 174.600 174.600 175.884 -1.284 18032
2500 1 5 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.133 -0.633 18032
2501 1 5 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.525 -2.025 18032
2502 1 5 . 1 1 57 57 LEU N N 57 121.300 121.300 121.491 -0.191 18032
2503 1 5 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.628 -0.218 18032
2504 1 5 . 1 1 57 57 LEU C C 57 179.100 179.100 177.988 1.112 18032
2505 1 5 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.693 0.507 18032
2506 1 5 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.870 0.230 18032
2507 1 5 . 1 1 57 57 LEU H H 57 7.490 7.490 7.566 -0.076 18032
2508 1 5 . 1 1 58 58 GLU N N 58 119.200 119.200 118.974 0.226 18032
2509 1 5 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.917 0.063 18032
2510 1 5 . 1 1 58 58 GLU C C 58 178.500 178.500 178.841 -0.341 18032
2511 1 5 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.606 0.294 18032
2512 1 5 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.866 -0.166 18032
2513 1 5 . 1 1 58 58 GLU H H 58 8.860 8.860 8.557 0.303 18032
2514 1 5 . 1 1 59 59 LYS N N 59 122.100 122.100 120.410 1.690 18032
2515 1 5 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.065 0.035 18032
2516 1 5 . 1 1 59 59 LYS C C 59 178.700 178.700 178.858 -0.158 18032
2517 1 5 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.141 -0.240 18032
2518 1 5 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.116 0.084 18032
2519 1 5 . 1 1 59 59 LYS H H 59 7.420 7.420 7.736 -0.316 18032
2520 1 5 . 1 1 60 60 TRP N N 60 120.000 120.000 118.976 1.024 18032
2521 1 5 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.227 -0.027 18032
2522 1 5 . 1 1 60 60 TRP C C 60 178.300 178.300 179.306 -1.006 18032
2523 1 5 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.944 -0.243 18032
2524 1 5 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.138 0.462 18032
2525 1 5 . 1 1 60 60 TRP H H 60 8.140 8.140 8.324 -0.184 18032
2526 1 5 . 1 1 61 61 THR N N 61 113.200 113.200 114.979 -1.779 18032
2527 1 5 . 1 1 61 61 THR HA H 61 3.870 3.870 4.165 -0.295 18032
2528 1 5 . 1 1 61 61 THR C C 61 176.300 176.300 176.848 -0.548 18032
2529 1 5 . 1 1 61 61 THR CA C 61 67.100 67.100 66.299 0.801 18032
2530 1 5 . 1 1 61 61 THR CB C 61 68.900 68.900 68.599 0.301 18032
2531 1 5 . 1 1 61 61 THR H H 61 8.390 8.390 8.076 0.314 18032
2532 1 5 . 1 1 62 62 GLN N N 62 122.300 122.300 122.394 -0.094 18032
2533 1 5 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.057 -0.017 18032
2534 1 5 . 1 1 62 62 GLN C C 62 177.900 177.900 177.773 0.127 18032
2535 1 5 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.263 -0.263 18032
2536 1 5 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.479 -0.379 18032
2537 1 5 . 1 1 62 62 GLN H H 62 7.810 7.810 7.871 -0.061 18032
2538 1 5 . 1 1 63 63 GLU N N 63 119.000 119.000 120.011 -1.011 18032
2539 1 5 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.073 -0.003 18032
2540 1 5 . 1 1 63 63 GLU C C 63 180.000 180.000 179.067 0.933 18032
2541 1 5 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.433 0.767 18032
2542 1 5 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.814 0.587 18032
2543 1 5 . 1 1 63 63 GLU H H 63 8.410 8.410 8.039 0.371 18032
2544 1 5 . 1 1 64 64 VAL N N 64 119.600 119.600 119.661 -0.061 18032
2545 1 5 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.158 -0.038 18032
2546 1 5 . 1 1 64 64 VAL C C 64 180.600 180.600 178.730 1.870 18032
2547 1 5 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.476 -1.076 18032
2548 1 5 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.840 0.060 18032
2549 1 5 . 1 1 64 64 VAL H H 64 8.170 8.170 8.059 0.111 18032
2550 1 5 . 1 1 65 65 ASN N N 65 121.700 121.700 119.127 2.573 18032
2551 1 5 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.550 -0.040 18032
2552 1 5 . 1 1 65 65 ASN C C 65 177.300 177.300 176.561 0.739 18032
2553 1 5 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.666 0.634 18032
2554 1 5 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.121 -0.021 18032
2555 1 5 . 1 1 65 65 ASN H H 65 8.550 8.550 8.256 0.294 18032
2556 1 5 . 1 1 66 66 ASP N N 66 118.000 118.000 116.395 1.605 18032
2557 1 5 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.822 -0.052 18032
2558 1 5 . 1 1 66 66 ASP C C 66 177.000 177.000 176.724 0.276 18032
2559 1 5 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.926 0.874 18032
2560 1 5 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.526 0.774 18032
2561 1 5 . 1 1 66 66 ASP H H 66 8.470 8.470 7.890 0.580 18032
2562 1 5 . 1 1 67 67 GLY N N 67 108.600 108.600 107.922 0.678 18032
2563 1 5 . 1 1 67 67 GLY C C 67 174.800 174.800 175.865 -1.065 18032
2564 1 5 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.393 -0.393 18032
2565 1 5 . 1 1 67 67 GLY H H 67 8.100 8.100 7.624 0.476 18032
2566 1 5 . 1 1 68 68 LYS N N 68 118.900 118.900 119.467 -0.567 18032
2567 1 5 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.141 0.169 18032
2568 1 5 . 1 1 68 68 LYS C C 68 175.100 175.100 176.980 -1.880 18032
2569 1 5 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.341 -0.941 18032
2570 1 5 . 1 1 68 68 LYS CB C 68 33.500 33.500 32.838 0.662 18032
2571 1 5 . 1 1 68 68 LYS H H 68 8.400 8.400 8.201 0.199 18032
2572 1 5 . 1 1 69 69 ALA N N 69 120.400 120.400 120.891 -0.491 18032
2573 1 5 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.723 -0.093 18032
2574 1 5 . 1 1 69 69 ALA C C 69 175.900 175.900 175.807 0.093 18032
2575 1 5 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.326 -0.826 18032
2576 1 5 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.504 2.496 18032
2577 1 5 . 1 1 69 69 ALA H H 69 7.490 7.490 7.582 -0.092 18032
2578 1 5 . 1 1 70 70 THR N N 70 109.700 109.700 115.201 -5.501 18032
2579 1 5 . 1 1 70 70 THR HA H 70 4.750 4.750 4.624 0.126 18032
2580 1 5 . 1 1 70 70 THR C C 70 175.600 175.600 176.268 -0.668 18032
2581 1 5 . 1 1 70 70 THR CA C 70 59.600 59.600 61.964 -2.364 18032
2582 1 5 . 1 1 70 70 THR CB C 70 70.700 70.700 70.919 -0.219 18032
2583 1 5 . 1 1 70 70 THR H H 70 7.930 7.930 8.218 -0.288 18032
2584 1 5 . 1 1 71 71 THR N N 71 111.300 111.300 115.974 -4.674 18032
2585 1 5 . 1 1 71 71 THR HA H 71 4.110 4.110 4.190 -0.080 18032
2586 1 5 . 1 1 71 71 THR C C 71 177.500 177.500 176.647 0.853 18032
2587 1 5 . 1 1 71 71 THR CA C 71 65.100 65.100 66.280 -1.180 18032
2588 1 5 . 1 1 71 71 THR CB C 71 68.900 68.900 68.778 0.122 18032
2589 1 5 . 1 1 71 71 THR H H 71 9.030 9.030 8.591 0.439 18032
2590 1 5 . 1 1 72 72 GLU N N 72 122.300 122.300 120.814 1.486 18032
2591 1 5 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.168 -0.308 18032
2592 1 5 . 1 1 72 72 GLU C C 72 177.500 177.500 179.305 -1.805 18032
2593 1 5 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.958 -0.058 18032
2594 1 5 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.144 -0.144 18032
2595 1 5 . 1 1 72 72 GLU H H 72 8.830 8.830 8.862 -0.032 18032
2596 1 5 . 1 1 73 73 GLN N N 73 116.900 116.900 116.132 0.768 18032
2597 1 5 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.844 -0.214 18032
2598 1 5 . 1 1 73 73 GLN C C 73 174.000 174.000 177.421 -3.421 18032
2599 1 5 . 1 1 73 73 GLN CA C 73 58.000 58.000 57.995 0.005 18032
2600 1 5 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.481 0.119 18032
2601 1 5 . 1 1 73 73 GLN H H 73 7.280 7.280 7.866 -0.586 18032
2602 1 5 . 1 1 74 74 TYR N N 74 112.700 112.700 113.534 -0.834 18032
2603 1 5 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.197 -0.117 18032
2604 1 5 . 1 1 74 74 TYR C C 74 173.900 173.900 175.906 -2.006 18032
2605 1 5 . 1 1 74 74 TYR CA C 74 56.800 56.800 57.949 -1.149 18032
2606 1 5 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.585 0.715 18032
2607 1 5 . 1 1 74 74 TYR H H 74 6.310 6.310 7.570 -1.260 18032
2608 1 5 . 1 1 75 75 PHE N N 75 108.000 108.000 116.776 -8.776 18032
2609 1 5 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.445 0.215 18032
2610 1 5 . 1 1 75 75 PHE C C 75 177.900 177.900 174.120 3.780 18032
2611 1 5 . 1 1 75 75 PHE CA C 75 57.400 57.400 58.702 -1.302 18032
2612 1 5 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.706 -1.006 18032
2613 1 5 . 1 1 75 75 PHE H H 75 7.760 7.760 7.944 -0.184 18032
2614 1 5 . 1 1 76 76 VAL N N 76 120.700 120.700 121.474 -0.774 18032
2615 1 5 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.284 0.486 18032
2616 1 5 . 1 1 76 76 VAL C C 76 180.000 180.000 176.573 3.427 18032
2617 1 5 . 1 1 76 76 VAL CA C 76 62.900 62.900 62.540 0.360 18032
2618 1 5 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.366 -0.166 18032
2619 1 5 . 1 1 76 76 VAL H H 76 7.010 7.010 7.650 -0.640 18032
2620 1 5 . 1 1 77 77 LEU N N 77 131.600 131.600 129.696 1.904 18032
2621 1 5 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.071 -0.041 18032
2622 1 5 . 1 1 77 77 LEU C C 77 179.000 179.000 179.036 -0.036 18032
2623 1 5 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.492 0.608 18032
2624 1 5 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.870 0.130 18032
2625 1 5 . 1 1 77 77 LEU H H 77 8.860 8.860 8.788 0.072 18032
2626 1 5 . 1 1 78 78 LYS N N 78 116.700 116.700 118.456 -1.756 18032
2627 1 5 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.037 0.173 18032
2628 1 5 . 1 1 78 78 LYS C C 78 178.000 178.000 178.381 -0.381 18032
2629 1 5 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.330 -0.230 18032
2630 1 5 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.950 -0.850 18032
2631 1 5 . 1 1 78 78 LYS H H 78 9.540 9.540 8.157 1.383 18032
2632 1 5 . 1 1 79 79 ASN N N 79 121.500 121.500 119.899 1.601 18032
2633 1 5 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.423 0.227 18032
2634 1 5 . 1 1 79 79 ASN C C 79 176.200 176.200 177.514 -1.314 18032
2635 1 5 . 1 1 79 79 ASN CA C 79 54.600 54.600 56.329 -1.729 18032
2636 1 5 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.157 -0.957 18032
2637 1 5 . 1 1 79 79 ASN H H 79 7.340 7.340 7.944 -0.604 18032
2638 1 5 . 1 1 80 80 LEU N N 80 124.300 124.300 121.416 2.884 18032
2639 1 5 . 1 1 80 80 LEU HA H 80 4.030 4.030 3.949 0.081 18032
2640 1 5 . 1 1 80 80 LEU C C 80 178.700 178.700 177.999 0.701 18032
2641 1 5 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.253 0.547 18032
2642 1 5 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.616 -0.816 18032
2643 1 5 . 1 1 80 80 LEU H H 80 8.260 8.260 8.373 -0.113 18032
2644 1 5 . 1 1 81 81 ALA N N 81 118.100 118.100 120.663 -2.563 18032
2645 1 5 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.947 -0.078 18032
2646 1 5 . 1 1 81 81 ALA C C 81 177.600 177.600 179.185 -1.585 18032
2647 1 5 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.070 0.130 18032
2648 1 5 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.087 -0.787 18032
2649 1 5 . 1 1 81 81 ALA H H 81 8.580 8.580 7.767 0.813 18032
2650 1 5 . 1 1 82 82 ALA N N 82 119.800 119.800 120.748 -0.948 18032
2651 1 5 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.962 0.248 18032
2652 1 5 . 1 1 82 82 ALA C C 82 180.700 180.700 179.593 1.107 18032
2653 1 5 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.681 0.719 18032
2654 1 5 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.425 -0.525 18032
2655 1 5 . 1 1 82 82 ALA H H 82 7.230 7.230 7.706 -0.476 18032
2656 1 5 . 1 1 83 83 ARG N N 83 118.300 118.300 118.128 0.172 18032
2657 1 5 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.090 0.250 18032
2658 1 5 . 1 1 83 83 ARG C C 83 180.500 180.500 178.979 1.521 18032
2659 1 5 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.974 0.526 18032
2660 1 5 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.674 2.226 18032
2661 1 5 . 1 1 83 83 ARG H H 83 8.510 8.510 7.930 0.580 18032
2662 1 5 . 1 1 84 84 ILE N N 84 121.300 121.300 120.093 1.207 18032
2663 1 5 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.670 -0.290 18032
2664 1 5 . 1 1 84 84 ILE C C 84 177.300 177.300 177.389 -0.089 18032
2665 1 5 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.381 0.819 18032
2666 1 5 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.283 0.417 18032
2667 1 5 . 1 1 84 84 ILE H H 84 8.340 8.340 8.295 0.045 18032
2668 1 5 . 1 1 85 85 ASP N N 85 120.200 120.200 119.970 0.230 18032
2669 1 5 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.305 0.105 18032
2670 1 5 . 1 1 85 85 ASP C C 85 180.200 180.200 178.510 1.690 18032
2671 1 5 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.523 0.477 18032
2672 1 5 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.948 -1.448 18032
2673 1 5 . 1 1 85 85 ASP H H 85 8.330 8.330 8.111 0.219 18032
2674 1 5 . 1 1 86 86 GLU N N 86 121.100 121.100 119.191 1.909 18032
2675 1 5 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.119 0.001 18032
2676 1 5 . 1 1 86 86 GLU C C 86 179.800 179.800 179.349 0.451 18032
2677 1 5 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.092 0.208 18032
2678 1 5 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.485 0.014 18032
2679 1 5 . 1 1 86 86 GLU H H 86 8.060 8.060 7.914 0.146 18032
2680 1 5 . 1 1 87 87 LEU N N 87 122.700 122.700 119.492 3.208 18032
2681 1 5 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.139 0.061 18032
2682 1 5 . 1 1 87 87 LEU C C 87 180.500 180.500 179.296 1.204 18032
2683 1 5 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.374 0.826 18032
2684 1 5 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.840 0.260 18032
2685 1 5 . 1 1 87 87 LEU H H 87 8.090 8.090 7.652 0.438 18032
2686 1 5 . 1 1 88 88 VAL N N 88 122.800 122.800 119.822 2.978 18032
2687 1 5 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.691 -0.151 18032
2688 1 5 . 1 1 88 88 VAL C C 88 179.200 179.200 177.791 1.409 18032
2689 1 5 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.552 0.249 18032
2690 1 5 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.270 1.030 18032
2691 1 5 . 1 1 88 88 VAL H H 88 9.030 9.030 7.959 1.071 18032
2692 1 5 . 1 1 89 89 ALA N N 89 122.900 122.900 121.632 1.268 18032
2693 1 5 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.110 0.110 18032
2694 1 5 . 1 1 89 89 ALA C C 89 180.000 180.000 179.253 0.747 18032
2695 1 5 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.964 -0.264 18032
2696 1 5 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.174 -0.174 18032
2697 1 5 . 1 1 89 89 ALA H H 89 8.170 8.170 7.788 0.382 18032
2698 1 5 . 1 1 90 90 ALA N N 90 120.100 120.100 119.480 0.620 18032
2699 1 5 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.251 0.019 18032
2700 1 5 . 1 1 90 90 ALA C C 90 179.200 179.200 178.473 0.727 18032
2701 1 5 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.247 -0.347 18032
2702 1 5 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.578 -0.078 18032
2703 1 5 . 1 1 90 90 ALA H H 90 7.820 7.820 7.820 0.000 18032
2704 1 5 . 1 1 91 91 LYS N N 91 118.900 118.900 118.529 0.371 18032
2705 1 5 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.266 -0.076 18032
2706 1 5 . 1 1 91 91 LYS C C 91 178.400 178.400 178.188 0.212 18032
2707 1 5 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.640 0.860 18032
2708 1 5 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.842 -0.442 18032
2709 1 5 . 1 1 91 91 LYS H H 91 7.660 7.660 7.749 -0.089 18032
2710 1 5 . 1 1 92 92 GLY N N 92 107.200 107.200 106.036 1.164 18032
2711 1 5 . 1 1 92 92 GLY C C 92 174.700 174.700 173.639 1.061 18032
2712 1 5 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.217 0.783 18032
2713 1 5 . 1 1 92 92 GLY H H 92 8.090 8.090 7.818 0.272 18032
2714 1 5 . 1 1 93 93 ALA N N 93 123.300 123.300 121.190 2.110 18032
2715 1 5 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.603 -0.283 18032
2716 1 5 . 1 1 93 93 ALA C C 93 178.300 178.300 175.243 3.057 18032
2717 1 5 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.844 1.256 18032
2718 1 5 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.806 -1.806 18032
2719 1 5 . 1 1 93 93 ALA H H 93 7.900 7.900 7.630 0.270 18032
2720 1 5 . 1 1 94 94 LEU N N 94 119.800 119.800 119.328 0.472 18032
2721 1 5 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.744 -0.454 18032
2722 1 5 . 1 1 94 94 LEU C C 94 177.900 177.900 177.041 0.859 18032
2723 1 5 . 1 1 94 94 LEU CA C 94 55.900 55.900 53.731 2.169 18032
2724 1 5 . 1 1 94 94 LEU CB C 94 42.300 42.300 45.060 -2.760 18032
2725 1 5 . 1 1 94 94 LEU H H 94 7.940 7.940 8.348 -0.408 18032
2726 1 5 . 1 1 95 95 GLU N N 95 120.100 120.100 120.518 -0.418 18032
2727 1 5 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.208 -0.018 18032
2728 1 5 . 1 1 95 95 GLU C C 95 176.500 176.500 176.237 0.263 18032
2729 1 5 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.261 0.639 18032
2730 1 5 . 1 1 95 95 GLU CB C 95 30.200 30.200 30.086 0.114 18032
2731 1 5 . 1 1 95 95 GLU H H 95 8.130 8.130 8.510 -0.380 18032
2732 1 5 . 1 1 96 96 HIS N N 96 119.200 119.200 124.974 -5.774 18032
2733 1 5 . 1 1 96 96 HIS CA C 96 56.300 56.300 57.070 -0.770 18032
2734 1 5 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.851 1.449 18032
2735 1 5 . 1 1 96 96 HIS H H 96 8.160 8.160 8.744 -0.584 18032
2736 1 6 . 1 1 2 2 THR HA H 2 4.580 4.580 4.808 -0.228 18032
2737 1 6 . 1 1 2 2 THR C C 2 174.500 174.500 172.976 1.524 18032
2738 1 6 . 1 1 2 2 THR CA C 2 61.700 61.700 61.712 -0.012 18032
2739 1 6 . 1 1 2 2 THR CB C 2 70.400 70.400 70.373 0.028 18032
2740 1 6 . 1 1 3 3 SER N N 3 120.600 120.600 117.163 3.437 18032
2741 1 6 . 1 1 3 3 SER HA H 3 4.770 4.770 4.974 -0.204 18032
2742 1 6 . 1 1 3 3 SER C C 3 175.100 175.100 174.865 0.235 18032
2743 1 6 . 1 1 3 3 SER CA C 3 58.300 58.300 57.615 0.684 18032
2744 1 6 . 1 1 3 3 SER CB C 3 65.000 65.000 65.281 -0.282 18032
2745 1 6 . 1 1 3 3 SER H H 3 9.090 9.090 8.249 0.841 18032
2746 1 6 . 1 1 4 4 THR N N 4 120.500 120.500 119.814 0.686 18032
2747 1 6 . 1 1 4 4 THR HA H 4 4.230 4.230 4.361 -0.131 18032
2748 1 6 . 1 1 4 4 THR C C 4 176.200 176.200 176.333 -0.133 18032
2749 1 6 . 1 1 4 4 THR CA C 4 67.700 67.700 66.285 1.415 18032
2750 1 6 . 1 1 4 4 THR CB C 4 67.500 67.500 68.963 -1.463 18032
2751 1 6 . 1 1 4 4 THR H H 4 8.890 8.890 8.733 0.157 18032
2752 1 6 . 1 1 5 5 PHE N N 5 121.100 121.100 122.093 -0.993 18032
2753 1 6 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.325 -0.525 18032
2754 1 6 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.039 1.661 18032
2755 1 6 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.609 0.091 18032
2756 1 6 . 1 1 5 5 PHE H H 5 9.110 9.110 8.426 0.684 18032
2757 1 6 . 1 1 6 6 ASP N N 6 119.800 119.800 118.963 0.837 18032
2758 1 6 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.115 -0.275 18032
2759 1 6 . 1 1 6 6 ASP C C 6 179.200 179.200 178.437 0.763 18032
2760 1 6 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.369 0.531 18032
2761 1 6 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.599 0.301 18032
2762 1 6 . 1 1 6 6 ASP H H 6 8.120 8.120 8.533 -0.413 18032
2763 1 6 . 1 1 7 7 ARG N N 7 119.200 119.200 118.947 0.253 18032
2764 1 6 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.069 0.001 18032
2765 1 6 . 1 1 7 7 ARG C C 7 179.400 179.400 178.950 0.450 18032
2766 1 6 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.419 0.881 18032
2767 1 6 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.711 1.389 18032
2768 1 6 . 1 1 7 7 ARG H H 7 8.020 8.020 7.644 0.376 18032
2769 1 6 . 1 1 8 8 VAL N N 8 120.600 120.600 120.115 0.485 18032
2770 1 6 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.697 -0.187 18032
2771 1 6 . 1 1 8 8 VAL C C 8 176.800 176.800 177.820 -1.020 18032
2772 1 6 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.871 0.129 18032
2773 1 6 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.360 0.240 18032
2774 1 6 . 1 1 8 8 VAL H H 8 8.520 8.520 8.307 0.213 18032
2775 1 6 . 1 1 9 9 ALA N N 9 122.800 122.800 121.268 1.532 18032
2776 1 6 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.787 -0.117 18032
2777 1 6 . 1 1 9 9 ALA C C 9 179.000 179.000 179.563 -0.563 18032
2778 1 6 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.459 0.341 18032
2779 1 6 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.658 -0.458 18032
2780 1 6 . 1 1 9 9 ALA H H 9 8.920 8.920 8.212 0.708 18032
2781 1 6 . 1 1 10 10 THR N N 10 114.300 114.300 115.846 -1.546 18032
2782 1 6 . 1 1 10 10 THR HA H 10 3.800 3.800 4.005 -0.205 18032
2783 1 6 . 1 1 10 10 THR C C 10 175.500 175.500 176.617 -1.117 18032
2784 1 6 . 1 1 10 10 THR CA C 10 67.400 67.400 67.088 0.312 18032
2785 1 6 . 1 1 10 10 THR CB C 10 68.900 68.900 68.535 0.365 18032
2786 1 6 . 1 1 10 10 THR H H 10 7.790 7.790 7.460 0.330 18032
2787 1 6 . 1 1 11 11 ILE N N 11 122.100 122.100 122.024 0.076 18032
2788 1 6 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.638 0.242 18032
2789 1 6 . 1 1 11 11 ILE C C 11 179.700 179.700 177.997 1.703 18032
2790 1 6 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.645 -0.145 18032
2791 1 6 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.721 0.879 18032
2792 1 6 . 1 1 11 11 ILE H H 11 7.760 7.760 8.150 -0.390 18032
2793 1 6 . 1 1 12 12 ILE N N 12 123.100 123.100 119.513 3.587 18032
2794 1 6 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.697 -0.287 18032
2795 1 6 . 1 1 12 12 ILE C C 12 176.800 176.800 177.692 -0.892 18032
2796 1 6 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.148 1.852 18032
2797 1 6 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.575 0.325 18032
2798 1 6 . 1 1 12 12 ILE H H 12 8.750 8.750 8.036 0.714 18032
2799 1 6 . 1 1 13 13 ALA N N 13 122.600 122.600 123.027 -0.427 18032
2800 1 6 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.192 0.088 18032
2801 1 6 . 1 1 13 13 ALA C C 13 180.700 180.700 179.449 1.251 18032
2802 1 6 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.339 0.361 18032
2803 1 6 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.321 0.279 18032
2804 1 6 . 1 1 13 13 ALA H H 13 8.430 8.430 8.077 0.353 18032
2805 1 6 . 1 1 14 14 GLU N N 14 114.500 114.500 115.495 -0.995 18032
2806 1 6 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.190 0.000 18032
2807 1 6 . 1 1 14 14 GLU C C 14 179.100 179.100 178.795 0.305 18032
2808 1 6 . 1 1 14 14 GLU CA C 14 58.400 58.400 57.912 0.488 18032
2809 1 6 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.319 0.681 18032
2810 1 6 . 1 1 14 14 GLU H H 14 8.290 8.290 8.042 0.248 18032
2811 1 6 . 1 1 15 15 THR N N 15 115.500 115.500 115.068 0.432 18032
2812 1 6 . 1 1 15 15 THR HA H 15 4.080 4.080 4.212 -0.132 18032
2813 1 6 . 1 1 15 15 THR C C 15 176.200 176.200 175.784 0.416 18032
2814 1 6 . 1 1 15 15 THR CA C 15 66.500 66.500 65.489 1.011 18032
2815 1 6 . 1 1 15 15 THR CB C 15 69.400 69.400 69.539 -0.139 18032
2816 1 6 . 1 1 15 15 THR H H 15 8.390 8.390 8.093 0.297 18032
2817 1 6 . 1 1 16 16 CYS N N 16 116.000 116.000 117.929 -1.929 18032
2818 1 6 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.612 -0.042 18032
2819 1 6 . 1 1 16 16 CYS C C 16 173.700 173.700 173.343 0.357 18032
2820 1 6 . 1 1 16 16 CYS CA C 16 59.200 59.200 59.231 -0.031 18032
2821 1 6 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.693 0.907 18032
2822 1 6 . 1 1 16 16 CYS H H 16 8.130 8.130 8.022 0.108 18032
2823 1 6 . 1 1 17 17 ASP N N 17 119.900 119.900 120.269 -0.369 18032
2824 1 6 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.451 -0.041 18032
2825 1 6 . 1 1 17 17 ASP C C 17 174.700 174.700 174.912 -0.212 18032
2826 1 6 . 1 1 17 17 ASP CA C 17 55.200 55.200 54.981 0.219 18032
2827 1 6 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.768 -0.868 18032
2828 1 6 . 1 1 17 17 ASP H H 17 7.740 7.740 7.983 -0.243 18032
2829 1 6 . 1 1 18 18 ILE N N 18 119.100 119.100 120.129 -1.029 18032
2830 1 6 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.557 0.033 18032
2831 1 6 . 1 1 18 18 ILE C C 18 179.400 179.400 174.091 5.309 18032
2832 1 6 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.959 0.841 18032
2833 1 6 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.114 3.886 18032
2834 1 6 . 1 1 18 18 ILE H H 18 7.410 7.410 7.463 -0.053 18032
2835 1 6 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.494 -0.124 18032
2836 1 6 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.099 0.001 18032
2837 1 6 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.293 -0.193 18032
2838 1 6 . 1 1 20 20 ARG N N 20 129.100 129.100 125.985 3.115 18032
2839 1 6 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.910 -0.050 18032
2840 1 6 . 1 1 20 20 ARG C C 20 178.500 178.500 178.368 0.132 18032
2841 1 6 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.056 -0.256 18032
2842 1 6 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.703 -0.203 18032
2843 1 6 . 1 1 20 20 ARG H H 20 9.150 9.150 8.868 0.282 18032
2844 1 6 . 1 1 21 21 GLU N N 21 117.300 117.300 116.992 0.308 18032
2845 1 6 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.195 0.105 18032
2846 1 6 . 1 1 21 21 GLU C C 21 177.200 177.200 177.284 -0.084 18032
2847 1 6 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.510 0.090 18032
2848 1 6 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.007 -0.507 18032
2849 1 6 . 1 1 21 21 GLU H H 21 9.820 9.820 8.781 1.039 18032
2850 1 6 . 1 1 22 22 THR N N 22 110.200 110.200 111.285 -1.085 18032
2851 1 6 . 1 1 22 22 THR HA H 22 4.340 4.340 4.413 -0.073 18032
2852 1 6 . 1 1 22 22 THR C C 22 173.000 173.000 174.239 -1.239 18032
2853 1 6 . 1 1 22 22 THR CA C 22 62.300 62.300 61.885 0.416 18032
2854 1 6 . 1 1 22 22 THR CB C 22 70.000 70.000 69.286 0.714 18032
2855 1 6 . 1 1 22 22 THR H H 22 7.780 7.780 7.667 0.113 18032
2856 1 6 . 1 1 23 23 ILE N N 23 122.600 122.600 125.230 -2.630 18032
2857 1 6 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.347 -0.347 18032
2858 1 6 . 1 1 23 23 ILE C C 23 174.700 174.700 175.252 -0.552 18032
2859 1 6 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.800 1.800 18032
2860 1 6 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.260 0.240 18032
2861 1 6 . 1 1 23 23 ILE H H 23 7.590 7.590 7.431 0.159 18032
2862 1 6 . 1 1 24 24 THR N N 24 118.600 118.600 120.434 -1.834 18032
2863 1 6 . 1 1 24 24 THR HA H 24 5.290 5.290 4.997 0.293 18032
2864 1 6 . 1 1 24 24 THR CA C 24 59.000 59.000 59.147 -0.147 18032
2865 1 6 . 1 1 24 24 THR CB C 24 69.800 69.800 69.028 0.773 18032
2866 1 6 . 1 1 24 24 THR H H 24 8.580 8.580 8.626 -0.046 18032
2867 1 6 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.609 0.161 18032
2868 1 6 . 1 1 25 25 PRO C C 25 176.200 176.200 177.233 -1.033 18032
2869 1 6 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.587 0.313 18032
2870 1 6 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.333 0.467 18032
2871 1 6 . 1 1 26 26 GLU N N 26 110.900 110.900 112.973 -2.073 18032
2872 1 6 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.294 -0.124 18032
2873 1 6 . 1 1 26 26 GLU C C 26 176.900 176.900 176.029 0.871 18032
2874 1 6 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.426 0.874 18032
2875 1 6 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.708 0.792 18032
2876 1 6 . 1 1 26 26 GLU H H 26 7.380 7.380 8.523 -1.143 18032
2877 1 6 . 1 1 27 27 SER N N 27 118.100 118.100 117.745 0.355 18032
2878 1 6 . 1 1 27 27 SER HA H 27 4.300 4.300 4.443 -0.143 18032
2879 1 6 . 1 1 27 27 SER C C 27 172.100 172.100 173.694 -1.594 18032
2880 1 6 . 1 1 27 27 SER CA C 27 61.000 61.000 59.633 1.367 18032
2881 1 6 . 1 1 27 27 SER CB C 27 64.200 64.200 63.877 0.323 18032
2882 1 6 . 1 1 27 27 SER H H 27 8.040 8.040 7.407 0.633 18032
2883 1 6 . 1 1 28 28 HIS N N 28 128.200 128.200 126.511 1.689 18032
2884 1 6 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.814 -0.074 18032
2885 1 6 . 1 1 28 28 HIS C C 28 178.200 178.200 175.886 2.314 18032
2886 1 6 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.176 0.124 18032
2887 1 6 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.589 1.011 18032
2888 1 6 . 1 1 28 28 HIS H H 28 10.680 10.680 8.992 1.688 18032
2889 1 6 . 1 1 29 29 ALA N N 29 130.100 130.100 131.672 -1.572 18032
2890 1 6 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.062 -0.112 18032
2891 1 6 . 1 1 29 29 ALA C C 29 175.700 175.700 178.656 -2.956 18032
2892 1 6 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.823 0.077 18032
2893 1 6 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.881 -0.081 18032
2894 1 6 . 1 1 29 29 ALA H H 29 9.270 9.270 8.603 0.667 18032
2895 1 6 . 1 1 30 30 ILE N N 30 113.300 113.300 115.956 -2.656 18032
2896 1 6 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.305 -0.095 18032
2897 1 6 . 1 1 30 30 ILE C C 30 177.200 177.200 177.911 -0.711 18032
2898 1 6 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.960 -1.060 18032
2899 1 6 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.707 0.393 18032
2900 1 6 . 1 1 30 30 ILE H H 30 8.540 8.540 7.885 0.655 18032
2901 1 6 . 1 1 31 31 ASP N N 31 120.600 120.600 119.168 1.432 18032
2902 1 6 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.426 -0.246 18032
2903 1 6 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.838 0.662 18032
2904 1 6 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.145 -1.145 18032
2905 1 6 . 1 1 31 31 ASP H H 31 8.480 8.480 8.265 0.215 18032
2906 1 6 . 1 1 32 32 ASP N N 32 114.200 114.200 119.105 -4.905 18032
2907 1 6 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.724 0.336 18032
2908 1 6 . 1 1 32 32 ASP C C 32 177.500 177.500 178.199 -0.699 18032
2909 1 6 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.302 0.698 18032
2910 1 6 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.215 -0.015 18032
2911 1 6 . 1 1 32 32 ASP H H 32 8.450 8.450 7.967 0.483 18032
2912 1 6 . 1 1 33 33 LEU N N 33 114.000 114.000 119.064 -5.064 18032
2913 1 6 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.236 0.234 18032
2914 1 6 . 1 1 33 33 LEU C C 33 177.400 177.400 177.347 0.053 18032
2915 1 6 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.845 -0.945 18032
2916 1 6 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.637 -1.437 18032
2917 1 6 . 1 1 33 33 LEU H H 33 7.230 7.230 8.094 -0.864 18032
2918 1 6 . 1 1 34 34 GLY N N 34 107.000 107.000 106.477 0.523 18032
2919 1 6 . 1 1 34 34 GLY C C 34 174.500 174.500 174.326 0.174 18032
2920 1 6 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.041 1.859 18032
2921 1 6 . 1 1 34 34 GLY H H 34 7.330 7.330 7.683 -0.353 18032
2922 1 6 . 1 1 35 35 ILE N N 35 120.700 120.700 120.533 0.167 18032
2923 1 6 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.314 -0.204 18032
2924 1 6 . 1 1 35 35 ILE C C 35 175.300 175.300 175.095 0.205 18032
2925 1 6 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.208 1.792 18032
2926 1 6 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.676 -1.776 18032
2927 1 6 . 1 1 35 35 ILE H H 35 7.820 7.820 8.128 -0.308 18032
2928 1 6 . 1 1 36 36 ASP N N 36 126.800 126.800 127.851 -1.051 18032
2929 1 6 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.659 0.181 18032
2930 1 6 . 1 1 36 36 ASP C C 36 177.100 177.100 177.254 -0.154 18032
2931 1 6 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.582 -1.982 18032
2932 1 6 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.258 -0.758 18032
2933 1 6 . 1 1 36 36 ASP H H 36 8.780 8.780 8.459 0.321 18032
2934 1 6 . 1 1 37 37 SER N N 37 114.000 114.000 117.193 -3.193 18032
2935 1 6 . 1 1 37 37 SER HA H 37 4.170 4.170 4.648 -0.478 18032
2936 1 6 . 1 1 37 37 SER C C 37 175.700 175.700 176.854 -1.154 18032
2937 1 6 . 1 1 37 37 SER CA C 37 60.700 60.700 61.434 -0.734 18032
2938 1 6 . 1 1 37 37 SER CB C 37 65.800 65.800 63.298 2.502 18032
2939 1 6 . 1 1 37 37 SER H H 37 8.750 8.750 8.672 0.078 18032
2940 1 6 . 1 1 38 38 LEU N N 38 123.200 123.200 121.164 2.036 18032
2941 1 6 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.080 0.140 18032
2942 1 6 . 1 1 38 38 LEU C C 38 180.200 180.200 178.435 1.765 18032
2943 1 6 . 1 1 38 38 LEU CA C 38 57.800 57.800 58.169 -0.369 18032
2944 1 6 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.701 -0.701 18032
2945 1 6 . 1 1 38 38 LEU H H 38 8.030 8.030 8.286 -0.256 18032
2946 1 6 . 1 1 39 39 ASP N N 39 121.500 121.500 119.324 2.176 18032
2947 1 6 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.493 -0.053 18032
2948 1 6 . 1 1 39 39 ASP C C 39 179.000 179.000 178.519 0.481 18032
2949 1 6 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.874 -0.674 18032
2950 1 6 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.489 0.712 18032
2951 1 6 . 1 1 39 39 ASP H H 39 8.390 8.390 7.663 0.727 18032
2952 1 6 . 1 1 40 40 PHE N N 40 118.900 118.900 120.641 -1.741 18032
2953 1 6 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.351 -0.301 18032
2954 1 6 . 1 1 40 40 PHE C C 40 177.500 177.500 176.842 0.658 18032
2955 1 6 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.237 1.562 18032
2956 1 6 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.216 -0.816 18032
2957 1 6 . 1 1 40 40 PHE H H 40 8.640 8.640 8.151 0.489 18032
2958 1 6 . 1 1 41 41 LEU N N 41 118.800 118.800 120.705 -1.905 18032
2959 1 6 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.739 0.241 18032
2960 1 6 . 1 1 41 41 LEU C C 41 179.300 179.300 178.620 0.680 18032
2961 1 6 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.040 0.360 18032
2962 1 6 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.387 -0.387 18032
2963 1 6 . 1 1 41 41 LEU H H 41 7.660 7.660 7.761 -0.101 18032
2964 1 6 . 1 1 42 42 ASP N N 42 119.700 119.700 119.079 0.621 18032
2965 1 6 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.682 -0.092 18032
2966 1 6 . 1 1 42 42 ASP C C 42 179.800 179.800 178.833 0.967 18032
2967 1 6 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.617 -0.017 18032
2968 1 6 . 1 1 42 42 ASP CB C 42 40.300 40.300 41.062 -0.762 18032
2969 1 6 . 1 1 42 42 ASP H H 42 7.320 7.320 7.744 -0.424 18032
2970 1 6 . 1 1 43 43 ILE N N 43 122.700 122.700 119.296 3.404 18032
2971 1 6 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.704 -0.184 18032
2972 1 6 . 1 1 43 43 ILE C C 43 177.100 177.100 177.963 -0.863 18032
2973 1 6 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.662 0.538 18032
2974 1 6 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.097 0.803 18032
2975 1 6 . 1 1 43 43 ILE H H 43 8.090 8.090 8.082 0.008 18032
2976 1 6 . 1 1 44 44 ALA N N 44 122.600 122.600 121.865 0.735 18032
2977 1 6 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.899 -0.039 18032
2978 1 6 . 1 1 44 44 ALA C C 44 178.500 178.500 179.855 -1.355 18032
2979 1 6 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.550 1.149 18032
2980 1 6 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.713 0.587 18032
2981 1 6 . 1 1 44 44 ALA H H 44 8.830 8.830 7.407 1.423 18032
2982 1 6 . 1 1 45 45 PHE N N 45 117.300 117.300 119.309 -2.009 18032
2983 1 6 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.034 0.466 18032
2984 1 6 . 1 1 45 45 PHE C C 45 178.300 178.300 177.373 0.927 18032
2985 1 6 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.919 -1.319 18032
2986 1 6 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.514 0.186 18032
2987 1 6 . 1 1 45 45 PHE H H 45 8.090 8.090 8.059 0.031 18032
2988 1 6 . 1 1 46 46 ALA N N 46 121.600 121.600 122.489 -0.889 18032
2989 1 6 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.074 0.096 18032
2990 1 6 . 1 1 46 46 ALA C C 46 181.400 181.400 179.774 1.626 18032
2991 1 6 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.154 -0.153 18032
2992 1 6 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.201 1.000 18032
2993 1 6 . 1 1 46 46 ALA H H 46 7.780 7.780 7.712 0.068 18032
2994 1 6 . 1 1 47 47 ILE N N 47 122.900 122.900 118.474 4.426 18032
2995 1 6 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.728 0.052 18032
2996 1 6 . 1 1 47 47 ILE C C 47 177.000 177.000 177.494 -0.494 18032
2997 1 6 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.624 0.376 18032
2998 1 6 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.546 0.454 18032
2999 1 6 . 1 1 47 47 ILE H H 47 8.960 8.960 7.887 1.073 18032
3000 1 6 . 1 1 48 48 ASP N N 48 123.900 123.900 120.956 2.944 18032
3001 1 6 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.162 0.208 18032
3002 1 6 . 1 1 48 48 ASP C C 48 180.200 180.200 178.499 1.701 18032
3003 1 6 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.218 -0.518 18032
3004 1 6 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.865 -0.565 18032
3005 1 6 . 1 1 48 48 ASP H H 48 8.950 8.950 8.142 0.808 18032
3006 1 6 . 1 1 49 49 LYS N N 49 117.500 117.500 118.188 -0.688 18032
3007 1 6 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.073 -0.053 18032
3008 1 6 . 1 1 49 49 LYS C C 49 178.800 178.800 179.264 -0.464 18032
3009 1 6 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.706 -0.106 18032
3010 1 6 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.462 0.138 18032
3011 1 6 . 1 1 49 49 LYS H H 49 7.590 7.590 7.598 -0.008 18032
3012 1 6 . 1 1 50 50 ALA N N 50 121.100 121.100 122.417 -1.317 18032
3013 1 6 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.130 -0.100 18032
3014 1 6 . 1 1 50 50 ALA C C 50 179.400 179.400 179.396 0.004 18032
3015 1 6 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.624 -0.025 18032
3016 1 6 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.599 0.502 18032
3017 1 6 . 1 1 50 50 ALA H H 50 8.180 8.180 7.666 0.514 18032
3018 1 6 . 1 1 51 51 PHE N N 51 111.600 111.600 114.900 -3.300 18032
3019 1 6 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.480 0.060 18032
3020 1 6 . 1 1 51 51 PHE C C 51 176.200 176.200 175.711 0.489 18032
3021 1 6 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.797 -0.397 18032
3022 1 6 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.059 1.441 18032
3023 1 6 . 1 1 51 51 PHE H H 51 8.620 8.620 8.095 0.525 18032
3024 1 6 . 1 1 52 52 GLY N N 52 112.100 112.100 107.052 5.048 18032
3025 1 6 . 1 1 52 52 GLY C C 52 174.900 174.900 174.455 0.445 18032
3026 1 6 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.637 1.863 18032
3027 1 6 . 1 1 52 52 GLY H H 52 8.140 8.140 7.583 0.557 18032
3028 1 6 . 1 1 53 53 ILE N N 53 111.000 111.000 112.843 -1.843 18032
3029 1 6 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.514 0.156 18032
3030 1 6 . 1 1 53 53 ILE C C 53 173.500 173.500 174.174 -0.674 18032
3031 1 6 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.323 0.277 18032
3032 1 6 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.118 2.782 18032
3033 1 6 . 1 1 53 53 ILE H H 53 7.520 7.520 7.524 -0.004 18032
3034 1 6 . 1 1 54 54 LYS N N 54 119.600 119.600 121.873 -2.273 18032
3035 1 6 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.680 -0.070 18032
3036 1 6 . 1 1 54 54 LYS C C 54 175.900 175.900 176.192 -0.292 18032
3037 1 6 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.535 -1.235 18032
3038 1 6 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.195 -0.195 18032
3039 1 6 . 1 1 54 54 LYS H H 54 7.940 7.940 8.237 -0.297 18032
3040 1 6 . 1 1 55 55 LEU N N 55 130.800 130.800 128.276 2.524 18032
3041 1 6 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.379 -0.529 18032
3042 1 6 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.032 1.268 18032
3043 1 6 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.953 0.048 18032
3044 1 6 . 1 1 55 55 LEU H H 55 10.700 10.700 8.457 2.243 18032
3045 1 6 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.238 0.362 18032
3046 1 6 . 1 1 56 56 PRO C C 56 174.600 174.600 175.616 -1.016 18032
3047 1 6 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.849 -0.349 18032
3048 1 6 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.958 -2.458 18032
3049 1 6 . 1 1 57 57 LEU N N 57 121.300 121.300 121.840 -0.540 18032
3050 1 6 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.455 -0.045 18032
3051 1 6 . 1 1 57 57 LEU C C 57 179.100 179.100 177.915 1.185 18032
3052 1 6 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.995 0.205 18032
3053 1 6 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.385 0.715 18032
3054 1 6 . 1 1 57 57 LEU H H 57 7.490 7.490 7.268 0.222 18032
3055 1 6 . 1 1 58 58 GLU N N 58 119.200 119.200 118.516 0.684 18032
3056 1 6 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.965 0.015 18032
3057 1 6 . 1 1 58 58 GLU C C 58 178.500 178.500 178.687 -0.187 18032
3058 1 6 . 1 1 58 58 GLU CA C 58 59.900 59.900 60.073 -0.173 18032
3059 1 6 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.379 0.321 18032
3060 1 6 . 1 1 58 58 GLU H H 58 8.860 8.860 8.533 0.327 18032
3061 1 6 . 1 1 59 59 LYS N N 59 122.100 122.100 120.676 1.424 18032
3062 1 6 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.060 0.040 18032
3063 1 6 . 1 1 59 59 LYS C C 59 178.700 178.700 178.654 0.046 18032
3064 1 6 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.283 -0.383 18032
3065 1 6 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.150 0.050 18032
3066 1 6 . 1 1 59 59 LYS H H 59 7.420 7.420 7.953 -0.533 18032
3067 1 6 . 1 1 60 60 TRP N N 60 120.000 120.000 118.513 1.487 18032
3068 1 6 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.510 -0.310 18032
3069 1 6 . 1 1 60 60 TRP C C 60 178.300 178.300 179.554 -1.254 18032
3070 1 6 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.668 0.032 18032
3071 1 6 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.120 0.480 18032
3072 1 6 . 1 1 60 60 TRP H H 60 8.140 8.140 7.859 0.281 18032
3073 1 6 . 1 1 61 61 THR N N 61 113.200 113.200 116.379 -3.179 18032
3074 1 6 . 1 1 61 61 THR HA H 61 3.870 3.870 4.246 -0.376 18032
3075 1 6 . 1 1 61 61 THR C C 61 176.300 176.300 176.734 -0.434 18032
3076 1 6 . 1 1 61 61 THR CA C 61 67.100 67.100 67.269 -0.169 18032
3077 1 6 . 1 1 61 61 THR CB C 61 68.900 68.900 68.502 0.398 18032
3078 1 6 . 1 1 61 61 THR H H 61 8.390 8.390 8.354 0.036 18032
3079 1 6 . 1 1 62 62 GLN N N 62 122.300 122.300 120.669 1.631 18032
3080 1 6 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.155 -0.115 18032
3081 1 6 . 1 1 62 62 GLN C C 62 177.900 177.900 178.442 -0.542 18032
3082 1 6 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.219 -0.219 18032
3083 1 6 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.778 -0.678 18032
3084 1 6 . 1 1 62 62 GLN H H 62 7.810 7.810 7.761 0.049 18032
3085 1 6 . 1 1 63 63 GLU N N 63 119.000 119.000 120.743 -1.743 18032
3086 1 6 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.129 -0.059 18032
3087 1 6 . 1 1 63 63 GLU C C 63 180.000 180.000 179.485 0.515 18032
3088 1 6 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.581 0.619 18032
3089 1 6 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.683 0.717 18032
3090 1 6 . 1 1 63 63 GLU H H 63 8.410 8.410 8.244 0.166 18032
3091 1 6 . 1 1 64 64 VAL N N 64 119.600 119.600 120.587 -0.987 18032
3092 1 6 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.107 0.013 18032
3093 1 6 . 1 1 64 64 VAL C C 64 180.600 180.600 178.707 1.893 18032
3094 1 6 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.090 -0.690 18032
3095 1 6 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.523 0.377 18032
3096 1 6 . 1 1 64 64 VAL H H 64 8.170 8.170 8.023 0.147 18032
3097 1 6 . 1 1 65 65 ASN N N 65 121.700 121.700 119.781 1.919 18032
3098 1 6 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.451 0.059 18032
3099 1 6 . 1 1 65 65 ASN C C 65 177.300 177.300 176.623 0.677 18032
3100 1 6 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.808 0.492 18032
3101 1 6 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.606 -0.506 18032
3102 1 6 . 1 1 65 65 ASN H H 65 8.550 8.550 8.280 0.270 18032
3103 1 6 . 1 1 66 66 ASP N N 66 118.000 118.000 116.492 1.508 18032
3104 1 6 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.852 -0.082 18032
3105 1 6 . 1 1 66 66 ASP C C 66 177.000 177.000 175.993 1.007 18032
3106 1 6 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.087 0.713 18032
3107 1 6 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.758 0.542 18032
3108 1 6 . 1 1 66 66 ASP H H 66 8.470 8.470 7.961 0.509 18032
3109 1 6 . 1 1 67 67 GLY N N 67 108.600 108.600 108.141 0.459 18032
3110 1 6 . 1 1 67 67 GLY C C 67 174.800 174.800 175.394 -0.594 18032
3111 1 6 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.291 -0.291 18032
3112 1 6 . 1 1 67 67 GLY H H 67 8.100 8.100 7.831 0.269 18032
3113 1 6 . 1 1 68 68 LYS N N 68 118.900 118.900 118.775 0.125 18032
3114 1 6 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.155 0.155 18032
3115 1 6 . 1 1 68 68 LYS C C 68 175.100 175.100 176.594 -1.494 18032
3116 1 6 . 1 1 68 68 LYS CA C 68 56.400 56.400 58.034 -1.634 18032
3117 1 6 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.067 0.433 18032
3118 1 6 . 1 1 68 68 LYS H H 68 8.400 8.400 8.006 0.394 18032
3119 1 6 . 1 1 69 69 ALA N N 69 120.400 120.400 121.640 -1.240 18032
3120 1 6 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.687 -0.057 18032
3121 1 6 . 1 1 69 69 ALA C C 69 175.900 175.900 175.721 0.179 18032
3122 1 6 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.975 -0.475 18032
3123 1 6 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.138 2.862 18032
3124 1 6 . 1 1 69 69 ALA H H 69 7.490 7.490 7.694 -0.204 18032
3125 1 6 . 1 1 70 70 THR N N 70 109.700 109.700 117.593 -7.893 18032
3126 1 6 . 1 1 70 70 THR HA H 70 4.750 4.750 4.294 0.456 18032
3127 1 6 . 1 1 70 70 THR C C 70 175.600 175.600 176.480 -0.880 18032
3128 1 6 . 1 1 70 70 THR CA C 70 59.600 59.600 63.181 -3.581 18032
3129 1 6 . 1 1 70 70 THR CB C 70 70.700 70.700 69.976 0.724 18032
3130 1 6 . 1 1 70 70 THR H H 70 7.930 7.930 8.304 -0.374 18032
3131 1 6 . 1 1 71 71 THR N N 71 111.300 111.300 119.218 -7.918 18032
3132 1 6 . 1 1 71 71 THR HA H 71 4.110 4.110 3.915 0.195 18032
3133 1 6 . 1 1 71 71 THR C C 71 177.500 177.500 176.638 0.862 18032
3134 1 6 . 1 1 71 71 THR CA C 71 65.100 65.100 66.247 -1.147 18032
3135 1 6 . 1 1 71 71 THR CB C 71 68.900 68.900 68.642 0.258 18032
3136 1 6 . 1 1 71 71 THR H H 71 9.030 9.030 8.622 0.408 18032
3137 1 6 . 1 1 72 72 GLU N N 72 122.300 122.300 120.690 1.610 18032
3138 1 6 . 1 1 72 72 GLU HA H 72 3.860 3.860 3.995 -0.135 18032
3139 1 6 . 1 1 72 72 GLU C C 72 177.500 177.500 179.165 -1.665 18032
3140 1 6 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.637 0.263 18032
3141 1 6 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.105 -0.105 18032
3142 1 6 . 1 1 72 72 GLU H H 72 8.830 8.830 8.813 0.017 18032
3143 1 6 . 1 1 73 73 GLN N N 73 116.900 116.900 116.308 0.592 18032
3144 1 6 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.803 -0.173 18032
3145 1 6 . 1 1 73 73 GLN C C 73 174.000 174.000 177.158 -3.158 18032
3146 1 6 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.075 -0.075 18032
3147 1 6 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.532 0.068 18032
3148 1 6 . 1 1 73 73 GLN H H 73 7.280 7.280 7.583 -0.303 18032
3149 1 6 . 1 1 74 74 TYR N N 74 112.700 112.700 112.586 0.114 18032
3150 1 6 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.252 -0.172 18032
3151 1 6 . 1 1 74 74 TYR C C 74 173.900 173.900 176.237 -2.337 18032
3152 1 6 . 1 1 74 74 TYR CA C 74 56.800 56.800 57.877 -1.077 18032
3153 1 6 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.604 0.696 18032
3154 1 6 . 1 1 74 74 TYR H H 74 6.310 6.310 7.577 -1.267 18032
3155 1 6 . 1 1 75 75 PHE N N 75 108.000 108.000 116.002 -8.002 18032
3156 1 6 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.355 0.305 18032
3157 1 6 . 1 1 75 75 PHE C C 75 177.900 177.900 174.721 3.179 18032
3158 1 6 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.385 -1.985 18032
3159 1 6 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.232 -0.532 18032
3160 1 6 . 1 1 75 75 PHE H H 75 7.760 7.760 7.957 -0.197 18032
3161 1 6 . 1 1 76 76 VAL N N 76 120.700 120.700 121.053 -0.353 18032
3162 1 6 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.547 0.223 18032
3163 1 6 . 1 1 76 76 VAL C C 76 180.000 180.000 176.999 3.001 18032
3164 1 6 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.493 1.407 18032
3165 1 6 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.529 -0.328 18032
3166 1 6 . 1 1 76 76 VAL H H 76 7.010 7.010 7.668 -0.658 18032
3167 1 6 . 1 1 77 77 LEU N N 77 131.600 131.600 129.156 2.444 18032
3168 1 6 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.070 -0.040 18032
3169 1 6 . 1 1 77 77 LEU C C 77 179.000 179.000 179.145 -0.145 18032
3170 1 6 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.528 0.572 18032
3171 1 6 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.021 -0.021 18032
3172 1 6 . 1 1 77 77 LEU H H 77 8.860 8.860 8.689 0.171 18032
3173 1 6 . 1 1 78 78 LYS N N 78 116.700 116.700 119.008 -2.308 18032
3174 1 6 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.022 0.188 18032
3175 1 6 . 1 1 78 78 LYS C C 78 178.000 178.000 178.838 -0.838 18032
3176 1 6 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.090 0.010 18032
3177 1 6 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.753 -0.653 18032
3178 1 6 . 1 1 78 78 LYS H H 78 9.540 9.540 8.448 1.092 18032
3179 1 6 . 1 1 79 79 ASN N N 79 121.500 121.500 119.724 1.776 18032
3180 1 6 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.493 0.157 18032
3181 1 6 . 1 1 79 79 ASN C C 79 176.200 176.200 177.563 -1.363 18032
3182 1 6 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.393 -0.793 18032
3183 1 6 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.075 -0.875 18032
3184 1 6 . 1 1 79 79 ASN H H 79 7.340 7.340 7.875 -0.535 18032
3185 1 6 . 1 1 80 80 LEU N N 80 124.300 124.300 122.235 2.065 18032
3186 1 6 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.035 -0.005 18032
3187 1 6 . 1 1 80 80 LEU C C 80 178.700 178.700 177.858 0.842 18032
3188 1 6 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.281 0.519 18032
3189 1 6 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.661 -0.861 18032
3190 1 6 . 1 1 80 80 LEU H H 80 8.260 8.260 8.557 -0.297 18032
3191 1 6 . 1 1 81 81 ALA N N 81 118.100 118.100 120.493 -2.393 18032
3192 1 6 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.897 -0.027 18032
3193 1 6 . 1 1 81 81 ALA C C 81 177.600 177.600 179.093 -1.493 18032
3194 1 6 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.974 0.226 18032
3195 1 6 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.024 -0.724 18032
3196 1 6 . 1 1 81 81 ALA H H 81 8.580 8.580 7.782 0.798 18032
3197 1 6 . 1 1 82 82 ALA N N 82 119.800 119.800 121.252 -1.452 18032
3198 1 6 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.940 0.270 18032
3199 1 6 . 1 1 82 82 ALA C C 82 180.700 180.700 179.357 1.343 18032
3200 1 6 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.709 0.691 18032
3201 1 6 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.375 -0.475 18032
3202 1 6 . 1 1 82 82 ALA H H 82 7.230 7.230 7.711 -0.481 18032
3203 1 6 . 1 1 83 83 ARG N N 83 118.300 118.300 119.048 -0.748 18032
3204 1 6 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.033 0.307 18032
3205 1 6 . 1 1 83 83 ARG C C 83 180.500 180.500 179.057 1.443 18032
3206 1 6 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.291 0.209 18032
3207 1 6 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.638 2.262 18032
3208 1 6 . 1 1 83 83 ARG H H 83 8.510 8.510 7.939 0.571 18032
3209 1 6 . 1 1 84 84 ILE N N 84 121.300 121.300 119.969 1.331 18032
3210 1 6 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.627 -0.247 18032
3211 1 6 . 1 1 84 84 ILE C C 84 177.300 177.300 177.786 -0.486 18032
3212 1 6 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.323 0.877 18032
3213 1 6 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.352 0.348 18032
3214 1 6 . 1 1 84 84 ILE H H 84 8.340 8.340 8.132 0.208 18032
3215 1 6 . 1 1 85 85 ASP N N 85 120.200 120.200 119.729 0.471 18032
3216 1 6 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.295 0.115 18032
3217 1 6 . 1 1 85 85 ASP C C 85 180.200 180.200 178.473 1.727 18032
3218 1 6 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.632 0.368 18032
3219 1 6 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.778 -1.278 18032
3220 1 6 . 1 1 85 85 ASP H H 85 8.330 8.330 7.902 0.428 18032
3221 1 6 . 1 1 86 86 GLU N N 86 121.100 121.100 119.369 1.731 18032
3222 1 6 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.090 0.030 18032
3223 1 6 . 1 1 86 86 GLU C C 86 179.800 179.800 179.396 0.404 18032
3224 1 6 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.214 0.086 18032
3225 1 6 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.519 -0.019 18032
3226 1 6 . 1 1 86 86 GLU H H 86 8.060 8.060 8.263 -0.203 18032
3227 1 6 . 1 1 87 87 LEU N N 87 122.700 122.700 119.709 2.991 18032
3228 1 6 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.125 0.075 18032
3229 1 6 . 1 1 87 87 LEU C C 87 180.500 180.500 179.174 1.326 18032
3230 1 6 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.402 0.798 18032
3231 1 6 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.788 0.312 18032
3232 1 6 . 1 1 87 87 LEU H H 87 8.090 8.090 7.678 0.412 18032
3233 1 6 . 1 1 88 88 VAL N N 88 122.800 122.800 120.585 2.215 18032
3234 1 6 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.672 -0.132 18032
3235 1 6 . 1 1 88 88 VAL C C 88 179.200 179.200 178.206 0.994 18032
3236 1 6 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.127 0.673 18032
3237 1 6 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.738 1.562 18032
3238 1 6 . 1 1 88 88 VAL H H 88 9.030 9.030 8.065 0.965 18032
3239 1 6 . 1 1 89 89 ALA N N 89 122.900 122.900 122.305 0.595 18032
3240 1 6 . 1 1 89 89 ALA HA H 89 4.220 4.220 3.932 0.288 18032
3241 1 6 . 1 1 89 89 ALA C C 89 180.000 180.000 179.098 0.902 18032
3242 1 6 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.162 -0.462 18032
3243 1 6 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.125 -0.125 18032
3244 1 6 . 1 1 89 89 ALA H H 89 8.170 8.170 7.861 0.309 18032
3245 1 6 . 1 1 90 90 ALA N N 90 120.100 120.100 120.792 -0.692 18032
3246 1 6 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.093 0.177 18032
3247 1 6 . 1 1 90 90 ALA C C 90 179.200 179.200 179.102 0.098 18032
3248 1 6 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.523 -0.622 18032
3249 1 6 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.493 0.007 18032
3250 1 6 . 1 1 90 90 ALA H H 90 7.820 7.820 7.827 -0.007 18032
3251 1 6 . 1 1 91 91 LYS N N 91 118.900 118.900 120.049 -1.149 18032
3252 1 6 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.188 0.002 18032
3253 1 6 . 1 1 91 91 LYS C C 91 178.400 178.400 178.748 -0.348 18032
3254 1 6 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.276 1.224 18032
3255 1 6 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.880 -0.480 18032
3256 1 6 . 1 1 91 91 LYS H H 91 7.660 7.660 7.875 -0.215 18032
3257 1 6 . 1 1 92 92 GLY N N 92 107.200 107.200 106.736 0.464 18032
3258 1 6 . 1 1 92 92 GLY C C 92 174.700 174.700 174.261 0.439 18032
3259 1 6 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.285 0.715 18032
3260 1 6 . 1 1 92 92 GLY H H 92 8.090 8.090 7.826 0.264 18032
3261 1 6 . 1 1 93 93 ALA N N 93 123.300 123.300 123.749 -0.449 18032
3262 1 6 . 1 1 93 93 ALA HA H 93 4.320 4.320 3.983 0.337 18032
3263 1 6 . 1 1 93 93 ALA C C 93 178.300 178.300 177.354 0.946 18032
3264 1 6 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.444 0.656 18032
3265 1 6 . 1 1 93 93 ALA CB C 93 19.000 19.000 17.289 1.711 18032
3266 1 6 . 1 1 93 93 ALA H H 93 7.900 7.900 7.704 0.196 18032
3267 1 6 . 1 1 94 94 LEU N N 94 119.800 119.800 117.207 2.593 18032
3268 1 6 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.204 0.086 18032
3269 1 6 . 1 1 94 94 LEU C C 94 177.900 177.900 177.314 0.586 18032
3270 1 6 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.628 1.272 18032
3271 1 6 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.078 1.222 18032
3272 1 6 . 1 1 94 94 LEU H H 94 7.940 7.940 8.336 -0.396 18032
3273 1 6 . 1 1 95 95 GLU N N 95 120.100 120.100 117.438 2.662 18032
3274 1 6 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.269 -0.079 18032
3275 1 6 . 1 1 95 95 GLU C C 95 176.500 176.500 177.719 -1.219 18032
3276 1 6 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.331 -0.431 18032
3277 1 6 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.489 0.711 18032
3278 1 6 . 1 1 95 95 GLU H H 95 8.130 8.130 8.069 0.061 18032
3279 1 6 . 1 1 96 96 HIS N N 96 119.200 119.200 116.309 2.891 18032
3280 1 6 . 1 1 96 96 HIS CA C 96 56.300 56.300 58.585 -2.285 18032
3281 1 6 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.290 2.010 18032
3282 1 6 . 1 1 96 96 HIS H H 96 8.160 8.160 8.260 -0.100 18032
3283 1 7 . 1 1 2 2 THR HA H 2 4.580 4.580 4.487 0.093 18032
3284 1 7 . 1 1 2 2 THR C C 2 174.500 174.500 172.628 1.872 18032
3285 1 7 . 1 1 2 2 THR CA C 2 61.700 61.700 62.375 -0.675 18032
3286 1 7 . 1 1 2 2 THR CB C 2 70.400 70.400 69.200 1.200 18032
3287 1 7 . 1 1 3 3 SER N N 3 120.600 120.600 120.568 0.032 18032
3288 1 7 . 1 1 3 3 SER HA H 3 4.770 4.770 4.641 0.129 18032
3289 1 7 . 1 1 3 3 SER C C 3 175.100 175.100 174.309 0.791 18032
3290 1 7 . 1 1 3 3 SER CA C 3 58.300 58.300 57.435 0.865 18032
3291 1 7 . 1 1 3 3 SER CB C 3 65.000 65.000 63.963 1.037 18032
3292 1 7 . 1 1 3 3 SER H H 3 9.090 9.090 8.412 0.678 18032
3293 1 7 . 1 1 4 4 THR N N 4 120.500 120.500 118.831 1.669 18032
3294 1 7 . 1 1 4 4 THR HA H 4 4.230 4.230 4.427 -0.197 18032
3295 1 7 . 1 1 4 4 THR C C 4 176.200 176.200 175.962 0.238 18032
3296 1 7 . 1 1 4 4 THR CA C 4 67.700 67.700 66.475 1.225 18032
3297 1 7 . 1 1 4 4 THR CB C 4 67.500 67.500 69.024 -1.524 18032
3298 1 7 . 1 1 4 4 THR H H 4 8.890 8.890 8.656 0.234 18032
3299 1 7 . 1 1 5 5 PHE N N 5 121.100 121.100 122.187 -1.087 18032
3300 1 7 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.255 -0.455 18032
3301 1 7 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.585 2.115 18032
3302 1 7 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.614 0.086 18032
3303 1 7 . 1 1 5 5 PHE H H 5 9.110 9.110 8.615 0.495 18032
3304 1 7 . 1 1 6 6 ASP N N 6 119.800 119.800 118.924 0.876 18032
3305 1 7 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.022 -0.182 18032
3306 1 7 . 1 1 6 6 ASP C C 6 179.200 179.200 178.321 0.879 18032
3307 1 7 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.675 0.225 18032
3308 1 7 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.745 0.155 18032
3309 1 7 . 1 1 6 6 ASP H H 6 8.120 8.120 8.542 -0.422 18032
3310 1 7 . 1 1 7 7 ARG N N 7 119.200 119.200 118.825 0.375 18032
3311 1 7 . 1 1 7 7 ARG HA H 7 4.070 4.070 3.985 0.085 18032
3312 1 7 . 1 1 7 7 ARG C C 7 179.400 179.400 178.795 0.605 18032
3313 1 7 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.393 0.907 18032
3314 1 7 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.643 1.457 18032
3315 1 7 . 1 1 7 7 ARG H H 7 8.020 8.020 7.816 0.204 18032
3316 1 7 . 1 1 8 8 VAL N N 8 120.600 120.600 120.109 0.491 18032
3317 1 7 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.714 -0.204 18032
3318 1 7 . 1 1 8 8 VAL C C 8 176.800 176.800 177.814 -1.014 18032
3319 1 7 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.820 0.180 18032
3320 1 7 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.368 0.232 18032
3321 1 7 . 1 1 8 8 VAL H H 8 8.520 8.520 8.031 0.489 18032
3322 1 7 . 1 1 9 9 ALA N N 9 122.800 122.800 120.779 2.021 18032
3323 1 7 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.956 -0.286 18032
3324 1 7 . 1 1 9 9 ALA C C 9 179.000 179.000 179.639 -0.639 18032
3325 1 7 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.212 0.588 18032
3326 1 7 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.723 -0.523 18032
3327 1 7 . 1 1 9 9 ALA H H 9 8.920 8.920 8.131 0.789 18032
3328 1 7 . 1 1 10 10 THR N N 10 114.300 114.300 116.993 -2.693 18032
3329 1 7 . 1 1 10 10 THR HA H 10 3.800 3.800 3.872 -0.072 18032
3330 1 7 . 1 1 10 10 THR C C 10 175.500 175.500 176.533 -1.033 18032
3331 1 7 . 1 1 10 10 THR CA C 10 67.400 67.400 67.571 -0.171 18032
3332 1 7 . 1 1 10 10 THR CB C 10 68.900 68.900 68.706 0.195 18032
3333 1 7 . 1 1 10 10 THR H H 10 7.790 7.790 7.708 0.082 18032
3334 1 7 . 1 1 11 11 ILE N N 11 122.100 122.100 122.123 -0.023 18032
3335 1 7 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.655 0.225 18032
3336 1 7 . 1 1 11 11 ILE C C 11 179.700 179.700 178.075 1.625 18032
3337 1 7 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.843 -0.343 18032
3338 1 7 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.864 0.736 18032
3339 1 7 . 1 1 11 11 ILE H H 11 7.760 7.760 8.083 -0.323 18032
3340 1 7 . 1 1 12 12 ILE N N 12 123.100 123.100 118.974 4.126 18032
3341 1 7 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.650 -0.240 18032
3342 1 7 . 1 1 12 12 ILE C C 12 176.800 176.800 178.046 -1.246 18032
3343 1 7 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.095 1.905 18032
3344 1 7 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.512 0.388 18032
3345 1 7 . 1 1 12 12 ILE H H 12 8.750 8.750 7.896 0.854 18032
3346 1 7 . 1 1 13 13 ALA N N 13 122.600 122.600 123.746 -1.146 18032
3347 1 7 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.394 -0.114 18032
3348 1 7 . 1 1 13 13 ALA C C 13 180.700 180.700 179.670 1.030 18032
3349 1 7 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.041 0.659 18032
3350 1 7 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.438 0.162 18032
3351 1 7 . 1 1 13 13 ALA H H 13 8.430 8.430 7.914 0.516 18032
3352 1 7 . 1 1 14 14 GLU N N 14 114.500 114.500 116.271 -1.771 18032
3353 1 7 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.172 0.018 18032
3354 1 7 . 1 1 14 14 GLU C C 14 179.100 179.100 179.147 -0.047 18032
3355 1 7 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.126 0.274 18032
3356 1 7 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.540 0.460 18032
3357 1 7 . 1 1 14 14 GLU H H 14 8.290 8.290 8.028 0.262 18032
3358 1 7 . 1 1 15 15 THR N N 15 115.500 115.500 115.118 0.382 18032
3359 1 7 . 1 1 15 15 THR HA H 15 4.080 4.080 4.234 -0.154 18032
3360 1 7 . 1 1 15 15 THR C C 15 176.200 176.200 175.598 0.602 18032
3361 1 7 . 1 1 15 15 THR CA C 15 66.500 66.500 65.647 0.853 18032
3362 1 7 . 1 1 15 15 THR CB C 15 69.400 69.400 69.311 0.089 18032
3363 1 7 . 1 1 15 15 THR H H 15 8.390 8.390 8.346 0.044 18032
3364 1 7 . 1 1 16 16 CYS N N 16 116.000 116.000 119.108 -3.108 18032
3365 1 7 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.551 0.019 18032
3366 1 7 . 1 1 16 16 CYS C C 16 173.700 173.700 174.038 -0.338 18032
3367 1 7 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.307 0.893 18032
3368 1 7 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.898 0.702 18032
3369 1 7 . 1 1 16 16 CYS H H 16 8.130 8.130 7.993 0.137 18032
3370 1 7 . 1 1 17 17 ASP N N 17 119.900 119.900 120.712 -0.812 18032
3371 1 7 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.482 -0.072 18032
3372 1 7 . 1 1 17 17 ASP C C 17 174.700 174.700 174.912 -0.212 18032
3373 1 7 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.132 0.068 18032
3374 1 7 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.718 -0.818 18032
3375 1 7 . 1 1 17 17 ASP H H 17 7.740 7.740 7.744 -0.004 18032
3376 1 7 . 1 1 18 18 ILE N N 18 119.100 119.100 119.248 -0.148 18032
3377 1 7 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.629 -0.039 18032
3378 1 7 . 1 1 18 18 ILE C C 18 179.400 179.400 174.015 5.385 18032
3379 1 7 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.974 0.826 18032
3380 1 7 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.388 3.612 18032
3381 1 7 . 1 1 18 18 ILE H H 18 7.410 7.410 7.512 -0.102 18032
3382 1 7 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.463 -0.093 18032
3383 1 7 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.466 -0.366 18032
3384 1 7 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.111 -0.011 18032
3385 1 7 . 1 1 20 20 ARG N N 20 129.100 129.100 126.589 2.511 18032
3386 1 7 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.904 -0.044 18032
3387 1 7 . 1 1 20 20 ARG C C 20 178.500 178.500 178.471 0.029 18032
3388 1 7 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.176 -0.376 18032
3389 1 7 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.808 -0.308 18032
3390 1 7 . 1 1 20 20 ARG H H 20 9.150 9.150 8.890 0.260 18032
3391 1 7 . 1 1 21 21 GLU N N 21 117.300 117.300 116.601 0.699 18032
3392 1 7 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.211 0.089 18032
3393 1 7 . 1 1 21 21 GLU C C 21 177.200 177.200 177.438 -0.238 18032
3394 1 7 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.401 0.199 18032
3395 1 7 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.076 -0.577 18032
3396 1 7 . 1 1 21 21 GLU H H 21 9.820 9.820 8.883 0.938 18032
3397 1 7 . 1 1 22 22 THR N N 22 110.200 110.200 109.903 0.297 18032
3398 1 7 . 1 1 22 22 THR HA H 22 4.340 4.340 4.429 -0.089 18032
3399 1 7 . 1 1 22 22 THR C C 22 173.000 173.000 174.596 -1.596 18032
3400 1 7 . 1 1 22 22 THR CA C 22 62.300 62.300 61.418 0.882 18032
3401 1 7 . 1 1 22 22 THR CB C 22 70.000 70.000 69.491 0.509 18032
3402 1 7 . 1 1 22 22 THR H H 22 7.780 7.780 7.737 0.043 18032
3403 1 7 . 1 1 23 23 ILE N N 23 122.600 122.600 125.251 -2.651 18032
3404 1 7 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.314 -0.314 18032
3405 1 7 . 1 1 23 23 ILE C C 23 174.700 174.700 175.414 -0.714 18032
3406 1 7 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.850 1.750 18032
3407 1 7 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.987 1.512 18032
3408 1 7 . 1 1 23 23 ILE H H 23 7.590 7.590 7.332 0.258 18032
3409 1 7 . 1 1 24 24 THR N N 24 118.600 118.600 119.069 -0.469 18032
3410 1 7 . 1 1 24 24 THR HA H 24 5.290 5.290 5.009 0.281 18032
3411 1 7 . 1 1 24 24 THR CA C 24 59.000 59.000 58.941 0.059 18032
3412 1 7 . 1 1 24 24 THR CB C 24 69.800 69.800 69.484 0.316 18032
3413 1 7 . 1 1 24 24 THR H H 24 8.580 8.580 8.369 0.211 18032
3414 1 7 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.275 0.495 18032
3415 1 7 . 1 1 25 25 PRO C C 25 176.200 176.200 177.152 -0.952 18032
3416 1 7 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.584 0.316 18032
3417 1 7 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.319 0.481 18032
3418 1 7 . 1 1 26 26 GLU N N 26 110.900 110.900 114.239 -3.339 18032
3419 1 7 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.361 -0.191 18032
3420 1 7 . 1 1 26 26 GLU C C 26 176.900 176.900 175.656 1.244 18032
3421 1 7 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.316 0.984 18032
3422 1 7 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.695 -0.195 18032
3423 1 7 . 1 1 26 26 GLU H H 26 7.380 7.380 8.313 -0.933 18032
3424 1 7 . 1 1 27 27 SER N N 27 118.100 118.100 116.780 1.320 18032
3425 1 7 . 1 1 27 27 SER HA H 27 4.300 4.300 4.533 -0.233 18032
3426 1 7 . 1 1 27 27 SER C C 27 172.100 172.100 173.445 -1.345 18032
3427 1 7 . 1 1 27 27 SER CA C 27 61.000 61.000 58.931 2.069 18032
3428 1 7 . 1 1 27 27 SER CB C 27 64.200 64.200 64.134 0.066 18032
3429 1 7 . 1 1 27 27 SER H H 27 8.040 8.040 7.469 0.571 18032
3430 1 7 . 1 1 28 28 HIS N N 28 128.200 128.200 125.674 2.526 18032
3431 1 7 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.775 -0.035 18032
3432 1 7 . 1 1 28 28 HIS C C 28 178.200 178.200 175.811 2.389 18032
3433 1 7 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.261 0.039 18032
3434 1 7 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.469 1.131 18032
3435 1 7 . 1 1 28 28 HIS H H 28 10.680 10.680 9.014 1.666 18032
3436 1 7 . 1 1 29 29 ALA N N 29 130.100 130.100 131.815 -1.715 18032
3437 1 7 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.134 -0.184 18032
3438 1 7 . 1 1 29 29 ALA C C 29 175.700 175.700 178.728 -3.028 18032
3439 1 7 . 1 1 29 29 ALA CA C 29 55.900 55.900 56.030 -0.130 18032
3440 1 7 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.209 -0.409 18032
3441 1 7 . 1 1 29 29 ALA H H 29 9.270 9.270 8.727 0.543 18032
3442 1 7 . 1 1 30 30 ILE N N 30 113.300 113.300 116.550 -3.250 18032
3443 1 7 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.334 -0.124 18032
3444 1 7 . 1 1 30 30 ILE C C 30 177.200 177.200 178.146 -0.946 18032
3445 1 7 . 1 1 30 30 ILE CA C 30 62.900 62.900 64.004 -1.104 18032
3446 1 7 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.307 0.793 18032
3447 1 7 . 1 1 30 30 ILE H H 30 8.540 8.540 7.763 0.777 18032
3448 1 7 . 1 1 31 31 ASP N N 31 120.600 120.600 119.042 1.558 18032
3449 1 7 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.358 -0.178 18032
3450 1 7 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.976 0.524 18032
3451 1 7 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.194 -1.194 18032
3452 1 7 . 1 1 31 31 ASP H H 31 8.480 8.480 8.268 0.212 18032
3453 1 7 . 1 1 32 32 ASP N N 32 114.200 114.200 118.441 -4.241 18032
3454 1 7 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.557 0.503 18032
3455 1 7 . 1 1 32 32 ASP C C 32 177.500 177.500 178.402 -0.902 18032
3456 1 7 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.065 -0.065 18032
3457 1 7 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.786 0.414 18032
3458 1 7 . 1 1 32 32 ASP H H 32 8.450 8.450 7.992 0.458 18032
3459 1 7 . 1 1 33 33 LEU N N 33 114.000 114.000 118.581 -4.581 18032
3460 1 7 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.301 0.169 18032
3461 1 7 . 1 1 33 33 LEU C C 33 177.400 177.400 177.611 -0.211 18032
3462 1 7 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.725 -0.825 18032
3463 1 7 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.528 -1.328 18032
3464 1 7 . 1 1 33 33 LEU H H 33 7.230 7.230 7.956 -0.726 18032
3465 1 7 . 1 1 34 34 GLY N N 34 107.000 107.000 106.808 0.192 18032
3466 1 7 . 1 1 34 34 GLY C C 34 174.500 174.500 174.970 -0.470 18032
3467 1 7 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.601 1.299 18032
3468 1 7 . 1 1 34 34 GLY H H 34 7.330 7.330 8.044 -0.714 18032
3469 1 7 . 1 1 35 35 ILE N N 35 120.700 120.700 119.817 0.883 18032
3470 1 7 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.099 0.011 18032
3471 1 7 . 1 1 35 35 ILE C C 35 175.300 175.300 175.071 0.229 18032
3472 1 7 . 1 1 35 35 ILE CA C 35 62.000 62.000 61.733 0.267 18032
3473 1 7 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.131 -1.231 18032
3474 1 7 . 1 1 35 35 ILE H H 35 7.820 7.820 7.986 -0.166 18032
3475 1 7 . 1 1 36 36 ASP N N 36 126.800 126.800 125.258 1.542 18032
3476 1 7 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.834 0.006 18032
3477 1 7 . 1 1 36 36 ASP C C 36 177.100 177.100 177.169 -0.069 18032
3478 1 7 . 1 1 36 36 ASP CA C 36 52.600 52.600 52.481 0.118 18032
3479 1 7 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.535 -1.035 18032
3480 1 7 . 1 1 36 36 ASP H H 36 8.780 8.780 8.084 0.696 18032
3481 1 7 . 1 1 37 37 SER N N 37 114.000 114.000 118.851 -4.851 18032
3482 1 7 . 1 1 37 37 SER HA H 37 4.170 4.170 4.407 -0.237 18032
3483 1 7 . 1 1 37 37 SER C C 37 175.700 175.700 176.732 -1.032 18032
3484 1 7 . 1 1 37 37 SER CA C 37 60.700 60.700 61.526 -0.827 18032
3485 1 7 . 1 1 37 37 SER CB C 37 65.800 65.800 62.981 2.819 18032
3486 1 7 . 1 1 37 37 SER H H 37 8.750 8.750 8.653 0.097 18032
3487 1 7 . 1 1 38 38 LEU N N 38 123.200 123.200 120.442 2.758 18032
3488 1 7 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.141 0.079 18032
3489 1 7 . 1 1 38 38 LEU C C 38 180.200 180.200 179.009 1.191 18032
3490 1 7 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.782 0.018 18032
3491 1 7 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.717 0.283 18032
3492 1 7 . 1 1 38 38 LEU H H 38 8.030 8.030 8.247 -0.217 18032
3493 1 7 . 1 1 39 39 ASP N N 39 121.500 121.500 119.317 2.183 18032
3494 1 7 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.455 -0.015 18032
3495 1 7 . 1 1 39 39 ASP C C 39 179.000 179.000 178.654 0.346 18032
3496 1 7 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.851 -0.651 18032
3497 1 7 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.882 0.318 18032
3498 1 7 . 1 1 39 39 ASP H H 39 8.390 8.390 7.616 0.774 18032
3499 1 7 . 1 1 40 40 PHE N N 40 118.900 118.900 121.717 -2.817 18032
3500 1 7 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.333 -0.283 18032
3501 1 7 . 1 1 40 40 PHE C C 40 177.500 177.500 177.416 0.084 18032
3502 1 7 . 1 1 40 40 PHE CA C 40 61.800 61.800 61.112 0.688 18032
3503 1 7 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.496 -1.096 18032
3504 1 7 . 1 1 40 40 PHE H H 40 8.640 8.640 8.233 0.407 18032
3505 1 7 . 1 1 41 41 LEU N N 41 118.800 118.800 119.280 -0.480 18032
3506 1 7 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.914 0.066 18032
3507 1 7 . 1 1 41 41 LEU C C 41 179.300 179.300 178.768 0.532 18032
3508 1 7 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.293 0.107 18032
3509 1 7 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.355 -0.355 18032
3510 1 7 . 1 1 41 41 LEU H H 41 7.660 7.660 8.478 -0.818 18032
3511 1 7 . 1 1 42 42 ASP N N 42 119.700 119.700 119.412 0.288 18032
3512 1 7 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.741 -0.151 18032
3513 1 7 . 1 1 42 42 ASP C C 42 179.800 179.800 178.782 1.018 18032
3514 1 7 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.028 0.572 18032
3515 1 7 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.929 -0.629 18032
3516 1 7 . 1 1 42 42 ASP H H 42 7.320 7.320 7.831 -0.511 18032
3517 1 7 . 1 1 43 43 ILE N N 43 122.700 122.700 120.216 2.484 18032
3518 1 7 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.666 -0.146 18032
3519 1 7 . 1 1 43 43 ILE C C 43 177.100 177.100 177.432 -0.332 18032
3520 1 7 . 1 1 43 43 ILE CA C 43 65.200 65.200 65.138 0.062 18032
3521 1 7 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.774 0.126 18032
3522 1 7 . 1 1 43 43 ILE H H 43 8.090 8.090 8.015 0.075 18032
3523 1 7 . 1 1 44 44 ALA N N 44 122.600 122.600 122.223 0.377 18032
3524 1 7 . 1 1 44 44 ALA HA H 44 3.860 3.860 4.005 -0.145 18032
3525 1 7 . 1 1 44 44 ALA C C 44 178.500 178.500 179.623 -1.123 18032
3526 1 7 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.519 1.181 18032
3527 1 7 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.747 0.553 18032
3528 1 7 . 1 1 44 44 ALA H H 44 8.830 8.830 7.654 1.176 18032
3529 1 7 . 1 1 45 45 PHE N N 45 117.300 117.300 119.614 -2.314 18032
3530 1 7 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.031 0.469 18032
3531 1 7 . 1 1 45 45 PHE C C 45 178.300 178.300 177.500 0.800 18032
3532 1 7 . 1 1 45 45 PHE CA C 45 60.600 60.600 62.275 -1.675 18032
3533 1 7 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.763 -0.063 18032
3534 1 7 . 1 1 45 45 PHE H H 45 8.090 8.090 8.094 -0.004 18032
3535 1 7 . 1 1 46 46 ALA N N 46 121.600 121.600 122.704 -1.104 18032
3536 1 7 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.094 0.076 18032
3537 1 7 . 1 1 46 46 ALA C C 46 181.400 181.400 179.613 1.787 18032
3538 1 7 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.134 -0.134 18032
3539 1 7 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.069 1.131 18032
3540 1 7 . 1 1 46 46 ALA H H 46 7.780 7.780 7.977 -0.197 18032
3541 1 7 . 1 1 47 47 ILE N N 47 122.900 122.900 118.938 3.962 18032
3542 1 7 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.808 -0.028 18032
3543 1 7 . 1 1 47 47 ILE C C 47 177.000 177.000 177.525 -0.525 18032
3544 1 7 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.729 0.271 18032
3545 1 7 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.576 0.424 18032
3546 1 7 . 1 1 47 47 ILE H H 47 8.960 8.960 8.168 0.792 18032
3547 1 7 . 1 1 48 48 ASP N N 48 123.900 123.900 121.028 2.872 18032
3548 1 7 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.435 -0.065 18032
3549 1 7 . 1 1 48 48 ASP C C 48 180.200 180.200 178.725 1.475 18032
3550 1 7 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.571 0.129 18032
3551 1 7 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.861 -0.561 18032
3552 1 7 . 1 1 48 48 ASP H H 48 8.950 8.950 7.970 0.980 18032
3553 1 7 . 1 1 49 49 LYS N N 49 117.500 117.500 118.509 -1.009 18032
3554 1 7 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.109 -0.089 18032
3555 1 7 . 1 1 49 49 LYS C C 49 178.800 178.800 178.814 -0.014 18032
3556 1 7 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.583 0.017 18032
3557 1 7 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.517 0.083 18032
3558 1 7 . 1 1 49 49 LYS H H 49 7.590 7.590 7.715 -0.125 18032
3559 1 7 . 1 1 50 50 ALA N N 50 121.100 121.100 121.899 -0.799 18032
3560 1 7 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.092 -0.062 18032
3561 1 7 . 1 1 50 50 ALA C C 50 179.400 179.400 179.294 0.106 18032
3562 1 7 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.486 0.114 18032
3563 1 7 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.639 0.461 18032
3564 1 7 . 1 1 50 50 ALA H H 50 8.180 8.180 7.895 0.285 18032
3565 1 7 . 1 1 51 51 PHE N N 51 111.600 111.600 115.116 -3.516 18032
3566 1 7 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.499 0.041 18032
3567 1 7 . 1 1 51 51 PHE C C 51 176.200 176.200 175.913 0.287 18032
3568 1 7 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.578 -0.178 18032
3569 1 7 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.370 1.130 18032
3570 1 7 . 1 1 51 51 PHE H H 51 8.620 8.620 7.897 0.723 18032
3571 1 7 . 1 1 52 52 GLY N N 52 112.100 112.100 108.198 3.902 18032
3572 1 7 . 1 1 52 52 GLY C C 52 174.900 174.900 174.338 0.562 18032
3573 1 7 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.781 1.719 18032
3574 1 7 . 1 1 52 52 GLY H H 52 8.140 8.140 7.804 0.336 18032
3575 1 7 . 1 1 53 53 ILE N N 53 111.000 111.000 113.639 -2.639 18032
3576 1 7 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.559 0.111 18032
3577 1 7 . 1 1 53 53 ILE C C 53 173.500 173.500 173.831 -0.331 18032
3578 1 7 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.303 0.297 18032
3579 1 7 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.638 2.262 18032
3580 1 7 . 1 1 53 53 ILE H H 53 7.520 7.520 7.559 -0.039 18032
3581 1 7 . 1 1 54 54 LYS N N 54 119.600 119.600 120.428 -0.828 18032
3582 1 7 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.428 0.182 18032
3583 1 7 . 1 1 54 54 LYS C C 54 175.900 175.900 175.073 0.827 18032
3584 1 7 . 1 1 54 54 LYS CA C 54 53.300 53.300 55.160 -1.860 18032
3585 1 7 . 1 1 54 54 LYS CB C 54 33.000 33.000 34.128 -1.128 18032
3586 1 7 . 1 1 54 54 LYS H H 54 7.940 7.940 8.090 -0.150 18032
3587 1 7 . 1 1 55 55 LEU N N 55 130.800 130.800 126.806 3.994 18032
3588 1 7 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.281 -0.431 18032
3589 1 7 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.284 1.016 18032
3590 1 7 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.700 0.300 18032
3591 1 7 . 1 1 55 55 LEU H H 55 10.700 10.700 8.362 2.338 18032
3592 1 7 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.173 0.427 18032
3593 1 7 . 1 1 56 56 PRO C C 56 174.600 174.600 176.337 -1.737 18032
3594 1 7 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.187 -0.687 18032
3595 1 7 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.128 -2.628 18032
3596 1 7 . 1 1 57 57 LEU N N 57 121.300 121.300 123.891 -2.591 18032
3597 1 7 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.717 -0.307 18032
3598 1 7 . 1 1 57 57 LEU C C 57 179.100 179.100 178.504 0.596 18032
3599 1 7 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.514 -0.313 18032
3600 1 7 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.335 0.765 18032
3601 1 7 . 1 1 57 57 LEU H H 57 7.490 7.490 7.657 -0.167 18032
3602 1 7 . 1 1 58 58 GLU N N 58 119.200 119.200 118.762 0.438 18032
3603 1 7 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.920 0.060 18032
3604 1 7 . 1 1 58 58 GLU C C 58 178.500 178.500 178.622 -0.122 18032
3605 1 7 . 1 1 58 58 GLU CA C 58 59.900 59.900 60.024 -0.124 18032
3606 1 7 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.385 -0.685 18032
3607 1 7 . 1 1 58 58 GLU H H 58 8.860 8.860 8.465 0.395 18032
3608 1 7 . 1 1 59 59 LYS N N 59 122.100 122.100 119.809 2.291 18032
3609 1 7 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.022 0.078 18032
3610 1 7 . 1 1 59 59 LYS C C 59 178.700 178.700 179.050 -0.350 18032
3611 1 7 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.365 -0.465 18032
3612 1 7 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.971 0.229 18032
3613 1 7 . 1 1 59 59 LYS H H 59 7.420 7.420 7.989 -0.569 18032
3614 1 7 . 1 1 60 60 TRP N N 60 120.000 120.000 118.333 1.667 18032
3615 1 7 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.582 -0.382 18032
3616 1 7 . 1 1 60 60 TRP C C 60 178.300 178.300 179.527 -1.227 18032
3617 1 7 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.500 0.200 18032
3618 1 7 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.903 0.697 18032
3619 1 7 . 1 1 60 60 TRP H H 60 8.140 8.140 8.046 0.094 18032
3620 1 7 . 1 1 61 61 THR N N 61 113.200 113.200 116.249 -3.049 18032
3621 1 7 . 1 1 61 61 THR HA H 61 3.870 3.870 4.134 -0.264 18032
3622 1 7 . 1 1 61 61 THR C C 61 176.300 176.300 177.056 -0.756 18032
3623 1 7 . 1 1 61 61 THR CA C 61 67.100 67.100 67.260 -0.160 18032
3624 1 7 . 1 1 61 61 THR CB C 61 68.900 68.900 68.270 0.630 18032
3625 1 7 . 1 1 61 61 THR H H 61 8.390 8.390 8.410 -0.020 18032
3626 1 7 . 1 1 62 62 GLN N N 62 122.300 122.300 120.782 1.518 18032
3627 1 7 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.108 -0.068 18032
3628 1 7 . 1 1 62 62 GLN C C 62 177.900 177.900 178.485 -0.585 18032
3629 1 7 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.273 -0.273 18032
3630 1 7 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.614 -0.514 18032
3631 1 7 . 1 1 62 62 GLN H H 62 7.810 7.810 7.901 -0.091 18032
3632 1 7 . 1 1 63 63 GLU N N 63 119.000 119.000 120.700 -1.700 18032
3633 1 7 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.105 -0.035 18032
3634 1 7 . 1 1 63 63 GLU C C 63 180.000 180.000 179.608 0.392 18032
3635 1 7 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.568 0.632 18032
3636 1 7 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.725 0.675 18032
3637 1 7 . 1 1 63 63 GLU H H 63 8.410 8.410 8.013 0.397 18032
3638 1 7 . 1 1 64 64 VAL N N 64 119.600 119.600 120.629 -1.029 18032
3639 1 7 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.010 0.110 18032
3640 1 7 . 1 1 64 64 VAL C C 64 180.600 180.600 178.649 1.951 18032
3641 1 7 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.367 -0.967 18032
3642 1 7 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.941 -0.041 18032
3643 1 7 . 1 1 64 64 VAL H H 64 8.170 8.170 8.224 -0.054 18032
3644 1 7 . 1 1 65 65 ASN N N 65 121.700 121.700 119.122 2.578 18032
3645 1 7 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.515 -0.005 18032
3646 1 7 . 1 1 65 65 ASN C C 65 177.300 177.300 176.923 0.377 18032
3647 1 7 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.771 0.529 18032
3648 1 7 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.147 -0.047 18032
3649 1 7 . 1 1 65 65 ASN H H 65 8.550 8.550 8.222 0.328 18032
3650 1 7 . 1 1 66 66 ASP N N 66 118.000 118.000 117.144 0.856 18032
3651 1 7 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.732 0.038 18032
3652 1 7 . 1 1 66 66 ASP C C 66 177.000 177.000 177.152 -0.152 18032
3653 1 7 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.319 0.481 18032
3654 1 7 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.746 0.554 18032
3655 1 7 . 1 1 66 66 ASP H H 66 8.470 8.470 7.983 0.487 18032
3656 1 7 . 1 1 67 67 GLY N N 67 108.600 108.600 108.222 0.378 18032
3657 1 7 . 1 1 67 67 GLY C C 67 174.800 174.800 175.692 -0.892 18032
3658 1 7 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.066 -0.066 18032
3659 1 7 . 1 1 67 67 GLY H H 67 8.100 8.100 7.664 0.436 18032
3660 1 7 . 1 1 68 68 LYS N N 68 118.900 118.900 118.898 0.002 18032
3661 1 7 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.321 -0.011 18032
3662 1 7 . 1 1 68 68 LYS C C 68 175.100 175.100 176.506 -1.406 18032
3663 1 7 . 1 1 68 68 LYS CA C 68 56.400 56.400 56.781 -0.381 18032
3664 1 7 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.325 0.174 18032
3665 1 7 . 1 1 68 68 LYS H H 68 8.400 8.400 8.160 0.240 18032
3666 1 7 . 1 1 69 69 ALA N N 69 120.400 120.400 121.111 -0.711 18032
3667 1 7 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.797 -0.167 18032
3668 1 7 . 1 1 69 69 ALA C C 69 175.900 175.900 176.257 -0.357 18032
3669 1 7 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.870 -0.370 18032
3670 1 7 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.260 1.740 18032
3671 1 7 . 1 1 69 69 ALA H H 69 7.490 7.490 7.674 -0.184 18032
3672 1 7 . 1 1 70 70 THR N N 70 109.700 109.700 112.052 -2.352 18032
3673 1 7 . 1 1 70 70 THR HA H 70 4.750 4.750 4.619 0.131 18032
3674 1 7 . 1 1 70 70 THR C C 70 175.600 175.600 176.227 -0.627 18032
3675 1 7 . 1 1 70 70 THR CA C 70 59.600 59.600 60.485 -0.885 18032
3676 1 7 . 1 1 70 70 THR CB C 70 70.700 70.700 70.774 -0.074 18032
3677 1 7 . 1 1 70 70 THR H H 70 7.930 7.930 8.258 -0.328 18032
3678 1 7 . 1 1 71 71 THR N N 71 111.300 111.300 112.843 -1.543 18032
3679 1 7 . 1 1 71 71 THR HA H 71 4.110 4.110 4.166 -0.056 18032
3680 1 7 . 1 1 71 71 THR C C 71 177.500 177.500 176.570 0.930 18032
3681 1 7 . 1 1 71 71 THR CA C 71 65.100 65.100 65.890 -0.790 18032
3682 1 7 . 1 1 71 71 THR CB C 71 68.900 68.900 68.622 0.278 18032
3683 1 7 . 1 1 71 71 THR H H 71 9.030 9.030 8.434 0.596 18032
3684 1 7 . 1 1 72 72 GLU N N 72 122.300 122.300 122.664 -0.364 18032
3685 1 7 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.039 -0.179 18032
3686 1 7 . 1 1 72 72 GLU C C 72 177.500 177.500 178.999 -1.499 18032
3687 1 7 . 1 1 72 72 GLU CA C 72 59.900 59.900 60.107 -0.207 18032
3688 1 7 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.908 0.092 18032
3689 1 7 . 1 1 72 72 GLU H H 72 8.830 8.830 8.879 -0.049 18032
3690 1 7 . 1 1 73 73 GLN N N 73 116.900 116.900 117.081 -0.181 18032
3691 1 7 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.821 -0.191 18032
3692 1 7 . 1 1 73 73 GLN C C 73 174.000 174.000 177.012 -3.012 18032
3693 1 7 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.084 -0.084 18032
3694 1 7 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.400 0.200 18032
3695 1 7 . 1 1 73 73 GLN H H 73 7.280 7.280 7.645 -0.365 18032
3696 1 7 . 1 1 74 74 TYR N N 74 112.700 112.700 113.615 -0.915 18032
3697 1 7 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.171 -0.091 18032
3698 1 7 . 1 1 74 74 TYR C C 74 173.900 173.900 176.374 -2.474 18032
3699 1 7 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.227 -1.427 18032
3700 1 7 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.481 0.819 18032
3701 1 7 . 1 1 74 74 TYR H H 74 6.310 6.310 7.400 -1.090 18032
3702 1 7 . 1 1 75 75 PHE N N 75 108.000 108.000 116.149 -8.149 18032
3703 1 7 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.509 0.151 18032
3704 1 7 . 1 1 75 75 PHE C C 75 177.900 177.900 174.968 2.932 18032
3705 1 7 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.929 -2.529 18032
3706 1 7 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.844 -0.144 18032
3707 1 7 . 1 1 75 75 PHE H H 75 7.760 7.760 8.204 -0.444 18032
3708 1 7 . 1 1 76 76 VAL N N 76 120.700 120.700 121.110 -0.410 18032
3709 1 7 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.428 0.343 18032
3710 1 7 . 1 1 76 76 VAL C C 76 180.000 180.000 176.703 3.297 18032
3711 1 7 . 1 1 76 76 VAL CA C 76 62.900 62.900 62.267 0.633 18032
3712 1 7 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.780 -0.580 18032
3713 1 7 . 1 1 76 76 VAL H H 76 7.010 7.010 7.457 -0.447 18032
3714 1 7 . 1 1 77 77 LEU N N 77 131.600 131.600 129.119 2.481 18032
3715 1 7 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.124 -0.094 18032
3716 1 7 . 1 1 77 77 LEU C C 77 179.000 179.000 178.989 0.011 18032
3717 1 7 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.223 0.877 18032
3718 1 7 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.826 0.174 18032
3719 1 7 . 1 1 77 77 LEU H H 77 8.860 8.860 8.551 0.309 18032
3720 1 7 . 1 1 78 78 LYS N N 78 116.700 116.700 119.241 -2.541 18032
3721 1 7 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.965 0.245 18032
3722 1 7 . 1 1 78 78 LYS C C 78 178.000 178.000 178.721 -0.721 18032
3723 1 7 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.070 0.030 18032
3724 1 7 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.644 -0.544 18032
3725 1 7 . 1 1 78 78 LYS H H 78 9.540 9.540 8.422 1.118 18032
3726 1 7 . 1 1 79 79 ASN N N 79 121.500 121.500 119.883 1.617 18032
3727 1 7 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.451 0.199 18032
3728 1 7 . 1 1 79 79 ASN C C 79 176.200 176.200 177.405 -1.205 18032
3729 1 7 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.653 -1.053 18032
3730 1 7 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.930 -0.730 18032
3731 1 7 . 1 1 79 79 ASN H H 79 7.340 7.340 7.828 -0.488 18032
3732 1 7 . 1 1 80 80 LEU N N 80 124.300 124.300 121.659 2.641 18032
3733 1 7 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.012 0.018 18032
3734 1 7 . 1 1 80 80 LEU C C 80 178.700 178.700 178.108 0.592 18032
3735 1 7 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.087 0.713 18032
3736 1 7 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.575 -0.775 18032
3737 1 7 . 1 1 80 80 LEU H H 80 8.260 8.260 8.398 -0.138 18032
3738 1 7 . 1 1 81 81 ALA N N 81 118.100 118.100 120.957 -2.857 18032
3739 1 7 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.892 -0.022 18032
3740 1 7 . 1 1 81 81 ALA C C 81 177.600 177.600 178.991 -1.391 18032
3741 1 7 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.194 0.007 18032
3742 1 7 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.015 -0.715 18032
3743 1 7 . 1 1 81 81 ALA H H 81 8.580 8.580 7.814 0.766 18032
3744 1 7 . 1 1 82 82 ALA N N 82 119.800 119.800 120.461 -0.661 18032
3745 1 7 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.048 0.162 18032
3746 1 7 . 1 1 82 82 ALA C C 82 180.700 180.700 179.876 0.824 18032
3747 1 7 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.806 0.594 18032
3748 1 7 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.191 -0.291 18032
3749 1 7 . 1 1 82 82 ALA H H 82 7.230 7.230 7.561 -0.331 18032
3750 1 7 . 1 1 83 83 ARG N N 83 118.300 118.300 119.092 -0.792 18032
3751 1 7 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.327 0.013 18032
3752 1 7 . 1 1 83 83 ARG C C 83 180.500 180.500 179.208 1.292 18032
3753 1 7 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.722 -0.222 18032
3754 1 7 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.956 1.944 18032
3755 1 7 . 1 1 83 83 ARG H H 83 8.510 8.510 7.999 0.511 18032
3756 1 7 . 1 1 84 84 ILE N N 84 121.300 121.300 120.126 1.174 18032
3757 1 7 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.544 -0.164 18032
3758 1 7 . 1 1 84 84 ILE C C 84 177.300 177.300 177.616 -0.316 18032
3759 1 7 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.275 0.925 18032
3760 1 7 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.268 0.432 18032
3761 1 7 . 1 1 84 84 ILE H H 84 8.340 8.340 8.129 0.211 18032
3762 1 7 . 1 1 85 85 ASP N N 85 120.200 120.200 119.682 0.518 18032
3763 1 7 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.205 0.205 18032
3764 1 7 . 1 1 85 85 ASP C C 85 180.200 180.200 178.207 1.993 18032
3765 1 7 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.822 0.178 18032
3766 1 7 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.962 -1.462 18032
3767 1 7 . 1 1 85 85 ASP H H 85 8.330 8.330 7.979 0.351 18032
3768 1 7 . 1 1 86 86 GLU N N 86 121.100 121.100 118.385 2.715 18032
3769 1 7 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.036 0.084 18032
3770 1 7 . 1 1 86 86 GLU C C 86 179.800 179.800 178.961 0.839 18032
3771 1 7 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.978 0.322 18032
3772 1 7 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.414 0.086 18032
3773 1 7 . 1 1 86 86 GLU H H 86 8.060 8.060 8.013 0.047 18032
3774 1 7 . 1 1 87 87 LEU N N 87 122.700 122.700 120.494 2.206 18032
3775 1 7 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.134 0.066 18032
3776 1 7 . 1 1 87 87 LEU C C 87 180.500 180.500 179.116 1.384 18032
3777 1 7 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.273 0.927 18032
3778 1 7 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.984 0.116 18032
3779 1 7 . 1 1 87 87 LEU H H 87 8.090 8.090 7.500 0.590 18032
3780 1 7 . 1 1 88 88 VAL N N 88 122.800 122.800 119.444 3.356 18032
3781 1 7 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.646 -0.106 18032
3782 1 7 . 1 1 88 88 VAL C C 88 179.200 179.200 177.990 1.210 18032
3783 1 7 . 1 1 88 88 VAL CA C 88 66.800 66.800 65.829 0.971 18032
3784 1 7 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.812 1.488 18032
3785 1 7 . 1 1 88 88 VAL H H 88 9.030 9.030 7.953 1.077 18032
3786 1 7 . 1 1 89 89 ALA N N 89 122.900 122.900 121.590 1.310 18032
3787 1 7 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.057 0.163 18032
3788 1 7 . 1 1 89 89 ALA C C 89 180.000 180.000 179.195 0.805 18032
3789 1 7 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.785 -0.085 18032
3790 1 7 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.181 -0.181 18032
3791 1 7 . 1 1 89 89 ALA H H 89 8.170 8.170 7.832 0.338 18032
3792 1 7 . 1 1 90 90 ALA N N 90 120.100 120.100 120.111 -0.011 18032
3793 1 7 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.052 0.218 18032
3794 1 7 . 1 1 90 90 ALA C C 90 179.200 179.200 178.188 1.012 18032
3795 1 7 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.349 -0.449 18032
3796 1 7 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.554 -0.054 18032
3797 1 7 . 1 1 90 90 ALA H H 90 7.820 7.820 7.693 0.127 18032
3798 1 7 . 1 1 91 91 LYS N N 91 118.900 118.900 117.041 1.859 18032
3799 1 7 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.150 0.040 18032
3800 1 7 . 1 1 91 91 LYS C C 91 178.400 178.400 177.265 1.135 18032
3801 1 7 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.397 1.103 18032
3802 1 7 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.997 -0.597 18032
3803 1 7 . 1 1 91 91 LYS H H 91 7.660 7.660 7.632 0.028 18032
3804 1 7 . 1 1 92 92 GLY N N 92 107.200 107.200 106.974 0.226 18032
3805 1 7 . 1 1 92 92 GLY C C 92 174.700 174.700 174.080 0.620 18032
3806 1 7 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.231 0.769 18032
3807 1 7 . 1 1 92 92 GLY H H 92 8.090 8.090 7.375 0.715 18032
3808 1 7 . 1 1 93 93 ALA N N 93 123.300 123.300 121.788 1.512 18032
3809 1 7 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.412 -0.092 18032
3810 1 7 . 1 1 93 93 ALA C C 93 178.300 178.300 175.177 3.123 18032
3811 1 7 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.244 0.856 18032
3812 1 7 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.122 -1.122 18032
3813 1 7 . 1 1 93 93 ALA H H 93 7.900 7.900 7.910 -0.010 18032
3814 1 7 . 1 1 94 94 LEU N N 94 119.800 119.800 121.840 -2.040 18032
3815 1 7 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.601 -0.311 18032
3816 1 7 . 1 1 94 94 LEU C C 94 177.900 177.900 176.393 1.507 18032
3817 1 7 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.121 1.779 18032
3818 1 7 . 1 1 94 94 LEU CB C 94 42.300 42.300 42.562 -0.262 18032
3819 1 7 . 1 1 94 94 LEU H H 94 7.940 7.940 8.622 -0.682 18032
3820 1 7 . 1 1 95 95 GLU N N 95 120.100 120.100 121.081 -0.981 18032
3821 1 7 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.536 -0.346 18032
3822 1 7 . 1 1 95 95 GLU C C 95 176.500 176.500 176.238 0.262 18032
3823 1 7 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.288 0.612 18032
3824 1 7 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.411 0.789 18032
3825 1 7 . 1 1 95 95 GLU H H 95 8.130 8.130 8.492 -0.362 18032
3826 1 7 . 1 1 96 96 HIS N N 96 119.200 119.200 120.157 -0.957 18032
3827 1 7 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.018 0.282 18032
3828 1 7 . 1 1 96 96 HIS CB C 96 30.300 30.300 29.591 0.709 18032
3829 1 7 . 1 1 96 96 HIS H H 96 8.160 8.160 8.925 -0.765 18032
3830 1 8 . 1 1 2 2 THR HA H 2 4.580 4.580 4.381 0.199 18032
3831 1 8 . 1 1 2 2 THR C C 2 174.500 174.500 174.153 0.347 18032
3832 1 8 . 1 1 2 2 THR CA C 2 61.700 61.700 62.468 -0.768 18032
3833 1 8 . 1 1 2 2 THR CB C 2 70.400 70.400 68.250 2.150 18032
3834 1 8 . 1 1 3 3 SER N N 3 120.600 120.600 121.754 -1.154 18032
3835 1 8 . 1 1 3 3 SER HA H 3 4.770 4.770 4.706 0.064 18032
3836 1 8 . 1 1 3 3 SER C C 3 175.100 175.100 175.198 -0.098 18032
3837 1 8 . 1 1 3 3 SER CA C 3 58.300 58.300 57.153 1.147 18032
3838 1 8 . 1 1 3 3 SER CB C 3 65.000 65.000 62.392 2.608 18032
3839 1 8 . 1 1 3 3 SER H H 3 9.090 9.090 8.322 0.768 18032
3840 1 8 . 1 1 4 4 THR N N 4 120.500 120.500 121.882 -1.382 18032
3841 1 8 . 1 1 4 4 THR HA H 4 4.230 4.230 4.281 -0.051 18032
3842 1 8 . 1 1 4 4 THR C C 4 176.200 176.200 175.780 0.420 18032
3843 1 8 . 1 1 4 4 THR CA C 4 67.700 67.700 66.781 0.918 18032
3844 1 8 . 1 1 4 4 THR CB C 4 67.500 67.500 68.866 -1.366 18032
3845 1 8 . 1 1 4 4 THR H H 4 8.890 8.890 7.919 0.971 18032
3846 1 8 . 1 1 5 5 PHE N N 5 121.100 121.100 121.990 -0.890 18032
3847 1 8 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.230 -0.430 18032
3848 1 8 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.791 1.909 18032
3849 1 8 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.549 0.151 18032
3850 1 8 . 1 1 5 5 PHE H H 5 9.110 9.110 8.474 0.636 18032
3851 1 8 . 1 1 6 6 ASP N N 6 119.800 119.800 118.978 0.822 18032
3852 1 8 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.026 -0.186 18032
3853 1 8 . 1 1 6 6 ASP C C 6 179.200 179.200 178.791 0.409 18032
3854 1 8 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.832 0.068 18032
3855 1 8 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.578 0.322 18032
3856 1 8 . 1 1 6 6 ASP H H 6 8.120 8.120 8.422 -0.302 18032
3857 1 8 . 1 1 7 7 ARG N N 7 119.200 119.200 119.021 0.179 18032
3858 1 8 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.011 0.059 18032
3859 1 8 . 1 1 7 7 ARG C C 7 179.400 179.400 178.865 0.535 18032
3860 1 8 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.500 0.800 18032
3861 1 8 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.773 1.327 18032
3862 1 8 . 1 1 7 7 ARG H H 7 8.020 8.020 7.859 0.161 18032
3863 1 8 . 1 1 8 8 VAL N N 8 120.600 120.600 119.721 0.879 18032
3864 1 8 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.806 -0.296 18032
3865 1 8 . 1 1 8 8 VAL C C 8 176.800 176.800 178.086 -1.286 18032
3866 1 8 . 1 1 8 8 VAL CA C 8 67.000 67.000 65.867 1.133 18032
3867 1 8 . 1 1 8 8 VAL CB C 8 31.600 31.600 30.758 0.842 18032
3868 1 8 . 1 1 8 8 VAL H H 8 8.520 8.520 8.325 0.195 18032
3869 1 8 . 1 1 9 9 ALA N N 9 122.800 122.800 122.724 0.076 18032
3870 1 8 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.824 -0.153 18032
3871 1 8 . 1 1 9 9 ALA C C 9 179.000 179.000 179.459 -0.459 18032
3872 1 8 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.377 0.423 18032
3873 1 8 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.833 -0.633 18032
3874 1 8 . 1 1 9 9 ALA H H 9 8.920 8.920 8.361 0.559 18032
3875 1 8 . 1 1 10 10 THR N N 10 114.300 114.300 115.669 -1.369 18032
3876 1 8 . 1 1 10 10 THR HA H 10 3.800 3.800 4.018 -0.218 18032
3877 1 8 . 1 1 10 10 THR C C 10 175.500 175.500 176.609 -1.109 18032
3878 1 8 . 1 1 10 10 THR CA C 10 67.400 67.400 66.966 0.434 18032
3879 1 8 . 1 1 10 10 THR CB C 10 68.900 68.900 68.448 0.452 18032
3880 1 8 . 1 1 10 10 THR H H 10 7.790 7.790 7.758 0.032 18032
3881 1 8 . 1 1 11 11 ILE N N 11 122.100 122.100 122.385 -0.285 18032
3882 1 8 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.642 0.238 18032
3883 1 8 . 1 1 11 11 ILE C C 11 179.700 179.700 178.043 1.657 18032
3884 1 8 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.828 -0.328 18032
3885 1 8 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.713 0.887 18032
3886 1 8 . 1 1 11 11 ILE H H 11 7.760 7.760 7.993 -0.233 18032
3887 1 8 . 1 1 12 12 ILE N N 12 123.100 123.100 119.461 3.639 18032
3888 1 8 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.680 -0.270 18032
3889 1 8 . 1 1 12 12 ILE C C 12 176.800 176.800 177.902 -1.102 18032
3890 1 8 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.145 1.855 18032
3891 1 8 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.573 0.327 18032
3892 1 8 . 1 1 12 12 ILE H H 12 8.750 8.750 7.981 0.769 18032
3893 1 8 . 1 1 13 13 ALA N N 13 122.600 122.600 123.052 -0.452 18032
3894 1 8 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.308 -0.028 18032
3895 1 8 . 1 1 13 13 ALA C C 13 180.700 180.700 179.702 0.998 18032
3896 1 8 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.163 0.537 18032
3897 1 8 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.339 0.261 18032
3898 1 8 . 1 1 13 13 ALA H H 13 8.430 8.430 8.075 0.355 18032
3899 1 8 . 1 1 14 14 GLU N N 14 114.500 114.500 116.289 -1.789 18032
3900 1 8 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.159 0.031 18032
3901 1 8 . 1 1 14 14 GLU C C 14 179.100 179.100 179.101 -0.001 18032
3902 1 8 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.324 0.076 18032
3903 1 8 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.477 0.523 18032
3904 1 8 . 1 1 14 14 GLU H H 14 8.290 8.290 8.143 0.147 18032
3905 1 8 . 1 1 15 15 THR N N 15 115.500 115.500 114.855 0.645 18032
3906 1 8 . 1 1 15 15 THR HA H 15 4.080 4.080 4.157 -0.076 18032
3907 1 8 . 1 1 15 15 THR C C 15 176.200 176.200 176.076 0.124 18032
3908 1 8 . 1 1 15 15 THR CA C 15 66.500 66.500 65.127 1.373 18032
3909 1 8 . 1 1 15 15 THR CB C 15 69.400 69.400 69.648 -0.248 18032
3910 1 8 . 1 1 15 15 THR H H 15 8.390 8.390 8.291 0.099 18032
3911 1 8 . 1 1 16 16 CYS N N 16 116.000 116.000 117.582 -1.582 18032
3912 1 8 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.670 -0.100 18032
3913 1 8 . 1 1 16 16 CYS C C 16 173.700 173.700 173.301 0.399 18032
3914 1 8 . 1 1 16 16 CYS CA C 16 59.200 59.200 57.783 1.417 18032
3915 1 8 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.162 1.438 18032
3916 1 8 . 1 1 16 16 CYS H H 16 8.130 8.130 7.871 0.259 18032
3917 1 8 . 1 1 17 17 ASP N N 17 119.900 119.900 119.693 0.207 18032
3918 1 8 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.524 -0.114 18032
3919 1 8 . 1 1 17 17 ASP C C 17 174.700 174.700 174.876 -0.176 18032
3920 1 8 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.064 0.136 18032
3921 1 8 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.959 -1.058 18032
3922 1 8 . 1 1 17 17 ASP H H 17 7.740 7.740 7.947 -0.207 18032
3923 1 8 . 1 1 18 18 ILE N N 18 119.100 119.100 119.829 -0.729 18032
3924 1 8 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.524 0.066 18032
3925 1 8 . 1 1 18 18 ILE C C 18 179.400 179.400 174.216 5.184 18032
3926 1 8 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.966 0.834 18032
3927 1 8 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.161 3.839 18032
3928 1 8 . 1 1 18 18 ILE H H 18 7.410 7.410 7.464 -0.054 18032
3929 1 8 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.475 -0.105 18032
3930 1 8 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.162 -0.062 18032
3931 1 8 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.556 -0.457 18032
3932 1 8 . 1 1 20 20 ARG N N 20 129.100 129.100 125.172 3.928 18032
3933 1 8 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.939 -0.079 18032
3934 1 8 . 1 1 20 20 ARG C C 20 178.500 178.500 178.436 0.064 18032
3935 1 8 . 1 1 20 20 ARG CA C 20 58.800 58.800 58.959 -0.159 18032
3936 1 8 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.708 -0.208 18032
3937 1 8 . 1 1 20 20 ARG H H 20 9.150 9.150 8.815 0.335 18032
3938 1 8 . 1 1 21 21 GLU N N 21 117.300 117.300 117.257 0.043 18032
3939 1 8 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.175 0.125 18032
3940 1 8 . 1 1 21 21 GLU C C 21 177.200 177.200 177.301 -0.101 18032
3941 1 8 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.559 0.041 18032
3942 1 8 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.997 -0.497 18032
3943 1 8 . 1 1 21 21 GLU H H 21 9.820 9.820 8.719 1.101 18032
3944 1 8 . 1 1 22 22 THR N N 22 110.200 110.200 110.903 -0.703 18032
3945 1 8 . 1 1 22 22 THR HA H 22 4.340 4.340 4.406 -0.066 18032
3946 1 8 . 1 1 22 22 THR C C 22 173.000 173.000 173.765 -0.765 18032
3947 1 8 . 1 1 22 22 THR CA C 22 62.300 62.300 61.865 0.435 18032
3948 1 8 . 1 1 22 22 THR CB C 22 70.000 70.000 69.107 0.893 18032
3949 1 8 . 1 1 22 22 THR H H 22 7.780 7.780 7.676 0.104 18032
3950 1 8 . 1 1 23 23 ILE N N 23 122.600 122.600 125.320 -2.720 18032
3951 1 8 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.401 -0.401 18032
3952 1 8 . 1 1 23 23 ILE C C 23 174.700 174.700 174.844 -0.144 18032
3953 1 8 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.841 1.759 18032
3954 1 8 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.199 1.301 18032
3955 1 8 . 1 1 23 23 ILE H H 23 7.590 7.590 7.398 0.192 18032
3956 1 8 . 1 1 24 24 THR N N 24 118.600 118.600 118.466 0.134 18032
3957 1 8 . 1 1 24 24 THR HA H 24 5.290 5.290 5.080 0.210 18032
3958 1 8 . 1 1 24 24 THR CA C 24 59.000 59.000 58.698 0.302 18032
3959 1 8 . 1 1 24 24 THR CB C 24 69.800 69.800 69.796 0.004 18032
3960 1 8 . 1 1 24 24 THR H H 24 8.580 8.580 8.466 0.114 18032
3961 1 8 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.804 -0.034 18032
3962 1 8 . 1 1 25 25 PRO C C 25 176.200 176.200 177.315 -1.115 18032
3963 1 8 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.823 0.077 18032
3964 1 8 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.258 0.542 18032
3965 1 8 . 1 1 26 26 GLU N N 26 110.900 110.900 111.686 -0.786 18032
3966 1 8 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.326 -0.156 18032
3967 1 8 . 1 1 26 26 GLU C C 26 176.900 176.900 176.099 0.801 18032
3968 1 8 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.361 0.939 18032
3969 1 8 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.369 0.131 18032
3970 1 8 . 1 1 26 26 GLU H H 26 7.380 7.380 8.372 -0.992 18032
3971 1 8 . 1 1 27 27 SER N N 27 118.100 118.100 117.784 0.316 18032
3972 1 8 . 1 1 27 27 SER HA H 27 4.300 4.300 4.585 -0.285 18032
3973 1 8 . 1 1 27 27 SER C C 27 172.100 172.100 173.634 -1.534 18032
3974 1 8 . 1 1 27 27 SER CA C 27 61.000 61.000 59.090 1.910 18032
3975 1 8 . 1 1 27 27 SER CB C 27 64.200 64.200 64.347 -0.147 18032
3976 1 8 . 1 1 27 27 SER H H 27 8.040 8.040 7.580 0.460 18032
3977 1 8 . 1 1 28 28 HIS N N 28 128.200 128.200 124.843 3.357 18032
3978 1 8 . 1 1 28 28 HIS HA H 28 4.740 4.740 5.075 -0.335 18032
3979 1 8 . 1 1 28 28 HIS C C 28 178.200 178.200 176.075 2.125 18032
3980 1 8 . 1 1 28 28 HIS CA C 28 56.300 56.300 55.986 0.314 18032
3981 1 8 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.606 0.994 18032
3982 1 8 . 1 1 28 28 HIS H H 28 10.680 10.680 8.806 1.874 18032
3983 1 8 . 1 1 29 29 ALA N N 29 130.100 130.100 131.832 -1.732 18032
3984 1 8 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.147 -0.197 18032
3985 1 8 . 1 1 29 29 ALA C C 29 175.700 175.700 178.792 -3.092 18032
3986 1 8 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.852 0.048 18032
3987 1 8 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.154 -0.354 18032
3988 1 8 . 1 1 29 29 ALA H H 29 9.270 9.270 8.852 0.418 18032
3989 1 8 . 1 1 30 30 ILE N N 30 113.300 113.300 116.434 -3.134 18032
3990 1 8 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.287 -0.077 18032
3991 1 8 . 1 1 30 30 ILE C C 30 177.200 177.200 177.927 -0.727 18032
3992 1 8 . 1 1 30 30 ILE CA C 30 62.900 62.900 64.363 -1.463 18032
3993 1 8 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.398 0.702 18032
3994 1 8 . 1 1 30 30 ILE H H 30 8.540 8.540 7.712 0.828 18032
3995 1 8 . 1 1 31 31 ASP N N 31 120.600 120.600 118.795 1.805 18032
3996 1 8 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.511 -0.331 18032
3997 1 8 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.485 0.015 18032
3998 1 8 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.231 -1.231 18032
3999 1 8 . 1 1 31 31 ASP H H 31 8.480 8.480 8.292 0.188 18032
4000 1 8 . 1 1 32 32 ASP N N 32 114.200 114.200 119.736 -5.536 18032
4001 1 8 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.699 0.361 18032
4002 1 8 . 1 1 32 32 ASP C C 32 177.500 177.500 178.147 -0.647 18032
4003 1 8 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.513 0.487 18032
4004 1 8 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.190 0.010 18032
4005 1 8 . 1 1 32 32 ASP H H 32 8.450 8.450 7.953 0.497 18032
4006 1 8 . 1 1 33 33 LEU N N 33 114.000 114.000 119.747 -5.747 18032
4007 1 8 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.375 0.095 18032
4008 1 8 . 1 1 33 33 LEU C C 33 177.400 177.400 177.012 0.388 18032
4009 1 8 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.436 -0.536 18032
4010 1 8 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.470 -1.270 18032
4011 1 8 . 1 1 33 33 LEU H H 33 7.230 7.230 8.125 -0.895 18032
4012 1 8 . 1 1 34 34 GLY N N 34 107.000 107.000 106.743 0.257 18032
4013 1 8 . 1 1 34 34 GLY C C 34 174.500 174.500 174.182 0.318 18032
4014 1 8 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.064 1.836 18032
4015 1 8 . 1 1 34 34 GLY H H 34 7.330 7.330 7.805 -0.475 18032
4016 1 8 . 1 1 35 35 ILE N N 35 120.700 120.700 120.477 0.223 18032
4017 1 8 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.296 -0.186 18032
4018 1 8 . 1 1 35 35 ILE C C 35 175.300 175.300 174.705 0.595 18032
4019 1 8 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.008 1.992 18032
4020 1 8 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.910 -2.010 18032
4021 1 8 . 1 1 35 35 ILE H H 35 7.820 7.820 7.828 -0.008 18032
4022 1 8 . 1 1 36 36 ASP N N 36 126.800 126.800 127.693 -0.893 18032
4023 1 8 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.664 0.176 18032
4024 1 8 . 1 1 36 36 ASP C C 36 177.100 177.100 177.459 -0.359 18032
4025 1 8 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.654 -1.054 18032
4026 1 8 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.143 -0.643 18032
4027 1 8 . 1 1 36 36 ASP H H 36 8.780 8.780 8.267 0.513 18032
4028 1 8 . 1 1 37 37 SER N N 37 114.000 114.000 118.924 -4.924 18032
4029 1 8 . 1 1 37 37 SER HA H 37 4.170 4.170 4.472 -0.302 18032
4030 1 8 . 1 1 37 37 SER C C 37 175.700 175.700 176.708 -1.008 18032
4031 1 8 . 1 1 37 37 SER CA C 37 60.700 60.700 61.327 -0.627 18032
4032 1 8 . 1 1 37 37 SER CB C 37 65.800 65.800 63.051 2.749 18032
4033 1 8 . 1 1 37 37 SER H H 37 8.750 8.750 8.585 0.166 18032
4034 1 8 . 1 1 38 38 LEU N N 38 123.200 123.200 121.227 1.973 18032
4035 1 8 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.055 0.165 18032
4036 1 8 . 1 1 38 38 LEU C C 38 180.200 180.200 178.776 1.424 18032
4037 1 8 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.932 -0.132 18032
4038 1 8 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.466 -0.466 18032
4039 1 8 . 1 1 38 38 LEU H H 38 8.030 8.030 8.076 -0.046 18032
4040 1 8 . 1 1 39 39 ASP N N 39 121.500 121.500 119.199 2.301 18032
4041 1 8 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.685 -0.245 18032
4042 1 8 . 1 1 39 39 ASP C C 39 179.000 179.000 179.106 -0.106 18032
4043 1 8 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.304 -0.104 18032
4044 1 8 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.646 0.554 18032
4045 1 8 . 1 1 39 39 ASP H H 39 8.390 8.390 7.755 0.635 18032
4046 1 8 . 1 1 40 40 PHE N N 40 118.900 118.900 121.373 -2.473 18032
4047 1 8 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.427 -0.377 18032
4048 1 8 . 1 1 40 40 PHE C C 40 177.500 177.500 177.269 0.231 18032
4049 1 8 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.730 1.070 18032
4050 1 8 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.529 -1.129 18032
4051 1 8 . 1 1 40 40 PHE H H 40 8.640 8.640 8.150 0.490 18032
4052 1 8 . 1 1 41 41 LEU N N 41 118.800 118.800 120.610 -1.810 18032
4053 1 8 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.901 0.079 18032
4054 1 8 . 1 1 41 41 LEU C C 41 179.300 179.300 178.730 0.570 18032
4055 1 8 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.289 0.111 18032
4056 1 8 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.328 -0.327 18032
4057 1 8 . 1 1 41 41 LEU H H 41 7.660 7.660 8.403 -0.743 18032
4058 1 8 . 1 1 42 42 ASP N N 42 119.700 119.700 119.953 -0.253 18032
4059 1 8 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.393 0.197 18032
4060 1 8 . 1 1 42 42 ASP C C 42 179.800 179.800 179.075 0.725 18032
4061 1 8 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.668 -0.068 18032
4062 1 8 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.618 -0.318 18032
4063 1 8 . 1 1 42 42 ASP H H 42 7.320 7.320 7.660 -0.340 18032
4064 1 8 . 1 1 43 43 ILE N N 43 122.700 122.700 120.306 2.394 18032
4065 1 8 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.705 -0.185 18032
4066 1 8 . 1 1 43 43 ILE C C 43 177.100 177.100 177.785 -0.685 18032
4067 1 8 . 1 1 43 43 ILE CA C 43 65.200 65.200 65.123 0.077 18032
4068 1 8 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.594 0.306 18032
4069 1 8 . 1 1 43 43 ILE H H 43 8.090 8.090 7.840 0.250 18032
4070 1 8 . 1 1 44 44 ALA N N 44 122.600 122.600 122.266 0.334 18032
4071 1 8 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.954 -0.094 18032
4072 1 8 . 1 1 44 44 ALA C C 44 178.500 178.500 179.773 -1.273 18032
4073 1 8 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.782 0.918 18032
4074 1 8 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.907 0.393 18032
4075 1 8 . 1 1 44 44 ALA H H 44 8.830 8.830 7.596 1.234 18032
4076 1 8 . 1 1 45 45 PHE N N 45 117.300 117.300 118.764 -1.464 18032
4077 1 8 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.101 0.399 18032
4078 1 8 . 1 1 45 45 PHE C C 45 178.300 178.300 177.536 0.764 18032
4079 1 8 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.972 -1.372 18032
4080 1 8 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.996 -0.296 18032
4081 1 8 . 1 1 45 45 PHE H H 45 8.090 8.090 8.270 -0.180 18032
4082 1 8 . 1 1 46 46 ALA N N 46 121.600 121.600 123.145 -1.545 18032
4083 1 8 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.122 0.048 18032
4084 1 8 . 1 1 46 46 ALA C C 46 181.400 181.400 179.653 1.747 18032
4085 1 8 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.111 -0.111 18032
4086 1 8 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.073 1.127 18032
4087 1 8 . 1 1 46 46 ALA H H 46 7.780 7.780 7.967 -0.187 18032
4088 1 8 . 1 1 47 47 ILE N N 47 122.900 122.900 118.907 3.993 18032
4089 1 8 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.833 -0.053 18032
4090 1 8 . 1 1 47 47 ILE C C 47 177.000 177.000 177.466 -0.466 18032
4091 1 8 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.758 0.242 18032
4092 1 8 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.638 0.362 18032
4093 1 8 . 1 1 47 47 ILE H H 47 8.960 8.960 8.265 0.695 18032
4094 1 8 . 1 1 48 48 ASP N N 48 123.900 123.900 120.736 3.164 18032
4095 1 8 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.309 0.061 18032
4096 1 8 . 1 1 48 48 ASP C C 48 180.200 180.200 178.451 1.749 18032
4097 1 8 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.587 0.113 18032
4098 1 8 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.787 -0.487 18032
4099 1 8 . 1 1 48 48 ASP H H 48 8.950 8.950 7.952 0.998 18032
4100 1 8 . 1 1 49 49 LYS N N 49 117.500 117.500 118.751 -1.251 18032
4101 1 8 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.067 -0.047 18032
4102 1 8 . 1 1 49 49 LYS C C 49 178.800 178.800 179.134 -0.334 18032
4103 1 8 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.723 -0.123 18032
4104 1 8 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.595 0.005 18032
4105 1 8 . 1 1 49 49 LYS H H 49 7.590 7.590 7.742 -0.152 18032
4106 1 8 . 1 1 50 50 ALA N N 50 121.100 121.100 121.854 -0.754 18032
4107 1 8 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.111 -0.081 18032
4108 1 8 . 1 1 50 50 ALA C C 50 179.400 179.400 179.443 -0.043 18032
4109 1 8 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.564 0.036 18032
4110 1 8 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.591 0.509 18032
4111 1 8 . 1 1 50 50 ALA H H 50 8.180 8.180 7.731 0.449 18032
4112 1 8 . 1 1 51 51 PHE N N 51 111.600 111.600 115.299 -3.699 18032
4113 1 8 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.451 0.089 18032
4114 1 8 . 1 1 51 51 PHE C C 51 176.200 176.200 176.469 -0.269 18032
4115 1 8 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.923 -0.523 18032
4116 1 8 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.345 1.155 18032
4117 1 8 . 1 1 51 51 PHE H H 51 8.620 8.620 8.040 0.580 18032
4118 1 8 . 1 1 52 52 GLY N N 52 112.100 112.100 107.671 4.429 18032
4119 1 8 . 1 1 52 52 GLY C C 52 174.900 174.900 174.037 0.863 18032
4120 1 8 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.643 1.857 18032
4121 1 8 . 1 1 52 52 GLY H H 52 8.140 8.140 7.860 0.280 18032
4122 1 8 . 1 1 53 53 ILE N N 53 111.000 111.000 113.994 -2.994 18032
4123 1 8 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.441 0.229 18032
4124 1 8 . 1 1 53 53 ILE C C 53 173.500 173.500 174.258 -0.758 18032
4125 1 8 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.654 -0.054 18032
4126 1 8 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.718 3.182 18032
4127 1 8 . 1 1 53 53 ILE H H 53 7.520 7.520 7.286 0.234 18032
4128 1 8 . 1 1 54 54 LYS N N 54 119.600 119.600 121.483 -1.883 18032
4129 1 8 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.574 0.036 18032
4130 1 8 . 1 1 54 54 LYS C C 54 175.900 175.900 175.089 0.811 18032
4131 1 8 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.385 -1.085 18032
4132 1 8 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.404 -0.404 18032
4133 1 8 . 1 1 54 54 LYS H H 54 7.940 7.940 8.176 -0.236 18032
4134 1 8 . 1 1 55 55 LEU N N 55 130.800 130.800 127.128 3.672 18032
4135 1 8 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.454 -0.604 18032
4136 1 8 . 1 1 55 55 LEU CA C 55 53.300 53.300 51.633 1.667 18032
4137 1 8 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.871 0.129 18032
4138 1 8 . 1 1 55 55 LEU H H 55 10.700 10.700 8.372 2.328 18032
4139 1 8 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.159 0.441 18032
4140 1 8 . 1 1 56 56 PRO C C 56 174.600 174.600 175.840 -1.240 18032
4141 1 8 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.776 -0.276 18032
4142 1 8 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.843 -2.343 18032
4143 1 8 . 1 1 57 57 LEU N N 57 121.300 121.300 121.698 -0.398 18032
4144 1 8 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.481 -0.071 18032
4145 1 8 . 1 1 57 57 LEU C C 57 179.100 179.100 177.848 1.252 18032
4146 1 8 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.794 0.406 18032
4147 1 8 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.555 0.545 18032
4148 1 8 . 1 1 57 57 LEU H H 57 7.490 7.490 7.511 -0.021 18032
4149 1 8 . 1 1 58 58 GLU N N 58 119.200 119.200 118.967 0.233 18032
4150 1 8 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.936 0.044 18032
4151 1 8 . 1 1 58 58 GLU C C 58 178.500 178.500 178.416 0.084 18032
4152 1 8 . 1 1 58 58 GLU CA C 58 59.900 59.900 60.202 -0.302 18032
4153 1 8 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.500 0.200 18032
4154 1 8 . 1 1 58 58 GLU H H 58 8.860 8.860 8.460 0.400 18032
4155 1 8 . 1 1 59 59 LYS N N 59 122.100 122.100 119.909 2.191 18032
4156 1 8 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.009 0.091 18032
4157 1 8 . 1 1 59 59 LYS C C 59 178.700 178.700 178.869 -0.169 18032
4158 1 8 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.207 -0.307 18032
4159 1 8 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.045 0.155 18032
4160 1 8 . 1 1 59 59 LYS H H 59 7.420 7.420 7.908 -0.488 18032
4161 1 8 . 1 1 60 60 TRP N N 60 120.000 120.000 117.731 2.269 18032
4162 1 8 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.632 -0.432 18032
4163 1 8 . 1 1 60 60 TRP C C 60 178.300 178.300 179.548 -1.248 18032
4164 1 8 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.527 0.173 18032
4165 1 8 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.819 0.781 18032
4166 1 8 . 1 1 60 60 TRP H H 60 8.140 8.140 7.760 0.380 18032
4167 1 8 . 1 1 61 61 THR N N 61 113.200 113.200 116.532 -3.332 18032
4168 1 8 . 1 1 61 61 THR HA H 61 3.870 3.870 4.103 -0.233 18032
4169 1 8 . 1 1 61 61 THR C C 61 176.300 176.300 177.037 -0.737 18032
4170 1 8 . 1 1 61 61 THR CA C 61 67.100 67.100 67.626 -0.526 18032
4171 1 8 . 1 1 61 61 THR CB C 61 68.900 68.900 68.503 0.397 18032
4172 1 8 . 1 1 61 61 THR H H 61 8.390 8.390 8.272 0.118 18032
4173 1 8 . 1 1 62 62 GLN N N 62 122.300 122.300 120.506 1.794 18032
4174 1 8 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.070 -0.030 18032
4175 1 8 . 1 1 62 62 GLN C C 62 177.900 177.900 178.540 -0.640 18032
4176 1 8 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.258 -0.258 18032
4177 1 8 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.608 -0.508 18032
4178 1 8 . 1 1 62 62 GLN H H 62 7.810 7.810 7.752 0.058 18032
4179 1 8 . 1 1 63 63 GLU N N 63 119.000 119.000 120.579 -1.579 18032
4180 1 8 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.093 -0.023 18032
4181 1 8 . 1 1 63 63 GLU C C 63 180.000 180.000 179.518 0.482 18032
4182 1 8 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.589 0.611 18032
4183 1 8 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.756 0.644 18032
4184 1 8 . 1 1 63 63 GLU H H 63 8.410 8.410 8.003 0.407 18032
4185 1 8 . 1 1 64 64 VAL N N 64 119.600 119.600 120.632 -1.032 18032
4186 1 8 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.946 0.174 18032
4187 1 8 . 1 1 64 64 VAL C C 64 180.600 180.600 178.612 1.988 18032
4188 1 8 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.469 -1.069 18032
4189 1 8 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.820 0.080 18032
4190 1 8 . 1 1 64 64 VAL H H 64 8.170 8.170 8.057 0.113 18032
4191 1 8 . 1 1 65 65 ASN N N 65 121.700 121.700 118.824 2.876 18032
4192 1 8 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.495 0.015 18032
4193 1 8 . 1 1 65 65 ASN C C 65 177.300 177.300 176.689 0.611 18032
4194 1 8 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.866 0.434 18032
4195 1 8 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.149 -0.049 18032
4196 1 8 . 1 1 65 65 ASN H H 65 8.550 8.550 8.141 0.409 18032
4197 1 8 . 1 1 66 66 ASP N N 66 118.000 118.000 117.456 0.544 18032
4198 1 8 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.767 0.003 18032
4199 1 8 . 1 1 66 66 ASP C C 66 177.000 177.000 176.947 0.053 18032
4200 1 8 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.364 1.436 18032
4201 1 8 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.032 0.268 18032
4202 1 8 . 1 1 66 66 ASP H H 66 8.470 8.470 7.852 0.618 18032
4203 1 8 . 1 1 67 67 GLY N N 67 108.600 108.600 107.809 0.791 18032
4204 1 8 . 1 1 67 67 GLY C C 67 174.800 174.800 175.918 -1.118 18032
4205 1 8 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.946 0.054 18032
4206 1 8 . 1 1 67 67 GLY H H 67 8.100 8.100 7.618 0.482 18032
4207 1 8 . 1 1 68 68 LYS N N 68 118.900 118.900 119.454 -0.554 18032
4208 1 8 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.306 0.004 18032
4209 1 8 . 1 1 68 68 LYS C C 68 175.100 175.100 176.495 -1.395 18032
4210 1 8 . 1 1 68 68 LYS CA C 68 56.400 56.400 56.857 -0.457 18032
4211 1 8 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.214 0.286 18032
4212 1 8 . 1 1 68 68 LYS H H 68 8.400 8.400 8.205 0.195 18032
4213 1 8 . 1 1 69 69 ALA N N 69 120.400 120.400 120.873 -0.473 18032
4214 1 8 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.850 -0.220 18032
4215 1 8 . 1 1 69 69 ALA C C 69 175.900 175.900 176.528 -0.628 18032
4216 1 8 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.692 -0.192 18032
4217 1 8 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.338 1.661 18032
4218 1 8 . 1 1 69 69 ALA H H 69 7.490 7.490 7.580 -0.090 18032
4219 1 8 . 1 1 70 70 THR N N 70 109.700 109.700 111.604 -1.904 18032
4220 1 8 . 1 1 70 70 THR HA H 70 4.750 4.750 4.674 0.076 18032
4221 1 8 . 1 1 70 70 THR C C 70 175.600 175.600 176.354 -0.754 18032
4222 1 8 . 1 1 70 70 THR CA C 70 59.600 59.600 60.556 -0.956 18032
4223 1 8 . 1 1 70 70 THR CB C 70 70.700 70.700 71.117 -0.417 18032
4224 1 8 . 1 1 70 70 THR H H 70 7.930 7.930 8.248 -0.318 18032
4225 1 8 . 1 1 71 71 THR N N 71 111.300 111.300 113.504 -2.204 18032
4226 1 8 . 1 1 71 71 THR HA H 71 4.110 4.110 4.091 0.019 18032
4227 1 8 . 1 1 71 71 THR C C 71 177.500 177.500 176.684 0.816 18032
4228 1 8 . 1 1 71 71 THR CA C 71 65.100 65.100 65.961 -0.861 18032
4229 1 8 . 1 1 71 71 THR CB C 71 68.900 68.900 68.651 0.249 18032
4230 1 8 . 1 1 71 71 THR H H 71 9.030 9.030 8.493 0.537 18032
4231 1 8 . 1 1 72 72 GLU N N 72 122.300 122.300 121.627 0.673 18032
4232 1 8 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.129 -0.269 18032
4233 1 8 . 1 1 72 72 GLU C C 72 177.500 177.500 179.068 -1.568 18032
4234 1 8 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.602 0.298 18032
4235 1 8 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.105 -0.105 18032
4236 1 8 . 1 1 72 72 GLU H H 72 8.830 8.830 8.758 0.071 18032
4237 1 8 . 1 1 73 73 GLN N N 73 116.900 116.900 117.669 -0.769 18032
4238 1 8 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.803 -0.173 18032
4239 1 8 . 1 1 73 73 GLN C C 73 174.000 174.000 177.500 -3.500 18032
4240 1 8 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.475 -0.475 18032
4241 1 8 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.609 -0.009 18032
4242 1 8 . 1 1 73 73 GLN H H 73 7.280 7.280 7.795 -0.515 18032
4243 1 8 . 1 1 74 74 TYR N N 74 112.700 112.700 112.791 -0.091 18032
4244 1 8 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.267 -0.187 18032
4245 1 8 . 1 1 74 74 TYR C C 74 173.900 173.900 176.064 -2.164 18032
4246 1 8 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.126 -1.326 18032
4247 1 8 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.875 0.425 18032
4248 1 8 . 1 1 74 74 TYR H H 74 6.310 6.310 7.571 -1.261 18032
4249 1 8 . 1 1 75 75 PHE N N 75 108.000 108.000 116.441 -8.441 18032
4250 1 8 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.491 0.169 18032
4251 1 8 . 1 1 75 75 PHE C C 75 177.900 177.900 174.222 3.678 18032
4252 1 8 . 1 1 75 75 PHE CA C 75 57.400 57.400 58.667 -1.267 18032
4253 1 8 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.627 0.073 18032
4254 1 8 . 1 1 75 75 PHE H H 75 7.760 7.760 7.967 -0.207 18032
4255 1 8 . 1 1 76 76 VAL N N 76 120.700 120.700 121.120 -0.420 18032
4256 1 8 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.580 0.190 18032
4257 1 8 . 1 1 76 76 VAL C C 76 180.000 180.000 176.636 3.364 18032
4258 1 8 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.765 1.135 18032
4259 1 8 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.184 -0.984 18032
4260 1 8 . 1 1 76 76 VAL H H 76 7.010 7.010 7.595 -0.585 18032
4261 1 8 . 1 1 77 77 LEU N N 77 131.600 131.600 129.277 2.323 18032
4262 1 8 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.066 -0.036 18032
4263 1 8 . 1 1 77 77 LEU C C 77 179.000 179.000 179.055 -0.055 18032
4264 1 8 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.796 0.304 18032
4265 1 8 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.992 0.008 18032
4266 1 8 . 1 1 77 77 LEU H H 77 8.860 8.860 8.377 0.483 18032
4267 1 8 . 1 1 78 78 LYS N N 78 116.700 116.700 118.510 -1.810 18032
4268 1 8 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.052 0.158 18032
4269 1 8 . 1 1 78 78 LYS C C 78 178.000 178.000 178.772 -0.772 18032
4270 1 8 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.166 -0.066 18032
4271 1 8 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.721 -0.621 18032
4272 1 8 . 1 1 78 78 LYS H H 78 9.540 9.540 8.493 1.047 18032
4273 1 8 . 1 1 79 79 ASN N N 79 121.500 121.500 119.900 1.600 18032
4274 1 8 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.417 0.233 18032
4275 1 8 . 1 1 79 79 ASN C C 79 176.200 176.200 177.511 -1.311 18032
4276 1 8 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.615 -1.015 18032
4277 1 8 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.852 -0.652 18032
4278 1 8 . 1 1 79 79 ASN H H 79 7.340 7.340 7.735 -0.395 18032
4279 1 8 . 1 1 80 80 LEU N N 80 124.300 124.300 121.654 2.646 18032
4280 1 8 . 1 1 80 80 LEU HA H 80 4.030 4.030 3.987 0.043 18032
4281 1 8 . 1 1 80 80 LEU C C 80 178.700 178.700 178.033 0.667 18032
4282 1 8 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.282 0.518 18032
4283 1 8 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.779 -0.980 18032
4284 1 8 . 1 1 80 80 LEU H H 80 8.260 8.260 8.414 -0.153 18032
4285 1 8 . 1 1 81 81 ALA N N 81 118.100 118.100 120.028 -1.928 18032
4286 1 8 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.914 -0.044 18032
4287 1 8 . 1 1 81 81 ALA C C 81 177.600 177.600 179.064 -1.464 18032
4288 1 8 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.729 0.471 18032
4289 1 8 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.048 -0.748 18032
4290 1 8 . 1 1 81 81 ALA H H 81 8.580 8.580 7.903 0.677 18032
4291 1 8 . 1 1 82 82 ALA N N 82 119.800 119.800 121.756 -1.956 18032
4292 1 8 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.017 0.193 18032
4293 1 8 . 1 1 82 82 ALA C C 82 180.700 180.700 179.658 1.042 18032
4294 1 8 . 1 1 82 82 ALA CA C 82 55.400 55.400 55.041 0.359 18032
4295 1 8 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.173 -0.273 18032
4296 1 8 . 1 1 82 82 ALA H H 82 7.230 7.230 7.802 -0.572 18032
4297 1 8 . 1 1 83 83 ARG N N 83 118.300 118.300 118.328 -0.028 18032
4298 1 8 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.275 0.065 18032
4299 1 8 . 1 1 83 83 ARG C C 83 180.500 180.500 179.277 1.223 18032
4300 1 8 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.214 0.286 18032
4301 1 8 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.589 2.311 18032
4302 1 8 . 1 1 83 83 ARG H H 83 8.510 8.510 7.579 0.931 18032
4303 1 8 . 1 1 84 84 ILE N N 84 121.300 121.300 119.930 1.370 18032
4304 1 8 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.578 -0.198 18032
4305 1 8 . 1 1 84 84 ILE C C 84 177.300 177.300 177.763 -0.463 18032
4306 1 8 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.258 0.942 18032
4307 1 8 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.346 0.354 18032
4308 1 8 . 1 1 84 84 ILE H H 84 8.340 8.340 7.788 0.552 18032
4309 1 8 . 1 1 85 85 ASP N N 85 120.200 120.200 119.985 0.215 18032
4310 1 8 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.299 0.111 18032
4311 1 8 . 1 1 85 85 ASP C C 85 180.200 180.200 178.586 1.614 18032
4312 1 8 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.317 0.683 18032
4313 1 8 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.983 -1.483 18032
4314 1 8 . 1 1 85 85 ASP H H 85 8.330 8.330 7.983 0.347 18032
4315 1 8 . 1 1 86 86 GLU N N 86 121.100 121.100 119.587 1.513 18032
4316 1 8 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.062 0.058 18032
4317 1 8 . 1 1 86 86 GLU C C 86 179.800 179.800 179.353 0.447 18032
4318 1 8 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.195 0.105 18032
4319 1 8 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.708 -0.208 18032
4320 1 8 . 1 1 86 86 GLU H H 86 8.060 8.060 8.079 -0.019 18032
4321 1 8 . 1 1 87 87 LEU N N 87 122.700 122.700 119.362 3.338 18032
4322 1 8 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.086 0.114 18032
4323 1 8 . 1 1 87 87 LEU C C 87 180.500 180.500 178.973 1.527 18032
4324 1 8 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.290 0.910 18032
4325 1 8 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.913 0.187 18032
4326 1 8 . 1 1 87 87 LEU H H 87 8.090 8.090 7.519 0.571 18032
4327 1 8 . 1 1 88 88 VAL N N 88 122.800 122.800 119.752 3.048 18032
4328 1 8 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.602 -0.062 18032
4329 1 8 . 1 1 88 88 VAL C C 88 179.200 179.200 177.806 1.394 18032
4330 1 8 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.415 0.385 18032
4331 1 8 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.311 0.989 18032
4332 1 8 . 1 1 88 88 VAL H H 88 9.030 9.030 7.797 1.233 18032
4333 1 8 . 1 1 89 89 ALA N N 89 122.900 122.900 121.224 1.676 18032
4334 1 8 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.145 0.075 18032
4335 1 8 . 1 1 89 89 ALA C C 89 180.000 180.000 179.169 0.831 18032
4336 1 8 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.775 -0.075 18032
4337 1 8 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.112 -0.112 18032
4338 1 8 . 1 1 89 89 ALA H H 89 8.170 8.170 8.191 -0.021 18032
4339 1 8 . 1 1 90 90 ALA N N 90 120.100 120.100 120.063 0.037 18032
4340 1 8 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.111 0.159 18032
4341 1 8 . 1 1 90 90 ALA C C 90 179.200 179.200 178.451 0.749 18032
4342 1 8 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.477 -0.577 18032
4343 1 8 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.346 0.153 18032
4344 1 8 . 1 1 90 90 ALA H H 90 7.820 7.820 7.756 0.064 18032
4345 1 8 . 1 1 91 91 LYS N N 91 118.900 118.900 117.798 1.102 18032
4346 1 8 . 1 1 91 91 LYS HA H 91 4.190 4.190 3.716 0.474 18032
4347 1 8 . 1 1 91 91 LYS C C 91 178.400 178.400 178.700 -0.300 18032
4348 1 8 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.638 0.862 18032
4349 1 8 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.435 -0.035 18032
4350 1 8 . 1 1 91 91 LYS H H 91 7.660 7.660 7.456 0.204 18032
4351 1 8 . 1 1 92 92 GLY N N 92 107.200 107.200 107.372 -0.172 18032
4352 1 8 . 1 1 92 92 GLY C C 92 174.700 174.700 175.254 -0.554 18032
4353 1 8 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.592 0.408 18032
4354 1 8 . 1 1 92 92 GLY H H 92 8.090 8.090 7.602 0.488 18032
4355 1 8 . 1 1 93 93 ALA N N 93 123.300 123.300 123.614 -0.314 18032
4356 1 8 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.145 0.175 18032
4357 1 8 . 1 1 93 93 ALA C C 93 178.300 178.300 177.439 0.861 18032
4358 1 8 . 1 1 93 93 ALA CA C 93 53.100 53.100 53.980 -0.880 18032
4359 1 8 . 1 1 93 93 ALA CB C 93 19.000 19.000 18.962 0.038 18032
4360 1 8 . 1 1 93 93 ALA H H 93 7.900 7.900 7.812 0.088 18032
4361 1 8 . 1 1 94 94 LEU N N 94 119.800 119.800 115.633 4.167 18032
4362 1 8 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.707 -0.417 18032
4363 1 8 . 1 1 94 94 LEU C C 94 177.900 177.900 177.027 0.873 18032
4364 1 8 . 1 1 94 94 LEU CA C 94 55.900 55.900 53.038 2.862 18032
4365 1 8 . 1 1 94 94 LEU CB C 94 42.300 42.300 44.660 -2.360 18032
4366 1 8 . 1 1 94 94 LEU H H 94 7.940 7.940 7.535 0.405 18032
4367 1 8 . 1 1 95 95 GLU N N 95 120.100 120.100 117.510 2.590 18032
4368 1 8 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.028 0.162 18032
4369 1 8 . 1 1 95 95 GLU C C 95 176.500 176.500 177.004 -0.504 18032
4370 1 8 . 1 1 95 95 GLU CA C 95 56.900 56.900 58.069 -1.169 18032
4371 1 8 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.923 0.277 18032
4372 1 8 . 1 1 95 95 GLU H H 95 8.130 8.130 8.718 -0.588 18032
4373 1 8 . 1 1 96 96 HIS N N 96 119.200 119.200 118.139 1.061 18032
4374 1 8 . 1 1 96 96 HIS CA C 96 56.300 56.300 57.102 -0.802 18032
4375 1 8 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.458 1.842 18032
4376 1 8 . 1 1 96 96 HIS H H 96 8.160 8.160 8.408 -0.248 18032
4377 1 9 . 1 1 2 2 THR HA H 2 4.580 4.580 4.665 -0.085 18032
4378 1 9 . 1 1 2 2 THR C C 2 174.500 174.500 173.648 0.852 18032
4379 1 9 . 1 1 2 2 THR CA C 2 61.700 61.700 61.955 -0.255 18032
4380 1 9 . 1 1 2 2 THR CB C 2 70.400 70.400 70.016 0.384 18032
4381 1 9 . 1 1 3 3 SER N N 3 120.600 120.600 121.858 -1.258 18032
4382 1 9 . 1 1 3 3 SER HA H 3 4.770 4.770 4.785 -0.015 18032
4383 1 9 . 1 1 3 3 SER C C 3 175.100 175.100 175.574 -0.474 18032
4384 1 9 . 1 1 3 3 SER CA C 3 58.300 58.300 57.861 0.439 18032
4385 1 9 . 1 1 3 3 SER CB C 3 65.000 65.000 65.146 -0.146 18032
4386 1 9 . 1 1 3 3 SER H H 3 9.090 9.090 8.943 0.147 18032
4387 1 9 . 1 1 4 4 THR N N 4 120.500 120.500 117.167 3.333 18032
4388 1 9 . 1 1 4 4 THR HA H 4 4.230 4.230 4.434 -0.204 18032
4389 1 9 . 1 1 4 4 THR C C 4 176.200 176.200 176.163 0.037 18032
4390 1 9 . 1 1 4 4 THR CA C 4 67.700 67.700 66.696 1.004 18032
4391 1 9 . 1 1 4 4 THR CB C 4 67.500 67.500 68.651 -1.151 18032
4392 1 9 . 1 1 4 4 THR H H 4 8.890 8.890 8.750 0.140 18032
4393 1 9 . 1 1 5 5 PHE N N 5 121.100 121.100 122.488 -1.388 18032
4394 1 9 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.233 -0.433 18032
4395 1 9 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.251 1.449 18032
4396 1 9 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.733 -0.033 18032
4397 1 9 . 1 1 5 5 PHE H H 5 9.110 9.110 7.856 1.254 18032
4398 1 9 . 1 1 6 6 ASP N N 6 119.800 119.800 119.304 0.496 18032
4399 1 9 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.018 -0.178 18032
4400 1 9 . 1 1 6 6 ASP C C 6 179.200 179.200 178.508 0.692 18032
4401 1 9 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.667 -0.767 18032
4402 1 9 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.503 0.397 18032
4403 1 9 . 1 1 6 6 ASP H H 6 8.120 8.120 7.722 0.398 18032
4404 1 9 . 1 1 7 7 ARG N N 7 119.200 119.200 119.569 -0.369 18032
4405 1 9 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.063 0.007 18032
4406 1 9 . 1 1 7 7 ARG C C 7 179.400 179.400 178.725 0.675 18032
4407 1 9 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.630 0.670 18032
4408 1 9 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.806 1.294 18032
4409 1 9 . 1 1 7 7 ARG H H 7 8.020 8.020 7.747 0.273 18032
4410 1 9 . 1 1 8 8 VAL N N 8 120.600 120.600 119.574 1.026 18032
4411 1 9 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.817 -0.307 18032
4412 1 9 . 1 1 8 8 VAL C C 8 176.800 176.800 178.045 -1.245 18032
4413 1 9 . 1 1 8 8 VAL CA C 8 67.000 67.000 65.730 1.270 18032
4414 1 9 . 1 1 8 8 VAL CB C 8 31.600 31.600 30.807 0.793 18032
4415 1 9 . 1 1 8 8 VAL H H 8 8.520 8.520 8.091 0.429 18032
4416 1 9 . 1 1 9 9 ALA N N 9 122.800 122.800 121.899 0.901 18032
4417 1 9 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.891 -0.221 18032
4418 1 9 . 1 1 9 9 ALA C C 9 179.000 179.000 179.528 -0.528 18032
4419 1 9 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.398 0.402 18032
4420 1 9 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.906 -0.706 18032
4421 1 9 . 1 1 9 9 ALA H H 9 8.920 8.920 8.234 0.686 18032
4422 1 9 . 1 1 10 10 THR N N 10 114.300 114.300 115.741 -1.441 18032
4423 1 9 . 1 1 10 10 THR HA H 10 3.800 3.800 3.953 -0.153 18032
4424 1 9 . 1 1 10 10 THR C C 10 175.500 175.500 176.638 -1.138 18032
4425 1 9 . 1 1 10 10 THR CA C 10 67.400 67.400 67.101 0.299 18032
4426 1 9 . 1 1 10 10 THR CB C 10 68.900 68.900 68.727 0.173 18032
4427 1 9 . 1 1 10 10 THR H H 10 7.790 7.790 7.455 0.335 18032
4428 1 9 . 1 1 11 11 ILE N N 11 122.100 122.100 122.308 -0.208 18032
4429 1 9 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.610 0.270 18032
4430 1 9 . 1 1 11 11 ILE C C 11 179.700 179.700 177.762 1.938 18032
4431 1 9 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.806 -0.306 18032
4432 1 9 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.725 0.875 18032
4433 1 9 . 1 1 11 11 ILE H H 11 7.760 7.760 7.925 -0.165 18032
4434 1 9 . 1 1 12 12 ILE N N 12 123.100 123.100 119.465 3.635 18032
4435 1 9 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.652 -0.242 18032
4436 1 9 . 1 1 12 12 ILE C C 12 176.800 176.800 177.726 -0.926 18032
4437 1 9 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.235 1.765 18032
4438 1 9 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.512 0.388 18032
4439 1 9 . 1 1 12 12 ILE H H 12 8.750 8.750 7.993 0.757 18032
4440 1 9 . 1 1 13 13 ALA N N 13 122.600 122.600 122.990 -0.390 18032
4441 1 9 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.298 -0.018 18032
4442 1 9 . 1 1 13 13 ALA C C 13 180.700 180.700 179.926 0.774 18032
4443 1 9 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.087 0.613 18032
4444 1 9 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.315 0.285 18032
4445 1 9 . 1 1 13 13 ALA H H 13 8.430 8.430 7.814 0.616 18032
4446 1 9 . 1 1 14 14 GLU N N 14 114.500 114.500 116.739 -2.239 18032
4447 1 9 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.158 0.032 18032
4448 1 9 . 1 1 14 14 GLU C C 14 179.100 179.100 178.865 0.235 18032
4449 1 9 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.248 0.152 18032
4450 1 9 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.482 0.518 18032
4451 1 9 . 1 1 14 14 GLU H H 14 8.290 8.290 7.845 0.445 18032
4452 1 9 . 1 1 15 15 THR N N 15 115.500 115.500 115.084 0.416 18032
4453 1 9 . 1 1 15 15 THR HA H 15 4.080 4.080 4.177 -0.097 18032
4454 1 9 . 1 1 15 15 THR C C 15 176.200 176.200 175.832 0.368 18032
4455 1 9 . 1 1 15 15 THR CA C 15 66.500 66.500 65.950 0.550 18032
4456 1 9 . 1 1 15 15 THR CB C 15 69.400 69.400 69.364 0.036 18032
4457 1 9 . 1 1 15 15 THR H H 15 8.390 8.390 8.339 0.051 18032
4458 1 9 . 1 1 16 16 CYS N N 16 116.000 116.000 118.356 -2.356 18032
4459 1 9 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.661 -0.091 18032
4460 1 9 . 1 1 16 16 CYS C C 16 173.700 173.700 173.997 -0.297 18032
4461 1 9 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.735 0.465 18032
4462 1 9 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.882 0.718 18032
4463 1 9 . 1 1 16 16 CYS H H 16 8.130 8.130 7.864 0.266 18032
4464 1 9 . 1 1 17 17 ASP N N 17 119.900 119.900 121.054 -1.154 18032
4465 1 9 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.506 -0.096 18032
4466 1 9 . 1 1 17 17 ASP C C 17 174.700 174.700 174.621 0.079 18032
4467 1 9 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.301 -0.101 18032
4468 1 9 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.867 -0.967 18032
4469 1 9 . 1 1 17 17 ASP H H 17 7.740 7.740 8.053 -0.313 18032
4470 1 9 . 1 1 18 18 ILE N N 18 119.100 119.100 121.915 -2.815 18032
4471 1 9 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.518 0.072 18032
4472 1 9 . 1 1 18 18 ILE C C 18 179.400 179.400 174.156 5.244 18032
4473 1 9 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.832 -0.032 18032
4474 1 9 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.752 2.248 18032
4475 1 9 . 1 1 18 18 ILE H H 18 7.410 7.410 7.546 -0.136 18032
4476 1 9 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.493 -0.123 18032
4477 1 9 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.568 -0.468 18032
4478 1 9 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.293 -0.193 18032
4479 1 9 . 1 1 20 20 ARG N N 20 129.100 129.100 125.921 3.179 18032
4480 1 9 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.890 -0.030 18032
4481 1 9 . 1 1 20 20 ARG C C 20 178.500 178.500 178.458 0.042 18032
4482 1 9 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.513 -0.713 18032
4483 1 9 . 1 1 20 20 ARG CB C 20 29.500 29.500 30.075 -0.575 18032
4484 1 9 . 1 1 20 20 ARG H H 20 9.150 9.150 8.829 0.321 18032
4485 1 9 . 1 1 21 21 GLU N N 21 117.300 117.300 115.124 2.176 18032
4486 1 9 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.167 0.133 18032
4487 1 9 . 1 1 21 21 GLU C C 21 177.200 177.200 177.169 0.031 18032
4488 1 9 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.664 -0.064 18032
4489 1 9 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.978 -0.478 18032
4490 1 9 . 1 1 21 21 GLU H H 21 9.820 9.820 8.520 1.300 18032
4491 1 9 . 1 1 22 22 THR N N 22 110.200 110.200 109.819 0.381 18032
4492 1 9 . 1 1 22 22 THR HA H 22 4.340 4.340 4.352 -0.012 18032
4493 1 9 . 1 1 22 22 THR C C 22 173.000 173.000 174.768 -1.768 18032
4494 1 9 . 1 1 22 22 THR CA C 22 62.300 62.300 62.119 0.181 18032
4495 1 9 . 1 1 22 22 THR CB C 22 70.000 70.000 69.444 0.556 18032
4496 1 9 . 1 1 22 22 THR H H 22 7.780 7.780 7.680 0.100 18032
4497 1 9 . 1 1 23 23 ILE N N 23 122.600 122.600 126.321 -3.721 18032
4498 1 9 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.294 -0.294 18032
4499 1 9 . 1 1 23 23 ILE C C 23 174.700 174.700 175.250 -0.550 18032
4500 1 9 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.151 1.449 18032
4501 1 9 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.856 1.644 18032
4502 1 9 . 1 1 23 23 ILE H H 23 7.590 7.590 7.368 0.222 18032
4503 1 9 . 1 1 24 24 THR N N 24 118.600 118.600 118.802 -0.202 18032
4504 1 9 . 1 1 24 24 THR HA H 24 5.290 5.290 4.984 0.306 18032
4505 1 9 . 1 1 24 24 THR CA C 24 59.000 59.000 58.885 0.115 18032
4506 1 9 . 1 1 24 24 THR CB C 24 69.800 69.800 69.438 0.362 18032
4507 1 9 . 1 1 24 24 THR H H 24 8.580 8.580 7.912 0.668 18032
4508 1 9 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.552 0.218 18032
4509 1 9 . 1 1 25 25 PRO C C 25 176.200 176.200 177.580 -1.380 18032
4510 1 9 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.729 0.171 18032
4511 1 9 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.481 0.319 18032
4512 1 9 . 1 1 26 26 GLU N N 26 110.900 110.900 115.514 -4.614 18032
4513 1 9 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.295 -0.125 18032
4514 1 9 . 1 1 26 26 GLU C C 26 176.900 176.900 175.864 1.036 18032
4515 1 9 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.485 0.815 18032
4516 1 9 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.009 0.490 18032
4517 1 9 . 1 1 26 26 GLU H H 26 7.380 7.380 8.406 -1.026 18032
4518 1 9 . 1 1 27 27 SER N N 27 118.100 118.100 115.816 2.284 18032
4519 1 9 . 1 1 27 27 SER HA H 27 4.300 4.300 4.475 -0.175 18032
4520 1 9 . 1 1 27 27 SER C C 27 172.100 172.100 173.494 -1.394 18032
4521 1 9 . 1 1 27 27 SER CA C 27 61.000 61.000 57.868 3.132 18032
4522 1 9 . 1 1 27 27 SER CB C 27 64.200 64.200 64.391 -0.191 18032
4523 1 9 . 1 1 27 27 SER H H 27 8.040 8.040 7.361 0.679 18032
4524 1 9 . 1 1 28 28 HIS N N 28 128.200 128.200 127.198 1.002 18032
4525 1 9 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.941 -0.201 18032
4526 1 9 . 1 1 28 28 HIS C C 28 178.200 178.200 175.838 2.362 18032
4527 1 9 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.213 0.087 18032
4528 1 9 . 1 1 28 28 HIS CB C 28 32.600 32.600 30.971 1.629 18032
4529 1 9 . 1 1 28 28 HIS H H 28 10.680 10.680 8.893 1.787 18032
4530 1 9 . 1 1 29 29 ALA N N 29 130.100 130.100 131.226 -1.126 18032
4531 1 9 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.062 -0.112 18032
4532 1 9 . 1 1 29 29 ALA C C 29 175.700 175.700 178.057 -2.357 18032
4533 1 9 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.587 0.313 18032
4534 1 9 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.081 -0.281 18032
4535 1 9 . 1 1 29 29 ALA H H 29 9.270 9.270 8.720 0.550 18032
4536 1 9 . 1 1 30 30 ILE N N 30 113.300 113.300 116.363 -3.063 18032
4537 1 9 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.277 -0.067 18032
4538 1 9 . 1 1 30 30 ILE C C 30 177.200 177.200 177.509 -0.309 18032
4539 1 9 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.706 -0.806 18032
4540 1 9 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.858 0.242 18032
4541 1 9 . 1 1 30 30 ILE H H 30 8.540 8.540 7.572 0.968 18032
4542 1 9 . 1 1 31 31 ASP N N 31 120.600 120.600 118.655 1.945 18032
4543 1 9 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.514 -0.334 18032
4544 1 9 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.017 0.482 18032
4545 1 9 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.140 -1.140 18032
4546 1 9 . 1 1 31 31 ASP H H 31 8.480 8.480 8.378 0.102 18032
4547 1 9 . 1 1 32 32 ASP N N 32 114.200 114.200 119.448 -5.248 18032
4548 1 9 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.730 0.330 18032
4549 1 9 . 1 1 32 32 ASP C C 32 177.500 177.500 177.876 -0.376 18032
4550 1 9 . 1 1 32 32 ASP CA C 32 56.000 56.000 54.966 1.034 18032
4551 1 9 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.504 -0.304 18032
4552 1 9 . 1 1 32 32 ASP H H 32 8.450 8.450 7.977 0.473 18032
4553 1 9 . 1 1 33 33 LEU N N 33 114.000 114.000 119.376 -5.376 18032
4554 1 9 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.258 0.212 18032
4555 1 9 . 1 1 33 33 LEU C C 33 177.400 177.400 177.494 -0.094 18032
4556 1 9 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.696 -0.796 18032
4557 1 9 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.570 -1.370 18032
4558 1 9 . 1 1 33 33 LEU H H 33 7.230 7.230 7.817 -0.587 18032
4559 1 9 . 1 1 34 34 GLY N N 34 107.000 107.000 106.937 0.063 18032
4560 1 9 . 1 1 34 34 GLY C C 34 174.500 174.500 174.756 -0.256 18032
4561 1 9 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.513 1.387 18032
4562 1 9 . 1 1 34 34 GLY H H 34 7.330 7.330 7.628 -0.298 18032
4563 1 9 . 1 1 35 35 ILE N N 35 120.700 120.700 120.664 0.036 18032
4564 1 9 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.139 -0.029 18032
4565 1 9 . 1 1 35 35 ILE C C 35 175.300 175.300 175.470 -0.170 18032
4566 1 9 . 1 1 35 35 ILE CA C 35 62.000 62.000 61.286 0.714 18032
4567 1 9 . 1 1 35 35 ILE CB C 35 37.900 37.900 37.977 -0.077 18032
4568 1 9 . 1 1 35 35 ILE H H 35 7.820 7.820 8.139 -0.319 18032
4569 1 9 . 1 1 36 36 ASP N N 36 126.800 126.800 128.642 -1.842 18032
4570 1 9 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.538 0.302 18032
4571 1 9 . 1 1 36 36 ASP C C 36 177.100 177.100 177.167 -0.067 18032
4572 1 9 . 1 1 36 36 ASP CA C 36 52.600 52.600 55.182 -2.582 18032
4573 1 9 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.303 0.197 18032
4574 1 9 . 1 1 36 36 ASP H H 36 8.780 8.780 8.363 0.417 18032
4575 1 9 . 1 1 37 37 SER N N 37 114.000 114.000 115.487 -1.487 18032
4576 1 9 . 1 1 37 37 SER HA H 37 4.170 4.170 4.278 -0.108 18032
4577 1 9 . 1 1 37 37 SER C C 37 175.700 175.700 176.861 -1.161 18032
4578 1 9 . 1 1 37 37 SER CA C 37 60.700 60.700 61.778 -1.078 18032
4579 1 9 . 1 1 37 37 SER CB C 37 65.800 65.800 63.057 2.743 18032
4580 1 9 . 1 1 37 37 SER H H 37 8.750 8.750 8.437 0.313 18032
4581 1 9 . 1 1 38 38 LEU N N 38 123.200 123.200 120.373 2.827 18032
4582 1 9 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.183 0.037 18032
4583 1 9 . 1 1 38 38 LEU C C 38 180.200 180.200 178.873 1.327 18032
4584 1 9 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.657 0.143 18032
4585 1 9 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.919 0.081 18032
4586 1 9 . 1 1 38 38 LEU H H 38 8.030 8.030 8.317 -0.287 18032
4587 1 9 . 1 1 39 39 ASP N N 39 121.500 121.500 119.973 1.527 18032
4588 1 9 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.428 0.012 18032
4589 1 9 . 1 1 39 39 ASP C C 39 179.000 179.000 178.814 0.186 18032
4590 1 9 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.665 -0.465 18032
4591 1 9 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.489 0.711 18032
4592 1 9 . 1 1 39 39 ASP H H 39 8.390 8.390 8.347 0.043 18032
4593 1 9 . 1 1 40 40 PHE N N 40 118.900 118.900 121.219 -2.319 18032
4594 1 9 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.256 -0.206 18032
4595 1 9 . 1 1 40 40 PHE C C 40 177.500 177.500 177.353 0.147 18032
4596 1 9 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.977 0.823 18032
4597 1 9 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.215 -0.815 18032
4598 1 9 . 1 1 40 40 PHE H H 40 8.640 8.640 8.071 0.569 18032
4599 1 9 . 1 1 41 41 LEU N N 41 118.800 118.800 119.794 -0.994 18032
4600 1 9 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.841 0.139 18032
4601 1 9 . 1 1 41 41 LEU C C 41 179.300 179.300 178.718 0.582 18032
4602 1 9 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.060 0.340 18032
4603 1 9 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.479 -0.479 18032
4604 1 9 . 1 1 41 41 LEU H H 41 7.660 7.660 8.476 -0.816 18032
4605 1 9 . 1 1 42 42 ASP N N 42 119.700 119.700 119.521 0.179 18032
4606 1 9 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.553 0.037 18032
4607 1 9 . 1 1 42 42 ASP C C 42 179.800 179.800 178.838 0.962 18032
4608 1 9 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.405 0.195 18032
4609 1 9 . 1 1 42 42 ASP CB C 42 40.300 40.300 41.016 -0.716 18032
4610 1 9 . 1 1 42 42 ASP H H 42 7.320 7.320 7.682 -0.362 18032
4611 1 9 . 1 1 43 43 ILE N N 43 122.700 122.700 119.878 2.822 18032
4612 1 9 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.752 -0.232 18032
4613 1 9 . 1 1 43 43 ILE C C 43 177.100 177.100 177.618 -0.518 18032
4614 1 9 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.917 0.283 18032
4615 1 9 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.883 0.017 18032
4616 1 9 . 1 1 43 43 ILE H H 43 8.090 8.090 8.025 0.065 18032
4617 1 9 . 1 1 44 44 ALA N N 44 122.600 122.600 122.462 0.138 18032
4618 1 9 . 1 1 44 44 ALA HA H 44 3.860 3.860 4.005 -0.145 18032
4619 1 9 . 1 1 44 44 ALA C C 44 178.500 178.500 179.694 -1.194 18032
4620 1 9 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.675 1.024 18032
4621 1 9 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.744 0.556 18032
4622 1 9 . 1 1 44 44 ALA H H 44 8.830 8.830 7.631 1.199 18032
4623 1 9 . 1 1 45 45 PHE N N 45 117.300 117.300 118.892 -1.592 18032
4624 1 9 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.098 0.402 18032
4625 1 9 . 1 1 45 45 PHE C C 45 178.300 178.300 177.441 0.859 18032
4626 1 9 . 1 1 45 45 PHE CA C 45 60.600 60.600 62.010 -1.410 18032
4627 1 9 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.929 -0.229 18032
4628 1 9 . 1 1 45 45 PHE H H 45 8.090 8.090 8.138 -0.048 18032
4629 1 9 . 1 1 46 46 ALA N N 46 121.600 121.600 123.214 -1.614 18032
4630 1 9 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.147 0.023 18032
4631 1 9 . 1 1 46 46 ALA C C 46 181.400 181.400 179.569 1.831 18032
4632 1 9 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.092 -0.092 18032
4633 1 9 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.139 1.061 18032
4634 1 9 . 1 1 46 46 ALA H H 46 7.780 7.780 7.756 0.024 18032
4635 1 9 . 1 1 47 47 ILE N N 47 122.900 122.900 118.906 3.994 18032
4636 1 9 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.824 -0.044 18032
4637 1 9 . 1 1 47 47 ILE C C 47 177.000 177.000 177.489 -0.489 18032
4638 1 9 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.726 0.274 18032
4639 1 9 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.600 0.400 18032
4640 1 9 . 1 1 47 47 ILE H H 47 8.960 8.960 8.293 0.667 18032
4641 1 9 . 1 1 48 48 ASP N N 48 123.900 123.900 120.885 3.015 18032
4642 1 9 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.298 0.072 18032
4643 1 9 . 1 1 48 48 ASP C C 48 180.200 180.200 178.457 1.743 18032
4644 1 9 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.843 -0.143 18032
4645 1 9 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.811 -0.511 18032
4646 1 9 . 1 1 48 48 ASP H H 48 8.950 8.950 8.092 0.858 18032
4647 1 9 . 1 1 49 49 LYS N N 49 117.500 117.500 118.574 -1.074 18032
4648 1 9 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.036 -0.016 18032
4649 1 9 . 1 1 49 49 LYS C C 49 178.800 178.800 179.237 -0.437 18032
4650 1 9 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.806 -0.206 18032
4651 1 9 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.507 0.093 18032
4652 1 9 . 1 1 49 49 LYS H H 49 7.590 7.590 7.594 -0.004 18032
4653 1 9 . 1 1 50 50 ALA N N 50 121.100 121.100 121.923 -0.823 18032
4654 1 9 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.099 -0.069 18032
4655 1 9 . 1 1 50 50 ALA C C 50 179.400 179.400 179.334 0.066 18032
4656 1 9 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.473 0.127 18032
4657 1 9 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.573 0.527 18032
4658 1 9 . 1 1 50 50 ALA H H 50 8.180 8.180 7.722 0.458 18032
4659 1 9 . 1 1 51 51 PHE N N 51 111.600 111.600 115.284 -3.684 18032
4660 1 9 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.437 0.103 18032
4661 1 9 . 1 1 51 51 PHE C C 51 176.200 176.200 175.841 0.359 18032
4662 1 9 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.226 0.174 18032
4663 1 9 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.474 1.026 18032
4664 1 9 . 1 1 51 51 PHE H H 51 8.620 8.620 7.992 0.628 18032
4665 1 9 . 1 1 52 52 GLY N N 52 112.100 112.100 107.322 4.778 18032
4666 1 9 . 1 1 52 52 GLY C C 52 174.900 174.900 174.341 0.559 18032
4667 1 9 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.676 1.823 18032
4668 1 9 . 1 1 52 52 GLY H H 52 8.140 8.140 7.763 0.377 18032
4669 1 9 . 1 1 53 53 ILE N N 53 111.000 111.000 115.170 -4.170 18032
4670 1 9 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.467 0.203 18032
4671 1 9 . 1 1 53 53 ILE C C 53 173.500 173.500 173.968 -0.468 18032
4672 1 9 . 1 1 53 53 ILE CA C 53 58.600 58.600 59.068 -0.468 18032
4673 1 9 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.533 3.367 18032
4674 1 9 . 1 1 53 53 ILE H H 53 7.520 7.520 7.503 0.017 18032
4675 1 9 . 1 1 54 54 LYS N N 54 119.600 119.600 120.638 -1.038 18032
4676 1 9 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.569 0.041 18032
4677 1 9 . 1 1 54 54 LYS C C 54 175.900 175.900 175.126 0.774 18032
4678 1 9 . 1 1 54 54 LYS CA C 54 53.300 53.300 55.143 -1.843 18032
4679 1 9 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.844 -0.844 18032
4680 1 9 . 1 1 54 54 LYS H H 54 7.940 7.940 8.127 -0.187 18032
4681 1 9 . 1 1 55 55 LEU N N 55 130.800 130.800 127.094 3.706 18032
4682 1 9 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.318 -0.468 18032
4683 1 9 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.589 0.711 18032
4684 1 9 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.782 0.218 18032
4685 1 9 . 1 1 55 55 LEU H H 55 10.700 10.700 8.160 2.540 18032
4686 1 9 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.192 0.408 18032
4687 1 9 . 1 1 56 56 PRO C C 56 174.600 174.600 175.881 -1.281 18032
4688 1 9 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.186 -0.686 18032
4689 1 9 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.781 -2.281 18032
4690 1 9 . 1 1 57 57 LEU N N 57 121.300 121.300 121.074 0.226 18032
4691 1 9 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.538 -0.128 18032
4692 1 9 . 1 1 57 57 LEU C C 57 179.100 179.100 177.933 1.167 18032
4693 1 9 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.717 0.483 18032
4694 1 9 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.628 0.472 18032
4695 1 9 . 1 1 57 57 LEU H H 57 7.490 7.490 7.652 -0.162 18032
4696 1 9 . 1 1 58 58 GLU N N 58 119.200 119.200 118.084 1.116 18032
4697 1 9 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.911 0.069 18032
4698 1 9 . 1 1 58 58 GLU C C 58 178.500 178.500 178.748 -0.248 18032
4699 1 9 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.794 0.106 18032
4700 1 9 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.838 -0.138 18032
4701 1 9 . 1 1 58 58 GLU H H 58 8.860 8.860 8.485 0.375 18032
4702 1 9 . 1 1 59 59 LYS N N 59 122.100 122.100 121.035 1.065 18032
4703 1 9 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.207 -0.107 18032
4704 1 9 . 1 1 59 59 LYS C C 59 178.700 178.700 178.885 -0.185 18032
4705 1 9 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.114 -0.214 18032
4706 1 9 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.305 -0.105 18032
4707 1 9 . 1 1 59 59 LYS H H 59 7.420 7.420 7.351 0.069 18032
4708 1 9 . 1 1 60 60 TRP N N 60 120.000 120.000 118.572 1.428 18032
4709 1 9 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.467 -0.267 18032
4710 1 9 . 1 1 60 60 TRP C C 60 178.300 178.300 179.474 -1.174 18032
4711 1 9 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.669 0.031 18032
4712 1 9 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.025 0.575 18032
4713 1 9 . 1 1 60 60 TRP H H 60 8.140 8.140 8.041 0.099 18032
4714 1 9 . 1 1 61 61 THR N N 61 113.200 113.200 116.502 -3.302 18032
4715 1 9 . 1 1 61 61 THR HA H 61 3.870 3.870 4.126 -0.256 18032
4716 1 9 . 1 1 61 61 THR C C 61 176.300 176.300 177.034 -0.734 18032
4717 1 9 . 1 1 61 61 THR CA C 61 67.100 67.100 67.205 -0.105 18032
4718 1 9 . 1 1 61 61 THR CB C 61 68.900 68.900 68.664 0.236 18032
4719 1 9 . 1 1 61 61 THR H H 61 8.390 8.390 8.273 0.117 18032
4720 1 9 . 1 1 62 62 GLN N N 62 122.300 122.300 120.675 1.625 18032
4721 1 9 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.067 -0.027 18032
4722 1 9 . 1 1 62 62 GLN C C 62 177.900 177.900 178.483 -0.583 18032
4723 1 9 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.309 -0.309 18032
4724 1 9 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.612 -0.512 18032
4725 1 9 . 1 1 62 62 GLN H H 62 7.810 7.810 7.749 0.061 18032
4726 1 9 . 1 1 63 63 GLU N N 63 119.000 119.000 120.290 -1.290 18032
4727 1 9 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.076 -0.006 18032
4728 1 9 . 1 1 63 63 GLU C C 63 180.000 180.000 179.573 0.427 18032
4729 1 9 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.560 0.640 18032
4730 1 9 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.651 0.750 18032
4731 1 9 . 1 1 63 63 GLU H H 63 8.410 8.410 8.105 0.305 18032
4732 1 9 . 1 1 64 64 VAL N N 64 119.600 119.600 120.525 -0.925 18032
4733 1 9 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.083 0.037 18032
4734 1 9 . 1 1 64 64 VAL C C 64 180.600 180.600 178.676 1.924 18032
4735 1 9 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.378 -0.978 18032
4736 1 9 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.903 -0.003 18032
4737 1 9 . 1 1 64 64 VAL H H 64 8.170 8.170 7.890 0.280 18032
4738 1 9 . 1 1 65 65 ASN N N 65 121.700 121.700 118.621 3.079 18032
4739 1 9 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.552 -0.042 18032
4740 1 9 . 1 1 65 65 ASN C C 65 177.300 177.300 176.787 0.513 18032
4741 1 9 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.821 0.479 18032
4742 1 9 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.393 -0.293 18032
4743 1 9 . 1 1 65 65 ASN H H 65 8.550 8.550 8.039 0.511 18032
4744 1 9 . 1 1 66 66 ASP N N 66 118.000 118.000 117.568 0.432 18032
4745 1 9 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.799 -0.029 18032
4746 1 9 . 1 1 66 66 ASP C C 66 177.000 177.000 176.965 0.035 18032
4747 1 9 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.766 0.034 18032
4748 1 9 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.059 0.242 18032
4749 1 9 . 1 1 66 66 ASP H H 66 8.470 8.470 8.233 0.237 18032
4750 1 9 . 1 1 67 67 GLY N N 67 108.600 108.600 107.930 0.670 18032
4751 1 9 . 1 1 67 67 GLY C C 67 174.800 174.800 175.567 -0.767 18032
4752 1 9 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.464 -0.464 18032
4753 1 9 . 1 1 67 67 GLY H H 67 8.100 8.100 7.660 0.440 18032
4754 1 9 . 1 1 68 68 LYS N N 68 118.900 118.900 119.271 -0.371 18032
4755 1 9 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.253 0.057 18032
4756 1 9 . 1 1 68 68 LYS C C 68 175.100 175.100 176.627 -1.527 18032
4757 1 9 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.132 -0.732 18032
4758 1 9 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.229 0.271 18032
4759 1 9 . 1 1 68 68 LYS H H 68 8.400 8.400 8.298 0.102 18032
4760 1 9 . 1 1 69 69 ALA N N 69 120.400 120.400 120.539 -0.139 18032
4761 1 9 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.601 0.029 18032
4762 1 9 . 1 1 69 69 ALA C C 69 175.900 175.900 175.573 0.327 18032
4763 1 9 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.064 -0.564 18032
4764 1 9 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.317 2.683 18032
4765 1 9 . 1 1 69 69 ALA H H 69 7.490 7.490 7.569 -0.079 18032
4766 1 9 . 1 1 70 70 THR N N 70 109.700 109.700 116.547 -6.847 18032
4767 1 9 . 1 1 70 70 THR HA H 70 4.750 4.750 4.503 0.247 18032
4768 1 9 . 1 1 70 70 THR C C 70 175.600 175.600 176.308 -0.708 18032
4769 1 9 . 1 1 70 70 THR CA C 70 59.600 59.600 62.287 -2.687 18032
4770 1 9 . 1 1 70 70 THR CB C 70 70.700 70.700 70.473 0.227 18032
4771 1 9 . 1 1 70 70 THR H H 70 7.930 7.930 8.188 -0.258 18032
4772 1 9 . 1 1 71 71 THR N N 71 111.300 111.300 116.239 -4.939 18032
4773 1 9 . 1 1 71 71 THR HA H 71 4.110 4.110 4.001 0.109 18032
4774 1 9 . 1 1 71 71 THR C C 71 177.500 177.500 176.611 0.889 18032
4775 1 9 . 1 1 71 71 THR CA C 71 65.100 65.100 66.476 -1.376 18032
4776 1 9 . 1 1 71 71 THR CB C 71 68.900 68.900 68.857 0.043 18032
4777 1 9 . 1 1 71 71 THR H H 71 9.030 9.030 8.557 0.473 18032
4778 1 9 . 1 1 72 72 GLU N N 72 122.300 122.300 121.977 0.323 18032
4779 1 9 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.026 -0.166 18032
4780 1 9 . 1 1 72 72 GLU C C 72 177.500 177.500 178.703 -1.203 18032
4781 1 9 . 1 1 72 72 GLU CA C 72 59.900 59.900 60.004 -0.104 18032
4782 1 9 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.851 0.149 18032
4783 1 9 . 1 1 72 72 GLU H H 72 8.830 8.830 8.907 -0.077 18032
4784 1 9 . 1 1 73 73 GLN N N 73 116.900 116.900 116.831 0.069 18032
4785 1 9 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.809 -0.179 18032
4786 1 9 . 1 1 73 73 GLN C C 73 174.000 174.000 176.871 -2.871 18032
4787 1 9 . 1 1 73 73 GLN CA C 73 58.000 58.000 57.960 0.040 18032
4788 1 9 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.465 0.135 18032
4789 1 9 . 1 1 73 73 GLN H H 73 7.280 7.280 7.581 -0.301 18032
4790 1 9 . 1 1 74 74 TYR N N 74 112.700 112.700 113.232 -0.532 18032
4791 1 9 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.211 -0.131 18032
4792 1 9 . 1 1 74 74 TYR C C 74 173.900 173.900 176.330 -2.430 18032
4793 1 9 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.189 -1.389 18032
4794 1 9 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.806 0.493 18032
4795 1 9 . 1 1 74 74 TYR H H 74 6.310 6.310 7.093 -0.783 18032
4796 1 9 . 1 1 75 75 PHE N N 75 108.000 108.000 116.540 -8.540 18032
4797 1 9 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.555 0.105 18032
4798 1 9 . 1 1 75 75 PHE C C 75 177.900 177.900 174.444 3.456 18032
4799 1 9 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.316 0.084 18032
4800 1 9 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.830 0.870 18032
4801 1 9 . 1 1 75 75 PHE H H 75 7.760 7.760 8.089 -0.329 18032
4802 1 9 . 1 1 76 76 VAL N N 76 120.700 120.700 120.235 0.465 18032
4803 1 9 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.407 0.363 18032
4804 1 9 . 1 1 76 76 VAL C C 76 180.000 180.000 176.749 3.251 18032
4805 1 9 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.375 1.525 18032
4806 1 9 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.726 -1.526 18032
4807 1 9 . 1 1 76 76 VAL H H 76 7.010 7.010 7.495 -0.485 18032
4808 1 9 . 1 1 77 77 LEU N N 77 131.600 131.600 128.702 2.898 18032
4809 1 9 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.126 -0.096 18032
4810 1 9 . 1 1 77 77 LEU C C 77 179.000 179.000 179.029 -0.029 18032
4811 1 9 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.763 0.337 18032
4812 1 9 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.069 -0.069 18032
4813 1 9 . 1 1 77 77 LEU H H 77 8.860 8.860 8.838 0.022 18032
4814 1 9 . 1 1 78 78 LYS N N 78 116.700 116.700 117.873 -1.173 18032
4815 1 9 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.976 0.234 18032
4816 1 9 . 1 1 78 78 LYS C C 78 178.000 178.000 178.329 -0.329 18032
4817 1 9 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.290 -0.190 18032
4818 1 9 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.854 -0.754 18032
4819 1 9 . 1 1 78 78 LYS H H 78 9.540 9.540 8.270 1.270 18032
4820 1 9 . 1 1 79 79 ASN N N 79 121.500 121.500 119.561 1.939 18032
4821 1 9 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.501 0.149 18032
4822 1 9 . 1 1 79 79 ASN C C 79 176.200 176.200 177.604 -1.404 18032
4823 1 9 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.255 -0.655 18032
4824 1 9 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.052 -0.852 18032
4825 1 9 . 1 1 79 79 ASN H H 79 7.340 7.340 7.839 -0.499 18032
4826 1 9 . 1 1 80 80 LEU N N 80 124.300 124.300 122.635 1.665 18032
4827 1 9 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.119 -0.089 18032
4828 1 9 . 1 1 80 80 LEU C C 80 178.700 178.700 178.078 0.622 18032
4829 1 9 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.257 0.543 18032
4830 1 9 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.800 -1.000 18032
4831 1 9 . 1 1 80 80 LEU H H 80 8.260 8.260 8.625 -0.365 18032
4832 1 9 . 1 1 81 81 ALA N N 81 118.100 118.100 120.287 -2.187 18032
4833 1 9 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.954 -0.084 18032
4834 1 9 . 1 1 81 81 ALA C C 81 177.600 177.600 179.012 -1.412 18032
4835 1 9 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.949 0.251 18032
4836 1 9 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.080 -0.780 18032
4837 1 9 . 1 1 81 81 ALA H H 81 8.580 8.580 7.913 0.667 18032
4838 1 9 . 1 1 82 82 ALA N N 82 119.800 119.800 121.205 -1.405 18032
4839 1 9 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.096 0.114 18032
4840 1 9 . 1 1 82 82 ALA C C 82 180.700 180.700 179.870 0.830 18032
4841 1 9 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.908 0.492 18032
4842 1 9 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.257 -0.357 18032
4843 1 9 . 1 1 82 82 ALA H H 82 7.230 7.230 7.722 -0.492 18032
4844 1 9 . 1 1 83 83 ARG N N 83 118.300 118.300 118.977 -0.677 18032
4845 1 9 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.103 0.237 18032
4846 1 9 . 1 1 83 83 ARG C C 83 180.500 180.500 178.927 1.573 18032
4847 1 9 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.802 0.698 18032
4848 1 9 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.659 2.241 18032
4849 1 9 . 1 1 83 83 ARG H H 83 8.510 8.510 7.753 0.757 18032
4850 1 9 . 1 1 84 84 ILE N N 84 121.300 121.300 120.828 0.472 18032
4851 1 9 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.597 -0.217 18032
4852 1 9 . 1 1 84 84 ILE C C 84 177.300 177.300 177.758 -0.458 18032
4853 1 9 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.528 0.672 18032
4854 1 9 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.395 0.305 18032
4855 1 9 . 1 1 84 84 ILE H H 84 8.340 8.340 8.170 0.170 18032
4856 1 9 . 1 1 85 85 ASP N N 85 120.200 120.200 119.219 0.981 18032
4857 1 9 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.254 0.156 18032
4858 1 9 . 1 1 85 85 ASP C C 85 180.200 180.200 178.459 1.741 18032
4859 1 9 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.406 0.594 18032
4860 1 9 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.856 -1.356 18032
4861 1 9 . 1 1 85 85 ASP H H 85 8.330 8.330 8.045 0.285 18032
4862 1 9 . 1 1 86 86 GLU N N 86 121.100 121.100 119.984 1.116 18032
4863 1 9 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.080 0.040 18032
4864 1 9 . 1 1 86 86 GLU C C 86 179.800 179.800 179.130 0.670 18032
4865 1 9 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.366 -0.066 18032
4866 1 9 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.655 -0.155 18032
4867 1 9 . 1 1 86 86 GLU H H 86 8.060 8.060 7.842 0.218 18032
4868 1 9 . 1 1 87 87 LEU N N 87 122.700 122.700 118.943 3.757 18032
4869 1 9 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.126 0.074 18032
4870 1 9 . 1 1 87 87 LEU C C 87 180.500 180.500 179.582 0.918 18032
4871 1 9 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.344 0.856 18032
4872 1 9 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.040 0.060 18032
4873 1 9 . 1 1 87 87 LEU H H 87 8.090 8.090 7.782 0.308 18032
4874 1 9 . 1 1 88 88 VAL N N 88 122.800 122.800 120.128 2.672 18032
4875 1 9 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.699 -0.159 18032
4876 1 9 . 1 1 88 88 VAL C C 88 179.200 179.200 177.786 1.414 18032
4877 1 9 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.543 0.257 18032
4878 1 9 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.220 1.080 18032
4879 1 9 . 1 1 88 88 VAL H H 88 9.030 9.030 8.006 1.024 18032
4880 1 9 . 1 1 89 89 ALA N N 89 122.900 122.900 122.301 0.599 18032
4881 1 9 . 1 1 89 89 ALA HA H 89 4.220 4.220 3.913 0.307 18032
4882 1 9 . 1 1 89 89 ALA C C 89 180.000 180.000 179.105 0.895 18032
4883 1 9 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.052 -0.352 18032
4884 1 9 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.244 -0.244 18032
4885 1 9 . 1 1 89 89 ALA H H 89 8.170 8.170 8.070 0.100 18032
4886 1 9 . 1 1 90 90 ALA N N 90 120.100 120.100 119.994 0.106 18032
4887 1 9 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.068 0.202 18032
4888 1 9 . 1 1 90 90 ALA C C 90 179.200 179.200 179.130 0.070 18032
4889 1 9 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.642 -0.743 18032
4890 1 9 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.250 0.251 18032
4891 1 9 . 1 1 90 90 ALA H H 90 7.820 7.820 8.034 -0.214 18032
4892 1 9 . 1 1 91 91 LYS N N 91 118.900 118.900 118.428 0.472 18032
4893 1 9 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.169 0.021 18032
4894 1 9 . 1 1 91 91 LYS C C 91 178.400 178.400 178.535 -0.135 18032
4895 1 9 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.474 0.026 18032
4896 1 9 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.608 -0.208 18032
4897 1 9 . 1 1 91 91 LYS H H 91 7.660 7.660 7.680 -0.020 18032
4898 1 9 . 1 1 92 92 GLY N N 92 107.200 107.200 106.152 1.048 18032
4899 1 9 . 1 1 92 92 GLY C C 92 174.700 174.700 175.458 -0.758 18032
4900 1 9 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.348 0.652 18032
4901 1 9 . 1 1 92 92 GLY H H 92 8.090 8.090 7.733 0.357 18032
4902 1 9 . 1 1 93 93 ALA N N 93 123.300 123.300 124.272 -0.972 18032
4903 1 9 . 1 1 93 93 ALA HA H 93 4.320 4.320 3.751 0.569 18032
4904 1 9 . 1 1 93 93 ALA C C 93 178.300 178.300 177.673 0.627 18032
4905 1 9 . 1 1 93 93 ALA CA C 93 53.100 53.100 53.989 -0.889 18032
4906 1 9 . 1 1 93 93 ALA CB C 93 19.000 19.000 18.928 0.072 18032
4907 1 9 . 1 1 93 93 ALA H H 93 7.900 7.900 7.609 0.291 18032
4908 1 9 . 1 1 94 94 LEU N N 94 119.800 119.800 114.044 5.756 18032
4909 1 9 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.977 0.313 18032
4910 1 9 . 1 1 94 94 LEU C C 94 177.900 177.900 176.380 1.520 18032
4911 1 9 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.005 0.895 18032
4912 1 9 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.454 0.846 18032
4913 1 9 . 1 1 94 94 LEU H H 94 7.940 7.940 7.926 0.014 18032
4914 1 9 . 1 1 95 95 GLU N N 95 120.100 120.100 120.113 -0.013 18032
4915 1 9 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.333 -0.143 18032
4916 1 9 . 1 1 95 95 GLU C C 95 176.500 176.500 175.482 1.018 18032
4917 1 9 . 1 1 95 95 GLU CA C 95 56.900 56.900 55.998 0.902 18032
4918 1 9 . 1 1 95 95 GLU CB C 95 30.200 30.200 28.922 1.278 18032
4919 1 9 . 1 1 95 95 GLU H H 95 8.130 8.130 8.397 -0.267 18032
4920 1 9 . 1 1 96 96 HIS N N 96 119.200 119.200 118.664 0.536 18032
4921 1 9 . 1 1 96 96 HIS CA C 96 56.300 56.300 54.891 1.409 18032
4922 1 9 . 1 1 96 96 HIS CB C 96 30.300 30.300 31.673 -1.373 18032
4923 1 9 . 1 1 96 96 HIS H H 96 8.160 8.160 7.448 0.712 18032
4924 1 10 . 1 1 2 2 THR HA H 2 4.580 4.580 4.539 0.041 18032
4925 1 10 . 1 1 2 2 THR C C 2 174.500 174.500 174.174 0.326 18032
4926 1 10 . 1 1 2 2 THR CA C 2 61.700 61.700 62.891 -1.191 18032
4927 1 10 . 1 1 2 2 THR CB C 2 70.400 70.400 68.643 1.757 18032
4928 1 10 . 1 1 3 3 SER N N 3 120.600 120.600 122.921 -2.321 18032
4929 1 10 . 1 1 3 3 SER HA H 3 4.770 4.770 4.855 -0.085 18032
4930 1 10 . 1 1 3 3 SER C C 3 175.100 175.100 175.308 -0.208 18032
4931 1 10 . 1 1 3 3 SER CA C 3 58.300 58.300 56.832 1.468 18032
4932 1 10 . 1 1 3 3 SER CB C 3 65.000 65.000 65.994 -0.994 18032
4933 1 10 . 1 1 3 3 SER H H 3 9.090 9.090 7.914 1.176 18032
4934 1 10 . 1 1 4 4 THR N N 4 120.500 120.500 119.493 1.007 18032
4935 1 10 . 1 1 4 4 THR HA H 4 4.230 4.230 4.353 -0.123 18032
4936 1 10 . 1 1 4 4 THR C C 4 176.200 176.200 176.596 -0.396 18032
4937 1 10 . 1 1 4 4 THR CA C 4 67.700 67.700 67.400 0.300 18032
4938 1 10 . 1 1 4 4 THR CB C 4 67.500 67.500 68.876 -1.376 18032
4939 1 10 . 1 1 4 4 THR H H 4 8.890 8.890 9.005 -0.115 18032
4940 1 10 . 1 1 5 5 PHE N N 5 121.100 121.100 121.962 -0.862 18032
4941 1 10 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.220 -0.420 18032
4942 1 10 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.616 1.084 18032
4943 1 10 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.915 -0.215 18032
4944 1 10 . 1 1 5 5 PHE H H 5 9.110 9.110 8.173 0.937 18032
4945 1 10 . 1 1 6 6 ASP N N 6 119.800 119.800 119.197 0.603 18032
4946 1 10 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.081 -0.241 18032
4947 1 10 . 1 1 6 6 ASP C C 6 179.200 179.200 178.323 0.877 18032
4948 1 10 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.482 0.418 18032
4949 1 10 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.811 0.089 18032
4950 1 10 . 1 1 6 6 ASP H H 6 8.120 8.120 8.666 -0.546 18032
4951 1 10 . 1 1 7 7 ARG N N 7 119.200 119.200 118.886 0.314 18032
4952 1 10 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.016 0.054 18032
4953 1 10 . 1 1 7 7 ARG C C 7 179.400 179.400 178.877 0.523 18032
4954 1 10 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.233 1.067 18032
4955 1 10 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.728 1.372 18032
4956 1 10 . 1 1 7 7 ARG H H 7 8.020 8.020 8.096 -0.076 18032
4957 1 10 . 1 1 8 8 VAL N N 8 120.600 120.600 119.978 0.622 18032
4958 1 10 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.762 -0.252 18032
4959 1 10 . 1 1 8 8 VAL C C 8 176.800 176.800 177.825 -1.025 18032
4960 1 10 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.648 0.352 18032
4961 1 10 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.316 0.284 18032
4962 1 10 . 1 1 8 8 VAL H H 8 8.520 8.520 8.362 0.158 18032
4963 1 10 . 1 1 9 9 ALA N N 9 122.800 122.800 122.255 0.545 18032
4964 1 10 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.791 -0.121 18032
4965 1 10 . 1 1 9 9 ALA C C 9 179.000 179.000 179.513 -0.513 18032
4966 1 10 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.494 0.306 18032
4967 1 10 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.868 -0.668 18032
4968 1 10 . 1 1 9 9 ALA H H 9 8.920 8.920 8.264 0.656 18032
4969 1 10 . 1 1 10 10 THR N N 10 114.300 114.300 115.706 -1.406 18032
4970 1 10 . 1 1 10 10 THR HA H 10 3.800 3.800 3.941 -0.141 18032
4971 1 10 . 1 1 10 10 THR C C 10 175.500 175.500 176.533 -1.033 18032
4972 1 10 . 1 1 10 10 THR CA C 10 67.400 67.400 67.167 0.233 18032
4973 1 10 . 1 1 10 10 THR CB C 10 68.900 68.900 68.777 0.123 18032
4974 1 10 . 1 1 10 10 THR H H 10 7.790 7.790 7.772 0.018 18032
4975 1 10 . 1 1 11 11 ILE N N 11 122.100 122.100 122.668 -0.568 18032
4976 1 10 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.631 0.249 18032
4977 1 10 . 1 1 11 11 ILE C C 11 179.700 179.700 177.763 1.937 18032
4978 1 10 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.912 -0.412 18032
4979 1 10 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.736 0.864 18032
4980 1 10 . 1 1 11 11 ILE H H 11 7.760 7.760 7.975 -0.215 18032
4981 1 10 . 1 1 12 12 ILE N N 12 123.100 123.100 119.640 3.460 18032
4982 1 10 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.583 -0.173 18032
4983 1 10 . 1 1 12 12 ILE C C 12 176.800 176.800 177.796 -0.996 18032
4984 1 10 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.359 1.641 18032
4985 1 10 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.438 0.462 18032
4986 1 10 . 1 1 12 12 ILE H H 12 8.750 8.750 7.850 0.900 18032
4987 1 10 . 1 1 13 13 ALA N N 13 122.600 122.600 122.491 0.109 18032
4988 1 10 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.306 -0.026 18032
4989 1 10 . 1 1 13 13 ALA C C 13 180.700 180.700 179.643 1.057 18032
4990 1 10 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.003 0.697 18032
4991 1 10 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.308 0.292 18032
4992 1 10 . 1 1 13 13 ALA H H 13 8.430 8.430 7.925 0.505 18032
4993 1 10 . 1 1 14 14 GLU N N 14 114.500 114.500 116.890 -2.390 18032
4994 1 10 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.139 0.051 18032
4995 1 10 . 1 1 14 14 GLU C C 14 179.100 179.100 179.257 -0.157 18032
4996 1 10 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.679 -0.279 18032
4997 1 10 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.816 0.184 18032
4998 1 10 . 1 1 14 14 GLU H H 14 8.290 8.290 7.988 0.302 18032
4999 1 10 . 1 1 15 15 THR N N 15 115.500 115.500 115.206 0.294 18032
5000 1 10 . 1 1 15 15 THR HA H 15 4.080 4.080 4.129 -0.049 18032
5001 1 10 . 1 1 15 15 THR C C 15 176.200 176.200 175.829 0.371 18032
5002 1 10 . 1 1 15 15 THR CA C 15 66.500 66.500 65.845 0.655 18032
5003 1 10 . 1 1 15 15 THR CB C 15 69.400 69.400 69.282 0.118 18032
5004 1 10 . 1 1 15 15 THR H H 15 8.390 8.390 8.239 0.151 18032
5005 1 10 . 1 1 16 16 CYS N N 16 116.000 116.000 118.143 -2.143 18032
5006 1 10 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.701 -0.131 18032
5007 1 10 . 1 1 16 16 CYS C C 16 173.700 173.700 173.427 0.273 18032
5008 1 10 . 1 1 16 16 CYS CA C 16 59.200 59.200 59.127 0.073 18032
5009 1 10 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.602 0.998 18032
5010 1 10 . 1 1 16 16 CYS H H 16 8.130 8.130 7.662 0.468 18032
5011 1 10 . 1 1 17 17 ASP N N 17 119.900 119.900 121.150 -1.250 18032
5012 1 10 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.474 -0.064 18032
5013 1 10 . 1 1 17 17 ASP C C 17 174.700 174.700 175.011 -0.311 18032
5014 1 10 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.091 0.109 18032
5015 1 10 . 1 1 17 17 ASP CB C 17 38.900 38.900 40.123 -1.223 18032
5016 1 10 . 1 1 17 17 ASP H H 17 7.740 7.740 7.957 -0.217 18032
5017 1 10 . 1 1 18 18 ILE N N 18 119.100 119.100 121.671 -2.571 18032
5018 1 10 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.609 -0.019 18032
5019 1 10 . 1 1 18 18 ILE C C 18 179.400 179.400 174.013 5.387 18032
5020 1 10 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.836 0.964 18032
5021 1 10 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.877 3.123 18032
5022 1 10 . 1 1 18 18 ILE H H 18 7.410 7.410 7.545 -0.135 18032
5023 1 10 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.461 -0.091 18032
5024 1 10 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.359 -0.259 18032
5025 1 10 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.154 -0.054 18032
5026 1 10 . 1 1 20 20 ARG N N 20 129.100 129.100 126.428 2.672 18032
5027 1 10 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.897 -0.037 18032
5028 1 10 . 1 1 20 20 ARG C C 20 178.500 178.500 178.471 0.029 18032
5029 1 10 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.120 -0.320 18032
5030 1 10 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.745 -0.245 18032
5031 1 10 . 1 1 20 20 ARG H H 20 9.150 9.150 8.872 0.278 18032
5032 1 10 . 1 1 21 21 GLU N N 21 117.300 117.300 116.578 0.722 18032
5033 1 10 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.181 0.119 18032
5034 1 10 . 1 1 21 21 GLU C C 21 177.200 177.200 177.333 -0.133 18032
5035 1 10 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.645 -0.045 18032
5036 1 10 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.904 -0.404 18032
5037 1 10 . 1 1 21 21 GLU H H 21 9.820 9.820 8.865 0.955 18032
5038 1 10 . 1 1 22 22 THR N N 22 110.200 110.200 110.397 -0.197 18032
5039 1 10 . 1 1 22 22 THR HA H 22 4.340 4.340 4.330 0.010 18032
5040 1 10 . 1 1 22 22 THR C C 22 173.000 173.000 174.275 -1.275 18032
5041 1 10 . 1 1 22 22 THR CA C 22 62.300 62.300 62.139 0.161 18032
5042 1 10 . 1 1 22 22 THR CB C 22 70.000 70.000 69.163 0.837 18032
5043 1 10 . 1 1 22 22 THR H H 22 7.780 7.780 7.656 0.124 18032
5044 1 10 . 1 1 23 23 ILE N N 23 122.600 122.600 124.783 -2.183 18032
5045 1 10 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.228 -0.228 18032
5046 1 10 . 1 1 23 23 ILE C C 23 174.700 174.700 174.891 -0.191 18032
5047 1 10 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.064 1.536 18032
5048 1 10 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.019 0.481 18032
5049 1 10 . 1 1 23 23 ILE H H 23 7.590 7.590 7.308 0.282 18032
5050 1 10 . 1 1 24 24 THR N N 24 118.600 118.600 119.736 -1.136 18032
5051 1 10 . 1 1 24 24 THR HA H 24 5.290 5.290 5.165 0.125 18032
5052 1 10 . 1 1 24 24 THR CA C 24 59.000 59.000 58.859 0.141 18032
5053 1 10 . 1 1 24 24 THR CB C 24 69.800 69.800 70.660 -0.860 18032
5054 1 10 . 1 1 24 24 THR H H 24 8.580 8.580 8.207 0.373 18032
5055 1 10 . 1 1 25 25 PRO HA H 25 3.770 3.770 4.005 -0.235 18032
5056 1 10 . 1 1 25 25 PRO C C 25 176.200 176.200 178.054 -1.854 18032
5057 1 10 . 1 1 25 25 PRO CA C 25 64.900 64.900 65.282 -0.382 18032
5058 1 10 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.751 0.049 18032
5059 1 10 . 1 1 26 26 GLU N N 26 110.900 110.900 113.679 -2.779 18032
5060 1 10 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.352 -0.182 18032
5061 1 10 . 1 1 26 26 GLU C C 26 176.900 176.900 175.720 1.180 18032
5062 1 10 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.807 0.493 18032
5063 1 10 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.852 -0.352 18032
5064 1 10 . 1 1 26 26 GLU H H 26 7.380 7.380 8.583 -1.203 18032
5065 1 10 . 1 1 27 27 SER N N 27 118.100 118.100 115.742 2.358 18032
5066 1 10 . 1 1 27 27 SER HA H 27 4.300 4.300 4.491 -0.191 18032
5067 1 10 . 1 1 27 27 SER C C 27 172.100 172.100 173.831 -1.731 18032
5068 1 10 . 1 1 27 27 SER CA C 27 61.000 61.000 57.693 3.307 18032
5069 1 10 . 1 1 27 27 SER CB C 27 64.200 64.200 64.284 -0.084 18032
5070 1 10 . 1 1 27 27 SER H H 27 8.040 8.040 7.409 0.631 18032
5071 1 10 . 1 1 28 28 HIS N N 28 128.200 128.200 126.149 2.051 18032
5072 1 10 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.978 -0.238 18032
5073 1 10 . 1 1 28 28 HIS C C 28 178.200 178.200 176.398 1.802 18032
5074 1 10 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.305 -0.005 18032
5075 1 10 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.695 0.905 18032
5076 1 10 . 1 1 28 28 HIS H H 28 10.680 10.680 8.833 1.847 18032
5077 1 10 . 1 1 29 29 ALA N N 29 130.100 130.100 131.581 -1.481 18032
5078 1 10 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.052 -0.102 18032
5079 1 10 . 1 1 29 29 ALA C C 29 175.700 175.700 178.635 -2.935 18032
5080 1 10 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.808 0.092 18032
5081 1 10 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.995 -0.195 18032
5082 1 10 . 1 1 29 29 ALA H H 29 9.270 9.270 8.791 0.479 18032
5083 1 10 . 1 1 30 30 ILE N N 30 113.300 113.300 115.777 -2.477 18032
5084 1 10 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.243 -0.033 18032
5085 1 10 . 1 1 30 30 ILE C C 30 177.200 177.200 178.019 -0.819 18032
5086 1 10 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.889 -0.988 18032
5087 1 10 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.539 0.560 18032
5088 1 10 . 1 1 30 30 ILE H H 30 8.540 8.540 7.723 0.817 18032
5089 1 10 . 1 1 31 31 ASP N N 31 120.600 120.600 119.497 1.103 18032
5090 1 10 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.469 -0.289 18032
5091 1 10 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.995 0.505 18032
5092 1 10 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.360 -1.360 18032
5093 1 10 . 1 1 31 31 ASP H H 31 8.480 8.480 8.449 0.031 18032
5094 1 10 . 1 1 32 32 ASP N N 32 114.200 114.200 119.271 -5.071 18032
5095 1 10 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.680 0.380 18032
5096 1 10 . 1 1 32 32 ASP C C 32 177.500 177.500 178.411 -0.911 18032
5097 1 10 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.734 0.266 18032
5098 1 10 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.494 -0.294 18032
5099 1 10 . 1 1 32 32 ASP H H 32 8.450 8.450 8.028 0.422 18032
5100 1 10 . 1 1 33 33 LEU N N 33 114.000 114.000 120.169 -6.169 18032
5101 1 10 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.271 0.199 18032
5102 1 10 . 1 1 33 33 LEU C C 33 177.400 177.400 177.491 -0.091 18032
5103 1 10 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.807 -0.907 18032
5104 1 10 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.876 -1.676 18032
5105 1 10 . 1 1 33 33 LEU H H 33 7.230 7.230 8.045 -0.815 18032
5106 1 10 . 1 1 34 34 GLY N N 34 107.000 107.000 106.696 0.304 18032
5107 1 10 . 1 1 34 34 GLY C C 34 174.500 174.500 174.288 0.212 18032
5108 1 10 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.141 1.759 18032
5109 1 10 . 1 1 34 34 GLY H H 34 7.330 7.330 8.183 -0.853 18032
5110 1 10 . 1 1 35 35 ILE N N 35 120.700 120.700 120.547 0.153 18032
5111 1 10 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.300 -0.190 18032
5112 1 10 . 1 1 35 35 ILE C C 35 175.300 175.300 174.953 0.347 18032
5113 1 10 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.269 1.731 18032
5114 1 10 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.951 -2.051 18032
5115 1 10 . 1 1 35 35 ILE H H 35 7.820 7.820 8.014 -0.194 18032
5116 1 10 . 1 1 36 36 ASP N N 36 126.800 126.800 127.625 -0.825 18032
5117 1 10 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.695 0.145 18032
5118 1 10 . 1 1 36 36 ASP C C 36 177.100 177.100 177.201 -0.101 18032
5119 1 10 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.486 -1.886 18032
5120 1 10 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.543 -0.043 18032
5121 1 10 . 1 1 36 36 ASP H H 36 8.780 8.780 8.332 0.448 18032
5122 1 10 . 1 1 37 37 SER N N 37 114.000 114.000 115.561 -1.561 18032
5123 1 10 . 1 1 37 37 SER HA H 37 4.170 4.170 4.555 -0.385 18032
5124 1 10 . 1 1 37 37 SER C C 37 175.700 175.700 176.982 -1.282 18032
5125 1 10 . 1 1 37 37 SER CA C 37 60.700 60.700 61.352 -0.652 18032
5126 1 10 . 1 1 37 37 SER CB C 37 65.800 65.800 62.741 3.059 18032
5127 1 10 . 1 1 37 37 SER H H 37 8.750 8.750 8.585 0.165 18032
5128 1 10 . 1 1 38 38 LEU N N 38 123.200 123.200 121.610 1.590 18032
5129 1 10 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.039 0.181 18032
5130 1 10 . 1 1 38 38 LEU C C 38 180.200 180.200 178.849 1.351 18032
5131 1 10 . 1 1 38 38 LEU CA C 38 57.800 57.800 58.090 -0.290 18032
5132 1 10 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.521 -0.521 18032
5133 1 10 . 1 1 38 38 LEU H H 38 8.030 8.030 8.156 -0.126 18032
5134 1 10 . 1 1 39 39 ASP N N 39 121.500 121.500 118.089 3.411 18032
5135 1 10 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.527 -0.087 18032
5136 1 10 . 1 1 39 39 ASP C C 39 179.000 179.000 178.633 0.367 18032
5137 1 10 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.242 -0.042 18032
5138 1 10 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.911 0.289 18032
5139 1 10 . 1 1 39 39 ASP H H 39 8.390 8.390 7.689 0.701 18032
5140 1 10 . 1 1 40 40 PHE N N 40 118.900 118.900 121.143 -2.243 18032
5141 1 10 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.338 -0.288 18032
5142 1 10 . 1 1 40 40 PHE C C 40 177.500 177.500 176.839 0.661 18032
5143 1 10 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.628 1.172 18032
5144 1 10 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.440 -1.040 18032
5145 1 10 . 1 1 40 40 PHE H H 40 8.640 8.640 8.076 0.564 18032
5146 1 10 . 1 1 41 41 LEU N N 41 118.800 118.800 120.152 -1.352 18032
5147 1 10 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.845 0.135 18032
5148 1 10 . 1 1 41 41 LEU C C 41 179.300 179.300 178.837 0.463 18032
5149 1 10 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.660 -0.259 18032
5150 1 10 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.066 -0.066 18032
5151 1 10 . 1 1 41 41 LEU H H 41 7.660 7.660 8.282 -0.622 18032
5152 1 10 . 1 1 42 42 ASP N N 42 119.700 119.700 119.221 0.479 18032
5153 1 10 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.492 0.098 18032
5154 1 10 . 1 1 42 42 ASP C C 42 179.800 179.800 179.042 0.758 18032
5155 1 10 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.413 0.187 18032
5156 1 10 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.525 -0.225 18032
5157 1 10 . 1 1 42 42 ASP H H 42 7.320 7.320 7.785 -0.465 18032
5158 1 10 . 1 1 43 43 ILE N N 43 122.700 122.700 119.878 2.822 18032
5159 1 10 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.678 -0.158 18032
5160 1 10 . 1 1 43 43 ILE C C 43 177.100 177.100 177.926 -0.826 18032
5161 1 10 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.667 0.533 18032
5162 1 10 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.328 0.572 18032
5163 1 10 . 1 1 43 43 ILE H H 43 8.090 8.090 7.267 0.823 18032
5164 1 10 . 1 1 44 44 ALA N N 44 122.600 122.600 122.856 -0.256 18032
5165 1 10 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.907 -0.047 18032
5166 1 10 . 1 1 44 44 ALA C C 44 178.500 178.500 179.282 -0.782 18032
5167 1 10 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.824 0.876 18032
5168 1 10 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.907 0.393 18032
5169 1 10 . 1 1 44 44 ALA H H 44 8.830 8.830 7.796 1.034 18032
5170 1 10 . 1 1 45 45 PHE N N 45 117.300 117.300 118.999 -1.699 18032
5171 1 10 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.435 0.065 18032
5172 1 10 . 1 1 45 45 PHE C C 45 178.300 178.300 177.955 0.345 18032
5173 1 10 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.341 -0.741 18032
5174 1 10 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.539 0.161 18032
5175 1 10 . 1 1 45 45 PHE H H 45 8.090 8.090 7.938 0.152 18032
5176 1 10 . 1 1 46 46 ALA N N 46 121.600 121.600 122.583 -0.983 18032
5177 1 10 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.094 0.076 18032
5178 1 10 . 1 1 46 46 ALA C C 46 181.400 181.400 179.684 1.716 18032
5179 1 10 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.090 -0.090 18032
5180 1 10 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.000 1.200 18032
5181 1 10 . 1 1 46 46 ALA H H 46 7.780 7.780 7.859 -0.079 18032
5182 1 10 . 1 1 47 47 ILE N N 47 122.900 122.900 119.229 3.671 18032
5183 1 10 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.766 0.014 18032
5184 1 10 . 1 1 47 47 ILE C C 47 177.000 177.000 177.753 -0.753 18032
5185 1 10 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.677 0.323 18032
5186 1 10 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.693 0.307 18032
5187 1 10 . 1 1 47 47 ILE H H 47 8.960 8.960 7.782 1.178 18032
5188 1 10 . 1 1 48 48 ASP N N 48 123.900 123.900 120.633 3.267 18032
5189 1 10 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.429 -0.059 18032
5190 1 10 . 1 1 48 48 ASP C C 48 180.200 180.200 179.059 1.141 18032
5191 1 10 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.712 -0.012 18032
5192 1 10 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.139 0.161 18032
5193 1 10 . 1 1 48 48 ASP H H 48 8.950 8.950 8.409 0.541 18032
5194 1 10 . 1 1 49 49 LYS N N 49 117.500 117.500 119.104 -1.604 18032
5195 1 10 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.079 -0.059 18032
5196 1 10 . 1 1 49 49 LYS C C 49 178.800 178.800 178.999 -0.199 18032
5197 1 10 . 1 1 49 49 LYS CA C 49 58.600 58.600 59.002 -0.402 18032
5198 1 10 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.477 0.122 18032
5199 1 10 . 1 1 49 49 LYS H H 49 7.590 7.590 7.800 -0.210 18032
5200 1 10 . 1 1 50 50 ALA N N 50 121.100 121.100 121.973 -0.873 18032
5201 1 10 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.112 -0.081 18032
5202 1 10 . 1 1 50 50 ALA C C 50 179.400 179.400 179.231 0.169 18032
5203 1 10 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.526 0.074 18032
5204 1 10 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.732 0.368 18032
5205 1 10 . 1 1 50 50 ALA H H 50 8.180 8.180 7.677 0.503 18032
5206 1 10 . 1 1 51 51 PHE N N 51 111.600 111.600 115.340 -3.740 18032
5207 1 10 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.628 -0.088 18032
5208 1 10 . 1 1 51 51 PHE C C 51 176.200 176.200 176.016 0.184 18032
5209 1 10 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.650 -0.250 18032
5210 1 10 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.326 1.174 18032
5211 1 10 . 1 1 51 51 PHE H H 51 8.620 8.620 8.234 0.386 18032
5212 1 10 . 1 1 52 52 GLY N N 52 112.100 112.100 107.924 4.176 18032
5213 1 10 . 1 1 52 52 GLY C C 52 174.900 174.900 174.708 0.192 18032
5214 1 10 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.918 1.582 18032
5215 1 10 . 1 1 52 52 GLY H H 52 8.140 8.140 7.844 0.296 18032
5216 1 10 . 1 1 53 53 ILE N N 53 111.000 111.000 115.444 -4.444 18032
5217 1 10 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.424 0.246 18032
5218 1 10 . 1 1 53 53 ILE C C 53 173.500 173.500 173.304 0.196 18032
5219 1 10 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.815 -0.215 18032
5220 1 10 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.114 2.786 18032
5221 1 10 . 1 1 53 53 ILE H H 53 7.520 7.520 7.780 -0.260 18032
5222 1 10 . 1 1 54 54 LYS N N 54 119.600 119.600 119.140 0.460 18032
5223 1 10 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.605 0.005 18032
5224 1 10 . 1 1 54 54 LYS C C 54 175.900 175.900 175.343 0.557 18032
5225 1 10 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.440 -1.140 18032
5226 1 10 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.779 -0.779 18032
5227 1 10 . 1 1 54 54 LYS H H 54 7.940 7.940 8.106 -0.166 18032
5228 1 10 . 1 1 55 55 LEU N N 55 130.800 130.800 126.647 4.153 18032
5229 1 10 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.491 -0.641 18032
5230 1 10 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.413 0.887 18032
5231 1 10 . 1 1 55 55 LEU CB C 55 42.000 42.000 42.019 -0.019 18032
5232 1 10 . 1 1 55 55 LEU H H 55 10.700 10.700 8.402 2.298 18032
5233 1 10 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.220 0.380 18032
5234 1 10 . 1 1 56 56 PRO C C 56 174.600 174.600 175.726 -1.126 18032
5235 1 10 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.796 -0.296 18032
5236 1 10 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.961 -2.461 18032
5237 1 10 . 1 1 57 57 LEU N N 57 121.300 121.300 123.470 -2.170 18032
5238 1 10 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.688 -0.278 18032
5239 1 10 . 1 1 57 57 LEU C C 57 179.100 179.100 177.944 1.156 18032
5240 1 10 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.743 0.457 18032
5241 1 10 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.881 0.219 18032
5242 1 10 . 1 1 57 57 LEU H H 57 7.490 7.490 7.373 0.117 18032
5243 1 10 . 1 1 58 58 GLU N N 58 119.200 119.200 118.427 0.773 18032
5244 1 10 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.934 0.046 18032
5245 1 10 . 1 1 58 58 GLU C C 58 178.500 178.500 178.686 -0.186 18032
5246 1 10 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.695 0.205 18032
5247 1 10 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.799 -0.099 18032
5248 1 10 . 1 1 58 58 GLU H H 58 8.860 8.860 8.568 0.292 18032
5249 1 10 . 1 1 59 59 LYS N N 59 122.100 122.100 120.663 1.437 18032
5250 1 10 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.010 0.090 18032
5251 1 10 . 1 1 59 59 LYS C C 59 178.700 178.700 178.718 -0.018 18032
5252 1 10 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.155 -0.255 18032
5253 1 10 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.995 0.205 18032
5254 1 10 . 1 1 59 59 LYS H H 59 7.420 7.420 7.846 -0.426 18032
5255 1 10 . 1 1 60 60 TRP N N 60 120.000 120.000 118.228 1.772 18032
5256 1 10 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.323 -0.123 18032
5257 1 10 . 1 1 60 60 TRP C C 60 178.300 178.300 179.457 -1.157 18032
5258 1 10 . 1 1 60 60 TRP CA C 60 57.700 57.700 58.039 -0.339 18032
5259 1 10 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.905 0.695 18032
5260 1 10 . 1 1 60 60 TRP H H 60 8.140 8.140 7.805 0.335 18032
5261 1 10 . 1 1 61 61 THR N N 61 113.200 113.200 115.526 -2.326 18032
5262 1 10 . 1 1 61 61 THR HA H 61 3.870 3.870 4.158 -0.288 18032
5263 1 10 . 1 1 61 61 THR C C 61 176.300 176.300 176.987 -0.687 18032
5264 1 10 . 1 1 61 61 THR CA C 61 67.100 67.100 67.570 -0.470 18032
5265 1 10 . 1 1 61 61 THR CB C 61 68.900 68.900 68.337 0.563 18032
5266 1 10 . 1 1 61 61 THR H H 61 8.390 8.390 8.271 0.119 18032
5267 1 10 . 1 1 62 62 GLN N N 62 122.300 122.300 119.942 2.358 18032
5268 1 10 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.225 -0.185 18032
5269 1 10 . 1 1 62 62 GLN C C 62 177.900 177.900 178.602 -0.702 18032
5270 1 10 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.613 0.387 18032
5271 1 10 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.290 -0.189 18032
5272 1 10 . 1 1 62 62 GLN H H 62 7.810 7.810 7.735 0.075 18032
5273 1 10 . 1 1 63 63 GLU N N 63 119.000 119.000 120.909 -1.909 18032
5274 1 10 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.151 -0.081 18032
5275 1 10 . 1 1 63 63 GLU C C 63 180.000 180.000 179.546 0.454 18032
5276 1 10 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.520 0.680 18032
5277 1 10 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.739 0.661 18032
5278 1 10 . 1 1 63 63 GLU H H 63 8.410 8.410 8.254 0.156 18032
5279 1 10 . 1 1 64 64 VAL N N 64 119.600 119.600 120.232 -0.632 18032
5280 1 10 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.214 -0.094 18032
5281 1 10 . 1 1 64 64 VAL C C 64 180.600 180.600 178.859 1.741 18032
5282 1 10 . 1 1 64 64 VAL CA C 64 65.400 65.400 65.964 -0.564 18032
5283 1 10 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.560 0.340 18032
5284 1 10 . 1 1 64 64 VAL H H 64 8.170 8.170 8.191 -0.021 18032
5285 1 10 . 1 1 65 65 ASN N N 65 121.700 121.700 119.850 1.850 18032
5286 1 10 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.516 -0.006 18032
5287 1 10 . 1 1 65 65 ASN C C 65 177.300 177.300 176.790 0.510 18032
5288 1 10 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.979 0.321 18032
5289 1 10 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.115 -0.015 18032
5290 1 10 . 1 1 65 65 ASN H H 65 8.550 8.550 8.283 0.267 18032
5291 1 10 . 1 1 66 66 ASP N N 66 118.000 118.000 117.441 0.559 18032
5292 1 10 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.749 0.021 18032
5293 1 10 . 1 1 66 66 ASP C C 66 177.000 177.000 176.691 0.309 18032
5294 1 10 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.797 1.003 18032
5295 1 10 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.216 0.084 18032
5296 1 10 . 1 1 66 66 ASP H H 66 8.470 8.470 7.971 0.499 18032
5297 1 10 . 1 1 67 67 GLY N N 67 108.600 108.600 108.267 0.333 18032
5298 1 10 . 1 1 67 67 GLY C C 67 174.800 174.800 175.818 -1.018 18032
5299 1 10 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.800 0.200 18032
5300 1 10 . 1 1 67 67 GLY H H 67 8.100 8.100 7.646 0.454 18032
5301 1 10 . 1 1 68 68 LYS N N 68 118.900 118.900 119.903 -1.003 18032
5302 1 10 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.111 0.199 18032
5303 1 10 . 1 1 68 68 LYS C C 68 175.100 175.100 176.495 -1.395 18032
5304 1 10 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.086 -0.686 18032
5305 1 10 . 1 1 68 68 LYS CB C 68 33.500 33.500 32.632 0.868 18032
5306 1 10 . 1 1 68 68 LYS H H 68 8.400 8.400 8.098 0.302 18032
5307 1 10 . 1 1 69 69 ALA N N 69 120.400 120.400 120.239 0.161 18032
5308 1 10 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.739 -0.109 18032
5309 1 10 . 1 1 69 69 ALA C C 69 175.900 175.900 175.859 0.041 18032
5310 1 10 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.124 -0.624 18032
5311 1 10 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.056 1.944 18032
5312 1 10 . 1 1 69 69 ALA H H 69 7.490 7.490 7.708 -0.218 18032
5313 1 10 . 1 1 70 70 THR N N 70 109.700 109.700 116.820 -7.120 18032
5314 1 10 . 1 1 70 70 THR HA H 70 4.750 4.750 4.566 0.184 18032
5315 1 10 . 1 1 70 70 THR C C 70 175.600 175.600 176.379 -0.779 18032
5316 1 10 . 1 1 70 70 THR CA C 70 59.600 59.600 62.632 -3.032 18032
5317 1 10 . 1 1 70 70 THR CB C 70 70.700 70.700 70.097 0.603 18032
5318 1 10 . 1 1 70 70 THR H H 70 7.930 7.930 8.749 -0.819 18032
5319 1 10 . 1 1 71 71 THR N N 71 111.300 111.300 117.499 -6.199 18032
5320 1 10 . 1 1 71 71 THR HA H 71 4.110 4.110 4.196 -0.086 18032
5321 1 10 . 1 1 71 71 THR C C 71 177.500 177.500 177.059 0.441 18032
5322 1 10 . 1 1 71 71 THR CA C 71 65.100 65.100 66.377 -1.277 18032
5323 1 10 . 1 1 71 71 THR CB C 71 68.900 68.900 68.535 0.365 18032
5324 1 10 . 1 1 71 71 THR H H 71 9.030 9.030 8.632 0.398 18032
5325 1 10 . 1 1 72 72 GLU N N 72 122.300 122.300 120.883 1.417 18032
5326 1 10 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.235 -0.375 18032
5327 1 10 . 1 1 72 72 GLU C C 72 177.500 177.500 179.005 -1.505 18032
5328 1 10 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.926 -0.026 18032
5329 1 10 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.103 -0.103 18032
5330 1 10 . 1 1 72 72 GLU H H 72 8.830 8.830 8.848 -0.018 18032
5331 1 10 . 1 1 73 73 GLN N N 73 116.900 116.900 115.973 0.927 18032
5332 1 10 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.885 -0.255 18032
5333 1 10 . 1 1 73 73 GLN C C 73 174.000 174.000 177.020 -3.020 18032
5334 1 10 . 1 1 73 73 GLN CA C 73 58.000 58.000 57.954 0.046 18032
5335 1 10 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.687 -0.087 18032
5336 1 10 . 1 1 73 73 GLN H H 73 7.280 7.280 7.668 -0.388 18032
5337 1 10 . 1 1 74 74 TYR N N 74 112.700 112.700 113.184 -0.484 18032
5338 1 10 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.147 -0.067 18032
5339 1 10 . 1 1 74 74 TYR C C 74 173.900 173.900 175.097 -1.197 18032
5340 1 10 . 1 1 74 74 TYR CA C 74 56.800 56.800 56.592 0.208 18032
5341 1 10 . 1 1 74 74 TYR CB C 74 40.300 40.300 38.718 1.582 18032
5342 1 10 . 1 1 74 74 TYR H H 74 6.310 6.310 7.372 -1.062 18032
5343 1 10 . 1 1 75 75 PHE N N 75 108.000 108.000 118.171 -10.171 18032
5344 1 10 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.347 0.313 18032
5345 1 10 . 1 1 75 75 PHE C C 75 177.900 177.900 173.533 4.367 18032
5346 1 10 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.882 -0.482 18032
5347 1 10 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.965 -1.265 18032
5348 1 10 . 1 1 75 75 PHE H H 75 7.760 7.760 7.840 -0.080 18032
5349 1 10 . 1 1 76 76 VAL N N 76 120.700 120.700 120.736 -0.036 18032
5350 1 10 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.438 0.332 18032
5351 1 10 . 1 1 76 76 VAL C C 76 180.000 180.000 176.346 3.654 18032
5352 1 10 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.283 1.617 18032
5353 1 10 . 1 1 76 76 VAL CB C 76 31.200 31.200 33.011 -1.811 18032
5354 1 10 . 1 1 76 76 VAL H H 76 7.010 7.010 7.855 -0.845 18032
5355 1 10 . 1 1 77 77 LEU N N 77 131.600 131.600 127.851 3.749 18032
5356 1 10 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.013 0.017 18032
5357 1 10 . 1 1 77 77 LEU C C 77 179.000 179.000 178.668 0.332 18032
5358 1 10 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.526 0.574 18032
5359 1 10 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.221 -0.221 18032
5360 1 10 . 1 1 77 77 LEU H H 77 8.860 8.860 8.614 0.246 18032
5361 1 10 . 1 1 78 78 LYS N N 78 116.700 116.700 119.516 -2.816 18032
5362 1 10 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.984 0.226 18032
5363 1 10 . 1 1 78 78 LYS C C 78 178.000 178.000 178.552 -0.552 18032
5364 1 10 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.283 -0.183 18032
5365 1 10 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.624 -0.524 18032
5366 1 10 . 1 1 78 78 LYS H H 78 9.540 9.540 8.333 1.207 18032
5367 1 10 . 1 1 79 79 ASN N N 79 121.500 121.500 119.333 2.167 18032
5368 1 10 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.468 0.182 18032
5369 1 10 . 1 1 79 79 ASN C C 79 176.200 176.200 177.982 -1.782 18032
5370 1 10 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.618 -1.018 18032
5371 1 10 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.711 -0.511 18032
5372 1 10 . 1 1 79 79 ASN H H 79 7.340 7.340 7.616 -0.276 18032
5373 1 10 . 1 1 80 80 LEU N N 80 124.300 124.300 122.822 1.478 18032
5374 1 10 . 1 1 80 80 LEU HA H 80 4.030 4.030 3.939 0.091 18032
5375 1 10 . 1 1 80 80 LEU C C 80 178.700 178.700 177.400 1.300 18032
5376 1 10 . 1 1 80 80 LEU CA C 80 58.800 58.800 57.814 0.986 18032
5377 1 10 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.593 -0.793 18032
5378 1 10 . 1 1 80 80 LEU H H 80 8.260 8.260 8.239 0.021 18032
5379 1 10 . 1 1 81 81 ALA N N 81 118.100 118.100 120.743 -2.643 18032
5380 1 10 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.934 -0.064 18032
5381 1 10 . 1 1 81 81 ALA C C 81 177.600 177.600 179.187 -1.587 18032
5382 1 10 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.099 0.101 18032
5383 1 10 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.085 -0.785 18032
5384 1 10 . 1 1 81 81 ALA H H 81 8.580 8.580 8.002 0.578 18032
5385 1 10 . 1 1 82 82 ALA N N 82 119.800 119.800 121.004 -1.204 18032
5386 1 10 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.033 0.177 18032
5387 1 10 . 1 1 82 82 ALA C C 82 180.700 180.700 179.805 0.895 18032
5388 1 10 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.869 0.531 18032
5389 1 10 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.247 -0.347 18032
5390 1 10 . 1 1 82 82 ALA H H 82 7.230 7.230 7.730 -0.500 18032
5391 1 10 . 1 1 83 83 ARG N N 83 118.300 118.300 119.175 -0.875 18032
5392 1 10 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.022 0.318 18032
5393 1 10 . 1 1 83 83 ARG C C 83 180.500 180.500 179.016 1.484 18032
5394 1 10 . 1 1 83 83 ARG CA C 83 58.500 58.500 59.325 -0.825 18032
5395 1 10 . 1 1 83 83 ARG CB C 83 31.900 31.900 30.192 1.708 18032
5396 1 10 . 1 1 83 83 ARG H H 83 8.510 8.510 7.672 0.838 18032
5397 1 10 . 1 1 84 84 ILE N N 84 121.300 121.300 119.657 1.643 18032
5398 1 10 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.620 -0.240 18032
5399 1 10 . 1 1 84 84 ILE C C 84 177.300 177.300 177.331 -0.031 18032
5400 1 10 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.411 0.789 18032
5401 1 10 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.667 0.033 18032
5402 1 10 . 1 1 84 84 ILE H H 84 8.340 8.340 8.073 0.267 18032
5403 1 10 . 1 1 85 85 ASP N N 85 120.200 120.200 119.536 0.664 18032
5404 1 10 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.228 0.182 18032
5405 1 10 . 1 1 85 85 ASP C C 85 180.200 180.200 178.381 1.819 18032
5406 1 10 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.387 0.613 18032
5407 1 10 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.928 -1.428 18032
5408 1 10 . 1 1 85 85 ASP H H 85 8.330 8.330 7.835 0.495 18032
5409 1 10 . 1 1 86 86 GLU N N 86 121.100 121.100 119.735 1.365 18032
5410 1 10 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.109 0.011 18032
5411 1 10 . 1 1 86 86 GLU C C 86 179.800 179.800 179.142 0.658 18032
5412 1 10 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.129 0.171 18032
5413 1 10 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.565 -0.065 18032
5414 1 10 . 1 1 86 86 GLU H H 86 8.060 8.060 7.844 0.216 18032
5415 1 10 . 1 1 87 87 LEU N N 87 122.700 122.700 119.362 3.338 18032
5416 1 10 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.130 0.070 18032
5417 1 10 . 1 1 87 87 LEU C C 87 180.500 180.500 179.471 1.029 18032
5418 1 10 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.431 0.769 18032
5419 1 10 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.141 -0.041 18032
5420 1 10 . 1 1 87 87 LEU H H 87 8.090 8.090 7.599 0.491 18032
5421 1 10 . 1 1 88 88 VAL N N 88 122.800 122.800 118.788 4.012 18032
5422 1 10 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.719 -0.179 18032
5423 1 10 . 1 1 88 88 VAL C C 88 179.200 179.200 177.774 1.426 18032
5424 1 10 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.016 0.784 18032
5425 1 10 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.663 0.636 18032
5426 1 10 . 1 1 88 88 VAL H H 88 9.030 9.030 7.812 1.218 18032
5427 1 10 . 1 1 89 89 ALA N N 89 122.900 122.900 121.951 0.949 18032
5428 1 10 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.223 -0.003 18032
5429 1 10 . 1 1 89 89 ALA C C 89 180.000 180.000 179.159 0.841 18032
5430 1 10 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.762 -0.062 18032
5431 1 10 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.154 -0.154 18032
5432 1 10 . 1 1 89 89 ALA H H 89 8.170 8.170 8.064 0.106 18032
5433 1 10 . 1 1 90 90 ALA N N 90 120.100 120.100 120.573 -0.473 18032
5434 1 10 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.075 0.195 18032
5435 1 10 . 1 1 90 90 ALA C C 90 179.200 179.200 178.616 0.584 18032
5436 1 10 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.460 -0.560 18032
5437 1 10 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.542 -0.042 18032
5438 1 10 . 1 1 90 90 ALA H H 90 7.820 7.820 8.043 -0.223 18032
5439 1 10 . 1 1 91 91 LYS N N 91 118.900 118.900 118.699 0.201 18032
5440 1 10 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.313 -0.123 18032
5441 1 10 . 1 1 91 91 LYS C C 91 178.400 178.400 178.530 -0.130 18032
5442 1 10 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.219 1.281 18032
5443 1 10 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.968 -0.568 18032
5444 1 10 . 1 1 91 91 LYS H H 91 7.660 7.660 7.750 -0.090 18032
5445 1 10 . 1 1 92 92 GLY N N 92 107.200 107.200 107.219 -0.019 18032
5446 1 10 . 1 1 92 92 GLY C C 92 174.700 174.700 174.732 -0.032 18032
5447 1 10 . 1 1 92 92 GLY CA C 92 46.000 46.000 46.001 -0.001 18032
5448 1 10 . 1 1 92 92 GLY H H 92 8.090 8.090 7.754 0.336 18032
5449 1 10 . 1 1 93 93 ALA N N 93 123.300 123.300 122.467 0.833 18032
5450 1 10 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.384 -0.064 18032
5451 1 10 . 1 1 93 93 ALA C C 93 178.300 178.300 177.951 0.349 18032
5452 1 10 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.219 0.881 18032
5453 1 10 . 1 1 93 93 ALA CB C 93 19.000 19.000 18.499 0.501 18032
5454 1 10 . 1 1 93 93 ALA H H 93 7.900 7.900 7.601 0.299 18032
5455 1 10 . 1 1 94 94 LEU N N 94 119.800 119.800 119.532 0.268 18032
5456 1 10 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.274 0.016 18032
5457 1 10 . 1 1 94 94 LEU C C 94 177.900 177.900 176.275 1.625 18032
5458 1 10 . 1 1 94 94 LEU CA C 94 55.900 55.900 53.733 2.167 18032
5459 1 10 . 1 1 94 94 LEU CB C 94 42.300 42.300 42.632 -0.332 18032
5460 1 10 . 1 1 94 94 LEU H H 94 7.940 7.940 7.149 0.791 18032
5461 1 10 . 1 1 95 95 GLU N N 95 120.100 120.100 118.571 1.529 18032
5462 1 10 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.064 0.126 18032
5463 1 10 . 1 1 95 95 GLU C C 95 176.500 176.500 176.197 0.303 18032
5464 1 10 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.706 0.194 18032
5465 1 10 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.759 0.441 18032
5466 1 10 . 1 1 95 95 GLU H H 95 8.130 8.130 8.191 -0.061 18032
5467 1 10 . 1 1 96 96 HIS N N 96 119.200 119.200 124.369 -5.169 18032
5468 1 10 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.185 0.115 18032
5469 1 10 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.888 1.412 18032
5470 1 10 . 1 1 96 96 HIS H H 96 8.160 8.160 8.490 -0.330 18032
5471 1 11 . 1 1 2 2 THR HA H 2 4.580 4.580 4.427 0.153 18032
5472 1 11 . 1 1 2 2 THR C C 2 174.500 174.500 174.872 -0.372 18032
5473 1 11 . 1 1 2 2 THR CA C 2 61.700 61.700 62.111 -0.411 18032
5474 1 11 . 1 1 2 2 THR CB C 2 70.400 70.400 69.873 0.527 18032
5475 1 11 . 1 1 3 3 SER N N 3 120.600 120.600 123.014 -2.414 18032
5476 1 11 . 1 1 3 3 SER HA H 3 4.770 4.770 4.531 0.239 18032
5477 1 11 . 1 1 3 3 SER C C 3 175.100 175.100 175.780 -0.680 18032
5478 1 11 . 1 1 3 3 SER CA C 3 58.300 58.300 58.365 -0.065 18032
5479 1 11 . 1 1 3 3 SER CB C 3 65.000 65.000 63.989 1.011 18032
5480 1 11 . 1 1 3 3 SER H H 3 9.090 9.090 8.601 0.489 18032
5481 1 11 . 1 1 4 4 THR N N 4 120.500 120.500 125.298 -4.798 18032
5482 1 11 . 1 1 4 4 THR HA H 4 4.230 4.230 4.444 -0.214 18032
5483 1 11 . 1 1 4 4 THR C C 4 176.200 176.200 176.287 -0.087 18032
5484 1 11 . 1 1 4 4 THR CA C 4 67.700 67.700 66.038 1.662 18032
5485 1 11 . 1 1 4 4 THR CB C 4 67.500 67.500 68.846 -1.346 18032
5486 1 11 . 1 1 4 4 THR H H 4 8.890 8.890 8.987 -0.097 18032
5487 1 11 . 1 1 5 5 PHE N N 5 121.100 121.100 121.247 -0.147 18032
5488 1 11 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.247 -0.447 18032
5489 1 11 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.965 1.735 18032
5490 1 11 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.853 -0.153 18032
5491 1 11 . 1 1 5 5 PHE H H 5 9.110 9.110 8.649 0.461 18032
5492 1 11 . 1 1 6 6 ASP N N 6 119.800 119.800 119.125 0.675 18032
5493 1 11 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.067 -0.227 18032
5494 1 11 . 1 1 6 6 ASP C C 6 179.200 179.200 178.189 1.011 18032
5495 1 11 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.761 0.139 18032
5496 1 11 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.704 0.196 18032
5497 1 11 . 1 1 6 6 ASP H H 6 8.120 8.120 7.812 0.308 18032
5498 1 11 . 1 1 7 7 ARG N N 7 119.200 119.200 119.115 0.085 18032
5499 1 11 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.046 0.024 18032
5500 1 11 . 1 1 7 7 ARG C C 7 179.400 179.400 178.887 0.513 18032
5501 1 11 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.465 0.835 18032
5502 1 11 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.810 1.290 18032
5503 1 11 . 1 1 7 7 ARG H H 7 8.020 8.020 7.649 0.371 18032
5504 1 11 . 1 1 8 8 VAL N N 8 120.600 120.600 120.082 0.518 18032
5505 1 11 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.680 -0.170 18032
5506 1 11 . 1 1 8 8 VAL C C 8 176.800 176.800 177.878 -1.078 18032
5507 1 11 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.709 0.291 18032
5508 1 11 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.336 0.264 18032
5509 1 11 . 1 1 8 8 VAL H H 8 8.520 8.520 8.234 0.286 18032
5510 1 11 . 1 1 9 9 ALA N N 9 122.800 122.800 120.802 1.998 18032
5511 1 11 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.872 -0.202 18032
5512 1 11 . 1 1 9 9 ALA C C 9 179.000 179.000 179.493 -0.493 18032
5513 1 11 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.400 0.400 18032
5514 1 11 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.651 -0.451 18032
5515 1 11 . 1 1 9 9 ALA H H 9 8.920 8.920 8.258 0.662 18032
5516 1 11 . 1 1 10 10 THR N N 10 114.300 114.300 116.392 -2.092 18032
5517 1 11 . 1 1 10 10 THR HA H 10 3.800 3.800 3.950 -0.150 18032
5518 1 11 . 1 1 10 10 THR C C 10 175.500 175.500 176.498 -0.998 18032
5519 1 11 . 1 1 10 10 THR CA C 10 67.400 67.400 67.878 -0.478 18032
5520 1 11 . 1 1 10 10 THR CB C 10 68.900 68.900 68.458 0.442 18032
5521 1 11 . 1 1 10 10 THR H H 10 7.790 7.790 7.564 0.226 18032
5522 1 11 . 1 1 11 11 ILE N N 11 122.100 122.100 121.810 0.290 18032
5523 1 11 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.592 0.288 18032
5524 1 11 . 1 1 11 11 ILE C C 11 179.700 179.700 177.917 1.783 18032
5525 1 11 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.787 -0.287 18032
5526 1 11 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.700 0.900 18032
5527 1 11 . 1 1 11 11 ILE H H 11 7.760 7.760 7.962 -0.202 18032
5528 1 11 . 1 1 12 12 ILE N N 12 123.100 123.100 119.364 3.736 18032
5529 1 11 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.659 -0.249 18032
5530 1 11 . 1 1 12 12 ILE C C 12 176.800 176.800 177.883 -1.083 18032
5531 1 11 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.244 1.756 18032
5532 1 11 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.599 0.301 18032
5533 1 11 . 1 1 12 12 ILE H H 12 8.750 8.750 8.045 0.705 18032
5534 1 11 . 1 1 13 13 ALA N N 13 122.600 122.600 122.931 -0.331 18032
5535 1 11 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.314 -0.034 18032
5536 1 11 . 1 1 13 13 ALA C C 13 180.700 180.700 180.471 0.229 18032
5537 1 11 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.002 0.698 18032
5538 1 11 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.284 0.316 18032
5539 1 11 . 1 1 13 13 ALA H H 13 8.430 8.430 7.873 0.557 18032
5540 1 11 . 1 1 14 14 GLU N N 14 114.500 114.500 116.711 -2.211 18032
5541 1 11 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.191 -0.001 18032
5542 1 11 . 1 1 14 14 GLU C C 14 179.100 179.100 178.589 0.511 18032
5543 1 11 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.239 0.161 18032
5544 1 11 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.483 0.517 18032
5545 1 11 . 1 1 14 14 GLU H H 14 8.290 8.290 8.266 0.024 18032
5546 1 11 . 1 1 15 15 THR N N 15 115.500 115.500 114.123 1.377 18032
5547 1 11 . 1 1 15 15 THR HA H 15 4.080 4.080 4.218 -0.138 18032
5548 1 11 . 1 1 15 15 THR C C 15 176.200 176.200 175.595 0.605 18032
5549 1 11 . 1 1 15 15 THR CA C 15 66.500 66.500 65.587 0.913 18032
5550 1 11 . 1 1 15 15 THR CB C 15 69.400 69.400 69.488 -0.088 18032
5551 1 11 . 1 1 15 15 THR H H 15 8.390 8.390 8.277 0.113 18032
5552 1 11 . 1 1 16 16 CYS N N 16 116.000 116.000 118.020 -2.020 18032
5553 1 11 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.708 -0.138 18032
5554 1 11 . 1 1 16 16 CYS C C 16 173.700 173.700 173.593 0.107 18032
5555 1 11 . 1 1 16 16 CYS CA C 16 59.200 59.200 57.791 1.409 18032
5556 1 11 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.600 1.000 18032
5557 1 11 . 1 1 16 16 CYS H H 16 8.130 8.130 7.839 0.291 18032
5558 1 11 . 1 1 17 17 ASP N N 17 119.900 119.900 119.087 0.813 18032
5559 1 11 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.375 0.035 18032
5560 1 11 . 1 1 17 17 ASP C C 17 174.700 174.700 175.057 -0.357 18032
5561 1 11 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.149 0.051 18032
5562 1 11 . 1 1 17 17 ASP CB C 17 38.900 38.900 40.042 -1.142 18032
5563 1 11 . 1 1 17 17 ASP H H 17 7.740 7.740 7.923 -0.183 18032
5564 1 11 . 1 1 18 18 ILE N N 18 119.100 119.100 118.677 0.423 18032
5565 1 11 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.474 0.116 18032
5566 1 11 . 1 1 18 18 ILE C C 18 179.400 179.400 174.300 5.100 18032
5567 1 11 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.426 0.374 18032
5568 1 11 . 1 1 18 18 ILE CB C 18 42.000 42.000 37.552 4.448 18032
5569 1 11 . 1 1 18 18 ILE H H 18 7.410 7.410 7.560 -0.150 18032
5570 1 11 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.505 -0.135 18032
5571 1 11 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.324 -0.224 18032
5572 1 11 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.895 0.205 18032
5573 1 11 . 1 1 20 20 ARG N N 20 129.100 129.100 126.955 2.145 18032
5574 1 11 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.912 -0.052 18032
5575 1 11 . 1 1 20 20 ARG C C 20 178.500 178.500 178.244 0.256 18032
5576 1 11 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.239 -0.438 18032
5577 1 11 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.727 -0.227 18032
5578 1 11 . 1 1 20 20 ARG H H 20 9.150 9.150 8.833 0.317 18032
5579 1 11 . 1 1 21 21 GLU N N 21 117.300 117.300 115.627 1.673 18032
5580 1 11 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.176 0.124 18032
5581 1 11 . 1 1 21 21 GLU C C 21 177.200 177.200 177.238 -0.038 18032
5582 1 11 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.530 0.070 18032
5583 1 11 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.369 0.131 18032
5584 1 11 . 1 1 21 21 GLU H H 21 9.820 9.820 8.763 1.057 18032
5585 1 11 . 1 1 22 22 THR N N 22 110.200 110.200 109.066 1.134 18032
5586 1 11 . 1 1 22 22 THR HA H 22 4.340 4.340 4.325 0.015 18032
5587 1 11 . 1 1 22 22 THR C C 22 173.000 173.000 175.511 -2.511 18032
5588 1 11 . 1 1 22 22 THR CA C 22 62.300 62.300 62.446 -0.146 18032
5589 1 11 . 1 1 22 22 THR CB C 22 70.000 70.000 69.401 0.599 18032
5590 1 11 . 1 1 22 22 THR H H 22 7.780 7.780 7.454 0.326 18032
5591 1 11 . 1 1 23 23 ILE N N 23 122.600 122.600 125.461 -2.861 18032
5592 1 11 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.096 -0.096 18032
5593 1 11 . 1 1 23 23 ILE C C 23 174.700 174.700 176.059 -1.359 18032
5594 1 11 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.539 1.061 18032
5595 1 11 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.675 1.825 18032
5596 1 11 . 1 1 23 23 ILE H H 23 7.590 7.590 7.298 0.292 18032
5597 1 11 . 1 1 24 24 THR N N 24 118.600 118.600 119.463 -0.863 18032
5598 1 11 . 1 1 24 24 THR HA H 24 5.290 5.290 4.918 0.372 18032
5599 1 11 . 1 1 24 24 THR CA C 24 59.000 59.000 58.862 0.138 18032
5600 1 11 . 1 1 24 24 THR CB C 24 69.800 69.800 69.435 0.365 18032
5601 1 11 . 1 1 24 24 THR H H 24 8.580 8.580 7.809 0.771 18032
5602 1 11 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.902 -0.132 18032
5603 1 11 . 1 1 25 25 PRO C C 25 176.200 176.200 177.415 -1.215 18032
5604 1 11 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.532 0.368 18032
5605 1 11 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.366 0.434 18032
5606 1 11 . 1 1 26 26 GLU N N 26 110.900 110.900 113.558 -2.658 18032
5607 1 11 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.218 -0.048 18032
5608 1 11 . 1 1 26 26 GLU C C 26 176.900 176.900 176.461 0.439 18032
5609 1 11 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.728 0.572 18032
5610 1 11 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.893 0.607 18032
5611 1 11 . 1 1 26 26 GLU H H 26 7.380 7.380 8.504 -1.124 18032
5612 1 11 . 1 1 27 27 SER N N 27 118.100 118.100 116.340 1.760 18032
5613 1 11 . 1 1 27 27 SER HA H 27 4.300 4.300 4.404 -0.104 18032
5614 1 11 . 1 1 27 27 SER C C 27 172.100 172.100 173.745 -1.645 18032
5615 1 11 . 1 1 27 27 SER CA C 27 61.000 61.000 58.430 2.570 18032
5616 1 11 . 1 1 27 27 SER CB C 27 64.200 64.200 64.480 -0.280 18032
5617 1 11 . 1 1 27 27 SER H H 27 8.040 8.040 7.440 0.600 18032
5618 1 11 . 1 1 28 28 HIS N N 28 128.200 128.200 126.453 1.747 18032
5619 1 11 . 1 1 28 28 HIS HA H 28 4.740 4.740 5.124 -0.384 18032
5620 1 11 . 1 1 28 28 HIS C C 28 178.200 178.200 176.069 2.131 18032
5621 1 11 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.166 0.134 18032
5622 1 11 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.468 1.132 18032
5623 1 11 . 1 1 28 28 HIS H H 28 10.680 10.680 8.735 1.945 18032
5624 1 11 . 1 1 29 29 ALA N N 29 130.100 130.100 131.534 -1.434 18032
5625 1 11 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.107 -0.157 18032
5626 1 11 . 1 1 29 29 ALA C C 29 175.700 175.700 178.546 -2.846 18032
5627 1 11 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.852 0.048 18032
5628 1 11 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.153 -0.353 18032
5629 1 11 . 1 1 29 29 ALA H H 29 9.270 9.270 8.779 0.491 18032
5630 1 11 . 1 1 30 30 ILE N N 30 113.300 113.300 116.317 -3.017 18032
5631 1 11 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.317 -0.107 18032
5632 1 11 . 1 1 30 30 ILE C C 30 177.200 177.200 177.912 -0.712 18032
5633 1 11 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.922 -1.022 18032
5634 1 11 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.531 0.570 18032
5635 1 11 . 1 1 30 30 ILE H H 30 8.540 8.540 7.767 0.773 18032
5636 1 11 . 1 1 31 31 ASP N N 31 120.600 120.600 119.091 1.509 18032
5637 1 11 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.402 -0.222 18032
5638 1 11 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.141 0.359 18032
5639 1 11 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.181 -1.181 18032
5640 1 11 . 1 1 31 31 ASP H H 31 8.480 8.480 8.384 0.096 18032
5641 1 11 . 1 1 32 32 ASP N N 32 114.200 114.200 119.275 -5.075 18032
5642 1 11 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.644 0.416 18032
5643 1 11 . 1 1 32 32 ASP C C 32 177.500 177.500 178.415 -0.915 18032
5644 1 11 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.013 -0.013 18032
5645 1 11 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.301 -0.101 18032
5646 1 11 . 1 1 32 32 ASP H H 32 8.450 8.450 8.095 0.355 18032
5647 1 11 . 1 1 33 33 LEU N N 33 114.000 114.000 119.667 -5.667 18032
5648 1 11 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.263 0.207 18032
5649 1 11 . 1 1 33 33 LEU C C 33 177.400 177.400 176.960 0.440 18032
5650 1 11 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.309 -0.409 18032
5651 1 11 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.668 -1.468 18032
5652 1 11 . 1 1 33 33 LEU H H 33 7.230 7.230 8.033 -0.803 18032
5653 1 11 . 1 1 34 34 GLY N N 34 107.000 107.000 106.394 0.606 18032
5654 1 11 . 1 1 34 34 GLY C C 34 174.500 174.500 174.449 0.051 18032
5655 1 11 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.085 1.815 18032
5656 1 11 . 1 1 34 34 GLY H H 34 7.330 7.330 7.722 -0.392 18032
5657 1 11 . 1 1 35 35 ILE N N 35 120.700 120.700 120.810 -0.110 18032
5658 1 11 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.211 -0.101 18032
5659 1 11 . 1 1 35 35 ILE C C 35 175.300 175.300 174.973 0.327 18032
5660 1 11 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.526 1.474 18032
5661 1 11 . 1 1 35 35 ILE CB C 35 37.900 37.900 38.983 -1.083 18032
5662 1 11 . 1 1 35 35 ILE H H 35 7.820 7.820 7.907 -0.087 18032
5663 1 11 . 1 1 36 36 ASP N N 36 126.800 126.800 127.930 -1.130 18032
5664 1 11 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.646 0.194 18032
5665 1 11 . 1 1 36 36 ASP C C 36 177.100 177.100 177.434 -0.334 18032
5666 1 11 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.437 -0.837 18032
5667 1 11 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.100 -0.600 18032
5668 1 11 . 1 1 36 36 ASP H H 36 8.780 8.780 8.151 0.629 18032
5669 1 11 . 1 1 37 37 SER N N 37 114.000 114.000 118.022 -4.022 18032
5670 1 11 . 1 1 37 37 SER HA H 37 4.170 4.170 4.328 -0.158 18032
5671 1 11 . 1 1 37 37 SER C C 37 175.700 175.700 176.611 -0.911 18032
5672 1 11 . 1 1 37 37 SER CA C 37 60.700 60.700 61.604 -0.904 18032
5673 1 11 . 1 1 37 37 SER CB C 37 65.800 65.800 63.008 2.792 18032
5674 1 11 . 1 1 37 37 SER H H 37 8.750 8.750 8.509 0.241 18032
5675 1 11 . 1 1 38 38 LEU N N 38 123.200 123.200 120.862 2.338 18032
5676 1 11 . 1 1 38 38 LEU HA H 38 4.220 4.220 3.996 0.224 18032
5677 1 11 . 1 1 38 38 LEU C C 38 180.200 180.200 178.781 1.419 18032
5678 1 11 . 1 1 38 38 LEU CA C 38 57.800 57.800 58.330 -0.530 18032
5679 1 11 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.639 -0.639 18032
5680 1 11 . 1 1 38 38 LEU H H 38 8.030 8.030 8.309 -0.279 18032
5681 1 11 . 1 1 39 39 ASP N N 39 121.500 121.500 118.849 2.651 18032
5682 1 11 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.465 -0.025 18032
5683 1 11 . 1 1 39 39 ASP C C 39 179.000 179.000 178.849 0.151 18032
5684 1 11 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.581 -0.381 18032
5685 1 11 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.712 0.488 18032
5686 1 11 . 1 1 39 39 ASP H H 39 8.390 8.390 7.685 0.705 18032
5687 1 11 . 1 1 40 40 PHE N N 40 118.900 118.900 121.132 -2.232 18032
5688 1 11 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.407 -0.357 18032
5689 1 11 . 1 1 40 40 PHE C C 40 177.500 177.500 176.873 0.627 18032
5690 1 11 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.667 1.133 18032
5691 1 11 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.557 -1.157 18032
5692 1 11 . 1 1 40 40 PHE H H 40 8.640 8.640 8.114 0.526 18032
5693 1 11 . 1 1 41 41 LEU N N 41 118.800 118.800 119.574 -0.774 18032
5694 1 11 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.949 0.031 18032
5695 1 11 . 1 1 41 41 LEU C C 41 179.300 179.300 178.610 0.690 18032
5696 1 11 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.222 0.178 18032
5697 1 11 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.428 -0.428 18032
5698 1 11 . 1 1 41 41 LEU H H 41 7.660 7.660 8.520 -0.860 18032
5699 1 11 . 1 1 42 42 ASP N N 42 119.700 119.700 119.518 0.182 18032
5700 1 11 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.497 0.093 18032
5701 1 11 . 1 1 42 42 ASP C C 42 179.800 179.800 178.574 1.226 18032
5702 1 11 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.069 0.531 18032
5703 1 11 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.871 -0.571 18032
5704 1 11 . 1 1 42 42 ASP H H 42 7.320 7.320 7.688 -0.368 18032
5705 1 11 . 1 1 43 43 ILE N N 43 122.700 122.700 119.989 2.711 18032
5706 1 11 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.625 -0.105 18032
5707 1 11 . 1 1 43 43 ILE C C 43 177.100 177.100 177.844 -0.744 18032
5708 1 11 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.988 0.212 18032
5709 1 11 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.712 0.188 18032
5710 1 11 . 1 1 43 43 ILE H H 43 8.090 8.090 7.435 0.655 18032
5711 1 11 . 1 1 44 44 ALA N N 44 122.600 122.600 121.829 0.771 18032
5712 1 11 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.911 -0.051 18032
5713 1 11 . 1 1 44 44 ALA C C 44 178.500 178.500 179.174 -0.674 18032
5714 1 11 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.656 1.044 18032
5715 1 11 . 1 1 44 44 ALA CB C 44 18.300 18.300 18.048 0.252 18032
5716 1 11 . 1 1 44 44 ALA H H 44 8.830 8.830 8.081 0.749 18032
5717 1 11 . 1 1 45 45 PHE N N 45 117.300 117.300 119.204 -1.904 18032
5718 1 11 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.345 0.155 18032
5719 1 11 . 1 1 45 45 PHE C C 45 178.300 178.300 176.985 1.315 18032
5720 1 11 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.498 -0.899 18032
5721 1 11 . 1 1 45 45 PHE CB C 45 38.700 38.700 39.125 -0.425 18032
5722 1 11 . 1 1 45 45 PHE H H 45 8.090 8.090 8.038 0.052 18032
5723 1 11 . 1 1 46 46 ALA N N 46 121.600 121.600 122.924 -1.324 18032
5724 1 11 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.060 0.110 18032
5725 1 11 . 1 1 46 46 ALA C C 46 181.400 181.400 179.181 2.219 18032
5726 1 11 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.002 -0.002 18032
5727 1 11 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.088 1.112 18032
5728 1 11 . 1 1 46 46 ALA H H 46 7.780 7.780 7.854 -0.074 18032
5729 1 11 . 1 1 47 47 ILE N N 47 122.900 122.900 119.482 3.418 18032
5730 1 11 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.752 0.028 18032
5731 1 11 . 1 1 47 47 ILE C C 47 177.000 177.000 177.719 -0.719 18032
5732 1 11 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.615 0.384 18032
5733 1 11 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.632 0.368 18032
5734 1 11 . 1 1 47 47 ILE H H 47 8.960 8.960 7.675 1.285 18032
5735 1 11 . 1 1 48 48 ASP N N 48 123.900 123.900 120.105 3.795 18032
5736 1 11 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.252 0.118 18032
5737 1 11 . 1 1 48 48 ASP C C 48 180.200 180.200 178.555 1.645 18032
5738 1 11 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.377 0.323 18032
5739 1 11 . 1 1 48 48 ASP CB C 48 40.300 40.300 39.843 0.457 18032
5740 1 11 . 1 1 48 48 ASP H H 48 8.950 8.950 8.229 0.721 18032
5741 1 11 . 1 1 49 49 LYS N N 49 117.500 117.500 119.714 -2.214 18032
5742 1 11 . 1 1 49 49 LYS HA H 49 4.020 4.020 3.935 0.085 18032
5743 1 11 . 1 1 49 49 LYS C C 49 178.800 178.800 179.048 -0.248 18032
5744 1 11 . 1 1 49 49 LYS CA C 49 58.600 58.600 59.263 -0.663 18032
5745 1 11 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.639 -0.039 18032
5746 1 11 . 1 1 49 49 LYS H H 49 7.590 7.590 7.825 -0.235 18032
5747 1 11 . 1 1 50 50 ALA N N 50 121.100 121.100 121.503 -0.403 18032
5748 1 11 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.100 -0.070 18032
5749 1 11 . 1 1 50 50 ALA C C 50 179.400 179.400 179.536 -0.136 18032
5750 1 11 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.560 0.040 18032
5751 1 11 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.578 0.522 18032
5752 1 11 . 1 1 50 50 ALA H H 50 8.180 8.180 7.735 0.445 18032
5753 1 11 . 1 1 51 51 PHE N N 51 111.600 111.600 115.434 -3.834 18032
5754 1 11 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.552 -0.012 18032
5755 1 11 . 1 1 51 51 PHE C C 51 176.200 176.200 176.129 0.071 18032
5756 1 11 . 1 1 51 51 PHE CA C 51 58.400 58.400 59.117 -0.717 18032
5757 1 11 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.528 0.972 18032
5758 1 11 . 1 1 51 51 PHE H H 51 8.620 8.620 8.084 0.536 18032
5759 1 11 . 1 1 52 52 GLY N N 52 112.100 112.100 107.537 4.563 18032
5760 1 11 . 1 1 52 52 GLY C C 52 174.900 174.900 174.345 0.555 18032
5761 1 11 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.735 1.765 18032
5762 1 11 . 1 1 52 52 GLY H H 52 8.140 8.140 7.862 0.278 18032
5763 1 11 . 1 1 53 53 ILE N N 53 111.000 111.000 113.702 -2.702 18032
5764 1 11 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.406 0.264 18032
5765 1 11 . 1 1 53 53 ILE C C 53 173.500 173.500 173.373 0.127 18032
5766 1 11 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.860 -0.260 18032
5767 1 11 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.005 2.895 18032
5768 1 11 . 1 1 53 53 ILE H H 53 7.520 7.520 7.497 0.023 18032
5769 1 11 . 1 1 54 54 LYS N N 54 119.600 119.600 119.275 0.325 18032
5770 1 11 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.561 0.049 18032
5771 1 11 . 1 1 54 54 LYS C C 54 175.900 175.900 175.447 0.453 18032
5772 1 11 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.703 -1.403 18032
5773 1 11 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.480 -0.480 18032
5774 1 11 . 1 1 54 54 LYS H H 54 7.940 7.940 7.990 -0.050 18032
5775 1 11 . 1 1 55 55 LEU N N 55 130.800 130.800 125.576 5.224 18032
5776 1 11 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.281 -0.431 18032
5777 1 11 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.898 0.403 18032
5778 1 11 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.582 0.418 18032
5779 1 11 . 1 1 55 55 LEU H H 55 10.700 10.700 8.426 2.274 18032
5780 1 11 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.149 0.451 18032
5781 1 11 . 1 1 56 56 PRO C C 56 174.600 174.600 175.818 -1.218 18032
5782 1 11 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.269 -0.769 18032
5783 1 11 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.587 -2.087 18032
5784 1 11 . 1 1 57 57 LEU N N 57 121.300 121.300 121.509 -0.209 18032
5785 1 11 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.609 -0.199 18032
5786 1 11 . 1 1 57 57 LEU C C 57 179.100 179.100 177.852 1.248 18032
5787 1 11 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.061 0.139 18032
5788 1 11 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.719 0.381 18032
5789 1 11 . 1 1 57 57 LEU H H 57 7.490 7.490 7.752 -0.262 18032
5790 1 11 . 1 1 58 58 GLU N N 58 119.200 119.200 117.256 1.944 18032
5791 1 11 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.987 -0.007 18032
5792 1 11 . 1 1 58 58 GLU C C 58 178.500 178.500 178.787 -0.287 18032
5793 1 11 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.719 0.180 18032
5794 1 11 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.105 -0.405 18032
5795 1 11 . 1 1 58 58 GLU H H 58 8.860 8.860 8.601 0.259 18032
5796 1 11 . 1 1 59 59 LYS N N 59 122.100 122.100 120.177 1.923 18032
5797 1 11 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.334 -0.234 18032
5798 1 11 . 1 1 59 59 LYS C C 59 178.700 178.700 178.718 -0.018 18032
5799 1 11 . 1 1 59 59 LYS CA C 59 58.900 58.900 58.579 0.321 18032
5800 1 11 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.093 0.107 18032
5801 1 11 . 1 1 59 59 LYS H H 59 7.420 7.420 7.361 0.059 18032
5802 1 11 . 1 1 60 60 TRP N N 60 120.000 120.000 120.261 -0.261 18032
5803 1 11 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.597 -0.397 18032
5804 1 11 . 1 1 60 60 TRP C C 60 178.300 178.300 179.102 -0.802 18032
5805 1 11 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.491 0.209 18032
5806 1 11 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.866 0.734 18032
5807 1 11 . 1 1 60 60 TRP H H 60 8.140 8.140 8.097 0.043 18032
5808 1 11 . 1 1 61 61 THR N N 61 113.200 113.200 116.638 -3.438 18032
5809 1 11 . 1 1 61 61 THR HA H 61 3.870 3.870 4.060 -0.190 18032
5810 1 11 . 1 1 61 61 THR C C 61 176.300 176.300 177.016 -0.716 18032
5811 1 11 . 1 1 61 61 THR CA C 61 67.100 67.100 67.191 -0.091 18032
5812 1 11 . 1 1 61 61 THR CB C 61 68.900 68.900 68.570 0.330 18032
5813 1 11 . 1 1 61 61 THR H H 61 8.390 8.390 8.315 0.075 18032
5814 1 11 . 1 1 62 62 GLN N N 62 122.300 122.300 120.403 1.897 18032
5815 1 11 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.127 -0.087 18032
5816 1 11 . 1 1 62 62 GLN C C 62 177.900 177.900 178.563 -0.663 18032
5817 1 11 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.099 -0.099 18032
5818 1 11 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.608 -0.508 18032
5819 1 11 . 1 1 62 62 GLN H H 62 7.810 7.810 7.781 0.029 18032
5820 1 11 . 1 1 63 63 GLU N N 63 119.000 119.000 120.647 -1.647 18032
5821 1 11 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.140 -0.070 18032
5822 1 11 . 1 1 63 63 GLU C C 63 180.000 180.000 179.562 0.438 18032
5823 1 11 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.498 0.702 18032
5824 1 11 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.742 0.658 18032
5825 1 11 . 1 1 63 63 GLU H H 63 8.410 8.410 8.182 0.228 18032
5826 1 11 . 1 1 64 64 VAL N N 64 119.600 119.600 120.981 -1.381 18032
5827 1 11 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.028 0.092 18032
5828 1 11 . 1 1 64 64 VAL C C 64 180.600 180.600 178.661 1.939 18032
5829 1 11 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.342 -0.942 18032
5830 1 11 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.885 0.015 18032
5831 1 11 . 1 1 64 64 VAL H H 64 8.170 8.170 8.283 -0.113 18032
5832 1 11 . 1 1 65 65 ASN N N 65 121.700 121.700 118.769 2.931 18032
5833 1 11 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.506 0.004 18032
5834 1 11 . 1 1 65 65 ASN C C 65 177.300 177.300 176.609 0.691 18032
5835 1 11 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.910 0.390 18032
5836 1 11 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.115 -0.015 18032
5837 1 11 . 1 1 65 65 ASN H H 65 8.550 8.550 8.191 0.359 18032
5838 1 11 . 1 1 66 66 ASP N N 66 118.000 118.000 117.558 0.442 18032
5839 1 11 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.761 0.009 18032
5840 1 11 . 1 1 66 66 ASP C C 66 177.000 177.000 176.963 0.037 18032
5841 1 11 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.852 0.948 18032
5842 1 11 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.461 -0.161 18032
5843 1 11 . 1 1 66 66 ASP H H 66 8.470 8.470 7.869 0.601 18032
5844 1 11 . 1 1 67 67 GLY N N 67 108.600 108.600 107.298 1.302 18032
5845 1 11 . 1 1 67 67 GLY C C 67 174.800 174.800 175.636 -0.836 18032
5846 1 11 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.721 0.279 18032
5847 1 11 . 1 1 67 67 GLY H H 67 8.100 8.100 7.609 0.491 18032
5848 1 11 . 1 1 68 68 LYS N N 68 118.900 118.900 119.431 -0.531 18032
5849 1 11 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.090 0.220 18032
5850 1 11 . 1 1 68 68 LYS C C 68 175.100 175.100 176.847 -1.747 18032
5851 1 11 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.826 -1.426 18032
5852 1 11 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.075 0.425 18032
5853 1 11 . 1 1 68 68 LYS H H 68 8.400 8.400 8.158 0.242 18032
5854 1 11 . 1 1 69 69 ALA N N 69 120.400 120.400 118.961 1.439 18032
5855 1 11 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.755 -0.125 18032
5856 1 11 . 1 1 69 69 ALA C C 69 175.900 175.900 175.655 0.245 18032
5857 1 11 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.253 -0.753 18032
5858 1 11 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.069 1.931 18032
5859 1 11 . 1 1 69 69 ALA H H 69 7.490 7.490 7.579 -0.089 18032
5860 1 11 . 1 1 70 70 THR N N 70 109.700 109.700 113.334 -3.634 18032
5861 1 11 . 1 1 70 70 THR HA H 70 4.750 4.750 4.786 -0.036 18032
5862 1 11 . 1 1 70 70 THR C C 70 175.600 175.600 175.846 -0.246 18032
5863 1 11 . 1 1 70 70 THR CA C 70 59.600 59.600 60.743 -1.143 18032
5864 1 11 . 1 1 70 70 THR CB C 70 70.700 70.700 72.437 -1.737 18032
5865 1 11 . 1 1 70 70 THR H H 70 7.930 7.930 8.298 -0.368 18032
5866 1 11 . 1 1 71 71 THR N N 71 111.300 111.300 115.883 -4.583 18032
5867 1 11 . 1 1 71 71 THR HA H 71 4.110 4.110 4.225 -0.115 18032
5868 1 11 . 1 1 71 71 THR C C 71 177.500 177.500 176.570 0.930 18032
5869 1 11 . 1 1 71 71 THR CA C 71 65.100 65.100 66.041 -0.941 18032
5870 1 11 . 1 1 71 71 THR CB C 71 68.900 68.900 68.495 0.405 18032
5871 1 11 . 1 1 71 71 THR H H 71 9.030 9.030 8.585 0.445 18032
5872 1 11 . 1 1 72 72 GLU N N 72 122.300 122.300 121.356 0.944 18032
5873 1 11 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.185 -0.325 18032
5874 1 11 . 1 1 72 72 GLU C C 72 177.500 177.500 179.103 -1.603 18032
5875 1 11 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.624 0.276 18032
5876 1 11 . 1 1 72 72 GLU CB C 72 29.000 29.000 27.933 1.067 18032
5877 1 11 . 1 1 72 72 GLU H H 72 8.830 8.830 9.036 -0.206 18032
5878 1 11 . 1 1 73 73 GLN N N 73 116.900 116.900 119.097 -2.197 18032
5879 1 11 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.886 -0.256 18032
5880 1 11 . 1 1 73 73 GLN C C 73 174.000 174.000 176.897 -2.897 18032
5881 1 11 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.337 -0.337 18032
5882 1 11 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.206 0.395 18032
5883 1 11 . 1 1 73 73 GLN H H 73 7.280 7.280 7.973 -0.693 18032
5884 1 11 . 1 1 74 74 TYR N N 74 112.700 112.700 113.405 -0.705 18032
5885 1 11 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.132 -0.052 18032
5886 1 11 . 1 1 74 74 TYR C C 74 173.900 173.900 176.231 -2.331 18032
5887 1 11 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.665 -1.865 18032
5888 1 11 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.491 0.809 18032
5889 1 11 . 1 1 74 74 TYR H H 74 6.310 6.310 7.560 -1.250 18032
5890 1 11 . 1 1 75 75 PHE N N 75 108.000 108.000 116.262 -8.262 18032
5891 1 11 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.495 0.165 18032
5892 1 11 . 1 1 75 75 PHE C C 75 177.900 177.900 173.962 3.938 18032
5893 1 11 . 1 1 75 75 PHE CA C 75 57.400 57.400 58.359 -0.959 18032
5894 1 11 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.528 0.172 18032
5895 1 11 . 1 1 75 75 PHE H H 75 7.760 7.760 8.142 -0.382 18032
5896 1 11 . 1 1 76 76 VAL N N 76 120.700 120.700 120.911 -0.211 18032
5897 1 11 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.424 0.346 18032
5898 1 11 . 1 1 76 76 VAL C C 76 180.000 180.000 176.549 3.451 18032
5899 1 11 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.825 1.075 18032
5900 1 11 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.380 -1.180 18032
5901 1 11 . 1 1 76 76 VAL H H 76 7.010 7.010 7.678 -0.668 18032
5902 1 11 . 1 1 77 77 LEU N N 77 131.600 131.600 128.829 2.771 18032
5903 1 11 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.112 -0.082 18032
5904 1 11 . 1 1 77 77 LEU C C 77 179.000 179.000 179.048 -0.048 18032
5905 1 11 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.435 0.665 18032
5906 1 11 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.911 0.089 18032
5907 1 11 . 1 1 77 77 LEU H H 77 8.860 8.860 8.873 -0.013 18032
5908 1 11 . 1 1 78 78 LYS N N 78 116.700 116.700 118.997 -2.297 18032
5909 1 11 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.002 0.208 18032
5910 1 11 . 1 1 78 78 LYS C C 78 178.000 178.000 178.642 -0.642 18032
5911 1 11 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.004 0.096 18032
5912 1 11 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.692 -0.592 18032
5913 1 11 . 1 1 78 78 LYS H H 78 9.540 9.540 8.319 1.221 18032
5914 1 11 . 1 1 79 79 ASN N N 79 121.500 121.500 119.891 1.609 18032
5915 1 11 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.435 0.215 18032
5916 1 11 . 1 1 79 79 ASN C C 79 176.200 176.200 177.544 -1.344 18032
5917 1 11 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.618 -1.018 18032
5918 1 11 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.877 -0.677 18032
5919 1 11 . 1 1 79 79 ASN H H 79 7.340 7.340 7.763 -0.423 18032
5920 1 11 . 1 1 80 80 LEU N N 80 124.300 124.300 122.036 2.264 18032
5921 1 11 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.112 -0.082 18032
5922 1 11 . 1 1 80 80 LEU C C 80 178.700 178.700 178.053 0.647 18032
5923 1 11 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.138 0.662 18032
5924 1 11 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.709 -0.909 18032
5925 1 11 . 1 1 80 80 LEU H H 80 8.260 8.260 8.579 -0.319 18032
5926 1 11 . 1 1 81 81 ALA N N 81 118.100 118.100 120.216 -2.116 18032
5927 1 11 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.958 -0.088 18032
5928 1 11 . 1 1 81 81 ALA C C 81 177.600 177.600 179.068 -1.468 18032
5929 1 11 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.826 0.374 18032
5930 1 11 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.977 -0.677 18032
5931 1 11 . 1 1 81 81 ALA H H 81 8.580 8.580 7.770 0.810 18032
5932 1 11 . 1 1 82 82 ALA N N 82 119.800 119.800 121.468 -1.668 18032
5933 1 11 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.986 0.224 18032
5934 1 11 . 1 1 82 82 ALA C C 82 180.700 180.700 179.230 1.470 18032
5935 1 11 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.428 0.973 18032
5936 1 11 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.547 -0.647 18032
5937 1 11 . 1 1 82 82 ALA H H 82 7.230 7.230 7.583 -0.353 18032
5938 1 11 . 1 1 83 83 ARG N N 83 118.300 118.300 119.486 -1.186 18032
5939 1 11 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.293 0.047 18032
5940 1 11 . 1 1 83 83 ARG C C 83 180.500 180.500 179.307 1.193 18032
5941 1 11 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.717 -0.217 18032
5942 1 11 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.852 2.048 18032
5943 1 11 . 1 1 83 83 ARG H H 83 8.510 8.510 7.957 0.553 18032
5944 1 11 . 1 1 84 84 ILE N N 84 121.300 121.300 119.667 1.633 18032
5945 1 11 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.574 -0.194 18032
5946 1 11 . 1 1 84 84 ILE C C 84 177.300 177.300 177.545 -0.245 18032
5947 1 11 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.384 0.816 18032
5948 1 11 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.332 0.368 18032
5949 1 11 . 1 1 84 84 ILE H H 84 8.340 8.340 8.270 0.070 18032
5950 1 11 . 1 1 85 85 ASP N N 85 120.200 120.200 119.823 0.377 18032
5951 1 11 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.261 0.149 18032
5952 1 11 . 1 1 85 85 ASP C C 85 180.200 180.200 178.588 1.612 18032
5953 1 11 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.462 0.537 18032
5954 1 11 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.848 -1.348 18032
5955 1 11 . 1 1 85 85 ASP H H 85 8.330 8.330 7.759 0.571 18032
5956 1 11 . 1 1 86 86 GLU N N 86 121.100 121.100 119.832 1.268 18032
5957 1 11 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.026 0.095 18032
5958 1 11 . 1 1 86 86 GLU C C 86 179.800 179.800 179.360 0.440 18032
5959 1 11 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.419 -0.119 18032
5960 1 11 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.756 -0.256 18032
5961 1 11 . 1 1 86 86 GLU H H 86 8.060 8.060 8.111 -0.051 18032
5962 1 11 . 1 1 87 87 LEU N N 87 122.700 122.700 119.154 3.546 18032
5963 1 11 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.077 0.123 18032
5964 1 11 . 1 1 87 87 LEU C C 87 180.500 180.500 179.290 1.210 18032
5965 1 11 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.417 0.783 18032
5966 1 11 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.819 0.281 18032
5967 1 11 . 1 1 87 87 LEU H H 87 8.090 8.090 7.599 0.491 18032
5968 1 11 . 1 1 88 88 VAL N N 88 122.800 122.800 120.384 2.416 18032
5969 1 11 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.730 -0.190 18032
5970 1 11 . 1 1 88 88 VAL C C 88 179.200 179.200 177.865 1.335 18032
5971 1 11 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.437 0.363 18032
5972 1 11 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.265 1.036 18032
5973 1 11 . 1 1 88 88 VAL H H 88 9.030 9.030 8.198 0.832 18032
5974 1 11 . 1 1 89 89 ALA N N 89 122.900 122.900 121.631 1.269 18032
5975 1 11 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.067 0.153 18032
5976 1 11 . 1 1 89 89 ALA C C 89 180.000 180.000 179.454 0.546 18032
5977 1 11 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.075 -0.374 18032
5978 1 11 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.034 -0.034 18032
5979 1 11 . 1 1 89 89 ALA H H 89 8.170 8.170 7.941 0.229 18032
5980 1 11 . 1 1 90 90 ALA N N 90 120.100 120.100 120.812 -0.712 18032
5981 1 11 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.054 0.216 18032
5982 1 11 . 1 1 90 90 ALA C C 90 179.200 179.200 179.189 0.011 18032
5983 1 11 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.924 -1.024 18032
5984 1 11 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.321 0.179 18032
5985 1 11 . 1 1 90 90 ALA H H 90 7.820 7.820 8.069 -0.249 18032
5986 1 11 . 1 1 91 91 LYS N N 91 118.900 118.900 119.225 -0.325 18032
5987 1 11 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.158 0.032 18032
5988 1 11 . 1 1 91 91 LYS C C 91 178.400 178.400 178.768 -0.368 18032
5989 1 11 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.767 0.734 18032
5990 1 11 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.411 -0.011 18032
5991 1 11 . 1 1 91 91 LYS H H 91 7.660 7.660 7.647 0.013 18032
5992 1 11 . 1 1 92 92 GLY N N 92 107.200 107.200 107.199 0.001 18032
5993 1 11 . 1 1 92 92 GLY C C 92 174.700 174.700 174.804 -0.104 18032
5994 1 11 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.854 0.146 18032
5995 1 11 . 1 1 92 92 GLY H H 92 8.090 8.090 8.234 -0.144 18032
5996 1 11 . 1 1 93 93 ALA N N 93 123.300 123.300 121.278 2.022 18032
5997 1 11 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.471 -0.151 18032
5998 1 11 . 1 1 93 93 ALA C C 93 178.300 178.300 176.204 2.096 18032
5999 1 11 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.917 1.183 18032
6000 1 11 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.699 -1.699 18032
6001 1 11 . 1 1 93 93 ALA H H 93 7.900 7.900 7.419 0.481 18032
6002 1 11 . 1 1 94 94 LEU N N 94 119.800 119.800 116.318 3.482 18032
6003 1 11 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.916 0.374 18032
6004 1 11 . 1 1 94 94 LEU C C 94 177.900 177.900 174.679 3.221 18032
6005 1 11 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.125 1.775 18032
6006 1 11 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.952 0.348 18032
6007 1 11 . 1 1 94 94 LEU H H 94 7.940 7.940 7.762 0.178 18032
6008 1 11 . 1 1 95 95 GLU N N 95 120.100 120.100 122.578 -2.478 18032
6009 1 11 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.225 -0.035 18032
6010 1 11 . 1 1 95 95 GLU C C 95 176.500 176.500 175.892 0.608 18032
6011 1 11 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.015 0.885 18032
6012 1 11 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.193 1.007 18032
6013 1 11 . 1 1 95 95 GLU H H 95 8.130 8.130 8.455 -0.325 18032
6014 1 11 . 1 1 96 96 HIS N N 96 119.200 119.200 124.653 -5.453 18032
6015 1 11 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.576 -0.276 18032
6016 1 11 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.366 1.934 18032
6017 1 11 . 1 1 96 96 HIS H H 96 8.160 8.160 8.475 -0.315 18032
6018 1 12 . 1 1 2 2 THR HA H 2 4.580 4.580 4.595 -0.015 18032
6019 1 12 . 1 1 2 2 THR C C 2 174.500 174.500 173.898 0.602 18032
6020 1 12 . 1 1 2 2 THR CA C 2 61.700 61.700 61.885 -0.185 18032
6021 1 12 . 1 1 2 2 THR CB C 2 70.400 70.400 69.858 0.543 18032
6022 1 12 . 1 1 3 3 SER N N 3 120.600 120.600 121.716 -1.116 18032
6023 1 12 . 1 1 3 3 SER HA H 3 4.770 4.770 4.764 0.006 18032
6024 1 12 . 1 1 3 3 SER C C 3 175.100 175.100 175.816 -0.716 18032
6025 1 12 . 1 1 3 3 SER CA C 3 58.300 58.300 57.447 0.853 18032
6026 1 12 . 1 1 3 3 SER CB C 3 65.000 65.000 65.024 -0.024 18032
6027 1 12 . 1 1 3 3 SER H H 3 9.090 9.090 8.601 0.489 18032
6028 1 12 . 1 1 4 4 THR N N 4 120.500 120.500 121.683 -1.183 18032
6029 1 12 . 1 1 4 4 THR HA H 4 4.230 4.230 4.565 -0.335 18032
6030 1 12 . 1 1 4 4 THR C C 4 176.200 176.200 176.843 -0.643 18032
6031 1 12 . 1 1 4 4 THR CA C 4 67.700 67.700 66.616 1.084 18032
6032 1 12 . 1 1 4 4 THR CB C 4 67.500 67.500 69.105 -1.605 18032
6033 1 12 . 1 1 4 4 THR H H 4 8.890 8.890 8.912 -0.022 18032
6034 1 12 . 1 1 5 5 PHE N N 5 121.100 121.100 121.181 -0.081 18032
6035 1 12 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.230 -0.430 18032
6036 1 12 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.436 1.264 18032
6037 1 12 . 1 1 5 5 PHE CB C 5 38.700 38.700 39.082 -0.382 18032
6038 1 12 . 1 1 5 5 PHE H H 5 9.110 9.110 8.145 0.965 18032
6039 1 12 . 1 1 6 6 ASP N N 6 119.800 119.800 118.981 0.819 18032
6040 1 12 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.159 -0.319 18032
6041 1 12 . 1 1 6 6 ASP C C 6 179.200 179.200 177.764 1.436 18032
6042 1 12 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.787 -0.887 18032
6043 1 12 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.474 0.426 18032
6044 1 12 . 1 1 6 6 ASP H H 6 8.120 8.120 8.440 -0.320 18032
6045 1 12 . 1 1 7 7 ARG N N 7 119.200 119.200 119.248 -0.048 18032
6046 1 12 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.080 -0.010 18032
6047 1 12 . 1 1 7 7 ARG C C 7 179.400 179.400 178.836 0.564 18032
6048 1 12 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.614 0.686 18032
6049 1 12 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.810 1.290 18032
6050 1 12 . 1 1 7 7 ARG H H 7 8.020 8.020 7.634 0.386 18032
6051 1 12 . 1 1 8 8 VAL N N 8 120.600 120.600 119.974 0.626 18032
6052 1 12 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.689 -0.179 18032
6053 1 12 . 1 1 8 8 VAL C C 8 176.800 176.800 177.857 -1.057 18032
6054 1 12 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.816 0.184 18032
6055 1 12 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.424 0.176 18032
6056 1 12 . 1 1 8 8 VAL H H 8 8.520 8.520 8.246 0.274 18032
6057 1 12 . 1 1 9 9 ALA N N 9 122.800 122.800 120.456 2.344 18032
6058 1 12 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.861 -0.191 18032
6059 1 12 . 1 1 9 9 ALA C C 9 179.000 179.000 179.710 -0.710 18032
6060 1 12 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.353 0.447 18032
6061 1 12 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.712 -0.512 18032
6062 1 12 . 1 1 9 9 ALA H H 9 8.920 8.920 8.156 0.764 18032
6063 1 12 . 1 1 10 10 THR N N 10 114.300 114.300 115.900 -1.600 18032
6064 1 12 . 1 1 10 10 THR HA H 10 3.800 3.800 4.008 -0.208 18032
6065 1 12 . 1 1 10 10 THR C C 10 175.500 175.500 176.597 -1.097 18032
6066 1 12 . 1 1 10 10 THR CA C 10 67.400 67.400 67.097 0.303 18032
6067 1 12 . 1 1 10 10 THR CB C 10 68.900 68.900 68.508 0.392 18032
6068 1 12 . 1 1 10 10 THR H H 10 7.790 7.790 7.589 0.201 18032
6069 1 12 . 1 1 11 11 ILE N N 11 122.100 122.100 121.797 0.303 18032
6070 1 12 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.667 0.213 18032
6071 1 12 . 1 1 11 11 ILE C C 11 179.700 179.700 177.972 1.728 18032
6072 1 12 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.702 -0.202 18032
6073 1 12 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.620 0.980 18032
6074 1 12 . 1 1 11 11 ILE H H 11 7.760 7.760 8.073 -0.313 18032
6075 1 12 . 1 1 12 12 ILE N N 12 123.100 123.100 120.249 2.851 18032
6076 1 12 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.644 -0.234 18032
6077 1 12 . 1 1 12 12 ILE C C 12 176.800 176.800 177.874 -1.074 18032
6078 1 12 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.403 1.597 18032
6079 1 12 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.494 0.406 18032
6080 1 12 . 1 1 12 12 ILE H H 12 8.750 8.750 7.925 0.825 18032
6081 1 12 . 1 1 13 13 ALA N N 13 122.600 122.600 123.072 -0.472 18032
6082 1 12 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.321 -0.041 18032
6083 1 12 . 1 1 13 13 ALA C C 13 180.700 180.700 179.879 0.821 18032
6084 1 12 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.116 0.584 18032
6085 1 12 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.249 0.351 18032
6086 1 12 . 1 1 13 13 ALA H H 13 8.430 8.430 7.987 0.443 18032
6087 1 12 . 1 1 14 14 GLU N N 14 114.500 114.500 117.571 -3.071 18032
6088 1 12 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.102 0.088 18032
6089 1 12 . 1 1 14 14 GLU C C 14 179.100 179.100 179.269 -0.169 18032
6090 1 12 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.559 -0.159 18032
6091 1 12 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.413 0.587 18032
6092 1 12 . 1 1 14 14 GLU H H 14 8.290 8.290 8.021 0.269 18032
6093 1 12 . 1 1 15 15 THR N N 15 115.500 115.500 114.674 0.826 18032
6094 1 12 . 1 1 15 15 THR HA H 15 4.080 4.080 4.096 -0.016 18032
6095 1 12 . 1 1 15 15 THR C C 15 176.200 176.200 175.936 0.264 18032
6096 1 12 . 1 1 15 15 THR CA C 15 66.500 66.500 65.448 1.052 18032
6097 1 12 . 1 1 15 15 THR CB C 15 69.400 69.400 69.278 0.122 18032
6098 1 12 . 1 1 15 15 THR H H 15 8.390 8.390 8.375 0.015 18032
6099 1 12 . 1 1 16 16 CYS N N 16 116.000 116.000 118.804 -2.804 18032
6100 1 12 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.673 -0.103 18032
6101 1 12 . 1 1 16 16 CYS C C 16 173.700 173.700 174.071 -0.371 18032
6102 1 12 . 1 1 16 16 CYS CA C 16 59.200 59.200 57.943 1.257 18032
6103 1 12 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.900 0.700 18032
6104 1 12 . 1 1 16 16 CYS H H 16 8.130 8.130 7.909 0.221 18032
6105 1 12 . 1 1 17 17 ASP N N 17 119.900 119.900 120.832 -0.932 18032
6106 1 12 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.449 -0.039 18032
6107 1 12 . 1 1 17 17 ASP C C 17 174.700 174.700 174.555 0.145 18032
6108 1 12 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.099 0.101 18032
6109 1 12 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.542 -0.642 18032
6110 1 12 . 1 1 17 17 ASP H H 17 7.740 7.740 7.925 -0.185 18032
6111 1 12 . 1 1 18 18 ILE N N 18 119.100 119.100 120.662 -1.562 18032
6112 1 12 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.508 0.082 18032
6113 1 12 . 1 1 18 18 ILE C C 18 179.400 179.400 174.555 4.845 18032
6114 1 12 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.510 0.291 18032
6115 1 12 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.090 2.909 18032
6116 1 12 . 1 1 18 18 ILE H H 18 7.410 7.410 7.559 -0.149 18032
6117 1 12 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.464 -0.094 18032
6118 1 12 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.258 -0.158 18032
6119 1 12 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.465 -0.365 18032
6120 1 12 . 1 1 20 20 ARG N N 20 129.100 129.100 125.882 3.218 18032
6121 1 12 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.880 -0.020 18032
6122 1 12 . 1 1 20 20 ARG C C 20 178.500 178.500 178.545 -0.045 18032
6123 1 12 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.191 -0.391 18032
6124 1 12 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.796 -0.296 18032
6125 1 12 . 1 1 20 20 ARG H H 20 9.150 9.150 8.898 0.252 18032
6126 1 12 . 1 1 21 21 GLU N N 21 117.300 117.300 117.447 -0.147 18032
6127 1 12 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.174 0.126 18032
6128 1 12 . 1 1 21 21 GLU C C 21 177.200 177.200 177.485 -0.285 18032
6129 1 12 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.631 -0.031 18032
6130 1 12 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.983 -0.483 18032
6131 1 12 . 1 1 21 21 GLU H H 21 9.820 9.820 8.782 1.038 18032
6132 1 12 . 1 1 22 22 THR N N 22 110.200 110.200 110.250 -0.050 18032
6133 1 12 . 1 1 22 22 THR HA H 22 4.340 4.340 4.334 0.006 18032
6134 1 12 . 1 1 22 22 THR C C 22 173.000 173.000 174.639 -1.639 18032
6135 1 12 . 1 1 22 22 THR CA C 22 62.300 62.300 62.364 -0.064 18032
6136 1 12 . 1 1 22 22 THR CB C 22 70.000 70.000 69.606 0.394 18032
6137 1 12 . 1 1 22 22 THR H H 22 7.780 7.780 7.753 0.027 18032
6138 1 12 . 1 1 23 23 ILE N N 23 122.600 122.600 126.093 -3.493 18032
6139 1 12 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.253 -0.253 18032
6140 1 12 . 1 1 23 23 ILE C C 23 174.700 174.700 175.407 -0.707 18032
6141 1 12 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.257 1.343 18032
6142 1 12 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.552 1.948 18032
6143 1 12 . 1 1 23 23 ILE H H 23 7.590 7.590 7.354 0.236 18032
6144 1 12 . 1 1 24 24 THR N N 24 118.600 118.600 119.492 -0.892 18032
6145 1 12 . 1 1 24 24 THR HA H 24 5.290 5.290 5.033 0.257 18032
6146 1 12 . 1 1 24 24 THR CA C 24 59.000 59.000 59.049 -0.049 18032
6147 1 12 . 1 1 24 24 THR CB C 24 69.800 69.800 69.655 0.145 18032
6148 1 12 . 1 1 24 24 THR H H 24 8.580 8.580 8.214 0.366 18032
6149 1 12 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.925 -0.155 18032
6150 1 12 . 1 1 25 25 PRO C C 25 176.200 176.200 177.173 -0.973 18032
6151 1 12 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.628 0.272 18032
6152 1 12 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.406 0.394 18032
6153 1 12 . 1 1 26 26 GLU N N 26 110.900 110.900 114.080 -3.180 18032
6154 1 12 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.360 -0.190 18032
6155 1 12 . 1 1 26 26 GLU C C 26 176.900 176.900 176.535 0.365 18032
6156 1 12 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.884 0.416 18032
6157 1 12 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.767 0.733 18032
6158 1 12 . 1 1 26 26 GLU H H 26 7.380 7.380 8.499 -1.119 18032
6159 1 12 . 1 1 27 27 SER N N 27 118.100 118.100 116.087 2.013 18032
6160 1 12 . 1 1 27 27 SER HA H 27 4.300 4.300 4.483 -0.183 18032
6161 1 12 . 1 1 27 27 SER C C 27 172.100 172.100 173.090 -0.990 18032
6162 1 12 . 1 1 27 27 SER CA C 27 61.000 61.000 58.728 2.272 18032
6163 1 12 . 1 1 27 27 SER CB C 27 64.200 64.200 64.027 0.173 18032
6164 1 12 . 1 1 27 27 SER H H 27 8.040 8.040 7.547 0.493 18032
6165 1 12 . 1 1 28 28 HIS N N 28 128.200 128.200 126.541 1.659 18032
6166 1 12 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.830 -0.090 18032
6167 1 12 . 1 1 28 28 HIS C C 28 178.200 178.200 176.108 2.092 18032
6168 1 12 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.110 0.190 18032
6169 1 12 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.044 1.556 18032
6170 1 12 . 1 1 28 28 HIS H H 28 10.680 10.680 8.932 1.748 18032
6171 1 12 . 1 1 29 29 ALA N N 29 130.100 130.100 131.426 -1.326 18032
6172 1 12 . 1 1 29 29 ALA HA H 29 3.950 3.950 3.976 -0.026 18032
6173 1 12 . 1 1 29 29 ALA C C 29 175.700 175.700 178.162 -2.462 18032
6174 1 12 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.521 0.379 18032
6175 1 12 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.704 0.096 18032
6176 1 12 . 1 1 29 29 ALA H H 29 9.270 9.270 8.740 0.530 18032
6177 1 12 . 1 1 30 30 ILE N N 30 113.300 113.300 113.790 -0.490 18032
6178 1 12 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.248 -0.038 18032
6179 1 12 . 1 1 30 30 ILE C C 30 177.200 177.200 176.785 0.415 18032
6180 1 12 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.027 -0.127 18032
6181 1 12 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.932 0.168 18032
6182 1 12 . 1 1 30 30 ILE H H 30 8.540 8.540 7.345 1.195 18032
6183 1 12 . 1 1 31 31 ASP N N 31 120.600 120.600 118.815 1.785 18032
6184 1 12 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.671 -0.491 18032
6185 1 12 . 1 1 31 31 ASP CA C 31 57.500 57.500 54.441 3.059 18032
6186 1 12 . 1 1 31 31 ASP CB C 31 40.000 40.000 40.519 -0.519 18032
6187 1 12 . 1 1 31 31 ASP H H 31 8.480 8.480 8.460 0.020 18032
6188 1 12 . 1 1 32 32 ASP N N 32 114.200 114.200 118.473 -4.273 18032
6189 1 12 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.648 0.412 18032
6190 1 12 . 1 1 32 32 ASP C C 32 177.500 177.500 176.867 0.633 18032
6191 1 12 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.099 0.901 18032
6192 1 12 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.879 0.321 18032
6193 1 12 . 1 1 32 32 ASP H H 32 8.450 8.450 7.702 0.748 18032
6194 1 12 . 1 1 33 33 LEU N N 33 114.000 114.000 120.781 -6.781 18032
6195 1 12 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.306 0.164 18032
6196 1 12 . 1 1 33 33 LEU C C 33 177.400 177.400 178.189 -0.789 18032
6197 1 12 . 1 1 33 33 LEU CA C 33 54.900 54.900 56.099 -1.199 18032
6198 1 12 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.734 -1.534 18032
6199 1 12 . 1 1 33 33 LEU H H 33 7.230 7.230 7.842 -0.612 18032
6200 1 12 . 1 1 34 34 GLY N N 34 107.000 107.000 107.481 -0.481 18032
6201 1 12 . 1 1 34 34 GLY C C 34 174.500 174.500 174.305 0.195 18032
6202 1 12 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.515 1.385 18032
6203 1 12 . 1 1 34 34 GLY H H 34 7.330 7.330 8.312 -0.982 18032
6204 1 12 . 1 1 35 35 ILE N N 35 120.700 120.700 120.386 0.314 18032
6205 1 12 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.272 -0.162 18032
6206 1 12 . 1 1 35 35 ILE C C 35 175.300 175.300 174.757 0.543 18032
6207 1 12 . 1 1 35 35 ILE CA C 35 62.000 62.000 59.973 2.027 18032
6208 1 12 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.404 -1.504 18032
6209 1 12 . 1 1 35 35 ILE H H 35 7.820 7.820 7.971 -0.151 18032
6210 1 12 . 1 1 36 36 ASP N N 36 126.800 126.800 127.513 -0.713 18032
6211 1 12 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.590 0.250 18032
6212 1 12 . 1 1 36 36 ASP C C 36 177.100 177.100 177.020 0.080 18032
6213 1 12 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.841 -2.241 18032
6214 1 12 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.300 0.200 18032
6215 1 12 . 1 1 36 36 ASP H H 36 8.780 8.780 8.354 0.426 18032
6216 1 12 . 1 1 37 37 SER N N 37 114.000 114.000 116.061 -2.061 18032
6217 1 12 . 1 1 37 37 SER HA H 37 4.170 4.170 4.401 -0.231 18032
6218 1 12 . 1 1 37 37 SER C C 37 175.700 175.700 176.397 -0.697 18032
6219 1 12 . 1 1 37 37 SER CA C 37 60.700 60.700 61.691 -0.991 18032
6220 1 12 . 1 1 37 37 SER CB C 37 65.800 65.800 62.848 2.952 18032
6221 1 12 . 1 1 37 37 SER H H 37 8.750 8.750 8.486 0.264 18032
6222 1 12 . 1 1 38 38 LEU N N 38 123.200 123.200 121.285 1.915 18032
6223 1 12 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.174 0.046 18032
6224 1 12 . 1 1 38 38 LEU C C 38 180.200 180.200 179.063 1.137 18032
6225 1 12 . 1 1 38 38 LEU CA C 38 57.800 57.800 58.018 -0.218 18032
6226 1 12 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.698 0.302 18032
6227 1 12 . 1 1 38 38 LEU H H 38 8.030 8.030 8.273 -0.243 18032
6228 1 12 . 1 1 39 39 ASP N N 39 121.500 121.500 119.069 2.431 18032
6229 1 12 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.564 -0.124 18032
6230 1 12 . 1 1 39 39 ASP C C 39 179.000 179.000 178.715 0.285 18032
6231 1 12 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.327 -0.127 18032
6232 1 12 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.698 0.502 18032
6233 1 12 . 1 1 39 39 ASP H H 39 8.390 8.390 7.732 0.658 18032
6234 1 12 . 1 1 40 40 PHE N N 40 118.900 118.900 121.383 -2.483 18032
6235 1 12 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.498 -0.448 18032
6236 1 12 . 1 1 40 40 PHE C C 40 177.500 177.500 176.565 0.935 18032
6237 1 12 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.184 1.616 18032
6238 1 12 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.475 -1.075 18032
6239 1 12 . 1 1 40 40 PHE H H 40 8.640 8.640 8.097 0.543 18032
6240 1 12 . 1 1 41 41 LEU N N 41 118.800 118.800 119.989 -1.189 18032
6241 1 12 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.660 0.320 18032
6242 1 12 . 1 1 41 41 LEU C C 41 179.300 179.300 178.294 1.006 18032
6243 1 12 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.043 0.357 18032
6244 1 12 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.204 -0.204 18032
6245 1 12 . 1 1 41 41 LEU H H 41 7.660 7.660 8.339 -0.679 18032
6246 1 12 . 1 1 42 42 ASP N N 42 119.700 119.700 119.744 -0.044 18032
6247 1 12 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.786 -0.196 18032
6248 1 12 . 1 1 42 42 ASP C C 42 179.800 179.800 178.707 1.093 18032
6249 1 12 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.682 -0.082 18032
6250 1 12 . 1 1 42 42 ASP CB C 42 40.300 40.300 41.033 -0.733 18032
6251 1 12 . 1 1 42 42 ASP H H 42 7.320 7.320 7.696 -0.376 18032
6252 1 12 . 1 1 43 43 ILE N N 43 122.700 122.700 119.656 3.044 18032
6253 1 12 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.732 -0.212 18032
6254 1 12 . 1 1 43 43 ILE C C 43 177.100 177.100 177.945 -0.845 18032
6255 1 12 . 1 1 43 43 ILE CA C 43 65.200 65.200 65.047 0.152 18032
6256 1 12 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.923 -0.023 18032
6257 1 12 . 1 1 43 43 ILE H H 43 8.090 8.090 7.870 0.220 18032
6258 1 12 . 1 1 44 44 ALA N N 44 122.600 122.600 122.491 0.109 18032
6259 1 12 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.936 -0.076 18032
6260 1 12 . 1 1 44 44 ALA C C 44 178.500 178.500 179.330 -0.830 18032
6261 1 12 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.599 1.101 18032
6262 1 12 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.750 0.550 18032
6263 1 12 . 1 1 44 44 ALA H H 44 8.830 8.830 7.454 1.376 18032
6264 1 12 . 1 1 45 45 PHE N N 45 117.300 117.300 119.501 -2.201 18032
6265 1 12 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.205 0.295 18032
6266 1 12 . 1 1 45 45 PHE C C 45 178.300 178.300 177.855 0.445 18032
6267 1 12 . 1 1 45 45 PHE CA C 45 60.600 60.600 60.862 -0.262 18032
6268 1 12 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.359 0.341 18032
6269 1 12 . 1 1 45 45 PHE H H 45 8.090 8.090 8.149 -0.059 18032
6270 1 12 . 1 1 46 46 ALA N N 46 121.600 121.600 122.115 -0.515 18032
6271 1 12 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.107 0.063 18032
6272 1 12 . 1 1 46 46 ALA C C 46 181.400 181.400 179.745 1.655 18032
6273 1 12 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.083 -0.083 18032
6274 1 12 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.070 1.130 18032
6275 1 12 . 1 1 46 46 ALA H H 46 7.780 7.780 7.847 -0.067 18032
6276 1 12 . 1 1 47 47 ILE N N 47 122.900 122.900 119.584 3.316 18032
6277 1 12 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.850 -0.070 18032
6278 1 12 . 1 1 47 47 ILE C C 47 177.000 177.000 177.824 -0.824 18032
6279 1 12 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.772 0.228 18032
6280 1 12 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.749 0.251 18032
6281 1 12 . 1 1 47 47 ILE H H 47 8.960 8.960 7.707 1.253 18032
6282 1 12 . 1 1 48 48 ASP N N 48 123.900 123.900 120.259 3.641 18032
6283 1 12 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.440 -0.070 18032
6284 1 12 . 1 1 48 48 ASP C C 48 180.200 180.200 179.105 1.095 18032
6285 1 12 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.587 0.114 18032
6286 1 12 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.031 0.269 18032
6287 1 12 . 1 1 48 48 ASP H H 48 8.950 8.950 8.401 0.549 18032
6288 1 12 . 1 1 49 49 LYS N N 49 117.500 117.500 119.597 -2.097 18032
6289 1 12 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.089 -0.069 18032
6290 1 12 . 1 1 49 49 LYS C C 49 178.800 178.800 178.953 -0.153 18032
6291 1 12 . 1 1 49 49 LYS CA C 49 58.600 58.600 59.123 -0.523 18032
6292 1 12 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.547 0.053 18032
6293 1 12 . 1 1 49 49 LYS H H 49 7.590 7.590 7.683 -0.093 18032
6294 1 12 . 1 1 50 50 ALA N N 50 121.100 121.100 121.982 -0.882 18032
6295 1 12 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.098 -0.068 18032
6296 1 12 . 1 1 50 50 ALA C C 50 179.400 179.400 179.121 0.279 18032
6297 1 12 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.429 0.171 18032
6298 1 12 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.661 0.439 18032
6299 1 12 . 1 1 50 50 ALA H H 50 8.180 8.180 7.817 0.363 18032
6300 1 12 . 1 1 51 51 PHE N N 51 111.600 111.600 114.768 -3.168 18032
6301 1 12 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.486 0.054 18032
6302 1 12 . 1 1 51 51 PHE C C 51 176.200 176.200 175.885 0.315 18032
6303 1 12 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.505 -0.105 18032
6304 1 12 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.644 0.856 18032
6305 1 12 . 1 1 51 51 PHE H H 51 8.620 8.620 8.153 0.467 18032
6306 1 12 . 1 1 52 52 GLY N N 52 112.100 112.100 107.674 4.426 18032
6307 1 12 . 1 1 52 52 GLY C C 52 174.900 174.900 174.252 0.648 18032
6308 1 12 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.806 1.694 18032
6309 1 12 . 1 1 52 52 GLY H H 52 8.140 8.140 7.788 0.352 18032
6310 1 12 . 1 1 53 53 ILE N N 53 111.000 111.000 112.717 -1.717 18032
6311 1 12 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.646 0.024 18032
6312 1 12 . 1 1 53 53 ILE C C 53 173.500 173.500 173.254 0.246 18032
6313 1 12 . 1 1 53 53 ILE CA C 53 58.600 58.600 59.160 -0.560 18032
6314 1 12 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.349 2.551 18032
6315 1 12 . 1 1 53 53 ILE H H 53 7.520 7.520 7.869 -0.349 18032
6316 1 12 . 1 1 54 54 LYS N N 54 119.600 119.600 119.672 -0.072 18032
6317 1 12 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.614 -0.004 18032
6318 1 12 . 1 1 54 54 LYS C C 54 175.900 175.900 175.271 0.629 18032
6319 1 12 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.638 -1.338 18032
6320 1 12 . 1 1 54 54 LYS CB C 54 33.000 33.000 34.955 -1.955 18032
6321 1 12 . 1 1 54 54 LYS H H 54 7.940 7.940 8.145 -0.205 18032
6322 1 12 . 1 1 55 55 LEU N N 55 130.800 130.800 126.543 4.257 18032
6323 1 12 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.472 -0.622 18032
6324 1 12 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.535 0.765 18032
6325 1 12 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.575 0.425 18032
6326 1 12 . 1 1 55 55 LEU H H 55 10.700 10.700 8.311 2.389 18032
6327 1 12 . 1 1 56 56 PRO HA H 56 4.600 4.600 3.989 0.611 18032
6328 1 12 . 1 1 56 56 PRO C C 56 174.600 174.600 175.679 -1.079 18032
6329 1 12 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.476 -0.976 18032
6330 1 12 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.300 -1.800 18032
6331 1 12 . 1 1 57 57 LEU N N 57 121.300 121.300 121.451 -0.151 18032
6332 1 12 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.722 -0.312 18032
6333 1 12 . 1 1 57 57 LEU C C 57 179.100 179.100 177.977 1.123 18032
6334 1 12 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.837 0.364 18032
6335 1 12 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.726 0.374 18032
6336 1 12 . 1 1 57 57 LEU H H 57 7.490 7.490 7.630 -0.140 18032
6337 1 12 . 1 1 58 58 GLU N N 58 119.200 119.200 118.387 0.813 18032
6338 1 12 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.902 0.078 18032
6339 1 12 . 1 1 58 58 GLU C C 58 178.500 178.500 178.381 0.119 18032
6340 1 12 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.847 0.053 18032
6341 1 12 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.901 -0.201 18032
6342 1 12 . 1 1 58 58 GLU H H 58 8.860 8.860 8.466 0.394 18032
6343 1 12 . 1 1 59 59 LYS N N 59 122.100 122.100 120.862 1.238 18032
6344 1 12 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.103 -0.003 18032
6345 1 12 . 1 1 59 59 LYS C C 59 178.700 178.700 178.784 -0.084 18032
6346 1 12 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.228 -0.328 18032
6347 1 12 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.997 0.203 18032
6348 1 12 . 1 1 59 59 LYS H H 59 7.420 7.420 7.925 -0.505 18032
6349 1 12 . 1 1 60 60 TRP N N 60 120.000 120.000 118.117 1.883 18032
6350 1 12 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.226 -0.026 18032
6351 1 12 . 1 1 60 60 TRP C C 60 178.300 178.300 179.265 -0.965 18032
6352 1 12 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.491 0.209 18032
6353 1 12 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.987 0.613 18032
6354 1 12 . 1 1 60 60 TRP H H 60 8.140 8.140 7.723 0.417 18032
6355 1 12 . 1 1 61 61 THR N N 61 113.200 113.200 116.109 -2.909 18032
6356 1 12 . 1 1 61 61 THR HA H 61 3.870 3.870 4.036 -0.166 18032
6357 1 12 . 1 1 61 61 THR C C 61 176.300 176.300 176.875 -0.575 18032
6358 1 12 . 1 1 61 61 THR CA C 61 67.100 67.100 67.231 -0.131 18032
6359 1 12 . 1 1 61 61 THR CB C 61 68.900 68.900 68.566 0.334 18032
6360 1 12 . 1 1 61 61 THR H H 61 8.390 8.390 8.267 0.123 18032
6361 1 12 . 1 1 62 62 GLN N N 62 122.300 122.300 120.774 1.526 18032
6362 1 12 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.148 -0.108 18032
6363 1 12 . 1 1 62 62 GLN C C 62 177.900 177.900 178.388 -0.488 18032
6364 1 12 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.161 -0.161 18032
6365 1 12 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.681 -0.581 18032
6366 1 12 . 1 1 62 62 GLN H H 62 7.810 7.810 7.857 -0.047 18032
6367 1 12 . 1 1 63 63 GLU N N 63 119.000 119.000 120.641 -1.641 18032
6368 1 12 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.089 -0.019 18032
6369 1 12 . 1 1 63 63 GLU C C 63 180.000 180.000 179.454 0.546 18032
6370 1 12 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.540 0.660 18032
6371 1 12 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.713 0.687 18032
6372 1 12 . 1 1 63 63 GLU H H 63 8.410 8.410 8.108 0.302 18032
6373 1 12 . 1 1 64 64 VAL N N 64 119.600 119.600 120.651 -1.051 18032
6374 1 12 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.059 0.061 18032
6375 1 12 . 1 1 64 64 VAL C C 64 180.600 180.600 178.671 1.929 18032
6376 1 12 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.647 -1.247 18032
6377 1 12 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.881 0.018 18032
6378 1 12 . 1 1 64 64 VAL H H 64 8.170 8.170 8.265 -0.095 18032
6379 1 12 . 1 1 65 65 ASN N N 65 121.700 121.700 118.128 3.572 18032
6380 1 12 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.581 -0.071 18032
6381 1 12 . 1 1 65 65 ASN C C 65 177.300 177.300 176.611 0.689 18032
6382 1 12 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.838 0.462 18032
6383 1 12 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.298 -0.198 18032
6384 1 12 . 1 1 65 65 ASN H H 65 8.550 8.550 8.026 0.524 18032
6385 1 12 . 1 1 66 66 ASP N N 66 118.000 118.000 117.993 0.007 18032
6386 1 12 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.754 0.016 18032
6387 1 12 . 1 1 66 66 ASP C C 66 177.000 177.000 176.772 0.228 18032
6388 1 12 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.742 1.058 18032
6389 1 12 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.266 0.034 18032
6390 1 12 . 1 1 66 66 ASP H H 66 8.470 8.470 7.975 0.495 18032
6391 1 12 . 1 1 67 67 GLY N N 67 108.600 108.600 107.856 0.744 18032
6392 1 12 . 1 1 67 67 GLY C C 67 174.800 174.800 175.790 -0.990 18032
6393 1 12 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.890 0.110 18032
6394 1 12 . 1 1 67 67 GLY H H 67 8.100 8.100 7.710 0.390 18032
6395 1 12 . 1 1 68 68 LYS N N 68 118.900 118.900 119.338 -0.438 18032
6396 1 12 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.202 0.108 18032
6397 1 12 . 1 1 68 68 LYS C C 68 175.100 175.100 176.860 -1.760 18032
6398 1 12 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.147 -0.747 18032
6399 1 12 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.021 0.479 18032
6400 1 12 . 1 1 68 68 LYS H H 68 8.400 8.400 8.094 0.306 18032
6401 1 12 . 1 1 69 69 ALA N N 69 120.400 120.400 120.822 -0.422 18032
6402 1 12 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.739 -0.109 18032
6403 1 12 . 1 1 69 69 ALA C C 69 175.900 175.900 175.635 0.265 18032
6404 1 12 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.042 -0.542 18032
6405 1 12 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.000 3.001 18032
6406 1 12 . 1 1 69 69 ALA H H 69 7.490 7.490 7.626 -0.136 18032
6407 1 12 . 1 1 70 70 THR N N 70 109.700 109.700 110.569 -0.869 18032
6408 1 12 . 1 1 70 70 THR HA H 70 4.750 4.750 4.472 0.278 18032
6409 1 12 . 1 1 70 70 THR C C 70 175.600 175.600 176.115 -0.515 18032
6410 1 12 . 1 1 70 70 THR CA C 70 59.600 59.600 60.955 -1.355 18032
6411 1 12 . 1 1 70 70 THR CB C 70 70.700 70.700 70.306 0.394 18032
6412 1 12 . 1 1 70 70 THR H H 70 7.930 7.930 8.083 -0.153 18032
6413 1 12 . 1 1 71 71 THR N N 71 111.300 111.300 113.503 -2.203 18032
6414 1 12 . 1 1 71 71 THR HA H 71 4.110 4.110 4.239 -0.129 18032
6415 1 12 . 1 1 71 71 THR C C 71 177.500 177.500 176.770 0.730 18032
6416 1 12 . 1 1 71 71 THR CA C 71 65.100 65.100 65.728 -0.628 18032
6417 1 12 . 1 1 71 71 THR CB C 71 68.900 68.900 68.713 0.187 18032
6418 1 12 . 1 1 71 71 THR H H 71 9.030 9.030 8.554 0.476 18032
6419 1 12 . 1 1 72 72 GLU N N 72 122.300 122.300 121.577 0.723 18032
6420 1 12 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.063 -0.203 18032
6421 1 12 . 1 1 72 72 GLU C C 72 177.500 177.500 178.867 -1.367 18032
6422 1 12 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.723 0.177 18032
6423 1 12 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.057 -0.057 18032
6424 1 12 . 1 1 72 72 GLU H H 72 8.830 8.830 8.607 0.223 18032
6425 1 12 . 1 1 73 73 GLN N N 73 116.900 116.900 116.620 0.280 18032
6426 1 12 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.835 -0.205 18032
6427 1 12 . 1 1 73 73 GLN C C 73 174.000 174.000 176.701 -2.701 18032
6428 1 12 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.070 -0.070 18032
6429 1 12 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.606 -0.006 18032
6430 1 12 . 1 1 73 73 GLN H H 73 7.280 7.280 7.712 -0.432 18032
6431 1 12 . 1 1 74 74 TYR N N 74 112.700 112.700 112.628 0.072 18032
6432 1 12 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.309 -0.229 18032
6433 1 12 . 1 1 74 74 TYR C C 74 173.900 173.900 175.288 -1.388 18032
6434 1 12 . 1 1 74 74 TYR CA C 74 56.800 56.800 56.673 0.127 18032
6435 1 12 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.303 0.997 18032
6436 1 12 . 1 1 74 74 TYR H H 74 6.310 6.310 7.331 -1.021 18032
6437 1 12 . 1 1 75 75 PHE N N 75 108.000 108.000 116.501 -8.501 18032
6438 1 12 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.416 0.244 18032
6439 1 12 . 1 1 75 75 PHE C C 75 177.900 177.900 173.335 4.565 18032
6440 1 12 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.427 -0.027 18032
6441 1 12 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.188 -0.488 18032
6442 1 12 . 1 1 75 75 PHE H H 75 7.760 7.760 7.932 -0.172 18032
6443 1 12 . 1 1 76 76 VAL N N 76 120.700 120.700 120.805 -0.105 18032
6444 1 12 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.656 0.114 18032
6445 1 12 . 1 1 76 76 VAL C C 76 180.000 180.000 176.846 3.154 18032
6446 1 12 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.267 1.633 18032
6447 1 12 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.425 -1.224 18032
6448 1 12 . 1 1 76 76 VAL H H 76 7.010 7.010 7.808 -0.798 18032
6449 1 12 . 1 1 77 77 LEU N N 77 131.600 131.600 127.557 4.043 18032
6450 1 12 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.049 -0.019 18032
6451 1 12 . 1 1 77 77 LEU C C 77 179.000 179.000 178.776 0.224 18032
6452 1 12 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.667 0.433 18032
6453 1 12 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.278 -0.278 18032
6454 1 12 . 1 1 77 77 LEU H H 77 8.860 8.860 8.735 0.125 18032
6455 1 12 . 1 1 78 78 LYS N N 78 116.700 116.700 119.229 -2.529 18032
6456 1 12 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.926 0.284 18032
6457 1 12 . 1 1 78 78 LYS C C 78 178.000 178.000 178.655 -0.655 18032
6458 1 12 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.259 -0.159 18032
6459 1 12 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.622 -0.522 18032
6460 1 12 . 1 1 78 78 LYS H H 78 9.540 9.540 8.146 1.394 18032
6461 1 12 . 1 1 79 79 ASN N N 79 121.500 121.500 119.118 2.382 18032
6462 1 12 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.474 0.176 18032
6463 1 12 . 1 1 79 79 ASN C C 79 176.200 176.200 177.522 -1.322 18032
6464 1 12 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.248 -0.648 18032
6465 1 12 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.984 -0.784 18032
6466 1 12 . 1 1 79 79 ASN H H 79 7.340 7.340 7.645 -0.305 18032
6467 1 12 . 1 1 80 80 LEU N N 80 124.300 124.300 122.508 1.792 18032
6468 1 12 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.066 -0.036 18032
6469 1 12 . 1 1 80 80 LEU C C 80 178.700 178.700 177.453 1.247 18032
6470 1 12 . 1 1 80 80 LEU CA C 80 58.800 58.800 57.953 0.847 18032
6471 1 12 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.632 -0.832 18032
6472 1 12 . 1 1 80 80 LEU H H 80 8.260 8.260 8.210 0.050 18032
6473 1 12 . 1 1 81 81 ALA N N 81 118.100 118.100 120.450 -2.350 18032
6474 1 12 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.970 -0.100 18032
6475 1 12 . 1 1 81 81 ALA C C 81 177.600 177.600 179.481 -1.881 18032
6476 1 12 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.010 0.190 18032
6477 1 12 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.934 -0.634 18032
6478 1 12 . 1 1 81 81 ALA H H 81 8.580 8.580 8.102 0.478 18032
6479 1 12 . 1 1 82 82 ALA N N 82 119.800 119.800 121.346 -1.546 18032
6480 1 12 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.039 0.171 18032
6481 1 12 . 1 1 82 82 ALA C C 82 180.700 180.700 179.639 1.061 18032
6482 1 12 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.785 0.615 18032
6483 1 12 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.268 -0.368 18032
6484 1 12 . 1 1 82 82 ALA H H 82 7.230 7.230 7.611 -0.381 18032
6485 1 12 . 1 1 83 83 ARG N N 83 118.300 118.300 119.050 -0.750 18032
6486 1 12 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.314 0.026 18032
6487 1 12 . 1 1 83 83 ARG C C 83 180.500 180.500 179.274 1.226 18032
6488 1 12 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.996 -0.496 18032
6489 1 12 . 1 1 83 83 ARG CB C 83 31.900 31.900 30.037 1.863 18032
6490 1 12 . 1 1 83 83 ARG H H 83 8.510 8.510 7.772 0.738 18032
6491 1 12 . 1 1 84 84 ILE N N 84 121.300 121.300 120.229 1.071 18032
6492 1 12 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.550 -0.170 18032
6493 1 12 . 1 1 84 84 ILE C C 84 177.300 177.300 177.189 0.111 18032
6494 1 12 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.577 0.623 18032
6495 1 12 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.561 0.139 18032
6496 1 12 . 1 1 84 84 ILE H H 84 8.340 8.340 8.079 0.261 18032
6497 1 12 . 1 1 85 85 ASP N N 85 120.200 120.200 119.401 0.799 18032
6498 1 12 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.303 0.107 18032
6499 1 12 . 1 1 85 85 ASP C C 85 180.200 180.200 178.498 1.702 18032
6500 1 12 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.294 0.706 18032
6501 1 12 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.731 -1.231 18032
6502 1 12 . 1 1 85 85 ASP H H 85 8.330 8.330 7.731 0.599 18032
6503 1 12 . 1 1 86 86 GLU N N 86 121.100 121.100 120.082 1.018 18032
6504 1 12 . 1 1 86 86 GLU HA H 86 4.120 4.120 3.895 0.225 18032
6505 1 12 . 1 1 86 86 GLU C C 86 179.800 179.800 178.881 0.919 18032
6506 1 12 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.531 -0.231 18032
6507 1 12 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.729 -0.229 18032
6508 1 12 . 1 1 86 86 GLU H H 86 8.060 8.060 7.843 0.217 18032
6509 1 12 . 1 1 87 87 LEU N N 87 122.700 122.700 119.352 3.348 18032
6510 1 12 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.085 0.115 18032
6511 1 12 . 1 1 87 87 LEU C C 87 180.500 180.500 179.450 1.050 18032
6512 1 12 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.490 0.710 18032
6513 1 12 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.928 0.172 18032
6514 1 12 . 1 1 87 87 LEU H H 87 8.090 8.090 7.613 0.477 18032
6515 1 12 . 1 1 88 88 VAL N N 88 122.800 122.800 119.160 3.640 18032
6516 1 12 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.651 -0.111 18032
6517 1 12 . 1 1 88 88 VAL C C 88 179.200 179.200 177.914 1.286 18032
6518 1 12 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.448 0.352 18032
6519 1 12 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.650 0.650 18032
6520 1 12 . 1 1 88 88 VAL H H 88 9.030 9.030 8.134 0.896 18032
6521 1 12 . 1 1 89 89 ALA N N 89 122.900 122.900 122.700 0.200 18032
6522 1 12 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.070 0.150 18032
6523 1 12 . 1 1 89 89 ALA C C 89 180.000 180.000 179.247 0.753 18032
6524 1 12 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.237 -0.537 18032
6525 1 12 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.126 -0.126 18032
6526 1 12 . 1 1 89 89 ALA H H 89 8.170 8.170 7.880 0.290 18032
6527 1 12 . 1 1 90 90 ALA N N 90 120.100 120.100 120.029 0.071 18032
6528 1 12 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.095 0.175 18032
6529 1 12 . 1 1 90 90 ALA C C 90 179.200 179.200 178.702 0.498 18032
6530 1 12 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.655 -0.755 18032
6531 1 12 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.515 -0.015 18032
6532 1 12 . 1 1 90 90 ALA H H 90 7.820 7.820 8.066 -0.246 18032
6533 1 12 . 1 1 91 91 LYS N N 91 118.900 118.900 118.170 0.730 18032
6534 1 12 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.224 -0.034 18032
6535 1 12 . 1 1 91 91 LYS C C 91 178.400 178.400 179.234 -0.834 18032
6536 1 12 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.639 -0.139 18032
6537 1 12 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.563 -0.163 18032
6538 1 12 . 1 1 91 91 LYS H H 91 7.660 7.660 7.620 0.040 18032
6539 1 12 . 1 1 92 92 GLY N N 92 107.200 107.200 107.204 -0.004 18032
6540 1 12 . 1 1 92 92 GLY C C 92 174.700 174.700 175.568 -0.868 18032
6541 1 12 . 1 1 92 92 GLY CA C 92 46.000 46.000 46.111 -0.111 18032
6542 1 12 . 1 1 92 92 GLY H H 92 8.090 8.090 8.117 -0.027 18032
6543 1 12 . 1 1 93 93 ALA N N 93 123.300 123.300 122.522 0.778 18032
6544 1 12 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.599 -0.279 18032
6545 1 12 . 1 1 93 93 ALA C C 93 178.300 178.300 177.017 1.283 18032
6546 1 12 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.806 1.294 18032
6547 1 12 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.351 -0.351 18032
6548 1 12 . 1 1 93 93 ALA H H 93 7.900 7.900 7.751 0.149 18032
6549 1 12 . 1 1 94 94 LEU N N 94 119.800 119.800 116.285 3.515 18032
6550 1 12 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.923 0.367 18032
6551 1 12 . 1 1 94 94 LEU C C 94 177.900 177.900 177.550 0.350 18032
6552 1 12 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.361 0.539 18032
6553 1 12 . 1 1 94 94 LEU CB C 94 42.300 42.300 40.848 1.452 18032
6554 1 12 . 1 1 94 94 LEU H H 94 7.940 7.940 7.268 0.672 18032
6555 1 12 . 1 1 95 95 GLU N N 95 120.100 120.100 119.276 0.824 18032
6556 1 12 . 1 1 95 95 GLU HA H 95 4.190 4.190 3.980 0.210 18032
6557 1 12 . 1 1 95 95 GLU C C 95 176.500 176.500 176.224 0.276 18032
6558 1 12 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.698 -0.798 18032
6559 1 12 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.476 0.724 18032
6560 1 12 . 1 1 95 95 GLU H H 95 8.130 8.130 8.758 -0.628 18032
6561 1 12 . 1 1 96 96 HIS N N 96 119.200 119.200 117.539 1.661 18032
6562 1 12 . 1 1 96 96 HIS CA C 96 56.300 56.300 55.240 1.060 18032
6563 1 12 . 1 1 96 96 HIS CB C 96 30.300 30.300 29.551 0.749 18032
6564 1 12 . 1 1 96 96 HIS H H 96 8.160 8.160 7.841 0.319 18032
6565 1 13 . 1 1 2 2 THR HA H 2 4.580 4.580 4.547 0.033 18032
6566 1 13 . 1 1 2 2 THR C C 2 174.500 174.500 174.658 -0.158 18032
6567 1 13 . 1 1 2 2 THR CA C 2 61.700 61.700 62.152 -0.452 18032
6568 1 13 . 1 1 2 2 THR CB C 2 70.400 70.400 68.766 1.634 18032
6569 1 13 . 1 1 3 3 SER N N 3 120.600 120.600 123.349 -2.749 18032
6570 1 13 . 1 1 3 3 SER HA H 3 4.770 4.770 4.638 0.132 18032
6571 1 13 . 1 1 3 3 SER C C 3 175.100 175.100 174.851 0.249 18032
6572 1 13 . 1 1 3 3 SER CA C 3 58.300 58.300 58.346 -0.046 18032
6573 1 13 . 1 1 3 3 SER CB C 3 65.000 65.000 62.684 2.316 18032
6574 1 13 . 1 1 3 3 SER H H 3 9.090 9.090 8.367 0.723 18032
6575 1 13 . 1 1 4 4 THR N N 4 120.500 120.500 120.768 -0.268 18032
6576 1 13 . 1 1 4 4 THR HA H 4 4.230 4.230 4.532 -0.302 18032
6577 1 13 . 1 1 4 4 THR C C 4 176.200 176.200 175.774 0.426 18032
6578 1 13 . 1 1 4 4 THR CA C 4 67.700 67.700 66.485 1.215 18032
6579 1 13 . 1 1 4 4 THR CB C 4 67.500 67.500 68.970 -1.470 18032
6580 1 13 . 1 1 4 4 THR H H 4 8.890 8.890 8.118 0.772 18032
6581 1 13 . 1 1 5 5 PHE N N 5 121.100 121.100 121.161 -0.061 18032
6582 1 13 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.328 -0.528 18032
6583 1 13 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.320 2.380 18032
6584 1 13 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.543 0.157 18032
6585 1 13 . 1 1 5 5 PHE H H 5 9.110 9.110 8.749 0.361 18032
6586 1 13 . 1 1 6 6 ASP N N 6 119.800 119.800 119.668 0.132 18032
6587 1 13 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.186 -0.346 18032
6588 1 13 . 1 1 6 6 ASP C C 6 179.200 179.200 178.668 0.532 18032
6589 1 13 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.508 -0.608 18032
6590 1 13 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.480 0.420 18032
6591 1 13 . 1 1 6 6 ASP H H 6 8.120 8.120 8.643 -0.523 18032
6592 1 13 . 1 1 7 7 ARG N N 7 119.200 119.200 119.381 -0.181 18032
6593 1 13 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.091 -0.021 18032
6594 1 13 . 1 1 7 7 ARG C C 7 179.400 179.400 178.792 0.608 18032
6595 1 13 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.537 0.763 18032
6596 1 13 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.840 1.260 18032
6597 1 13 . 1 1 7 7 ARG H H 7 8.020 8.020 7.689 0.331 18032
6598 1 13 . 1 1 8 8 VAL N N 8 120.600 120.600 119.738 0.862 18032
6599 1 13 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.723 -0.213 18032
6600 1 13 . 1 1 8 8 VAL C C 8 176.800 176.800 177.735 -0.935 18032
6601 1 13 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.691 0.309 18032
6602 1 13 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.391 0.209 18032
6603 1 13 . 1 1 8 8 VAL H H 8 8.520 8.520 8.336 0.184 18032
6604 1 13 . 1 1 9 9 ALA N N 9 122.800 122.800 121.185 1.615 18032
6605 1 13 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.849 -0.179 18032
6606 1 13 . 1 1 9 9 ALA C C 9 179.000 179.000 179.537 -0.537 18032
6607 1 13 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.388 0.412 18032
6608 1 13 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.689 -0.489 18032
6609 1 13 . 1 1 9 9 ALA H H 9 8.920 8.920 7.972 0.948 18032
6610 1 13 . 1 1 10 10 THR N N 10 114.300 114.300 116.212 -1.912 18032
6611 1 13 . 1 1 10 10 THR HA H 10 3.800 3.800 3.963 -0.163 18032
6612 1 13 . 1 1 10 10 THR C C 10 175.500 175.500 176.545 -1.045 18032
6613 1 13 . 1 1 10 10 THR CA C 10 67.400 67.400 67.855 -0.455 18032
6614 1 13 . 1 1 10 10 THR CB C 10 68.900 68.900 68.532 0.367 18032
6615 1 13 . 1 1 10 10 THR H H 10 7.790 7.790 7.617 0.173 18032
6616 1 13 . 1 1 11 11 ILE N N 11 122.100 122.100 121.703 0.397 18032
6617 1 13 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.597 0.283 18032
6618 1 13 . 1 1 11 11 ILE C C 11 179.700 179.700 177.783 1.917 18032
6619 1 13 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.817 -0.317 18032
6620 1 13 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.774 0.826 18032
6621 1 13 . 1 1 11 11 ILE H H 11 7.760 7.760 8.118 -0.358 18032
6622 1 13 . 1 1 12 12 ILE N N 12 123.100 123.100 119.401 3.699 18032
6623 1 13 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.679 -0.269 18032
6624 1 13 . 1 1 12 12 ILE C C 12 176.800 176.800 177.794 -0.994 18032
6625 1 13 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.237 1.763 18032
6626 1 13 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.531 0.369 18032
6627 1 13 . 1 1 12 12 ILE H H 12 8.750 8.750 8.027 0.723 18032
6628 1 13 . 1 1 13 13 ALA N N 13 122.600 122.600 122.887 -0.287 18032
6629 1 13 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.328 -0.048 18032
6630 1 13 . 1 1 13 13 ALA C C 13 180.700 180.700 179.623 1.077 18032
6631 1 13 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.142 0.558 18032
6632 1 13 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.406 0.194 18032
6633 1 13 . 1 1 13 13 ALA H H 13 8.430 8.430 7.905 0.525 18032
6634 1 13 . 1 1 14 14 GLU N N 14 114.500 114.500 115.877 -1.377 18032
6635 1 13 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.242 -0.052 18032
6636 1 13 . 1 1 14 14 GLU C C 14 179.100 179.100 178.709 0.391 18032
6637 1 13 . 1 1 14 14 GLU CA C 14 58.400 58.400 57.736 0.664 18032
6638 1 13 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.437 0.563 18032
6639 1 13 . 1 1 14 14 GLU H H 14 8.290 8.290 8.068 0.222 18032
6640 1 13 . 1 1 15 15 THR N N 15 115.500 115.500 115.515 -0.015 18032
6641 1 13 . 1 1 15 15 THR HA H 15 4.080 4.080 4.208 -0.128 18032
6642 1 13 . 1 1 15 15 THR C C 15 176.200 176.200 175.943 0.257 18032
6643 1 13 . 1 1 15 15 THR CA C 15 66.500 66.500 65.665 0.835 18032
6644 1 13 . 1 1 15 15 THR CB C 15 69.400 69.400 69.602 -0.202 18032
6645 1 13 . 1 1 15 15 THR H H 15 8.390 8.390 8.167 0.223 18032
6646 1 13 . 1 1 16 16 CYS N N 16 116.000 116.000 118.373 -2.373 18032
6647 1 13 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.590 -0.020 18032
6648 1 13 . 1 1 16 16 CYS C C 16 173.700 173.700 173.303 0.397 18032
6649 1 13 . 1 1 16 16 CYS CA C 16 59.200 59.200 59.088 0.112 18032
6650 1 13 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.659 0.941 18032
6651 1 13 . 1 1 16 16 CYS H H 16 8.130 8.130 7.876 0.254 18032
6652 1 13 . 1 1 17 17 ASP N N 17 119.900 119.900 120.072 -0.172 18032
6653 1 13 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.513 -0.103 18032
6654 1 13 . 1 1 17 17 ASP C C 17 174.700 174.700 174.820 -0.120 18032
6655 1 13 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.048 0.152 18032
6656 1 13 . 1 1 17 17 ASP CB C 17 38.900 38.900 40.047 -1.147 18032
6657 1 13 . 1 1 17 17 ASP H H 17 7.740 7.740 7.988 -0.248 18032
6658 1 13 . 1 1 18 18 ILE N N 18 119.100 119.100 118.990 0.110 18032
6659 1 13 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.494 0.096 18032
6660 1 13 . 1 1 18 18 ILE C C 18 179.400 179.400 174.224 5.176 18032
6661 1 13 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.109 0.691 18032
6662 1 13 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.384 3.616 18032
6663 1 13 . 1 1 18 18 ILE H H 18 7.410 7.410 7.430 -0.020 18032
6664 1 13 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.453 -0.083 18032
6665 1 13 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.381 -0.281 18032
6666 1 13 . 1 1 19 19 PRO CB C 19 32.100 32.100 31.925 0.175 18032
6667 1 13 . 1 1 20 20 ARG N N 20 129.100 129.100 126.954 2.146 18032
6668 1 13 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.915 -0.055 18032
6669 1 13 . 1 1 20 20 ARG C C 20 178.500 178.500 178.093 0.407 18032
6670 1 13 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.202 -0.402 18032
6671 1 13 . 1 1 20 20 ARG CB C 20 29.500 29.500 30.181 -0.681 18032
6672 1 13 . 1 1 20 20 ARG H H 20 9.150 9.150 8.839 0.311 18032
6673 1 13 . 1 1 21 21 GLU N N 21 117.300 117.300 116.541 0.759 18032
6674 1 13 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.155 0.145 18032
6675 1 13 . 1 1 21 21 GLU C C 21 177.200 177.200 177.273 -0.073 18032
6676 1 13 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.602 -0.002 18032
6677 1 13 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.965 -0.465 18032
6678 1 13 . 1 1 21 21 GLU H H 21 9.820 9.820 8.573 1.247 18032
6679 1 13 . 1 1 22 22 THR N N 22 110.200 110.200 108.479 1.721 18032
6680 1 13 . 1 1 22 22 THR HA H 22 4.340 4.340 4.401 -0.061 18032
6681 1 13 . 1 1 22 22 THR C C 22 173.000 173.000 175.083 -2.083 18032
6682 1 13 . 1 1 22 22 THR CA C 22 62.300 62.300 61.488 0.812 18032
6683 1 13 . 1 1 22 22 THR CB C 22 70.000 70.000 69.574 0.426 18032
6684 1 13 . 1 1 22 22 THR H H 22 7.780 7.780 7.500 0.280 18032
6685 1 13 . 1 1 23 23 ILE N N 23 122.600 122.600 125.524 -2.924 18032
6686 1 13 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.199 -0.199 18032
6687 1 13 . 1 1 23 23 ILE C C 23 174.700 174.700 175.840 -1.140 18032
6688 1 13 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.158 1.442 18032
6689 1 13 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.874 1.626 18032
6690 1 13 . 1 1 23 23 ILE H H 23 7.590 7.590 7.254 0.336 18032
6691 1 13 . 1 1 24 24 THR N N 24 118.600 118.600 118.934 -0.334 18032
6692 1 13 . 1 1 24 24 THR HA H 24 5.290 5.290 4.952 0.338 18032
6693 1 13 . 1 1 24 24 THR CA C 24 59.000 59.000 58.837 0.163 18032
6694 1 13 . 1 1 24 24 THR CB C 24 69.800 69.800 69.479 0.321 18032
6695 1 13 . 1 1 24 24 THR H H 24 8.580 8.580 7.765 0.815 18032
6696 1 13 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.586 0.184 18032
6697 1 13 . 1 1 25 25 PRO C C 25 176.200 176.200 177.922 -1.722 18032
6698 1 13 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.870 0.030 18032
6699 1 13 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.532 0.268 18032
6700 1 13 . 1 1 26 26 GLU N N 26 110.900 110.900 115.734 -4.834 18032
6701 1 13 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.253 -0.083 18032
6702 1 13 . 1 1 26 26 GLU C C 26 176.900 176.900 176.083 0.817 18032
6703 1 13 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.800 0.500 18032
6704 1 13 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.039 0.461 18032
6705 1 13 . 1 1 26 26 GLU H H 26 7.380 7.380 8.492 -1.112 18032
6706 1 13 . 1 1 27 27 SER N N 27 118.100 118.100 115.694 2.406 18032
6707 1 13 . 1 1 27 27 SER HA H 27 4.300 4.300 4.421 -0.121 18032
6708 1 13 . 1 1 27 27 SER C C 27 172.100 172.100 173.671 -1.571 18032
6709 1 13 . 1 1 27 27 SER CA C 27 61.000 61.000 58.089 2.911 18032
6710 1 13 . 1 1 27 27 SER CB C 27 64.200 64.200 64.173 0.027 18032
6711 1 13 . 1 1 27 27 SER H H 27 8.040 8.040 7.281 0.759 18032
6712 1 13 . 1 1 28 28 HIS N N 28 128.200 128.200 126.867 1.333 18032
6713 1 13 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.869 -0.129 18032
6714 1 13 . 1 1 28 28 HIS C C 28 178.200 178.200 175.985 2.215 18032
6715 1 13 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.456 -0.156 18032
6716 1 13 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.370 1.230 18032
6717 1 13 . 1 1 28 28 HIS H H 28 10.680 10.680 8.808 1.872 18032
6718 1 13 . 1 1 29 29 ALA N N 29 130.100 130.100 131.245 -1.145 18032
6719 1 13 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.036 -0.086 18032
6720 1 13 . 1 1 29 29 ALA C C 29 175.700 175.700 178.325 -2.625 18032
6721 1 13 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.520 0.380 18032
6722 1 13 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.032 -0.233 18032
6723 1 13 . 1 1 29 29 ALA H H 29 9.270 9.270 8.661 0.609 18032
6724 1 13 . 1 1 30 30 ILE N N 30 113.300 113.300 115.962 -2.662 18032
6725 1 13 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.357 -0.147 18032
6726 1 13 . 1 1 30 30 ILE C C 30 177.200 177.200 177.790 -0.590 18032
6727 1 13 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.633 -0.733 18032
6728 1 13 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.545 0.555 18032
6729 1 13 . 1 1 30 30 ILE H H 30 8.540 8.540 7.609 0.931 18032
6730 1 13 . 1 1 31 31 ASP N N 31 120.600 120.600 120.240 0.360 18032
6731 1 13 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.402 -0.222 18032
6732 1 13 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.477 0.023 18032
6733 1 13 . 1 1 31 31 ASP CB C 31 40.000 40.000 40.722 -0.722 18032
6734 1 13 . 1 1 31 31 ASP H H 31 8.480 8.480 8.354 0.126 18032
6735 1 13 . 1 1 32 32 ASP N N 32 114.200 114.200 119.421 -5.221 18032
6736 1 13 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.594 0.466 18032
6737 1 13 . 1 1 32 32 ASP C C 32 177.500 177.500 178.349 -0.849 18032
6738 1 13 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.064 -0.064 18032
6739 1 13 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.624 0.576 18032
6740 1 13 . 1 1 32 32 ASP H H 32 8.450 8.450 7.975 0.475 18032
6741 1 13 . 1 1 33 33 LEU N N 33 114.000 114.000 119.325 -5.325 18032
6742 1 13 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.294 0.176 18032
6743 1 13 . 1 1 33 33 LEU C C 33 177.400 177.400 177.698 -0.298 18032
6744 1 13 . 1 1 33 33 LEU CA C 33 54.900 54.900 56.039 -1.139 18032
6745 1 13 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.447 -1.247 18032
6746 1 13 . 1 1 33 33 LEU H H 33 7.230 7.230 7.802 -0.572 18032
6747 1 13 . 1 1 34 34 GLY N N 34 107.000 107.000 107.221 -0.221 18032
6748 1 13 . 1 1 34 34 GLY C C 34 174.500 174.500 174.146 0.354 18032
6749 1 13 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.331 1.569 18032
6750 1 13 . 1 1 34 34 GLY H H 34 7.330 7.330 7.943 -0.613 18032
6751 1 13 . 1 1 35 35 ILE N N 35 120.700 120.700 120.810 -0.110 18032
6752 1 13 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.259 -0.149 18032
6753 1 13 . 1 1 35 35 ILE C C 35 175.300 175.300 175.176 0.124 18032
6754 1 13 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.227 1.773 18032
6755 1 13 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.399 -1.499 18032
6756 1 13 . 1 1 35 35 ILE H H 35 7.820 7.820 7.924 -0.104 18032
6757 1 13 . 1 1 36 36 ASP N N 36 126.800 126.800 127.792 -0.992 18032
6758 1 13 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.635 0.205 18032
6759 1 13 . 1 1 36 36 ASP C C 36 177.100 177.100 177.227 -0.127 18032
6760 1 13 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.848 -2.248 18032
6761 1 13 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.195 0.305 18032
6762 1 13 . 1 1 36 36 ASP H H 36 8.780 8.780 8.129 0.651 18032
6763 1 13 . 1 1 37 37 SER N N 37 114.000 114.000 115.999 -1.999 18032
6764 1 13 . 1 1 37 37 SER HA H 37 4.170 4.170 4.219 -0.049 18032
6765 1 13 . 1 1 37 37 SER C C 37 175.700 175.700 176.841 -1.141 18032
6766 1 13 . 1 1 37 37 SER CA C 37 60.700 60.700 61.737 -1.037 18032
6767 1 13 . 1 1 37 37 SER CB C 37 65.800 65.800 62.585 3.215 18032
6768 1 13 . 1 1 37 37 SER H H 37 8.750 8.750 8.501 0.249 18032
6769 1 13 . 1 1 38 38 LEU N N 38 123.200 123.200 120.852 2.348 18032
6770 1 13 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.077 0.142 18032
6771 1 13 . 1 1 38 38 LEU C C 38 180.200 180.200 179.125 1.075 18032
6772 1 13 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.818 -0.018 18032
6773 1 13 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.346 -0.346 18032
6774 1 13 . 1 1 38 38 LEU H H 38 8.030 8.030 8.233 -0.203 18032
6775 1 13 . 1 1 39 39 ASP N N 39 121.500 121.500 118.424 3.076 18032
6776 1 13 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.505 -0.065 18032
6777 1 13 . 1 1 39 39 ASP C C 39 179.000 179.000 178.613 0.387 18032
6778 1 13 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.552 -0.352 18032
6779 1 13 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.745 0.455 18032
6780 1 13 . 1 1 39 39 ASP H H 39 8.390 8.390 7.642 0.748 18032
6781 1 13 . 1 1 40 40 PHE N N 40 118.900 118.900 121.052 -2.152 18032
6782 1 13 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.316 -0.266 18032
6783 1 13 . 1 1 40 40 PHE C C 40 177.500 177.500 176.702 0.798 18032
6784 1 13 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.397 1.403 18032
6785 1 13 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.310 -0.910 18032
6786 1 13 . 1 1 40 40 PHE H H 40 8.640 8.640 8.094 0.546 18032
6787 1 13 . 1 1 41 41 LEU N N 41 118.800 118.800 120.598 -1.798 18032
6788 1 13 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.697 0.283 18032
6789 1 13 . 1 1 41 41 LEU C C 41 179.300 179.300 178.486 0.814 18032
6790 1 13 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.771 -0.371 18032
6791 1 13 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.103 -0.103 18032
6792 1 13 . 1 1 41 41 LEU H H 41 7.660 7.660 8.204 -0.544 18032
6793 1 13 . 1 1 42 42 ASP N N 42 119.700 119.700 119.336 0.364 18032
6794 1 13 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.566 0.024 18032
6795 1 13 . 1 1 42 42 ASP C C 42 179.800 179.800 178.926 0.874 18032
6796 1 13 . 1 1 42 42 ASP CA C 42 57.600 57.600 58.230 -0.630 18032
6797 1 13 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.418 -0.118 18032
6798 1 13 . 1 1 42 42 ASP H H 42 7.320 7.320 7.926 -0.606 18032
6799 1 13 . 1 1 43 43 ILE N N 43 122.700 122.700 120.127 2.573 18032
6800 1 13 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.744 -0.224 18032
6801 1 13 . 1 1 43 43 ILE C C 43 177.100 177.100 177.800 -0.700 18032
6802 1 13 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.998 0.202 18032
6803 1 13 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.850 0.050 18032
6804 1 13 . 1 1 43 43 ILE H H 43 8.090 8.090 7.501 0.589 18032
6805 1 13 . 1 1 44 44 ALA N N 44 122.600 122.600 122.416 0.184 18032
6806 1 13 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.949 -0.089 18032
6807 1 13 . 1 1 44 44 ALA C C 44 178.500 178.500 179.629 -1.129 18032
6808 1 13 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.688 1.012 18032
6809 1 13 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.736 0.564 18032
6810 1 13 . 1 1 44 44 ALA H H 44 8.830 8.830 7.565 1.265 18032
6811 1 13 . 1 1 45 45 PHE N N 45 117.300 117.300 119.036 -1.736 18032
6812 1 13 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.080 0.420 18032
6813 1 13 . 1 1 45 45 PHE C C 45 178.300 178.300 177.663 0.637 18032
6814 1 13 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.616 -1.016 18032
6815 1 13 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.474 0.226 18032
6816 1 13 . 1 1 45 45 PHE H H 45 8.090 8.090 8.274 -0.184 18032
6817 1 13 . 1 1 46 46 ALA N N 46 121.600 121.600 122.732 -1.132 18032
6818 1 13 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.083 0.087 18032
6819 1 13 . 1 1 46 46 ALA C C 46 181.400 181.400 179.931 1.469 18032
6820 1 13 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.130 -0.130 18032
6821 1 13 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.064 1.136 18032
6822 1 13 . 1 1 46 46 ALA H H 46 7.780 7.780 7.920 -0.140 18032
6823 1 13 . 1 1 47 47 ILE N N 47 122.900 122.900 118.958 3.942 18032
6824 1 13 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.794 -0.014 18032
6825 1 13 . 1 1 47 47 ILE C C 47 177.000 177.000 177.486 -0.486 18032
6826 1 13 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.808 0.192 18032
6827 1 13 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.690 0.310 18032
6828 1 13 . 1 1 47 47 ILE H H 47 8.960 8.960 7.998 0.962 18032
6829 1 13 . 1 1 48 48 ASP N N 48 123.900 123.900 120.566 3.334 18032
6830 1 13 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.246 0.124 18032
6831 1 13 . 1 1 48 48 ASP C C 48 180.200 180.200 178.602 1.598 18032
6832 1 13 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.146 -0.446 18032
6833 1 13 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.929 -0.629 18032
6834 1 13 . 1 1 48 48 ASP H H 48 8.950 8.950 8.115 0.835 18032
6835 1 13 . 1 1 49 49 LYS N N 49 117.500 117.500 118.025 -0.525 18032
6836 1 13 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.112 -0.092 18032
6837 1 13 . 1 1 49 49 LYS C C 49 178.800 178.800 179.358 -0.558 18032
6838 1 13 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.739 -0.139 18032
6839 1 13 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.510 0.090 18032
6840 1 13 . 1 1 49 49 LYS H H 49 7.590 7.590 7.908 -0.318 18032
6841 1 13 . 1 1 50 50 ALA N N 50 121.100 121.100 122.724 -1.624 18032
6842 1 13 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.095 -0.065 18032
6843 1 13 . 1 1 50 50 ALA C C 50 179.400 179.400 178.993 0.407 18032
6844 1 13 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.502 0.098 18032
6845 1 13 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.562 0.538 18032
6846 1 13 . 1 1 50 50 ALA H H 50 8.180 8.180 7.603 0.577 18032
6847 1 13 . 1 1 51 51 PHE N N 51 111.600 111.600 114.447 -2.847 18032
6848 1 13 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.496 0.044 18032
6849 1 13 . 1 1 51 51 PHE C C 51 176.200 176.200 175.740 0.460 18032
6850 1 13 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.609 -0.209 18032
6851 1 13 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.415 1.085 18032
6852 1 13 . 1 1 51 51 PHE H H 51 8.620 8.620 8.113 0.507 18032
6853 1 13 . 1 1 52 52 GLY N N 52 112.100 112.100 107.427 4.673 18032
6854 1 13 . 1 1 52 52 GLY C C 52 174.900 174.900 174.584 0.316 18032
6855 1 13 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.833 1.667 18032
6856 1 13 . 1 1 52 52 GLY H H 52 8.140 8.140 7.584 0.556 18032
6857 1 13 . 1 1 53 53 ILE N N 53 111.000 111.000 114.514 -3.514 18032
6858 1 13 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.465 0.205 18032
6859 1 13 . 1 1 53 53 ILE C C 53 173.500 173.500 174.114 -0.614 18032
6860 1 13 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.947 -0.346 18032
6861 1 13 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.755 3.145 18032
6862 1 13 . 1 1 53 53 ILE H H 53 7.520 7.520 7.510 0.010 18032
6863 1 13 . 1 1 54 54 LYS N N 54 119.600 119.600 122.684 -3.084 18032
6864 1 13 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.658 -0.048 18032
6865 1 13 . 1 1 54 54 LYS C C 54 175.900 175.900 176.169 -0.269 18032
6866 1 13 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.608 -1.308 18032
6867 1 13 . 1 1 54 54 LYS CB C 54 33.000 33.000 32.480 0.520 18032
6868 1 13 . 1 1 54 54 LYS H H 54 7.940 7.940 8.242 -0.302 18032
6869 1 13 . 1 1 55 55 LEU N N 55 130.800 130.800 128.566 2.234 18032
6870 1 13 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.372 -0.522 18032
6871 1 13 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.669 0.631 18032
6872 1 13 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.899 0.101 18032
6873 1 13 . 1 1 55 55 LEU H H 55 10.700 10.700 8.455 2.245 18032
6874 1 13 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.220 0.380 18032
6875 1 13 . 1 1 56 56 PRO C C 56 174.600 174.600 175.589 -0.989 18032
6876 1 13 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.763 -0.263 18032
6877 1 13 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.973 -2.473 18032
6878 1 13 . 1 1 57 57 LEU N N 57 121.300 121.300 122.380 -1.080 18032
6879 1 13 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.882 -0.472 18032
6880 1 13 . 1 1 57 57 LEU C C 57 179.100 179.100 177.978 1.122 18032
6881 1 13 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.009 0.191 18032
6882 1 13 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.733 0.367 18032
6883 1 13 . 1 1 57 57 LEU H H 57 7.490 7.490 7.618 -0.128 18032
6884 1 13 . 1 1 58 58 GLU N N 58 119.200 119.200 118.065 1.135 18032
6885 1 13 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.957 0.023 18032
6886 1 13 . 1 1 58 58 GLU C C 58 178.500 178.500 178.715 -0.215 18032
6887 1 13 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.539 0.361 18032
6888 1 13 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.003 -0.303 18032
6889 1 13 . 1 1 58 58 GLU H H 58 8.860 8.860 8.519 0.341 18032
6890 1 13 . 1 1 59 59 LYS N N 59 122.100 122.100 121.004 1.096 18032
6891 1 13 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.030 0.070 18032
6892 1 13 . 1 1 59 59 LYS C C 59 178.700 178.700 178.799 -0.099 18032
6893 1 13 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.222 -0.322 18032
6894 1 13 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.959 0.241 18032
6895 1 13 . 1 1 59 59 LYS H H 59 7.420 7.420 7.894 -0.474 18032
6896 1 13 . 1 1 60 60 TRP N N 60 120.000 120.000 118.406 1.594 18032
6897 1 13 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.698 -0.498 18032
6898 1 13 . 1 1 60 60 TRP C C 60 178.300 178.300 179.290 -0.990 18032
6899 1 13 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.980 -0.280 18032
6900 1 13 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.039 0.561 18032
6901 1 13 . 1 1 60 60 TRP H H 60 8.140 8.140 7.813 0.327 18032
6902 1 13 . 1 1 61 61 THR N N 61 113.200 113.200 116.631 -3.431 18032
6903 1 13 . 1 1 61 61 THR HA H 61 3.870 3.870 4.085 -0.215 18032
6904 1 13 . 1 1 61 61 THR C C 61 176.300 176.300 176.624 -0.324 18032
6905 1 13 . 1 1 61 61 THR CA C 61 67.100 67.100 67.302 -0.202 18032
6906 1 13 . 1 1 61 61 THR CB C 61 68.900 68.900 68.531 0.369 18032
6907 1 13 . 1 1 61 61 THR H H 61 8.390 8.390 8.146 0.244 18032
6908 1 13 . 1 1 62 62 GLN N N 62 122.300 122.300 120.088 2.212 18032
6909 1 13 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.139 -0.099 18032
6910 1 13 . 1 1 62 62 GLN C C 62 177.900 177.900 178.650 -0.750 18032
6911 1 13 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.776 0.224 18032
6912 1 13 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.075 0.025 18032
6913 1 13 . 1 1 62 62 GLN H H 62 7.810 7.810 7.797 0.013 18032
6914 1 13 . 1 1 63 63 GLU N N 63 119.000 119.000 120.368 -1.368 18032
6915 1 13 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.127 -0.057 18032
6916 1 13 . 1 1 63 63 GLU C C 63 180.000 180.000 179.556 0.444 18032
6917 1 13 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.322 0.878 18032
6918 1 13 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.742 0.658 18032
6919 1 13 . 1 1 63 63 GLU H H 63 8.410 8.410 7.808 0.602 18032
6920 1 13 . 1 1 64 64 VAL N N 64 119.600 119.600 121.177 -1.577 18032
6921 1 13 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.038 0.082 18032
6922 1 13 . 1 1 64 64 VAL C C 64 180.600 180.600 178.082 2.518 18032
6923 1 13 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.341 -0.941 18032
6924 1 13 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.980 -0.080 18032
6925 1 13 . 1 1 64 64 VAL H H 64 8.170 8.170 8.230 -0.060 18032
6926 1 13 . 1 1 65 65 ASN N N 65 121.700 121.700 117.001 4.699 18032
6927 1 13 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.485 0.025 18032
6928 1 13 . 1 1 65 65 ASN C C 65 177.300 177.300 177.119 0.181 18032
6929 1 13 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.694 0.606 18032
6930 1 13 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.157 -0.057 18032
6931 1 13 . 1 1 65 65 ASN H H 65 8.550 8.550 8.021 0.529 18032
6932 1 13 . 1 1 66 66 ASP N N 66 118.000 118.000 117.908 0.092 18032
6933 1 13 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.643 0.127 18032
6934 1 13 . 1 1 66 66 ASP C C 66 177.000 177.000 177.347 -0.347 18032
6935 1 13 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.713 0.087 18032
6936 1 13 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.975 -0.675 18032
6937 1 13 . 1 1 66 66 ASP H H 66 8.470 8.470 7.851 0.619 18032
6938 1 13 . 1 1 67 67 GLY N N 67 108.600 108.600 108.365 0.235 18032
6939 1 13 . 1 1 67 67 GLY C C 67 174.800 174.800 175.565 -0.765 18032
6940 1 13 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.149 0.851 18032
6941 1 13 . 1 1 67 67 GLY H H 67 8.100 8.100 7.841 0.259 18032
6942 1 13 . 1 1 68 68 LYS N N 68 118.900 118.900 119.346 -0.446 18032
6943 1 13 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.167 0.143 18032
6944 1 13 . 1 1 68 68 LYS C C 68 175.100 175.100 175.880 -0.780 18032
6945 1 13 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.736 -1.336 18032
6946 1 13 . 1 1 68 68 LYS CB C 68 33.500 33.500 32.755 0.745 18032
6947 1 13 . 1 1 68 68 LYS H H 68 8.400 8.400 7.988 0.412 18032
6948 1 13 . 1 1 69 69 ALA N N 69 120.400 120.400 121.305 -0.905 18032
6949 1 13 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.539 0.091 18032
6950 1 13 . 1 1 69 69 ALA C C 69 175.900 175.900 175.848 0.052 18032
6951 1 13 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.741 -0.241 18032
6952 1 13 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.649 2.351 18032
6953 1 13 . 1 1 69 69 ALA H H 69 7.490 7.490 7.536 -0.046 18032
6954 1 13 . 1 1 70 70 THR N N 70 109.700 109.700 120.476 -10.776 18032
6955 1 13 . 1 1 70 70 THR HA H 70 4.750 4.750 4.201 0.549 18032
6956 1 13 . 1 1 70 70 THR C C 70 175.600 175.600 175.574 0.026 18032
6957 1 13 . 1 1 70 70 THR CA C 70 59.600 59.600 62.240 -2.640 18032
6958 1 13 . 1 1 70 70 THR CB C 70 70.700 70.700 69.805 0.895 18032
6959 1 13 . 1 1 70 70 THR H H 70 7.930 7.930 8.361 -0.431 18032
6960 1 13 . 1 1 71 71 THR N N 71 111.300 111.300 117.627 -6.327 18032
6961 1 13 . 1 1 71 71 THR HA H 71 4.110 4.110 4.080 0.030 18032
6962 1 13 . 1 1 71 71 THR C C 71 177.500 177.500 176.439 1.061 18032
6963 1 13 . 1 1 71 71 THR CA C 71 65.100 65.100 66.007 -0.907 18032
6964 1 13 . 1 1 71 71 THR CB C 71 68.900 68.900 68.897 0.003 18032
6965 1 13 . 1 1 71 71 THR H H 71 9.030 9.030 8.641 0.389 18032
6966 1 13 . 1 1 72 72 GLU N N 72 122.300 122.300 122.129 0.171 18032
6967 1 13 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.137 -0.277 18032
6968 1 13 . 1 1 72 72 GLU C C 72 177.500 177.500 178.847 -1.347 18032
6969 1 13 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.493 0.407 18032
6970 1 13 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.460 0.540 18032
6971 1 13 . 1 1 72 72 GLU H H 72 8.830 8.830 8.728 0.102 18032
6972 1 13 . 1 1 73 73 GLN N N 73 116.900 116.900 117.921 -1.021 18032
6973 1 13 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.870 -0.240 18032
6974 1 13 . 1 1 73 73 GLN C C 73 174.000 174.000 176.337 -2.337 18032
6975 1 13 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.257 -0.257 18032
6976 1 13 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.077 0.523 18032
6977 1 13 . 1 1 73 73 GLN H H 73 7.280 7.280 8.298 -1.018 18032
6978 1 13 . 1 1 74 74 TYR N N 74 112.700 112.700 113.601 -0.901 18032
6979 1 13 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.133 -0.053 18032
6980 1 13 . 1 1 74 74 TYR C C 74 173.900 173.900 176.241 -2.341 18032
6981 1 13 . 1 1 74 74 TYR CA C 74 56.800 56.800 57.388 -0.588 18032
6982 1 13 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.389 0.911 18032
6983 1 13 . 1 1 74 74 TYR H H 74 6.310 6.310 7.290 -0.980 18032
6984 1 13 . 1 1 75 75 PHE N N 75 108.000 108.000 116.350 -8.350 18032
6985 1 13 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.359 0.301 18032
6986 1 13 . 1 1 75 75 PHE C C 75 177.900 177.900 174.668 3.232 18032
6987 1 13 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.848 -0.448 18032
6988 1 13 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.279 0.421 18032
6989 1 13 . 1 1 75 75 PHE H H 75 7.760 7.760 7.872 -0.112 18032
6990 1 13 . 1 1 76 76 VAL N N 76 120.700 120.700 121.193 -0.493 18032
6991 1 13 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.530 0.240 18032
6992 1 13 . 1 1 76 76 VAL C C 76 180.000 180.000 177.068 2.932 18032
6993 1 13 . 1 1 76 76 VAL CA C 76 62.900 62.900 62.115 0.785 18032
6994 1 13 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.665 -0.465 18032
6995 1 13 . 1 1 76 76 VAL H H 76 7.010 7.010 7.626 -0.616 18032
6996 1 13 . 1 1 77 77 LEU N N 77 131.600 131.600 129.100 2.500 18032
6997 1 13 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.060 -0.030 18032
6998 1 13 . 1 1 77 77 LEU C C 77 179.000 179.000 179.130 -0.130 18032
6999 1 13 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.740 0.360 18032
7000 1 13 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.137 -0.137 18032
7001 1 13 . 1 1 77 77 LEU H H 77 8.860 8.860 8.920 -0.060 18032
7002 1 13 . 1 1 78 78 LYS N N 78 116.700 116.700 118.570 -1.870 18032
7003 1 13 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.943 0.267 18032
7004 1 13 . 1 1 78 78 LYS C C 78 178.000 178.000 178.736 -0.736 18032
7005 1 13 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.039 0.061 18032
7006 1 13 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.651 -0.551 18032
7007 1 13 . 1 1 78 78 LYS H H 78 9.540 9.540 8.299 1.241 18032
7008 1 13 . 1 1 79 79 ASN N N 79 121.500 121.500 119.780 1.720 18032
7009 1 13 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.449 0.201 18032
7010 1 13 . 1 1 79 79 ASN C C 79 176.200 176.200 177.323 -1.123 18032
7011 1 13 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.553 -0.953 18032
7012 1 13 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.864 -0.663 18032
7013 1 13 . 1 1 79 79 ASN H H 79 7.340 7.340 7.656 -0.316 18032
7014 1 13 . 1 1 80 80 LEU N N 80 124.300 124.300 122.160 2.140 18032
7015 1 13 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.022 0.008 18032
7016 1 13 . 1 1 80 80 LEU C C 80 178.700 178.700 178.051 0.649 18032
7017 1 13 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.194 0.606 18032
7018 1 13 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.681 -0.881 18032
7019 1 13 . 1 1 80 80 LEU H H 80 8.260 8.260 8.483 -0.223 18032
7020 1 13 . 1 1 81 81 ALA N N 81 118.100 118.100 119.903 -1.803 18032
7021 1 13 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.910 -0.040 18032
7022 1 13 . 1 1 81 81 ALA C C 81 177.600 177.600 178.964 -1.364 18032
7023 1 13 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.813 0.387 18032
7024 1 13 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.947 -0.647 18032
7025 1 13 . 1 1 81 81 ALA H H 81 8.580 8.580 7.823 0.757 18032
7026 1 13 . 1 1 82 82 ALA N N 82 119.800 119.800 122.285 -2.485 18032
7027 1 13 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.935 0.275 18032
7028 1 13 . 1 1 82 82 ALA C C 82 180.700 180.700 179.409 1.291 18032
7029 1 13 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.733 0.667 18032
7030 1 13 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.402 -0.502 18032
7031 1 13 . 1 1 82 82 ALA H H 82 7.230 7.230 7.593 -0.363 18032
7032 1 13 . 1 1 83 83 ARG N N 83 118.300 118.300 119.259 -0.959 18032
7033 1 13 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.007 0.333 18032
7034 1 13 . 1 1 83 83 ARG C C 83 180.500 180.500 178.917 1.583 18032
7035 1 13 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.955 -0.455 18032
7036 1 13 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.826 2.074 18032
7037 1 13 . 1 1 83 83 ARG H H 83 8.510 8.510 7.800 0.710 18032
7038 1 13 . 1 1 84 84 ILE N N 84 121.300 121.300 120.395 0.905 18032
7039 1 13 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.499 -0.119 18032
7040 1 13 . 1 1 84 84 ILE C C 84 177.300 177.300 177.584 -0.284 18032
7041 1 13 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.559 0.641 18032
7042 1 13 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.231 0.469 18032
7043 1 13 . 1 1 84 84 ILE H H 84 8.340 8.340 7.915 0.425 18032
7044 1 13 . 1 1 85 85 ASP N N 85 120.200 120.200 119.903 0.297 18032
7045 1 13 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.249 0.161 18032
7046 1 13 . 1 1 85 85 ASP C C 85 180.200 180.200 178.656 1.544 18032
7047 1 13 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.586 0.414 18032
7048 1 13 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.845 -1.345 18032
7049 1 13 . 1 1 85 85 ASP H H 85 8.330 8.330 7.781 0.549 18032
7050 1 13 . 1 1 86 86 GLU N N 86 121.100 121.100 119.582 1.518 18032
7051 1 13 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.112 0.008 18032
7052 1 13 . 1 1 86 86 GLU C C 86 179.800 179.800 179.486 0.314 18032
7053 1 13 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.029 0.271 18032
7054 1 13 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.514 -0.014 18032
7055 1 13 . 1 1 86 86 GLU H H 86 8.060 8.060 8.218 -0.158 18032
7056 1 13 . 1 1 87 87 LEU N N 87 122.700 122.700 119.283 3.417 18032
7057 1 13 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.233 -0.033 18032
7058 1 13 . 1 1 87 87 LEU C C 87 180.500 180.500 179.166 1.334 18032
7059 1 13 . 1 1 87 87 LEU CA C 87 58.200 58.200 56.926 1.274 18032
7060 1 13 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.973 0.127 18032
7061 1 13 . 1 1 87 87 LEU H H 87 8.090 8.090 7.956 0.134 18032
7062 1 13 . 1 1 88 88 VAL N N 88 122.800 122.800 120.883 1.917 18032
7063 1 13 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.666 -0.126 18032
7064 1 13 . 1 1 88 88 VAL C C 88 179.200 179.200 177.709 1.491 18032
7065 1 13 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.819 -0.019 18032
7066 1 13 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.327 0.973 18032
7067 1 13 . 1 1 88 88 VAL H H 88 9.030 9.030 7.975 1.055 18032
7068 1 13 . 1 1 89 89 ALA N N 89 122.900 122.900 121.367 1.533 18032
7069 1 13 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.080 0.140 18032
7070 1 13 . 1 1 89 89 ALA C C 89 180.000 180.000 179.439 0.561 18032
7071 1 13 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.259 -0.559 18032
7072 1 13 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.025 -0.025 18032
7073 1 13 . 1 1 89 89 ALA H H 89 8.170 8.170 7.933 0.237 18032
7074 1 13 . 1 1 90 90 ALA N N 90 120.100 120.100 120.674 -0.574 18032
7075 1 13 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.088 0.182 18032
7076 1 13 . 1 1 90 90 ALA C C 90 179.200 179.200 179.020 0.180 18032
7077 1 13 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.638 -0.738 18032
7078 1 13 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.393 0.107 18032
7079 1 13 . 1 1 90 90 ALA H H 90 7.820 7.820 7.897 -0.077 18032
7080 1 13 . 1 1 91 91 LYS N N 91 118.900 118.900 118.661 0.239 18032
7081 1 13 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.253 -0.063 18032
7082 1 13 . 1 1 91 91 LYS C C 91 178.400 178.400 178.135 0.265 18032
7083 1 13 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.593 0.907 18032
7084 1 13 . 1 1 91 91 LYS CB C 91 32.400 32.400 33.208 -0.808 18032
7085 1 13 . 1 1 91 91 LYS H H 91 7.660 7.660 7.853 -0.193 18032
7086 1 13 . 1 1 92 92 GLY N N 92 107.200 107.200 105.680 1.520 18032
7087 1 13 . 1 1 92 92 GLY C C 92 174.700 174.700 174.950 -0.250 18032
7088 1 13 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.299 0.701 18032
7089 1 13 . 1 1 92 92 GLY H H 92 8.090 8.090 7.820 0.270 18032
7090 1 13 . 1 1 93 93 ALA N N 93 123.300 123.300 124.774 -1.474 18032
7091 1 13 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.461 -0.141 18032
7092 1 13 . 1 1 93 93 ALA C C 93 178.300 178.300 178.028 0.272 18032
7093 1 13 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.855 0.245 18032
7094 1 13 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.752 -0.752 18032
7095 1 13 . 1 1 93 93 ALA H H 93 7.900 7.900 7.706 0.194 18032
7096 1 13 . 1 1 94 94 LEU N N 94 119.800 119.800 121.186 -1.386 18032
7097 1 13 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.323 -0.033 18032
7098 1 13 . 1 1 94 94 LEU C C 94 177.900 177.900 176.623 1.277 18032
7099 1 13 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.377 0.523 18032
7100 1 13 . 1 1 94 94 LEU CB C 94 42.300 42.300 40.850 1.450 18032
7101 1 13 . 1 1 94 94 LEU H H 94 7.940 7.940 7.982 -0.042 18032
7102 1 13 . 1 1 95 95 GLU N N 95 120.100 120.100 122.007 -1.907 18032
7103 1 13 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.419 -0.229 18032
7104 1 13 . 1 1 95 95 GLU C C 95 176.500 176.500 175.795 0.705 18032
7105 1 13 . 1 1 95 95 GLU CA C 95 56.900 56.900 55.721 1.179 18032
7106 1 13 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.781 0.419 18032
7107 1 13 . 1 1 95 95 GLU H H 95 8.130 8.130 8.672 -0.542 18032
7108 1 13 . 1 1 96 96 HIS N N 96 119.200 119.200 121.121 -1.921 18032
7109 1 13 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.702 -0.402 18032
7110 1 13 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.956 1.344 18032
7111 1 13 . 1 1 96 96 HIS H H 96 8.160 8.160 8.430 -0.270 18032
7112 1 14 . 1 1 2 2 THR HA H 2 4.580 4.580 4.354 0.226 18032
7113 1 14 . 1 1 2 2 THR C C 2 174.500 174.500 173.680 0.820 18032
7114 1 14 . 1 1 2 2 THR CA C 2 61.700 61.700 62.197 -0.497 18032
7115 1 14 . 1 1 2 2 THR CB C 2 70.400 70.400 68.645 1.755 18032
7116 1 14 . 1 1 3 3 SER N N 3 120.600 120.600 116.924 3.676 18032
7117 1 14 . 1 1 3 3 SER HA H 3 4.770 4.770 4.648 0.122 18032
7118 1 14 . 1 1 3 3 SER C C 3 175.100 175.100 176.228 -1.128 18032
7119 1 14 . 1 1 3 3 SER CA C 3 58.300 58.300 57.911 0.389 18032
7120 1 14 . 1 1 3 3 SER CB C 3 65.000 65.000 64.984 0.017 18032
7121 1 14 . 1 1 3 3 SER H H 3 9.090 9.090 7.885 1.205 18032
7122 1 14 . 1 1 4 4 THR N N 4 120.500 120.500 117.571 2.929 18032
7123 1 14 . 1 1 4 4 THR HA H 4 4.230 4.230 4.390 -0.160 18032
7124 1 14 . 1 1 4 4 THR C C 4 176.200 176.200 176.705 -0.505 18032
7125 1 14 . 1 1 4 4 THR CA C 4 67.700 67.700 67.405 0.295 18032
7126 1 14 . 1 1 4 4 THR CB C 4 67.500 67.500 68.763 -1.263 18032
7127 1 14 . 1 1 4 4 THR H H 4 8.890 8.890 8.962 -0.072 18032
7128 1 14 . 1 1 5 5 PHE N N 5 121.100 121.100 122.298 -1.198 18032
7129 1 14 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.253 -0.453 18032
7130 1 14 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.981 1.719 18032
7131 1 14 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.928 -0.228 18032
7132 1 14 . 1 1 5 5 PHE H H 5 9.110 9.110 8.265 0.845 18032
7133 1 14 . 1 1 6 6 ASP N N 6 119.800 119.800 119.258 0.542 18032
7134 1 14 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.139 -0.299 18032
7135 1 14 . 1 1 6 6 ASP C C 6 179.200 179.200 178.691 0.509 18032
7136 1 14 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.457 0.443 18032
7137 1 14 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.954 -0.054 18032
7138 1 14 . 1 1 6 6 ASP H H 6 8.120 8.120 7.894 0.226 18032
7139 1 14 . 1 1 7 7 ARG N N 7 119.200 119.200 118.847 0.353 18032
7140 1 14 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.053 0.017 18032
7141 1 14 . 1 1 7 7 ARG C C 7 179.400 179.400 178.923 0.477 18032
7142 1 14 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.645 0.655 18032
7143 1 14 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.983 1.117 18032
7144 1 14 . 1 1 7 7 ARG H H 7 8.020 8.020 7.818 0.202 18032
7145 1 14 . 1 1 8 8 VAL N N 8 120.600 120.600 119.789 0.811 18032
7146 1 14 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.707 -0.197 18032
7147 1 14 . 1 1 8 8 VAL C C 8 176.800 176.800 177.833 -1.033 18032
7148 1 14 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.533 0.467 18032
7149 1 14 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.334 0.266 18032
7150 1 14 . 1 1 8 8 VAL H H 8 8.520 8.520 8.181 0.339 18032
7151 1 14 . 1 1 9 9 ALA N N 9 122.800 122.800 121.522 1.278 18032
7152 1 14 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.857 -0.187 18032
7153 1 14 . 1 1 9 9 ALA C C 9 179.000 179.000 179.570 -0.570 18032
7154 1 14 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.437 0.363 18032
7155 1 14 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.704 -0.504 18032
7156 1 14 . 1 1 9 9 ALA H H 9 8.920 8.920 8.189 0.731 18032
7157 1 14 . 1 1 10 10 THR N N 10 114.300 114.300 115.922 -1.622 18032
7158 1 14 . 1 1 10 10 THR HA H 10 3.800 3.800 3.931 -0.131 18032
7159 1 14 . 1 1 10 10 THR C C 10 175.500 175.500 176.640 -1.140 18032
7160 1 14 . 1 1 10 10 THR CA C 10 67.400 67.400 67.201 0.199 18032
7161 1 14 . 1 1 10 10 THR CB C 10 68.900 68.900 68.700 0.200 18032
7162 1 14 . 1 1 10 10 THR H H 10 7.790 7.790 7.514 0.276 18032
7163 1 14 . 1 1 11 11 ILE N N 11 122.100 122.100 122.035 0.065 18032
7164 1 14 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.665 0.215 18032
7165 1 14 . 1 1 11 11 ILE C C 11 179.700 179.700 177.918 1.782 18032
7166 1 14 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.651 -0.151 18032
7167 1 14 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.676 0.923 18032
7168 1 14 . 1 1 11 11 ILE H H 11 7.760 7.760 7.960 -0.200 18032
7169 1 14 . 1 1 12 12 ILE N N 12 123.100 123.100 119.902 3.198 18032
7170 1 14 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.692 -0.282 18032
7171 1 14 . 1 1 12 12 ILE C C 12 176.800 176.800 177.898 -1.098 18032
7172 1 14 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.209 1.791 18032
7173 1 14 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.667 0.233 18032
7174 1 14 . 1 1 12 12 ILE H H 12 8.750 8.750 7.941 0.809 18032
7175 1 14 . 1 1 13 13 ALA N N 13 122.600 122.600 122.773 -0.173 18032
7176 1 14 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.333 -0.053 18032
7177 1 14 . 1 1 13 13 ALA C C 13 180.700 180.700 179.703 0.997 18032
7178 1 14 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.090 0.610 18032
7179 1 14 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.436 0.164 18032
7180 1 14 . 1 1 13 13 ALA H H 13 8.430 8.430 7.938 0.492 18032
7181 1 14 . 1 1 14 14 GLU N N 14 114.500 114.500 116.008 -1.508 18032
7182 1 14 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.242 -0.052 18032
7183 1 14 . 1 1 14 14 GLU C C 14 179.100 179.100 178.865 0.235 18032
7184 1 14 . 1 1 14 14 GLU CA C 14 58.400 58.400 57.971 0.429 18032
7185 1 14 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.579 0.421 18032
7186 1 14 . 1 1 14 14 GLU H H 14 8.290 8.290 8.012 0.278 18032
7187 1 14 . 1 1 15 15 THR N N 15 115.500 115.500 114.865 0.635 18032
7188 1 14 . 1 1 15 15 THR HA H 15 4.080 4.080 4.199 -0.119 18032
7189 1 14 . 1 1 15 15 THR C C 15 176.200 176.200 176.032 0.168 18032
7190 1 14 . 1 1 15 15 THR CA C 15 66.500 66.500 65.767 0.733 18032
7191 1 14 . 1 1 15 15 THR CB C 15 69.400 69.400 69.474 -0.074 18032
7192 1 14 . 1 1 15 15 THR H H 15 8.390 8.390 8.298 0.092 18032
7193 1 14 . 1 1 16 16 CYS N N 16 116.000 116.000 118.610 -2.610 18032
7194 1 14 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.644 -0.074 18032
7195 1 14 . 1 1 16 16 CYS C C 16 173.700 173.700 174.074 -0.374 18032
7196 1 14 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.523 0.678 18032
7197 1 14 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.162 1.438 18032
7198 1 14 . 1 1 16 16 CYS H H 16 8.130 8.130 7.925 0.205 18032
7199 1 14 . 1 1 17 17 ASP N N 17 119.900 119.900 118.531 1.369 18032
7200 1 14 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.488 -0.078 18032
7201 1 14 . 1 1 17 17 ASP C C 17 174.700 174.700 174.775 -0.075 18032
7202 1 14 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.236 -0.035 18032
7203 1 14 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.491 -0.591 18032
7204 1 14 . 1 1 17 17 ASP H H 17 7.740 7.740 8.112 -0.372 18032
7205 1 14 . 1 1 18 18 ILE N N 18 119.100 119.100 120.408 -1.308 18032
7206 1 14 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.526 0.064 18032
7207 1 14 . 1 1 18 18 ILE C C 18 179.400 179.400 174.365 5.035 18032
7208 1 14 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.098 0.702 18032
7209 1 14 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.345 2.655 18032
7210 1 14 . 1 1 18 18 ILE H H 18 7.410 7.410 7.445 -0.035 18032
7211 1 14 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.645 -0.275 18032
7212 1 14 . 1 1 19 19 PRO CA C 19 63.100 63.100 62.719 0.381 18032
7213 1 14 . 1 1 19 19 PRO CB C 19 32.100 32.100 33.208 -1.108 18032
7214 1 14 . 1 1 20 20 ARG N N 20 129.100 129.100 124.524 4.576 18032
7215 1 14 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.921 -0.061 18032
7216 1 14 . 1 1 20 20 ARG C C 20 178.500 178.500 178.568 -0.068 18032
7217 1 14 . 1 1 20 20 ARG CA C 20 58.800 58.800 58.857 -0.057 18032
7218 1 14 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.659 -0.159 18032
7219 1 14 . 1 1 20 20 ARG H H 20 9.150 9.150 8.925 0.225 18032
7220 1 14 . 1 1 21 21 GLU N N 21 117.300 117.300 117.330 -0.030 18032
7221 1 14 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.169 0.131 18032
7222 1 14 . 1 1 21 21 GLU C C 21 177.200 177.200 177.559 -0.359 18032
7223 1 14 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.574 0.026 18032
7224 1 14 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.993 -0.493 18032
7225 1 14 . 1 1 21 21 GLU H H 21 9.820 9.820 8.869 0.951 18032
7226 1 14 . 1 1 22 22 THR N N 22 110.200 110.200 108.340 1.860 18032
7227 1 14 . 1 1 22 22 THR HA H 22 4.340 4.340 4.409 -0.069 18032
7228 1 14 . 1 1 22 22 THR C C 22 173.000 173.000 173.977 -0.977 18032
7229 1 14 . 1 1 22 22 THR CA C 22 62.300 62.300 62.045 0.255 18032
7230 1 14 . 1 1 22 22 THR CB C 22 70.000 70.000 69.788 0.212 18032
7231 1 14 . 1 1 22 22 THR H H 22 7.780 7.780 7.766 0.014 18032
7232 1 14 . 1 1 23 23 ILE N N 23 122.600 122.600 124.550 -1.950 18032
7233 1 14 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.245 -0.245 18032
7234 1 14 . 1 1 23 23 ILE C C 23 174.700 174.700 174.926 -0.226 18032
7235 1 14 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.090 1.510 18032
7236 1 14 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.062 1.438 18032
7237 1 14 . 1 1 23 23 ILE H H 23 7.590 7.590 7.332 0.258 18032
7238 1 14 . 1 1 24 24 THR N N 24 118.600 118.600 119.895 -1.295 18032
7239 1 14 . 1 1 24 24 THR HA H 24 5.290 5.290 5.126 0.164 18032
7240 1 14 . 1 1 24 24 THR CA C 24 59.000 59.000 58.990 0.010 18032
7241 1 14 . 1 1 24 24 THR CB C 24 69.800 69.800 69.765 0.035 18032
7242 1 14 . 1 1 24 24 THR H H 24 8.580 8.580 8.467 0.113 18032
7243 1 14 . 1 1 25 25 PRO HA H 25 3.770 3.770 4.002 -0.232 18032
7244 1 14 . 1 1 25 25 PRO C C 25 176.200 176.200 177.229 -1.029 18032
7245 1 14 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.997 -0.097 18032
7246 1 14 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.464 0.336 18032
7247 1 14 . 1 1 26 26 GLU N N 26 110.900 110.900 112.066 -1.166 18032
7248 1 14 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.290 -0.120 18032
7249 1 14 . 1 1 26 26 GLU C C 26 176.900 176.900 175.982 0.918 18032
7250 1 14 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.939 0.361 18032
7251 1 14 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.986 0.514 18032
7252 1 14 . 1 1 26 26 GLU H H 26 7.380 7.380 8.601 -1.221 18032
7253 1 14 . 1 1 27 27 SER N N 27 118.100 118.100 118.273 -0.173 18032
7254 1 14 . 1 1 27 27 SER HA H 27 4.300 4.300 4.577 -0.277 18032
7255 1 14 . 1 1 27 27 SER C C 27 172.100 172.100 173.477 -1.377 18032
7256 1 14 . 1 1 27 27 SER CA C 27 61.000 61.000 59.009 1.991 18032
7257 1 14 . 1 1 27 27 SER CB C 27 64.200 64.200 64.148 0.052 18032
7258 1 14 . 1 1 27 27 SER H H 27 8.040 8.040 7.712 0.328 18032
7259 1 14 . 1 1 28 28 HIS N N 28 128.200 128.200 126.179 2.021 18032
7260 1 14 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.883 -0.143 18032
7261 1 14 . 1 1 28 28 HIS C C 28 178.200 178.200 175.804 2.396 18032
7262 1 14 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.164 0.136 18032
7263 1 14 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.694 0.906 18032
7264 1 14 . 1 1 28 28 HIS H H 28 10.680 10.680 9.032 1.648 18032
7265 1 14 . 1 1 29 29 ALA N N 29 130.100 130.100 131.487 -1.387 18032
7266 1 14 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.122 -0.172 18032
7267 1 14 . 1 1 29 29 ALA C C 29 175.700 175.700 178.562 -2.862 18032
7268 1 14 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.810 0.090 18032
7269 1 14 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.112 -0.312 18032
7270 1 14 . 1 1 29 29 ALA H H 29 9.270 9.270 8.650 0.620 18032
7271 1 14 . 1 1 30 30 ILE N N 30 113.300 113.300 115.923 -2.623 18032
7272 1 14 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.315 -0.105 18032
7273 1 14 . 1 1 30 30 ILE C C 30 177.200 177.200 177.876 -0.676 18032
7274 1 14 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.729 -0.829 18032
7275 1 14 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.641 0.459 18032
7276 1 14 . 1 1 30 30 ILE H H 30 8.540 8.540 7.802 0.738 18032
7277 1 14 . 1 1 31 31 ASP N N 31 120.600 120.600 119.538 1.062 18032
7278 1 14 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.410 -0.230 18032
7279 1 14 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.163 0.337 18032
7280 1 14 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.190 -1.190 18032
7281 1 14 . 1 1 31 31 ASP H H 31 8.480 8.480 8.386 0.094 18032
7282 1 14 . 1 1 32 32 ASP N N 32 114.200 114.200 118.879 -4.679 18032
7283 1 14 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.709 0.351 18032
7284 1 14 . 1 1 32 32 ASP C C 32 177.500 177.500 178.191 -0.691 18032
7285 1 14 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.576 0.424 18032
7286 1 14 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.245 -0.045 18032
7287 1 14 . 1 1 32 32 ASP H H 32 8.450 8.450 8.025 0.425 18032
7288 1 14 . 1 1 33 33 LEU N N 33 114.000 114.000 118.990 -4.990 18032
7289 1 14 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.331 0.139 18032
7290 1 14 . 1 1 33 33 LEU C C 33 177.400 177.400 177.441 -0.041 18032
7291 1 14 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.592 -0.692 18032
7292 1 14 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.521 -1.321 18032
7293 1 14 . 1 1 33 33 LEU H H 33 7.230 7.230 8.105 -0.875 18032
7294 1 14 . 1 1 34 34 GLY N N 34 107.000 107.000 106.530 0.470 18032
7295 1 14 . 1 1 34 34 GLY C C 34 174.500 174.500 174.472 0.028 18032
7296 1 14 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.332 1.568 18032
7297 1 14 . 1 1 34 34 GLY H H 34 7.330 7.330 8.151 -0.821 18032
7298 1 14 . 1 1 35 35 ILE N N 35 120.700 120.700 121.192 -0.492 18032
7299 1 14 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.211 -0.101 18032
7300 1 14 . 1 1 35 35 ILE C C 35 175.300 175.300 174.977 0.323 18032
7301 1 14 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.187 1.813 18032
7302 1 14 . 1 1 35 35 ILE CB C 35 37.900 37.900 38.831 -0.931 18032
7303 1 14 . 1 1 35 35 ILE H H 35 7.820 7.820 7.937 -0.117 18032
7304 1 14 . 1 1 36 36 ASP N N 36 126.800 126.800 128.439 -1.639 18032
7305 1 14 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.672 0.168 18032
7306 1 14 . 1 1 36 36 ASP C C 36 177.100 177.100 177.146 -0.046 18032
7307 1 14 . 1 1 36 36 ASP CA C 36 52.600 52.600 55.060 -2.460 18032
7308 1 14 . 1 1 36 36 ASP CB C 36 42.500 42.500 41.630 0.870 18032
7309 1 14 . 1 1 36 36 ASP H H 36 8.780 8.780 8.163 0.617 18032
7310 1 14 . 1 1 37 37 SER N N 37 114.000 114.000 116.488 -2.488 18032
7311 1 14 . 1 1 37 37 SER HA H 37 4.170 4.170 4.285 -0.115 18032
7312 1 14 . 1 1 37 37 SER C C 37 175.700 175.700 176.611 -0.911 18032
7313 1 14 . 1 1 37 37 SER CA C 37 60.700 60.700 61.840 -1.140 18032
7314 1 14 . 1 1 37 37 SER CB C 37 65.800 65.800 62.610 3.190 18032
7315 1 14 . 1 1 37 37 SER H H 37 8.750 8.750 8.486 0.264 18032
7316 1 14 . 1 1 38 38 LEU N N 38 123.200 123.200 120.689 2.511 18032
7317 1 14 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.121 0.099 18032
7318 1 14 . 1 1 38 38 LEU C C 38 180.200 180.200 179.192 1.008 18032
7319 1 14 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.802 -0.002 18032
7320 1 14 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.267 -0.267 18032
7321 1 14 . 1 1 38 38 LEU H H 38 8.030 8.030 8.202 -0.172 18032
7322 1 14 . 1 1 39 39 ASP N N 39 121.500 121.500 118.654 2.846 18032
7323 1 14 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.534 -0.094 18032
7324 1 14 . 1 1 39 39 ASP C C 39 179.000 179.000 178.857 0.143 18032
7325 1 14 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.033 0.167 18032
7326 1 14 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.892 0.308 18032
7327 1 14 . 1 1 39 39 ASP H H 39 8.390 8.390 7.642 0.748 18032
7328 1 14 . 1 1 40 40 PHE N N 40 118.900 118.900 121.711 -2.811 18032
7329 1 14 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.390 -0.340 18032
7330 1 14 . 1 1 40 40 PHE C C 40 177.500 177.500 177.120 0.380 18032
7331 1 14 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.590 1.210 18032
7332 1 14 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.440 -1.040 18032
7333 1 14 . 1 1 40 40 PHE H H 40 8.640 8.640 8.301 0.339 18032
7334 1 14 . 1 1 41 41 LEU N N 41 118.800 118.800 120.386 -1.586 18032
7335 1 14 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.820 0.160 18032
7336 1 14 . 1 1 41 41 LEU C C 41 179.300 179.300 178.670 0.630 18032
7337 1 14 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.907 -0.507 18032
7338 1 14 . 1 1 41 41 LEU CB C 41 41.000 41.000 40.937 0.063 18032
7339 1 14 . 1 1 41 41 LEU H H 41 7.660 7.660 8.106 -0.446 18032
7340 1 14 . 1 1 42 42 ASP N N 42 119.700 119.700 119.025 0.675 18032
7341 1 14 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.536 0.054 18032
7342 1 14 . 1 1 42 42 ASP C C 42 179.800 179.800 179.140 0.660 18032
7343 1 14 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.620 -0.020 18032
7344 1 14 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.539 -0.239 18032
7345 1 14 . 1 1 42 42 ASP H H 42 7.320 7.320 7.891 -0.571 18032
7346 1 14 . 1 1 43 43 ILE N N 43 122.700 122.700 120.258 2.442 18032
7347 1 14 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.714 -0.194 18032
7348 1 14 . 1 1 43 43 ILE C C 43 177.100 177.100 177.757 -0.657 18032
7349 1 14 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.920 0.280 18032
7350 1 14 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.603 0.297 18032
7351 1 14 . 1 1 43 43 ILE H H 43 8.090 8.090 7.508 0.582 18032
7352 1 14 . 1 1 44 44 ALA N N 44 122.600 122.600 122.162 0.438 18032
7353 1 14 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.916 -0.056 18032
7354 1 14 . 1 1 44 44 ALA C C 44 178.500 178.500 179.696 -1.196 18032
7355 1 14 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.566 1.134 18032
7356 1 14 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.775 0.525 18032
7357 1 14 . 1 1 44 44 ALA H H 44 8.830 8.830 7.683 1.147 18032
7358 1 14 . 1 1 45 45 PHE N N 45 117.300 117.300 118.687 -1.387 18032
7359 1 14 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.103 0.397 18032
7360 1 14 . 1 1 45 45 PHE C C 45 178.300 178.300 177.574 0.726 18032
7361 1 14 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.871 -1.271 18032
7362 1 14 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.670 0.030 18032
7363 1 14 . 1 1 45 45 PHE H H 45 8.090 8.090 8.364 -0.274 18032
7364 1 14 . 1 1 46 46 ALA N N 46 121.600 121.600 122.585 -0.985 18032
7365 1 14 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.058 0.112 18032
7366 1 14 . 1 1 46 46 ALA C C 46 181.400 181.400 179.318 2.082 18032
7367 1 14 . 1 1 46 46 ALA CA C 46 55.000 55.000 54.980 0.020 18032
7368 1 14 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.127 1.073 18032
7369 1 14 . 1 1 46 46 ALA H H 46 7.780 7.780 7.736 0.044 18032
7370 1 14 . 1 1 47 47 ILE N N 47 122.900 122.900 118.811 4.089 18032
7371 1 14 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.818 -0.038 18032
7372 1 14 . 1 1 47 47 ILE C C 47 177.000 177.000 177.384 -0.384 18032
7373 1 14 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.623 0.377 18032
7374 1 14 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.635 0.366 18032
7375 1 14 . 1 1 47 47 ILE H H 47 8.960 8.960 8.167 0.793 18032
7376 1 14 . 1 1 48 48 ASP N N 48 123.900 123.900 121.562 2.338 18032
7377 1 14 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.407 -0.037 18032
7378 1 14 . 1 1 48 48 ASP C C 48 180.200 180.200 178.534 1.666 18032
7379 1 14 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.665 0.035 18032
7380 1 14 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.950 -0.650 18032
7381 1 14 . 1 1 48 48 ASP H H 48 8.950 8.950 8.036 0.914 18032
7382 1 14 . 1 1 49 49 LYS N N 49 117.500 117.500 118.157 -0.657 18032
7383 1 14 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.108 -0.088 18032
7384 1 14 . 1 1 49 49 LYS C C 49 178.800 178.800 178.728 0.072 18032
7385 1 14 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.484 0.116 18032
7386 1 14 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.490 0.110 18032
7387 1 14 . 1 1 49 49 LYS H H 49 7.590 7.590 7.873 -0.283 18032
7388 1 14 . 1 1 50 50 ALA N N 50 121.100 121.100 122.148 -1.048 18032
7389 1 14 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.101 -0.071 18032
7390 1 14 . 1 1 50 50 ALA C C 50 179.400 179.400 179.186 0.214 18032
7391 1 14 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.395 0.205 18032
7392 1 14 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.692 0.409 18032
7393 1 14 . 1 1 50 50 ALA H H 50 8.180 8.180 7.643 0.537 18032
7394 1 14 . 1 1 51 51 PHE N N 51 111.600 111.600 115.097 -3.497 18032
7395 1 14 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.431 0.110 18032
7396 1 14 . 1 1 51 51 PHE C C 51 176.200 176.200 175.914 0.286 18032
7397 1 14 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.539 -0.139 18032
7398 1 14 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.473 1.027 18032
7399 1 14 . 1 1 51 51 PHE H H 51 8.620 8.620 8.141 0.479 18032
7400 1 14 . 1 1 52 52 GLY N N 52 112.100 112.100 107.466 4.634 18032
7401 1 14 . 1 1 52 52 GLY C C 52 174.900 174.900 174.577 0.323 18032
7402 1 14 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.950 1.550 18032
7403 1 14 . 1 1 52 52 GLY H H 52 8.140 8.140 7.925 0.215 18032
7404 1 14 . 1 1 53 53 ILE N N 53 111.000 111.000 114.381 -3.381 18032
7405 1 14 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.473 0.197 18032
7406 1 14 . 1 1 53 53 ILE C C 53 173.500 173.500 174.243 -0.743 18032
7407 1 14 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.595 0.005 18032
7408 1 14 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.765 3.135 18032
7409 1 14 . 1 1 53 53 ILE H H 53 7.520 7.520 7.310 0.210 18032
7410 1 14 . 1 1 54 54 LYS N N 54 119.600 119.600 121.359 -1.759 18032
7411 1 14 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.799 -0.189 18032
7412 1 14 . 1 1 54 54 LYS C C 54 175.900 175.900 175.965 -0.065 18032
7413 1 14 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.655 -1.355 18032
7414 1 14 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.456 -0.456 18032
7415 1 14 . 1 1 54 54 LYS H H 54 7.940 7.940 8.365 -0.425 18032
7416 1 14 . 1 1 55 55 LEU N N 55 130.800 130.800 125.187 5.613 18032
7417 1 14 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.360 -0.510 18032
7418 1 14 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.376 0.924 18032
7419 1 14 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.641 0.359 18032
7420 1 14 . 1 1 55 55 LEU H H 55 10.700 10.700 8.395 2.305 18032
7421 1 14 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.215 0.385 18032
7422 1 14 . 1 1 56 56 PRO C C 56 174.600 174.600 176.062 -1.462 18032
7423 1 14 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.298 -0.798 18032
7424 1 14 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.991 -2.491 18032
7425 1 14 . 1 1 57 57 LEU N N 57 121.300 121.300 121.323 -0.023 18032
7426 1 14 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.480 -0.070 18032
7427 1 14 . 1 1 57 57 LEU C C 57 179.100 179.100 178.245 0.855 18032
7428 1 14 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.231 0.969 18032
7429 1 14 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.567 0.533 18032
7430 1 14 . 1 1 57 57 LEU H H 57 7.490 7.490 7.668 -0.178 18032
7431 1 14 . 1 1 58 58 GLU N N 58 119.200 119.200 118.262 0.938 18032
7432 1 14 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.914 0.066 18032
7433 1 14 . 1 1 58 58 GLU C C 58 178.500 178.500 178.699 -0.199 18032
7434 1 14 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.584 0.316 18032
7435 1 14 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.212 -0.512 18032
7436 1 14 . 1 1 58 58 GLU H H 58 8.860 8.860 8.390 0.469 18032
7437 1 14 . 1 1 59 59 LYS N N 59 122.100 122.100 120.118 1.982 18032
7438 1 14 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.096 0.003 18032
7439 1 14 . 1 1 59 59 LYS C C 59 178.700 178.700 179.105 -0.405 18032
7440 1 14 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.277 -0.377 18032
7441 1 14 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.334 -0.134 18032
7442 1 14 . 1 1 59 59 LYS H H 59 7.420 7.420 7.353 0.067 18032
7443 1 14 . 1 1 60 60 TRP N N 60 120.000 120.000 118.336 1.664 18032
7444 1 14 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.407 -0.207 18032
7445 1 14 . 1 1 60 60 TRP C C 60 178.300 178.300 179.493 -1.193 18032
7446 1 14 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.866 -0.166 18032
7447 1 14 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.829 0.771 18032
7448 1 14 . 1 1 60 60 TRP H H 60 8.140 8.140 8.008 0.132 18032
7449 1 14 . 1 1 61 61 THR N N 61 113.200 113.200 115.391 -2.191 18032
7450 1 14 . 1 1 61 61 THR HA H 61 3.870 3.870 4.216 -0.346 18032
7451 1 14 . 1 1 61 61 THR C C 61 176.300 176.300 177.069 -0.769 18032
7452 1 14 . 1 1 61 61 THR CA C 61 67.100 67.100 67.047 0.053 18032
7453 1 14 . 1 1 61 61 THR CB C 61 68.900 68.900 68.545 0.355 18032
7454 1 14 . 1 1 61 61 THR H H 61 8.390 8.390 8.353 0.037 18032
7455 1 14 . 1 1 62 62 GLN N N 62 122.300 122.300 121.332 0.968 18032
7456 1 14 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.067 -0.027 18032
7457 1 14 . 1 1 62 62 GLN C C 62 177.900 177.900 178.324 -0.424 18032
7458 1 14 . 1 1 62 62 GLN CA C 62 59.000 59.000 59.477 -0.478 18032
7459 1 14 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.622 -0.522 18032
7460 1 14 . 1 1 62 62 GLN H H 62 7.810 7.810 7.754 0.056 18032
7461 1 14 . 1 1 63 63 GLU N N 63 119.000 119.000 120.302 -1.302 18032
7462 1 14 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.150 -0.080 18032
7463 1 14 . 1 1 63 63 GLU C C 63 180.000 180.000 179.606 0.394 18032
7464 1 14 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.475 0.725 18032
7465 1 14 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.670 0.730 18032
7466 1 14 . 1 1 63 63 GLU H H 63 8.410 8.410 8.202 0.208 18032
7467 1 14 . 1 1 64 64 VAL N N 64 119.600 119.600 120.664 -1.064 18032
7468 1 14 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.126 -0.006 18032
7469 1 14 . 1 1 64 64 VAL C C 64 180.600 180.600 178.689 1.911 18032
7470 1 14 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.187 -0.787 18032
7471 1 14 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.365 0.535 18032
7472 1 14 . 1 1 64 64 VAL H H 64 8.170 8.170 8.066 0.104 18032
7473 1 14 . 1 1 65 65 ASN N N 65 121.700 121.700 118.347 3.353 18032
7474 1 14 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.563 -0.053 18032
7475 1 14 . 1 1 65 65 ASN C C 65 177.300 177.300 176.570 0.730 18032
7476 1 14 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.987 0.313 18032
7477 1 14 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.675 -0.575 18032
7478 1 14 . 1 1 65 65 ASN H H 65 8.550 8.550 8.026 0.524 18032
7479 1 14 . 1 1 66 66 ASP N N 66 118.000 118.000 116.247 1.753 18032
7480 1 14 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.836 -0.066 18032
7481 1 14 . 1 1 66 66 ASP C C 66 177.000 177.000 176.575 0.425 18032
7482 1 14 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.247 0.553 18032
7483 1 14 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.918 0.382 18032
7484 1 14 . 1 1 66 66 ASP H H 66 8.470 8.470 7.975 0.495 18032
7485 1 14 . 1 1 67 67 GLY N N 67 108.600 108.600 108.403 0.197 18032
7486 1 14 . 1 1 67 67 GLY C C 67 174.800 174.800 175.754 -0.954 18032
7487 1 14 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.407 -0.407 18032
7488 1 14 . 1 1 67 67 GLY H H 67 8.100 8.100 7.651 0.449 18032
7489 1 14 . 1 1 68 68 LYS N N 68 118.900 118.900 119.354 -0.454 18032
7490 1 14 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.196 0.114 18032
7491 1 14 . 1 1 68 68 LYS C C 68 175.100 175.100 176.820 -1.720 18032
7492 1 14 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.062 -0.662 18032
7493 1 14 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.070 0.430 18032
7494 1 14 . 1 1 68 68 LYS H H 68 8.400 8.400 8.128 0.272 18032
7495 1 14 . 1 1 69 69 ALA N N 69 120.400 120.400 121.797 -1.397 18032
7496 1 14 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.691 -0.061 18032
7497 1 14 . 1 1 69 69 ALA C C 69 175.900 175.900 175.441 0.459 18032
7498 1 14 . 1 1 69 69 ALA CA C 69 50.500 50.500 51.448 -0.948 18032
7499 1 14 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.127 2.873 18032
7500 1 14 . 1 1 69 69 ALA H H 69 7.490 7.490 7.621 -0.131 18032
7501 1 14 . 1 1 70 70 THR N N 70 109.700 109.700 116.814 -7.114 18032
7502 1 14 . 1 1 70 70 THR HA H 70 4.750 4.750 4.440 0.310 18032
7503 1 14 . 1 1 70 70 THR C C 70 175.600 175.600 176.186 -0.586 18032
7504 1 14 . 1 1 70 70 THR CA C 70 59.600 59.600 62.776 -3.176 18032
7505 1 14 . 1 1 70 70 THR CB C 70 70.700 70.700 69.867 0.833 18032
7506 1 14 . 1 1 70 70 THR H H 70 7.930 7.930 8.249 -0.319 18032
7507 1 14 . 1 1 71 71 THR N N 71 111.300 111.300 119.083 -7.783 18032
7508 1 14 . 1 1 71 71 THR HA H 71 4.110 4.110 4.201 -0.091 18032
7509 1 14 . 1 1 71 71 THR C C 71 177.500 177.500 176.808 0.692 18032
7510 1 14 . 1 1 71 71 THR CA C 71 65.100 65.100 67.411 -2.311 18032
7511 1 14 . 1 1 71 71 THR CB C 71 68.900 68.900 68.870 0.030 18032
7512 1 14 . 1 1 71 71 THR H H 71 9.030 9.030 8.594 0.436 18032
7513 1 14 . 1 1 72 72 GLU N N 72 122.300 122.300 121.206 1.094 18032
7514 1 14 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.224 -0.364 18032
7515 1 14 . 1 1 72 72 GLU C C 72 177.500 177.500 178.987 -1.487 18032
7516 1 14 . 1 1 72 72 GLU CA C 72 59.900 59.900 60.397 -0.497 18032
7517 1 14 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.872 0.128 18032
7518 1 14 . 1 1 72 72 GLU H H 72 8.830 8.830 8.810 0.020 18032
7519 1 14 . 1 1 73 73 GLN N N 73 116.900 116.900 117.405 -0.505 18032
7520 1 14 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.875 -0.245 18032
7521 1 14 . 1 1 73 73 GLN C C 73 174.000 174.000 177.398 -3.398 18032
7522 1 14 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.388 -0.388 18032
7523 1 14 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.198 0.403 18032
7524 1 14 . 1 1 73 73 GLN H H 73 7.280 7.280 7.882 -0.602 18032
7525 1 14 . 1 1 74 74 TYR N N 74 112.700 112.700 115.571 -2.871 18032
7526 1 14 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.101 -0.021 18032
7527 1 14 . 1 1 74 74 TYR C C 74 173.900 173.900 177.285 -3.385 18032
7528 1 14 . 1 1 74 74 TYR CA C 74 56.800 56.800 59.024 -2.224 18032
7529 1 14 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.433 0.867 18032
7530 1 14 . 1 1 74 74 TYR H H 74 6.310 6.310 7.472 -1.162 18032
7531 1 14 . 1 1 75 75 PHE N N 75 108.000 108.000 116.417 -8.417 18032
7532 1 14 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.419 0.241 18032
7533 1 14 . 1 1 75 75 PHE C C 75 177.900 177.900 174.957 2.943 18032
7534 1 14 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.551 -2.151 18032
7535 1 14 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.697 0.003 18032
7536 1 14 . 1 1 75 75 PHE H H 75 7.760 7.760 8.320 -0.560 18032
7537 1 14 . 1 1 76 76 VAL N N 76 120.700 120.700 120.934 -0.234 18032
7538 1 14 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.346 0.424 18032
7539 1 14 . 1 1 76 76 VAL C C 76 180.000 180.000 177.039 2.961 18032
7540 1 14 . 1 1 76 76 VAL CA C 76 62.900 62.900 62.111 0.789 18032
7541 1 14 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.403 -0.203 18032
7542 1 14 . 1 1 76 76 VAL H H 76 7.010 7.010 7.535 -0.525 18032
7543 1 14 . 1 1 77 77 LEU N N 77 131.600 131.600 128.766 2.834 18032
7544 1 14 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.050 -0.020 18032
7545 1 14 . 1 1 77 77 LEU C C 77 179.000 179.000 179.224 -0.224 18032
7546 1 14 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.531 0.569 18032
7547 1 14 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.038 -0.038 18032
7548 1 14 . 1 1 77 77 LEU H H 77 8.860 8.860 8.884 -0.024 18032
7549 1 14 . 1 1 78 78 LYS N N 78 116.700 116.700 119.191 -2.491 18032
7550 1 14 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.007 0.203 18032
7551 1 14 . 1 1 78 78 LYS C C 78 178.000 178.000 178.778 -0.778 18032
7552 1 14 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.138 -0.038 18032
7553 1 14 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.739 -0.639 18032
7554 1 14 . 1 1 78 78 LYS H H 78 9.540 9.540 8.192 1.348 18032
7555 1 14 . 1 1 79 79 ASN N N 79 121.500 121.500 119.406 2.094 18032
7556 1 14 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.497 0.153 18032
7557 1 14 . 1 1 79 79 ASN C C 79 176.200 176.200 177.371 -1.171 18032
7558 1 14 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.772 -1.172 18032
7559 1 14 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.039 -0.839 18032
7560 1 14 . 1 1 79 79 ASN H H 79 7.340 7.340 8.014 -0.674 18032
7561 1 14 . 1 1 80 80 LEU N N 80 124.300 124.300 122.499 1.801 18032
7562 1 14 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.260 -0.230 18032
7563 1 14 . 1 1 80 80 LEU C C 80 178.700 178.700 178.031 0.669 18032
7564 1 14 . 1 1 80 80 LEU CA C 80 58.800 58.800 57.887 0.913 18032
7565 1 14 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.693 -0.893 18032
7566 1 14 . 1 1 80 80 LEU H H 80 8.260 8.260 8.499 -0.239 18032
7567 1 14 . 1 1 81 81 ALA N N 81 118.100 118.100 120.208 -2.108 18032
7568 1 14 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.931 -0.061 18032
7569 1 14 . 1 1 81 81 ALA C C 81 177.600 177.600 179.100 -1.500 18032
7570 1 14 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.815 0.385 18032
7571 1 14 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.942 -0.642 18032
7572 1 14 . 1 1 81 81 ALA H H 81 8.580 8.580 7.776 0.804 18032
7573 1 14 . 1 1 82 82 ALA N N 82 119.800 119.800 121.816 -2.016 18032
7574 1 14 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.019 0.191 18032
7575 1 14 . 1 1 82 82 ALA C C 82 180.700 180.700 179.632 1.068 18032
7576 1 14 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.863 0.537 18032
7577 1 14 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.182 -0.282 18032
7578 1 14 . 1 1 82 82 ALA H H 82 7.230 7.230 7.591 -0.361 18032
7579 1 14 . 1 1 83 83 ARG N N 83 118.300 118.300 118.654 -0.354 18032
7580 1 14 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.152 0.188 18032
7581 1 14 . 1 1 83 83 ARG C C 83 180.500 180.500 179.310 1.190 18032
7582 1 14 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.172 0.328 18032
7583 1 14 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.395 2.505 18032
7584 1 14 . 1 1 83 83 ARG H H 83 8.510 8.510 7.872 0.638 18032
7585 1 14 . 1 1 84 84 ILE N N 84 121.300 121.300 119.392 1.908 18032
7586 1 14 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.691 -0.311 18032
7587 1 14 . 1 1 84 84 ILE C C 84 177.300 177.300 177.773 -0.473 18032
7588 1 14 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.292 0.908 18032
7589 1 14 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.392 0.308 18032
7590 1 14 . 1 1 84 84 ILE H H 84 8.340 8.340 7.986 0.354 18032
7591 1 14 . 1 1 85 85 ASP N N 85 120.200 120.200 120.019 0.181 18032
7592 1 14 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.285 0.125 18032
7593 1 14 . 1 1 85 85 ASP C C 85 180.200 180.200 178.583 1.617 18032
7594 1 14 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.133 0.867 18032
7595 1 14 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.921 -1.421 18032
7596 1 14 . 1 1 85 85 ASP H H 85 8.330 8.330 7.725 0.605 18032
7597 1 14 . 1 1 86 86 GLU N N 86 121.100 121.100 119.272 1.828 18032
7598 1 14 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.161 -0.041 18032
7599 1 14 . 1 1 86 86 GLU C C 86 179.800 179.800 179.262 0.538 18032
7600 1 14 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.811 0.489 18032
7601 1 14 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.797 -0.297 18032
7602 1 14 . 1 1 86 86 GLU H H 86 8.060 8.060 8.076 -0.016 18032
7603 1 14 . 1 1 87 87 LEU N N 87 122.700 122.700 119.926 2.774 18032
7604 1 14 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.215 -0.015 18032
7605 1 14 . 1 1 87 87 LEU C C 87 180.500 180.500 178.918 1.582 18032
7606 1 14 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.160 1.040 18032
7607 1 14 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.023 0.077 18032
7608 1 14 . 1 1 87 87 LEU H H 87 8.090 8.090 7.599 0.491 18032
7609 1 14 . 1 1 88 88 VAL N N 88 122.800 122.800 119.218 3.582 18032
7610 1 14 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.682 -0.142 18032
7611 1 14 . 1 1 88 88 VAL C C 88 179.200 179.200 177.697 1.503 18032
7612 1 14 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.169 0.631 18032
7613 1 14 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.682 0.618 18032
7614 1 14 . 1 1 88 88 VAL H H 88 9.030 9.030 8.017 1.013 18032
7615 1 14 . 1 1 89 89 ALA N N 89 122.900 122.900 121.758 1.142 18032
7616 1 14 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.150 0.070 18032
7617 1 14 . 1 1 89 89 ALA C C 89 180.000 180.000 179.072 0.928 18032
7618 1 14 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.009 -0.309 18032
7619 1 14 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.045 -0.045 18032
7620 1 14 . 1 1 89 89 ALA H H 89 8.170 8.170 7.913 0.257 18032
7621 1 14 . 1 1 90 90 ALA N N 90 120.100 120.100 120.309 -0.209 18032
7622 1 14 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.126 0.144 18032
7623 1 14 . 1 1 90 90 ALA C C 90 179.200 179.200 179.104 0.096 18032
7624 1 14 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.754 -0.854 18032
7625 1 14 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.327 0.173 18032
7626 1 14 . 1 1 90 90 ALA H H 90 7.820 7.820 7.738 0.082 18032
7627 1 14 . 1 1 91 91 LYS N N 91 118.900 118.900 118.224 0.676 18032
7628 1 14 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.244 -0.054 18032
7629 1 14 . 1 1 91 91 LYS C C 91 178.400 178.400 178.110 0.290 18032
7630 1 14 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.075 0.425 18032
7631 1 14 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.608 -0.208 18032
7632 1 14 . 1 1 91 91 LYS H H 91 7.660 7.660 7.568 0.092 18032
7633 1 14 . 1 1 92 92 GLY N N 92 107.200 107.200 106.472 0.728 18032
7634 1 14 . 1 1 92 92 GLY C C 92 174.700 174.700 174.677 0.023 18032
7635 1 14 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.667 0.333 18032
7636 1 14 . 1 1 92 92 GLY H H 92 8.090 8.090 7.848 0.242 18032
7637 1 14 . 1 1 93 93 ALA N N 93 123.300 123.300 121.839 1.461 18032
7638 1 14 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.469 -0.149 18032
7639 1 14 . 1 1 93 93 ALA C C 93 178.300 178.300 177.095 1.205 18032
7640 1 14 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.345 0.755 18032
7641 1 14 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.791 -0.791 18032
7642 1 14 . 1 1 93 93 ALA H H 93 7.900 7.900 8.000 -0.100 18032
7643 1 14 . 1 1 94 94 LEU N N 94 119.800 119.800 120.148 -0.348 18032
7644 1 14 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.322 -0.032 18032
7645 1 14 . 1 1 94 94 LEU C C 94 177.900 177.900 176.167 1.733 18032
7646 1 14 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.819 1.081 18032
7647 1 14 . 1 1 94 94 LEU CB C 94 42.300 42.300 42.716 -0.416 18032
7648 1 14 . 1 1 94 94 LEU H H 94 7.940 7.940 7.974 -0.034 18032
7649 1 14 . 1 1 95 95 GLU N N 95 120.100 120.100 114.317 5.783 18032
7650 1 14 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.503 -0.313 18032
7651 1 14 . 1 1 95 95 GLU C C 95 176.500 176.500 175.270 1.230 18032
7652 1 14 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.058 -0.158 18032
7653 1 14 . 1 1 95 95 GLU CB C 95 30.200 30.200 31.208 -1.008 18032
7654 1 14 . 1 1 95 95 GLU H H 95 8.130 8.130 8.581 -0.451 18032
7655 1 14 . 1 1 96 96 HIS N N 96 119.200 119.200 111.709 7.491 18032
7656 1 14 . 1 1 96 96 HIS CA C 96 56.300 56.300 55.257 1.043 18032
7657 1 14 . 1 1 96 96 HIS CB C 96 30.300 30.300 30.651 -0.351 18032
7658 1 14 . 1 1 96 96 HIS H H 96 8.160 8.160 7.463 0.697 18032
7659 1 15 . 1 1 2 2 THR HA H 2 4.580 4.580 4.593 -0.013 18032
7660 1 15 . 1 1 2 2 THR C C 2 174.500 174.500 174.840 -0.340 18032
7661 1 15 . 1 1 2 2 THR CA C 2 61.700 61.700 61.769 -0.069 18032
7662 1 15 . 1 1 2 2 THR CB C 2 70.400 70.400 69.651 0.749 18032
7663 1 15 . 1 1 3 3 SER N N 3 120.600 120.600 122.280 -1.680 18032
7664 1 15 . 1 1 3 3 SER HA H 3 4.770 4.770 4.535 0.235 18032
7665 1 15 . 1 1 3 3 SER C C 3 175.100 175.100 176.269 -1.169 18032
7666 1 15 . 1 1 3 3 SER CA C 3 58.300 58.300 58.521 -0.221 18032
7667 1 15 . 1 1 3 3 SER CB C 3 65.000 65.000 64.566 0.434 18032
7668 1 15 . 1 1 3 3 SER H H 3 9.090 9.090 8.392 0.698 18032
7669 1 15 . 1 1 4 4 THR N N 4 120.500 120.500 118.758 1.742 18032
7670 1 15 . 1 1 4 4 THR HA H 4 4.230 4.230 4.323 -0.093 18032
7671 1 15 . 1 1 4 4 THR C C 4 176.200 176.200 176.563 -0.363 18032
7672 1 15 . 1 1 4 4 THR CA C 4 67.700 67.700 67.058 0.641 18032
7673 1 15 . 1 1 4 4 THR CB C 4 67.500 67.500 68.903 -1.403 18032
7674 1 15 . 1 1 4 4 THR H H 4 8.890 8.890 8.957 -0.067 18032
7675 1 15 . 1 1 5 5 PHE N N 5 121.100 121.100 122.458 -1.358 18032
7676 1 15 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.299 -0.499 18032
7677 1 15 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.380 1.320 18032
7678 1 15 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.372 0.328 18032
7679 1 15 . 1 1 5 5 PHE H H 5 9.110 9.110 8.525 0.585 18032
7680 1 15 . 1 1 6 6 ASP N N 6 119.800 119.800 118.678 1.122 18032
7681 1 15 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.060 -0.220 18032
7682 1 15 . 1 1 6 6 ASP C C 6 179.200 179.200 178.741 0.459 18032
7683 1 15 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.313 -0.413 18032
7684 1 15 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.344 0.556 18032
7685 1 15 . 1 1 6 6 ASP H H 6 8.120 8.120 8.476 -0.356 18032
7686 1 15 . 1 1 7 7 ARG N N 7 119.200 119.200 119.512 -0.312 18032
7687 1 15 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.081 -0.011 18032
7688 1 15 . 1 1 7 7 ARG C C 7 179.400 179.400 178.758 0.642 18032
7689 1 15 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.599 0.701 18032
7690 1 15 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.893 1.207 18032
7691 1 15 . 1 1 7 7 ARG H H 7 8.020 8.020 7.707 0.313 18032
7692 1 15 . 1 1 8 8 VAL N N 8 120.600 120.600 120.194 0.406 18032
7693 1 15 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.712 -0.202 18032
7694 1 15 . 1 1 8 8 VAL C C 8 176.800 176.800 177.837 -1.037 18032
7695 1 15 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.907 0.093 18032
7696 1 15 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.407 0.193 18032
7697 1 15 . 1 1 8 8 VAL H H 8 8.520 8.520 8.394 0.126 18032
7698 1 15 . 1 1 9 9 ALA N N 9 122.800 122.800 120.785 2.015 18032
7699 1 15 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.909 -0.239 18032
7700 1 15 . 1 1 9 9 ALA C C 9 179.000 179.000 179.574 -0.574 18032
7701 1 15 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.452 0.348 18032
7702 1 15 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.686 -0.486 18032
7703 1 15 . 1 1 9 9 ALA H H 9 8.920 8.920 8.211 0.709 18032
7704 1 15 . 1 1 10 10 THR N N 10 114.300 114.300 115.921 -1.621 18032
7705 1 15 . 1 1 10 10 THR HA H 10 3.800 3.800 4.002 -0.202 18032
7706 1 15 . 1 1 10 10 THR C C 10 175.500 175.500 176.564 -1.064 18032
7707 1 15 . 1 1 10 10 THR CA C 10 67.400 67.400 67.819 -0.419 18032
7708 1 15 . 1 1 10 10 THR CB C 10 68.900 68.900 68.509 0.391 18032
7709 1 15 . 1 1 10 10 THR H H 10 7.790 7.790 7.645 0.145 18032
7710 1 15 . 1 1 11 11 ILE N N 11 122.100 122.100 121.827 0.273 18032
7711 1 15 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.646 0.234 18032
7712 1 15 . 1 1 11 11 ILE C C 11 179.700 179.700 177.725 1.975 18032
7713 1 15 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.572 -0.072 18032
7714 1 15 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.699 0.901 18032
7715 1 15 . 1 1 11 11 ILE H H 11 7.760 7.760 8.021 -0.261 18032
7716 1 15 . 1 1 12 12 ILE N N 12 123.100 123.100 119.853 3.247 18032
7717 1 15 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.664 -0.254 18032
7718 1 15 . 1 1 12 12 ILE C C 12 176.800 176.800 177.676 -0.876 18032
7719 1 15 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.269 1.731 18032
7720 1 15 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.443 0.457 18032
7721 1 15 . 1 1 12 12 ILE H H 12 8.750 8.750 7.981 0.769 18032
7722 1 15 . 1 1 13 13 ALA N N 13 122.600 122.600 123.010 -0.410 18032
7723 1 15 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.237 0.043 18032
7724 1 15 . 1 1 13 13 ALA C C 13 180.700 180.700 179.589 1.111 18032
7725 1 15 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.218 0.482 18032
7726 1 15 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.362 0.238 18032
7727 1 15 . 1 1 13 13 ALA H H 13 8.430 8.430 8.074 0.356 18032
7728 1 15 . 1 1 14 14 GLU N N 14 114.500 114.500 115.473 -0.973 18032
7729 1 15 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.181 0.009 18032
7730 1 15 . 1 1 14 14 GLU C C 14 179.100 179.100 178.613 0.487 18032
7731 1 15 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.132 0.269 18032
7732 1 15 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.308 0.692 18032
7733 1 15 . 1 1 14 14 GLU H H 14 8.290 8.290 8.127 0.163 18032
7734 1 15 . 1 1 15 15 THR N N 15 115.500 115.500 114.337 1.163 18032
7735 1 15 . 1 1 15 15 THR HA H 15 4.080 4.080 4.174 -0.094 18032
7736 1 15 . 1 1 15 15 THR C C 15 176.200 176.200 175.756 0.444 18032
7737 1 15 . 1 1 15 15 THR CA C 15 66.500 66.500 65.112 1.389 18032
7738 1 15 . 1 1 15 15 THR CB C 15 69.400 69.400 69.465 -0.065 18032
7739 1 15 . 1 1 15 15 THR H H 15 8.390 8.390 7.984 0.406 18032
7740 1 15 . 1 1 16 16 CYS N N 16 116.000 116.000 117.925 -1.925 18032
7741 1 15 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.801 -0.231 18032
7742 1 15 . 1 1 16 16 CYS C C 16 173.700 173.700 173.765 -0.065 18032
7743 1 15 . 1 1 16 16 CYS CA C 16 59.200 59.200 57.746 1.454 18032
7744 1 15 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.127 1.474 18032
7745 1 15 . 1 1 16 16 CYS H H 16 8.130 8.130 7.987 0.143 18032
7746 1 15 . 1 1 17 17 ASP N N 17 119.900 119.900 120.388 -0.488 18032
7747 1 15 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.427 -0.017 18032
7748 1 15 . 1 1 17 17 ASP C C 17 174.700 174.700 174.888 -0.188 18032
7749 1 15 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.136 0.064 18032
7750 1 15 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.880 -0.980 18032
7751 1 15 . 1 1 17 17 ASP H H 17 7.740 7.740 7.947 -0.207 18032
7752 1 15 . 1 1 18 18 ILE N N 18 119.100 119.100 120.669 -1.569 18032
7753 1 15 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.582 0.008 18032
7754 1 15 . 1 1 18 18 ILE C C 18 179.400 179.400 174.054 5.346 18032
7755 1 15 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.959 0.841 18032
7756 1 15 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.533 3.467 18032
7757 1 15 . 1 1 18 18 ILE H H 18 7.410 7.410 7.546 -0.136 18032
7758 1 15 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.424 -0.054 18032
7759 1 15 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.276 -0.176 18032
7760 1 15 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.126 -0.026 18032
7761 1 15 . 1 1 20 20 ARG N N 20 129.100 129.100 126.398 2.702 18032
7762 1 15 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.973 -0.113 18032
7763 1 15 . 1 1 20 20 ARG C C 20 178.500 178.500 178.225 0.275 18032
7764 1 15 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.306 -0.506 18032
7765 1 15 . 1 1 20 20 ARG CB C 20 29.500 29.500 30.045 -0.545 18032
7766 1 15 . 1 1 20 20 ARG H H 20 9.150 9.150 8.773 0.377 18032
7767 1 15 . 1 1 21 21 GLU N N 21 117.300 117.300 115.523 1.777 18032
7768 1 15 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.138 0.162 18032
7769 1 15 . 1 1 21 21 GLU C C 21 177.200 177.200 177.042 0.158 18032
7770 1 15 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.684 -0.084 18032
7771 1 15 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.956 -0.456 18032
7772 1 15 . 1 1 21 21 GLU H H 21 9.820 9.820 8.571 1.249 18032
7773 1 15 . 1 1 22 22 THR N N 22 110.200 110.200 109.326 0.874 18032
7774 1 15 . 1 1 22 22 THR HA H 22 4.340 4.340 4.340 -0.000 18032
7775 1 15 . 1 1 22 22 THR C C 22 173.000 173.000 174.977 -1.977 18032
7776 1 15 . 1 1 22 22 THR CA C 22 62.300 62.300 62.378 -0.078 18032
7777 1 15 . 1 1 22 22 THR CB C 22 70.000 70.000 69.330 0.670 18032
7778 1 15 . 1 1 22 22 THR H H 22 7.780 7.780 7.496 0.284 18032
7779 1 15 . 1 1 23 23 ILE N N 23 122.600 122.600 125.492 -2.892 18032
7780 1 15 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.082 -0.082 18032
7781 1 15 . 1 1 23 23 ILE C C 23 174.700 174.700 176.119 -1.419 18032
7782 1 15 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.860 0.740 18032
7783 1 15 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.441 1.059 18032
7784 1 15 . 1 1 23 23 ILE H H 23 7.590 7.590 7.300 0.290 18032
7785 1 15 . 1 1 24 24 THR N N 24 118.600 118.600 120.414 -1.814 18032
7786 1 15 . 1 1 24 24 THR HA H 24 5.290 5.290 4.902 0.388 18032
7787 1 15 . 1 1 24 24 THR CA C 24 59.000 59.000 59.063 -0.063 18032
7788 1 15 . 1 1 24 24 THR CB C 24 69.800 69.800 69.399 0.401 18032
7789 1 15 . 1 1 24 24 THR H H 24 8.580 8.580 8.014 0.566 18032
7790 1 15 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.782 -0.012 18032
7791 1 15 . 1 1 25 25 PRO C C 25 176.200 176.200 177.185 -0.985 18032
7792 1 15 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.307 0.593 18032
7793 1 15 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.431 0.369 18032
7794 1 15 . 1 1 26 26 GLU N N 26 110.900 110.900 115.900 -5.000 18032
7795 1 15 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.345 -0.175 18032
7796 1 15 . 1 1 26 26 GLU C C 26 176.900 176.900 175.735 1.165 18032
7797 1 15 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.254 1.046 18032
7798 1 15 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.051 0.449 18032
7799 1 15 . 1 1 26 26 GLU H H 26 7.380 7.380 8.389 -1.009 18032
7800 1 15 . 1 1 27 27 SER N N 27 118.100 118.100 115.895 2.205 18032
7801 1 15 . 1 1 27 27 SER HA H 27 4.300 4.300 4.494 -0.194 18032
7802 1 15 . 1 1 27 27 SER C C 27 172.100 172.100 173.427 -1.327 18032
7803 1 15 . 1 1 27 27 SER CA C 27 61.000 61.000 57.571 3.429 18032
7804 1 15 . 1 1 27 27 SER CB C 27 64.200 64.200 64.306 -0.106 18032
7805 1 15 . 1 1 27 27 SER H H 27 8.040 8.040 7.432 0.608 18032
7806 1 15 . 1 1 28 28 HIS N N 28 128.200 128.200 127.285 0.915 18032
7807 1 15 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.819 -0.079 18032
7808 1 15 . 1 1 28 28 HIS C C 28 178.200 178.200 175.723 2.477 18032
7809 1 15 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.003 0.297 18032
7810 1 15 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.289 1.311 18032
7811 1 15 . 1 1 28 28 HIS H H 28 10.680 10.680 8.906 1.774 18032
7812 1 15 . 1 1 29 29 ALA N N 29 130.100 130.100 131.396 -1.296 18032
7813 1 15 . 1 1 29 29 ALA HA H 29 3.950 3.950 3.999 -0.049 18032
7814 1 15 . 1 1 29 29 ALA C C 29 175.700 175.700 178.361 -2.661 18032
7815 1 15 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.545 0.355 18032
7816 1 15 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.699 0.101 18032
7817 1 15 . 1 1 29 29 ALA H H 29 9.270 9.270 8.739 0.531 18032
7818 1 15 . 1 1 30 30 ILE N N 30 113.300 113.300 116.410 -3.110 18032
7819 1 15 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.389 -0.179 18032
7820 1 15 . 1 1 30 30 ILE C C 30 177.200 177.200 177.817 -0.617 18032
7821 1 15 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.770 -0.870 18032
7822 1 15 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.536 0.564 18032
7823 1 15 . 1 1 30 30 ILE H H 30 8.540 8.540 7.751 0.789 18032
7824 1 15 . 1 1 31 31 ASP N N 31 120.600 120.600 119.214 1.386 18032
7825 1 15 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.344 -0.164 18032
7826 1 15 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.953 0.547 18032
7827 1 15 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.149 -1.149 18032
7828 1 15 . 1 1 31 31 ASP H H 31 8.480 8.480 8.272 0.208 18032
7829 1 15 . 1 1 32 32 ASP N N 32 114.200 114.200 118.473 -4.273 18032
7830 1 15 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.541 0.519 18032
7831 1 15 . 1 1 32 32 ASP C C 32 177.500 177.500 178.400 -0.900 18032
7832 1 15 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.072 -0.072 18032
7833 1 15 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.691 0.509 18032
7834 1 15 . 1 1 32 32 ASP H H 32 8.450 8.450 7.956 0.494 18032
7835 1 15 . 1 1 33 33 LEU N N 33 114.000 114.000 119.331 -5.331 18032
7836 1 15 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.299 0.171 18032
7837 1 15 . 1 1 33 33 LEU C C 33 177.400 177.400 178.153 -0.753 18032
7838 1 15 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.858 -0.958 18032
7839 1 15 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.675 -1.475 18032
7840 1 15 . 1 1 33 33 LEU H H 33 7.230 7.230 8.128 -0.898 18032
7841 1 15 . 1 1 34 34 GLY N N 34 107.000 107.000 107.445 -0.445 18032
7842 1 15 . 1 1 34 34 GLY C C 34 174.500 174.500 174.386 0.114 18032
7843 1 15 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.647 1.253 18032
7844 1 15 . 1 1 34 34 GLY H H 34 7.330 7.330 8.323 -0.993 18032
7845 1 15 . 1 1 35 35 ILE N N 35 120.700 120.700 119.831 0.869 18032
7846 1 15 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.296 -0.186 18032
7847 1 15 . 1 1 35 35 ILE C C 35 175.300 175.300 175.019 0.281 18032
7848 1 15 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.167 1.833 18032
7849 1 15 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.881 -1.981 18032
7850 1 15 . 1 1 35 35 ILE H H 35 7.820 7.820 7.848 -0.028 18032
7851 1 15 . 1 1 36 36 ASP N N 36 126.800 126.800 127.963 -1.163 18032
7852 1 15 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.559 0.281 18032
7853 1 15 . 1 1 36 36 ASP C C 36 177.100 177.100 177.337 -0.237 18032
7854 1 15 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.829 -2.229 18032
7855 1 15 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.275 -0.775 18032
7856 1 15 . 1 1 36 36 ASP H H 36 8.780 8.780 8.549 0.231 18032
7857 1 15 . 1 1 37 37 SER N N 37 114.000 114.000 120.135 -6.135 18032
7858 1 15 . 1 1 37 37 SER HA H 37 4.170 4.170 4.402 -0.232 18032
7859 1 15 . 1 1 37 37 SER C C 37 175.700 175.700 176.849 -1.149 18032
7860 1 15 . 1 1 37 37 SER CA C 37 60.700 60.700 61.030 -0.330 18032
7861 1 15 . 1 1 37 37 SER CB C 37 65.800 65.800 63.072 2.728 18032
7862 1 15 . 1 1 37 37 SER H H 37 8.750 8.750 8.614 0.136 18032
7863 1 15 . 1 1 38 38 LEU N N 38 123.200 123.200 120.637 2.563 18032
7864 1 15 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.248 -0.028 18032
7865 1 15 . 1 1 38 38 LEU C C 38 180.200 180.200 178.315 1.885 18032
7866 1 15 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.475 0.325 18032
7867 1 15 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.602 -0.602 18032
7868 1 15 . 1 1 38 38 LEU H H 38 8.030 8.030 8.264 -0.234 18032
7869 1 15 . 1 1 39 39 ASP N N 39 121.500 121.500 119.099 2.401 18032
7870 1 15 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.560 -0.120 18032
7871 1 15 . 1 1 39 39 ASP C C 39 179.000 179.000 178.397 0.603 18032
7872 1 15 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.164 0.036 18032
7873 1 15 . 1 1 39 39 ASP CB C 39 41.200 41.200 41.243 -0.043 18032
7874 1 15 . 1 1 39 39 ASP H H 39 8.390 8.390 7.596 0.794 18032
7875 1 15 . 1 1 40 40 PHE N N 40 118.900 118.900 121.372 -2.472 18032
7876 1 15 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.390 -0.340 18032
7877 1 15 . 1 1 40 40 PHE C C 40 177.500 177.500 176.820 0.680 18032
7878 1 15 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.043 1.757 18032
7879 1 15 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.358 -0.958 18032
7880 1 15 . 1 1 40 40 PHE H H 40 8.640 8.640 8.305 0.335 18032
7881 1 15 . 1 1 41 41 LEU N N 41 118.800 118.800 119.420 -0.620 18032
7882 1 15 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.916 0.064 18032
7883 1 15 . 1 1 41 41 LEU C C 41 179.300 179.300 178.608 0.692 18032
7884 1 15 . 1 1 41 41 LEU CA C 41 58.400 58.400 57.842 0.558 18032
7885 1 15 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.248 -0.248 18032
7886 1 15 . 1 1 41 41 LEU H H 41 7.660 7.660 8.094 -0.434 18032
7887 1 15 . 1 1 42 42 ASP N N 42 119.700 119.700 119.413 0.287 18032
7888 1 15 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.371 0.219 18032
7889 1 15 . 1 1 42 42 ASP C C 42 179.800 179.800 178.466 1.334 18032
7890 1 15 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.254 0.346 18032
7891 1 15 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.915 -0.615 18032
7892 1 15 . 1 1 42 42 ASP H H 42 7.320 7.320 7.548 -0.228 18032
7893 1 15 . 1 1 43 43 ILE N N 43 122.700 122.700 119.637 3.063 18032
7894 1 15 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.707 -0.187 18032
7895 1 15 . 1 1 43 43 ILE C C 43 177.100 177.100 177.771 -0.671 18032
7896 1 15 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.708 0.492 18032
7897 1 15 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.759 0.141 18032
7898 1 15 . 1 1 43 43 ILE H H 43 8.090 8.090 7.213 0.877 18032
7899 1 15 . 1 1 44 44 ALA N N 44 122.600 122.600 121.680 0.920 18032
7900 1 15 . 1 1 44 44 ALA HA H 44 3.860 3.860 4.047 -0.187 18032
7901 1 15 . 1 1 44 44 ALA C C 44 178.500 178.500 179.470 -0.970 18032
7902 1 15 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.459 1.241 18032
7903 1 15 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.907 0.393 18032
7904 1 15 . 1 1 44 44 ALA H H 44 8.830 8.830 7.906 0.924 18032
7905 1 15 . 1 1 45 45 PHE N N 45 117.300 117.300 120.161 -2.861 18032
7906 1 15 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.029 0.471 18032
7907 1 15 . 1 1 45 45 PHE C C 45 178.300 178.300 177.138 1.162 18032
7908 1 15 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.983 -1.383 18032
7909 1 15 . 1 1 45 45 PHE CB C 45 38.700 38.700 39.137 -0.437 18032
7910 1 15 . 1 1 45 45 PHE H H 45 8.090 8.090 7.818 0.272 18032
7911 1 15 . 1 1 46 46 ALA N N 46 121.600 121.600 122.600 -1.000 18032
7912 1 15 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.111 0.059 18032
7913 1 15 . 1 1 46 46 ALA C C 46 181.400 181.400 179.639 1.761 18032
7914 1 15 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.133 -0.133 18032
7915 1 15 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.192 1.008 18032
7916 1 15 . 1 1 46 46 ALA H H 46 7.780 7.780 7.733 0.047 18032
7917 1 15 . 1 1 47 47 ILE N N 47 122.900 122.900 118.235 4.665 18032
7918 1 15 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.748 0.032 18032
7919 1 15 . 1 1 47 47 ILE C C 47 177.000 177.000 177.423 -0.423 18032
7920 1 15 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.350 0.650 18032
7921 1 15 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.514 0.485 18032
7922 1 15 . 1 1 47 47 ILE H H 47 8.960 8.960 7.653 1.307 18032
7923 1 15 . 1 1 48 48 ASP N N 48 123.900 123.900 121.580 2.320 18032
7924 1 15 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.387 -0.017 18032
7925 1 15 . 1 1 48 48 ASP C C 48 180.200 180.200 178.502 1.698 18032
7926 1 15 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.712 -0.012 18032
7927 1 15 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.772 -0.472 18032
7928 1 15 . 1 1 48 48 ASP H H 48 8.950 8.950 8.028 0.922 18032
7929 1 15 . 1 1 49 49 LYS N N 49 117.500 117.500 118.473 -0.973 18032
7930 1 15 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.019 0.001 18032
7931 1 15 . 1 1 49 49 LYS C C 49 178.800 178.800 179.559 -0.759 18032
7932 1 15 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.921 -0.321 18032
7933 1 15 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.371 0.229 18032
7934 1 15 . 1 1 49 49 LYS H H 49 7.590 7.590 7.503 0.087 18032
7935 1 15 . 1 1 50 50 ALA N N 50 121.100 121.100 122.588 -1.488 18032
7936 1 15 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.104 -0.074 18032
7937 1 15 . 1 1 50 50 ALA C C 50 179.400 179.400 179.142 0.258 18032
7938 1 15 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.666 -0.066 18032
7939 1 15 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.511 0.589 18032
7940 1 15 . 1 1 50 50 ALA H H 50 8.180 8.180 7.561 0.619 18032
7941 1 15 . 1 1 51 51 PHE N N 51 111.600 111.600 114.790 -3.190 18032
7942 1 15 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.715 -0.175 18032
7943 1 15 . 1 1 51 51 PHE C C 51 176.200 176.200 175.806 0.394 18032
7944 1 15 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.246 0.154 18032
7945 1 15 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.203 1.297 18032
7946 1 15 . 1 1 51 51 PHE H H 51 8.620 8.620 8.093 0.527 18032
7947 1 15 . 1 1 52 52 GLY N N 52 112.100 112.100 108.315 3.785 18032
7948 1 15 . 1 1 52 52 GLY C C 52 174.900 174.900 174.349 0.551 18032
7949 1 15 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.818 1.682 18032
7950 1 15 . 1 1 52 52 GLY H H 52 8.140 8.140 7.789 0.351 18032
7951 1 15 . 1 1 53 53 ILE N N 53 111.000 111.000 114.175 -3.175 18032
7952 1 15 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.532 0.138 18032
7953 1 15 . 1 1 53 53 ILE C C 53 173.500 173.500 173.976 -0.476 18032
7954 1 15 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.520 0.079 18032
7955 1 15 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.773 2.127 18032
7956 1 15 . 1 1 53 53 ILE H H 53 7.520 7.520 7.570 -0.050 18032
7957 1 15 . 1 1 54 54 LYS N N 54 119.600 119.600 125.288 -5.688 18032
7958 1 15 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.404 0.205 18032
7959 1 15 . 1 1 54 54 LYS C C 54 175.900 175.900 176.330 -0.430 18032
7960 1 15 . 1 1 54 54 LYS CA C 54 53.300 53.300 55.434 -2.134 18032
7961 1 15 . 1 1 54 54 LYS CB C 54 33.000 33.000 32.222 0.778 18032
7962 1 15 . 1 1 54 54 LYS H H 54 7.940 7.940 8.346 -0.406 18032
7963 1 15 . 1 1 55 55 LEU N N 55 130.800 130.800 129.027 1.773 18032
7964 1 15 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.401 -0.551 18032
7965 1 15 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.641 0.659 18032
7966 1 15 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.949 0.051 18032
7967 1 15 . 1 1 55 55 LEU H H 55 10.700 10.700 8.314 2.386 18032
7968 1 15 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.159 0.441 18032
7969 1 15 . 1 1 56 56 PRO C C 56 174.600 174.600 175.762 -1.162 18032
7970 1 15 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.980 -0.480 18032
7971 1 15 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.445 -1.945 18032
7972 1 15 . 1 1 57 57 LEU N N 57 121.300 121.300 120.248 1.052 18032
7973 1 15 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.730 -0.320 18032
7974 1 15 . 1 1 57 57 LEU C C 57 179.100 179.100 177.920 1.180 18032
7975 1 15 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.013 0.187 18032
7976 1 15 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.628 0.472 18032
7977 1 15 . 1 1 57 57 LEU H H 57 7.490 7.490 7.447 0.043 18032
7978 1 15 . 1 1 58 58 GLU N N 58 119.200 119.200 117.885 1.315 18032
7979 1 15 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.984 -0.004 18032
7980 1 15 . 1 1 58 58 GLU C C 58 178.500 178.500 178.612 -0.112 18032
7981 1 15 . 1 1 58 58 GLU CA C 58 59.900 59.900 60.014 -0.114 18032
7982 1 15 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.424 0.276 18032
7983 1 15 . 1 1 58 58 GLU H H 58 8.860 8.860 8.547 0.313 18032
7984 1 15 . 1 1 59 59 LYS N N 59 122.100 122.100 120.480 1.620 18032
7985 1 15 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.020 0.080 18032
7986 1 15 . 1 1 59 59 LYS C C 59 178.700 178.700 178.712 -0.012 18032
7987 1 15 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.130 -0.230 18032
7988 1 15 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.137 0.063 18032
7989 1 15 . 1 1 59 59 LYS H H 59 7.420 7.420 7.742 -0.322 18032
7990 1 15 . 1 1 60 60 TRP N N 60 120.000 120.000 118.817 1.183 18032
7991 1 15 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.318 -0.118 18032
7992 1 15 . 1 1 60 60 TRP C C 60 178.300 178.300 178.859 -0.559 18032
7993 1 15 . 1 1 60 60 TRP CA C 60 57.700 57.700 58.059 -0.359 18032
7994 1 15 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.059 0.541 18032
7995 1 15 . 1 1 60 60 TRP H H 60 8.140 8.140 8.297 -0.157 18032
7996 1 15 . 1 1 61 61 THR N N 61 113.200 113.200 115.445 -2.245 18032
7997 1 15 . 1 1 61 61 THR HA H 61 3.870 3.870 4.232 -0.362 18032
7998 1 15 . 1 1 61 61 THR C C 61 176.300 176.300 177.249 -0.949 18032
7999 1 15 . 1 1 61 61 THR CA C 61 67.100 67.100 67.266 -0.166 18032
8000 1 15 . 1 1 61 61 THR CB C 61 68.900 68.900 68.354 0.546 18032
8001 1 15 . 1 1 61 61 THR H H 61 8.390 8.390 8.205 0.185 18032
8002 1 15 . 1 1 62 62 GLN N N 62 122.300 122.300 120.271 2.029 18032
8003 1 15 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.218 -0.178 18032
8004 1 15 . 1 1 62 62 GLN C C 62 177.900 177.900 178.601 -0.701 18032
8005 1 15 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.472 0.528 18032
8006 1 15 . 1 1 62 62 GLN CB C 62 28.100 28.100 27.879 0.221 18032
8007 1 15 . 1 1 62 62 GLN H H 62 7.810 7.810 7.726 0.084 18032
8008 1 15 . 1 1 63 63 GLU N N 63 119.000 119.000 120.186 -1.186 18032
8009 1 15 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.122 -0.052 18032
8010 1 15 . 1 1 63 63 GLU C C 63 180.000 180.000 179.190 0.810 18032
8011 1 15 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.206 0.994 18032
8012 1 15 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.633 0.767 18032
8013 1 15 . 1 1 63 63 GLU H H 63 8.410 8.410 7.988 0.422 18032
8014 1 15 . 1 1 64 64 VAL N N 64 119.600 119.600 120.334 -0.734 18032
8015 1 15 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.064 0.056 18032
8016 1 15 . 1 1 64 64 VAL C C 64 180.600 180.600 178.646 1.954 18032
8017 1 15 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.530 -1.130 18032
8018 1 15 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.686 0.214 18032
8019 1 15 . 1 1 64 64 VAL H H 64 8.170 8.170 8.569 -0.399 18032
8020 1 15 . 1 1 65 65 ASN N N 65 121.700 121.700 118.239 3.461 18032
8021 1 15 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.640 -0.130 18032
8022 1 15 . 1 1 65 65 ASN C C 65 177.300 177.300 176.482 0.818 18032
8023 1 15 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.607 0.693 18032
8024 1 15 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.451 -0.351 18032
8025 1 15 . 1 1 65 65 ASN H H 65 8.550 8.550 7.960 0.590 18032
8026 1 15 . 1 1 66 66 ASP N N 66 118.000 118.000 119.044 -1.044 18032
8027 1 15 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.692 0.078 18032
8028 1 15 . 1 1 66 66 ASP C C 66 177.000 177.000 176.835 0.165 18032
8029 1 15 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.247 0.553 18032
8030 1 15 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.318 -0.018 18032
8031 1 15 . 1 1 66 66 ASP H H 66 8.470 8.470 7.891 0.579 18032
8032 1 15 . 1 1 67 67 GLY N N 67 108.600 108.600 106.918 1.682 18032
8033 1 15 . 1 1 67 67 GLY C C 67 174.800 174.800 175.095 -0.295 18032
8034 1 15 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.621 0.379 18032
8035 1 15 . 1 1 67 67 GLY H H 67 8.100 8.100 7.662 0.438 18032
8036 1 15 . 1 1 68 68 LYS N N 68 118.900 118.900 119.085 -0.185 18032
8037 1 15 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.339 -0.029 18032
8038 1 15 . 1 1 68 68 LYS C C 68 175.100 175.100 176.411 -1.311 18032
8039 1 15 . 1 1 68 68 LYS CA C 68 56.400 56.400 56.904 -0.504 18032
8040 1 15 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.921 -0.421 18032
8041 1 15 . 1 1 68 68 LYS H H 68 8.400 8.400 8.425 -0.025 18032
8042 1 15 . 1 1 69 69 ALA N N 69 120.400 120.400 121.153 -0.753 18032
8043 1 15 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.728 -0.098 18032
8044 1 15 . 1 1 69 69 ALA C C 69 175.900 175.900 175.979 -0.079 18032
8045 1 15 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.923 -0.423 18032
8046 1 15 . 1 1 69 69 ALA CB C 69 24.000 24.000 22.438 1.562 18032
8047 1 15 . 1 1 69 69 ALA H H 69 7.490 7.490 7.816 -0.326 18032
8048 1 15 . 1 1 70 70 THR N N 70 109.700 109.700 116.344 -6.644 18032
8049 1 15 . 1 1 70 70 THR HA H 70 4.750 4.750 4.700 0.050 18032
8050 1 15 . 1 1 70 70 THR C C 70 175.600 175.600 175.876 -0.276 18032
8051 1 15 . 1 1 70 70 THR CA C 70 59.600 59.600 61.610 -2.010 18032
8052 1 15 . 1 1 70 70 THR CB C 70 70.700 70.700 70.370 0.330 18032
8053 1 15 . 1 1 70 70 THR H H 70 7.930 7.930 8.254 -0.324 18032
8054 1 15 . 1 1 71 71 THR N N 71 111.300 111.300 116.631 -5.331 18032
8055 1 15 . 1 1 71 71 THR HA H 71 4.110 4.110 4.352 -0.242 18032
8056 1 15 . 1 1 71 71 THR C C 71 177.500 177.500 176.624 0.876 18032
8057 1 15 . 1 1 71 71 THR CA C 71 65.100 65.100 66.002 -0.902 18032
8058 1 15 . 1 1 71 71 THR CB C 71 68.900 68.900 68.880 0.020 18032
8059 1 15 . 1 1 71 71 THR H H 71 9.030 9.030 8.556 0.474 18032
8060 1 15 . 1 1 72 72 GLU N N 72 122.300 122.300 121.608 0.692 18032
8061 1 15 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.011 -0.151 18032
8062 1 15 . 1 1 72 72 GLU C C 72 177.500 177.500 179.308 -1.808 18032
8063 1 15 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.434 0.467 18032
8064 1 15 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.258 0.743 18032
8065 1 15 . 1 1 72 72 GLU H H 72 8.830 8.830 9.072 -0.242 18032
8066 1 15 . 1 1 73 73 GLN N N 73 116.900 116.900 117.975 -1.075 18032
8067 1 15 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.802 -0.172 18032
8068 1 15 . 1 1 73 73 GLN C C 73 174.000 174.000 177.134 -3.134 18032
8069 1 15 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.394 -0.394 18032
8070 1 15 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.101 0.499 18032
8071 1 15 . 1 1 73 73 GLN H H 73 7.280 7.280 8.436 -1.156 18032
8072 1 15 . 1 1 74 74 TYR N N 74 112.700 112.700 113.934 -1.234 18032
8073 1 15 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.190 -0.110 18032
8074 1 15 . 1 1 74 74 TYR C C 74 173.900 173.900 176.887 -2.987 18032
8075 1 15 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.809 -2.009 18032
8076 1 15 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.766 0.534 18032
8077 1 15 . 1 1 74 74 TYR H H 74 6.310 6.310 7.722 -1.412 18032
8078 1 15 . 1 1 75 75 PHE N N 75 108.000 108.000 116.689 -8.689 18032
8079 1 15 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.422 0.238 18032
8080 1 15 . 1 1 75 75 PHE C C 75 177.900 177.900 174.626 3.274 18032
8081 1 15 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.054 -1.654 18032
8082 1 15 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.755 -0.055 18032
8083 1 15 . 1 1 75 75 PHE H H 75 7.760 7.760 7.899 -0.139 18032
8084 1 15 . 1 1 76 76 VAL N N 76 120.700 120.700 120.992 -0.292 18032
8085 1 15 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.408 0.362 18032
8086 1 15 . 1 1 76 76 VAL C C 76 180.000 180.000 176.983 3.017 18032
8087 1 15 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.670 1.230 18032
8088 1 15 . 1 1 76 76 VAL CB C 76 31.200 31.200 31.515 -0.315 18032
8089 1 15 . 1 1 76 76 VAL H H 76 7.010 7.010 7.437 -0.427 18032
8090 1 15 . 1 1 77 77 LEU N N 77 131.600 131.600 128.393 3.207 18032
8091 1 15 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.090 -0.060 18032
8092 1 15 . 1 1 77 77 LEU C C 77 179.000 179.000 179.170 -0.170 18032
8093 1 15 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.386 0.714 18032
8094 1 15 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.928 0.072 18032
8095 1 15 . 1 1 77 77 LEU H H 77 8.860 8.860 8.633 0.227 18032
8096 1 15 . 1 1 78 78 LYS N N 78 116.700 116.700 118.982 -2.282 18032
8097 1 15 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.960 0.250 18032
8098 1 15 . 1 1 78 78 LYS C C 78 178.000 178.000 178.576 -0.576 18032
8099 1 15 . 1 1 78 78 LYS CA C 78 59.100 59.100 58.971 0.129 18032
8100 1 15 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.668 -0.568 18032
8101 1 15 . 1 1 78 78 LYS H H 78 9.540 9.540 8.442 1.098 18032
8102 1 15 . 1 1 79 79 ASN N N 79 121.500 121.500 119.979 1.521 18032
8103 1 15 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.401 0.249 18032
8104 1 15 . 1 1 79 79 ASN C C 79 176.200 176.200 177.549 -1.349 18032
8105 1 15 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.594 -0.994 18032
8106 1 15 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.853 -0.653 18032
8107 1 15 . 1 1 79 79 ASN H H 79 7.340 7.340 7.722 -0.382 18032
8108 1 15 . 1 1 80 80 LEU N N 80 124.300 124.300 121.667 2.633 18032
8109 1 15 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.016 0.014 18032
8110 1 15 . 1 1 80 80 LEU C C 80 178.700 178.700 178.159 0.541 18032
8111 1 15 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.377 0.423 18032
8112 1 15 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.720 -0.920 18032
8113 1 15 . 1 1 80 80 LEU H H 80 8.260 8.260 8.618 -0.358 18032
8114 1 15 . 1 1 81 81 ALA N N 81 118.100 118.100 120.502 -2.402 18032
8115 1 15 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.912 -0.042 18032
8116 1 15 . 1 1 81 81 ALA C C 81 177.600 177.600 179.112 -1.512 18032
8117 1 15 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.010 0.190 18032
8118 1 15 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.029 -0.729 18032
8119 1 15 . 1 1 81 81 ALA H H 81 8.580 8.580 7.661 0.919 18032
8120 1 15 . 1 1 82 82 ALA N N 82 119.800 119.800 120.329 -0.529 18032
8121 1 15 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.089 0.121 18032
8122 1 15 . 1 1 82 82 ALA C C 82 180.700 180.700 179.771 0.929 18032
8123 1 15 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.697 0.703 18032
8124 1 15 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.283 -0.383 18032
8125 1 15 . 1 1 82 82 ALA H H 82 7.230 7.230 7.618 -0.388 18032
8126 1 15 . 1 1 83 83 ARG N N 83 118.300 118.300 119.106 -0.806 18032
8127 1 15 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.247 0.093 18032
8128 1 15 . 1 1 83 83 ARG C C 83 180.500 180.500 179.138 1.362 18032
8129 1 15 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.860 0.640 18032
8130 1 15 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.469 2.431 18032
8131 1 15 . 1 1 83 83 ARG H H 83 8.510 8.510 7.886 0.624 18032
8132 1 15 . 1 1 84 84 ILE N N 84 121.300 121.300 119.882 1.418 18032
8133 1 15 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.676 -0.296 18032
8134 1 15 . 1 1 84 84 ILE C C 84 177.300 177.300 177.699 -0.399 18032
8135 1 15 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.216 0.984 18032
8136 1 15 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.356 0.344 18032
8137 1 15 . 1 1 84 84 ILE H H 84 8.340 8.340 8.129 0.211 18032
8138 1 15 . 1 1 85 85 ASP N N 85 120.200 120.200 119.980 0.220 18032
8139 1 15 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.269 0.141 18032
8140 1 15 . 1 1 85 85 ASP C C 85 180.200 180.200 178.205 1.995 18032
8141 1 15 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.600 0.400 18032
8142 1 15 . 1 1 85 85 ASP CB C 85 39.500 39.500 41.018 -1.518 18032
8143 1 15 . 1 1 85 85 ASP H H 85 8.330 8.330 7.972 0.358 18032
8144 1 15 . 1 1 86 86 GLU N N 86 121.100 121.100 119.044 2.056 18032
8145 1 15 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.141 -0.021 18032
8146 1 15 . 1 1 86 86 GLU C C 86 179.800 179.800 179.114 0.686 18032
8147 1 15 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.700 0.600 18032
8148 1 15 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.427 0.073 18032
8149 1 15 . 1 1 86 86 GLU H H 86 8.060 8.060 8.047 0.013 18032
8150 1 15 . 1 1 87 87 LEU N N 87 122.700 122.700 120.665 2.035 18032
8151 1 15 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.164 0.036 18032
8152 1 15 . 1 1 87 87 LEU C C 87 180.500 180.500 179.193 1.307 18032
8153 1 15 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.351 0.849 18032
8154 1 15 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.004 0.096 18032
8155 1 15 . 1 1 87 87 LEU H H 87 8.090 8.090 7.570 0.520 18032
8156 1 15 . 1 1 88 88 VAL N N 88 122.800 122.800 119.350 3.450 18032
8157 1 15 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.762 -0.222 18032
8158 1 15 . 1 1 88 88 VAL C C 88 179.200 179.200 178.043 1.157 18032
8159 1 15 . 1 1 88 88 VAL CA C 88 66.800 66.800 65.499 1.301 18032
8160 1 15 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.925 1.375 18032
8161 1 15 . 1 1 88 88 VAL H H 88 9.030 9.030 7.953 1.077 18032
8162 1 15 . 1 1 89 89 ALA N N 89 122.900 122.900 122.078 0.822 18032
8163 1 15 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.115 0.105 18032
8164 1 15 . 1 1 89 89 ALA C C 89 180.000 180.000 179.285 0.715 18032
8165 1 15 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.975 -0.275 18032
8166 1 15 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.185 -0.185 18032
8167 1 15 . 1 1 89 89 ALA H H 89 8.170 8.170 7.855 0.315 18032
8168 1 15 . 1 1 90 90 ALA N N 90 120.100 120.100 120.494 -0.394 18032
8169 1 15 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.104 0.166 18032
8170 1 15 . 1 1 90 90 ALA C C 90 179.200 179.200 178.989 0.211 18032
8171 1 15 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.456 -0.556 18032
8172 1 15 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.337 0.163 18032
8173 1 15 . 1 1 90 90 ALA H H 90 7.820 7.820 7.675 0.145 18032
8174 1 15 . 1 1 91 91 LYS N N 91 118.900 118.900 118.704 0.196 18032
8175 1 15 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.172 0.018 18032
8176 1 15 . 1 1 91 91 LYS C C 91 178.400 178.400 178.476 -0.076 18032
8177 1 15 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.471 1.029 18032
8178 1 15 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.704 -0.304 18032
8179 1 15 . 1 1 91 91 LYS H H 91 7.660 7.660 7.724 -0.064 18032
8180 1 15 . 1 1 92 92 GLY N N 92 107.200 107.200 108.073 -0.873 18032
8181 1 15 . 1 1 92 92 GLY C C 92 174.700 174.700 175.189 -0.489 18032
8182 1 15 . 1 1 92 92 GLY CA C 92 46.000 46.000 46.149 -0.149 18032
8183 1 15 . 1 1 92 92 GLY H H 92 8.090 8.090 7.828 0.262 18032
8184 1 15 . 1 1 93 93 ALA N N 93 123.300 123.300 122.097 1.203 18032
8185 1 15 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.406 -0.086 18032
8186 1 15 . 1 1 93 93 ALA C C 93 178.300 178.300 176.627 1.673 18032
8187 1 15 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.229 1.871 18032
8188 1 15 . 1 1 93 93 ALA CB C 93 19.000 19.000 18.716 0.284 18032
8189 1 15 . 1 1 93 93 ALA H H 93 7.900 7.900 7.422 0.478 18032
8190 1 15 . 1 1 94 94 LEU N N 94 119.800 119.800 118.541 1.259 18032
8191 1 15 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.948 0.342 18032
8192 1 15 . 1 1 94 94 LEU C C 94 177.900 177.900 175.646 2.254 18032
8193 1 15 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.324 1.576 18032
8194 1 15 . 1 1 94 94 LEU CB C 94 42.300 42.300 40.986 1.314 18032
8195 1 15 . 1 1 94 94 LEU H H 94 7.940 7.940 7.229 0.711 18032
8196 1 15 . 1 1 95 95 GLU N N 95 120.100 120.100 122.243 -2.143 18032
8197 1 15 . 1 1 95 95 GLU HA H 95 4.190 4.190 3.815 0.375 18032
8198 1 15 . 1 1 95 95 GLU C C 95 176.500 176.500 176.437 0.063 18032
8199 1 15 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.217 0.683 18032
8200 1 15 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.501 0.699 18032
8201 1 15 . 1 1 95 95 GLU H H 95 8.130 8.130 8.331 -0.201 18032
8202 1 15 . 1 1 96 96 HIS N N 96 119.200 119.200 124.217 -5.017 18032
8203 1 15 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.354 -0.054 18032
8204 1 15 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.579 1.721 18032
8205 1 15 . 1 1 96 96 HIS H H 96 8.160 8.160 8.301 -0.141 18032
8206 1 16 . 1 1 2 2 THR HA H 2 4.580 4.580 4.487 0.093 18032
8207 1 16 . 1 1 2 2 THR C C 2 174.500 174.500 175.308 -0.808 18032
8208 1 16 . 1 1 2 2 THR CA C 2 61.700 61.700 62.562 -0.862 18032
8209 1 16 . 1 1 2 2 THR CB C 2 70.400 70.400 68.096 2.304 18032
8210 1 16 . 1 1 3 3 SER N N 3 120.600 120.600 119.611 0.989 18032
8211 1 16 . 1 1 3 3 SER HA H 3 4.770 4.770 3.957 0.813 18032
8212 1 16 . 1 1 3 3 SER C C 3 175.100 175.100 175.748 -0.648 18032
8213 1 16 . 1 1 3 3 SER CA C 3 58.300 58.300 62.328 -4.028 18032
8214 1 16 . 1 1 3 3 SER CB C 3 65.000 65.000 62.110 2.890 18032
8215 1 16 . 1 1 3 3 SER H H 3 9.090 9.090 8.657 0.433 18032
8216 1 16 . 1 1 4 4 THR N N 4 120.500 120.500 118.100 2.400 18032
8217 1 16 . 1 1 4 4 THR HA H 4 4.230 4.230 4.382 -0.152 18032
8218 1 16 . 1 1 4 4 THR C C 4 176.200 176.200 176.653 -0.453 18032
8219 1 16 . 1 1 4 4 THR CA C 4 67.700 67.700 65.587 2.113 18032
8220 1 16 . 1 1 4 4 THR CB C 4 67.500 67.500 68.675 -1.175 18032
8221 1 16 . 1 1 4 4 THR H H 4 8.890 8.890 8.278 0.612 18032
8222 1 16 . 1 1 5 5 PHE N N 5 121.100 121.100 122.828 -1.728 18032
8223 1 16 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.183 -0.383 18032
8224 1 16 . 1 1 5 5 PHE CA C 5 62.700 62.700 60.956 1.744 18032
8225 1 16 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.706 -0.006 18032
8226 1 16 . 1 1 5 5 PHE H H 5 9.110 9.110 8.103 1.007 18032
8227 1 16 . 1 1 6 6 ASP N N 6 119.800 119.800 118.985 0.815 18032
8228 1 16 . 1 1 6 6 ASP HA H 6 3.840 3.840 3.951 -0.111 18032
8229 1 16 . 1 1 6 6 ASP C C 6 179.200 179.200 177.993 1.207 18032
8230 1 16 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.422 0.478 18032
8231 1 16 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.970 -0.070 18032
8232 1 16 . 1 1 6 6 ASP H H 6 8.120 8.120 8.021 0.099 18032
8233 1 16 . 1 1 7 7 ARG N N 7 119.200 119.200 118.394 0.806 18032
8234 1 16 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.070 0.000 18032
8235 1 16 . 1 1 7 7 ARG C C 7 179.400 179.400 178.884 0.516 18032
8236 1 16 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.047 1.253 18032
8237 1 16 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.715 1.385 18032
8238 1 16 . 1 1 7 7 ARG H H 7 8.020 8.020 7.688 0.332 18032
8239 1 16 . 1 1 8 8 VAL N N 8 120.600 120.600 119.806 0.794 18032
8240 1 16 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.800 -0.290 18032
8241 1 16 . 1 1 8 8 VAL C C 8 176.800 176.800 177.971 -1.171 18032
8242 1 16 . 1 1 8 8 VAL CA C 8 67.000 67.000 65.817 1.183 18032
8243 1 16 . 1 1 8 8 VAL CB C 8 31.600 31.600 30.760 0.840 18032
8244 1 16 . 1 1 8 8 VAL H H 8 8.520 8.520 8.055 0.465 18032
8245 1 16 . 1 1 9 9 ALA N N 9 122.800 122.800 122.192 0.608 18032
8246 1 16 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.851 -0.181 18032
8247 1 16 . 1 1 9 9 ALA C C 9 179.000 179.000 179.358 -0.358 18032
8248 1 16 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.180 0.620 18032
8249 1 16 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.855 -0.655 18032
8250 1 16 . 1 1 9 9 ALA H H 9 8.920 8.920 8.301 0.619 18032
8251 1 16 . 1 1 10 10 THR N N 10 114.300 114.300 116.700 -2.400 18032
8252 1 16 . 1 1 10 10 THR HA H 10 3.800 3.800 3.925 -0.125 18032
8253 1 16 . 1 1 10 10 THR C C 10 175.500 175.500 176.508 -1.008 18032
8254 1 16 . 1 1 10 10 THR CA C 10 67.400 67.400 67.384 0.016 18032
8255 1 16 . 1 1 10 10 THR CB C 10 68.900 68.900 68.710 0.190 18032
8256 1 16 . 1 1 10 10 THR H H 10 7.790 7.790 7.494 0.296 18032
8257 1 16 . 1 1 11 11 ILE N N 11 122.100 122.100 121.676 0.424 18032
8258 1 16 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.635 0.245 18032
8259 1 16 . 1 1 11 11 ILE C C 11 179.700 179.700 178.186 1.514 18032
8260 1 16 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.566 -0.065 18032
8261 1 16 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.692 0.908 18032
8262 1 16 . 1 1 11 11 ILE H H 11 7.760 7.760 7.717 0.043 18032
8263 1 16 . 1 1 12 12 ILE N N 12 123.100 123.100 119.587 3.513 18032
8264 1 16 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.734 -0.324 18032
8265 1 16 . 1 1 12 12 ILE C C 12 176.800 176.800 177.858 -1.058 18032
8266 1 16 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.123 1.877 18032
8267 1 16 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.685 0.215 18032
8268 1 16 . 1 1 12 12 ILE H H 12 8.750 8.750 7.951 0.799 18032
8269 1 16 . 1 1 13 13 ALA N N 13 122.600 122.600 123.114 -0.514 18032
8270 1 16 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.279 0.001 18032
8271 1 16 . 1 1 13 13 ALA C C 13 180.700 180.700 180.196 0.504 18032
8272 1 16 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.090 0.610 18032
8273 1 16 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.347 0.253 18032
8274 1 16 . 1 1 13 13 ALA H H 13 8.430 8.430 7.956 0.474 18032
8275 1 16 . 1 1 14 14 GLU N N 14 114.500 114.500 117.166 -2.666 18032
8276 1 16 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.126 0.064 18032
8277 1 16 . 1 1 14 14 GLU C C 14 179.100 179.100 179.102 -0.002 18032
8278 1 16 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.349 0.051 18032
8279 1 16 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.312 0.688 18032
8280 1 16 . 1 1 14 14 GLU H H 14 8.290 8.290 8.188 0.102 18032
8281 1 16 . 1 1 15 15 THR N N 15 115.500 115.500 113.849 1.651 18032
8282 1 16 . 1 1 15 15 THR HA H 15 4.080 4.080 4.151 -0.071 18032
8283 1 16 . 1 1 15 15 THR C C 15 176.200 176.200 175.906 0.294 18032
8284 1 16 . 1 1 15 15 THR CA C 15 66.500 66.500 65.558 0.942 18032
8285 1 16 . 1 1 15 15 THR CB C 15 69.400 69.400 69.464 -0.064 18032
8286 1 16 . 1 1 15 15 THR H H 15 8.390 8.390 7.933 0.457 18032
8287 1 16 . 1 1 16 16 CYS N N 16 116.000 116.000 117.973 -1.973 18032
8288 1 16 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.684 -0.114 18032
8289 1 16 . 1 1 16 16 CYS C C 16 173.700 173.700 174.531 -0.831 18032
8290 1 16 . 1 1 16 16 CYS CA C 16 59.200 59.200 59.380 -0.180 18032
8291 1 16 . 1 1 16 16 CYS CB C 16 29.600 29.600 29.680 -0.080 18032
8292 1 16 . 1 1 16 16 CYS H H 16 8.130 8.130 8.131 -0.001 18032
8293 1 16 . 1 1 17 17 ASP N N 17 119.900 119.900 118.712 1.188 18032
8294 1 16 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.377 0.033 18032
8295 1 16 . 1 1 17 17 ASP C C 17 174.700 174.700 174.683 0.017 18032
8296 1 16 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.367 -0.167 18032
8297 1 16 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.324 -0.424 18032
8298 1 16 . 1 1 17 17 ASP H H 17 7.740 7.740 8.026 -0.286 18032
8299 1 16 . 1 1 18 18 ILE N N 18 119.100 119.100 120.505 -1.405 18032
8300 1 16 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.497 0.093 18032
8301 1 16 . 1 1 18 18 ILE C C 18 179.400 179.400 174.444 4.956 18032
8302 1 16 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.591 0.209 18032
8303 1 16 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.287 2.713 18032
8304 1 16 . 1 1 18 18 ILE H H 18 7.410 7.410 7.545 -0.135 18032
8305 1 16 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.594 -0.224 18032
8306 1 16 . 1 1 19 19 PRO CA C 19 63.100 63.100 62.825 0.274 18032
8307 1 16 . 1 1 19 19 PRO CB C 19 32.100 32.100 33.022 -0.922 18032
8308 1 16 . 1 1 20 20 ARG N N 20 129.100 129.100 125.626 3.474 18032
8309 1 16 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.863 -0.003 18032
8310 1 16 . 1 1 20 20 ARG C C 20 178.500 178.500 178.689 -0.189 18032
8311 1 16 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.381 -0.581 18032
8312 1 16 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.735 -0.235 18032
8313 1 16 . 1 1 20 20 ARG H H 20 9.150 9.150 8.869 0.281 18032
8314 1 16 . 1 1 21 21 GLU N N 21 117.300 117.300 114.811 2.489 18032
8315 1 16 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.153 0.147 18032
8316 1 16 . 1 1 21 21 GLU C C 21 177.200 177.200 177.067 0.133 18032
8317 1 16 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.688 -0.088 18032
8318 1 16 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.001 -0.501 18032
8319 1 16 . 1 1 21 21 GLU H H 21 9.820 9.820 8.558 1.262 18032
8320 1 16 . 1 1 22 22 THR N N 22 110.200 110.200 109.434 0.766 18032
8321 1 16 . 1 1 22 22 THR HA H 22 4.340 4.340 4.407 -0.067 18032
8322 1 16 . 1 1 22 22 THR C C 22 173.000 173.000 174.887 -1.887 18032
8323 1 16 . 1 1 22 22 THR CA C 22 62.300 62.300 62.188 0.112 18032
8324 1 16 . 1 1 22 22 THR CB C 22 70.000 70.000 69.266 0.734 18032
8325 1 16 . 1 1 22 22 THR H H 22 7.780 7.780 7.577 0.203 18032
8326 1 16 . 1 1 23 23 ILE N N 23 122.600 122.600 125.196 -2.596 18032
8327 1 16 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.321 -0.321 18032
8328 1 16 . 1 1 23 23 ILE C C 23 174.700 174.700 175.753 -1.053 18032
8329 1 16 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.862 1.738 18032
8330 1 16 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.160 1.339 18032
8331 1 16 . 1 1 23 23 ILE H H 23 7.590 7.590 7.340 0.250 18032
8332 1 16 . 1 1 24 24 THR N N 24 118.600 118.600 120.058 -1.458 18032
8333 1 16 . 1 1 24 24 THR HA H 24 5.290 5.290 4.841 0.449 18032
8334 1 16 . 1 1 24 24 THR CA C 24 59.000 59.000 59.196 -0.196 18032
8335 1 16 . 1 1 24 24 THR CB C 24 69.800 69.800 69.025 0.775 18032
8336 1 16 . 1 1 24 24 THR H H 24 8.580 8.580 7.871 0.709 18032
8337 1 16 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.251 0.519 18032
8338 1 16 . 1 1 25 25 PRO C C 25 176.200 176.200 177.229 -1.029 18032
8339 1 16 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.322 0.578 18032
8340 1 16 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.285 0.515 18032
8341 1 16 . 1 1 26 26 GLU N N 26 110.900 110.900 112.933 -2.033 18032
8342 1 16 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.247 -0.077 18032
8343 1 16 . 1 1 26 26 GLU C C 26 176.900 176.900 176.272 0.628 18032
8344 1 16 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.374 0.926 18032
8345 1 16 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.422 1.078 18032
8346 1 16 . 1 1 26 26 GLU H H 26 7.380 7.380 8.432 -1.052 18032
8347 1 16 . 1 1 27 27 SER N N 27 118.100 118.100 116.555 1.545 18032
8348 1 16 . 1 1 27 27 SER HA H 27 4.300 4.300 4.366 -0.066 18032
8349 1 16 . 1 1 27 27 SER C C 27 172.100 172.100 173.812 -1.712 18032
8350 1 16 . 1 1 27 27 SER CA C 27 61.000 61.000 58.325 2.675 18032
8351 1 16 . 1 1 27 27 SER CB C 27 64.200 64.200 64.301 -0.101 18032
8352 1 16 . 1 1 27 27 SER H H 27 8.040 8.040 7.369 0.671 18032
8353 1 16 . 1 1 28 28 HIS N N 28 128.200 128.200 127.011 1.189 18032
8354 1 16 . 1 1 28 28 HIS HA H 28 4.740 4.740 5.026 -0.286 18032
8355 1 16 . 1 1 28 28 HIS C C 28 178.200 178.200 175.993 2.207 18032
8356 1 16 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.082 0.218 18032
8357 1 16 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.345 1.255 18032
8358 1 16 . 1 1 28 28 HIS H H 28 10.680 10.680 8.787 1.893 18032
8359 1 16 . 1 1 29 29 ALA N N 29 130.100 130.100 131.402 -1.302 18032
8360 1 16 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.010 -0.060 18032
8361 1 16 . 1 1 29 29 ALA C C 29 175.700 175.700 178.274 -2.574 18032
8362 1 16 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.588 0.312 18032
8363 1 16 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.880 -0.080 18032
8364 1 16 . 1 1 29 29 ALA H H 29 9.270 9.270 8.753 0.517 18032
8365 1 16 . 1 1 30 30 ILE N N 30 113.300 113.300 116.890 -3.590 18032
8366 1 16 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.183 0.027 18032
8367 1 16 . 1 1 30 30 ILE C C 30 177.200 177.200 177.876 -0.676 18032
8368 1 16 . 1 1 30 30 ILE CA C 30 62.900 62.900 64.057 -1.157 18032
8369 1 16 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.396 0.704 18032
8370 1 16 . 1 1 30 30 ILE H H 30 8.540 8.540 7.528 1.012 18032
8371 1 16 . 1 1 31 31 ASP N N 31 120.600 120.600 119.264 1.336 18032
8372 1 16 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.355 -0.175 18032
8373 1 16 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.285 0.215 18032
8374 1 16 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.096 -1.096 18032
8375 1 16 . 1 1 31 31 ASP H H 31 8.480 8.480 8.382 0.098 18032
8376 1 16 . 1 1 32 32 ASP N N 32 114.200 114.200 118.679 -4.479 18032
8377 1 16 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.574 0.486 18032
8378 1 16 . 1 1 32 32 ASP C C 32 177.500 177.500 178.422 -0.922 18032
8379 1 16 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.272 -0.272 18032
8380 1 16 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.702 0.498 18032
8381 1 16 . 1 1 32 32 ASP H H 32 8.450 8.450 8.101 0.349 18032
8382 1 16 . 1 1 33 33 LEU N N 33 114.000 114.000 119.005 -5.005 18032
8383 1 16 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.255 0.215 18032
8384 1 16 . 1 1 33 33 LEU C C 33 177.400 177.400 178.006 -0.606 18032
8385 1 16 . 1 1 33 33 LEU CA C 33 54.900 54.900 56.070 -1.170 18032
8386 1 16 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.418 -1.218 18032
8387 1 16 . 1 1 33 33 LEU H H 33 7.230 7.230 7.784 -0.554 18032
8388 1 16 . 1 1 34 34 GLY N N 34 107.000 107.000 106.926 0.074 18032
8389 1 16 . 1 1 34 34 GLY C C 34 174.500 174.500 174.198 0.302 18032
8390 1 16 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.323 1.577 18032
8391 1 16 . 1 1 34 34 GLY H H 34 7.330 7.330 7.934 -0.604 18032
8392 1 16 . 1 1 35 35 ILE N N 35 120.700 120.700 120.820 -0.120 18032
8393 1 16 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.299 -0.189 18032
8394 1 16 . 1 1 35 35 ILE C C 35 175.300 175.300 174.917 0.383 18032
8395 1 16 . 1 1 35 35 ILE CA C 35 62.000 62.000 59.819 2.181 18032
8396 1 16 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.358 -1.458 18032
8397 1 16 . 1 1 35 35 ILE H H 35 7.820 7.820 8.011 -0.191 18032
8398 1 16 . 1 1 36 36 ASP N N 36 126.800 126.800 127.698 -0.898 18032
8399 1 16 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.621 0.219 18032
8400 1 16 . 1 1 36 36 ASP C C 36 177.100 177.100 177.092 0.008 18032
8401 1 16 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.712 -2.111 18032
8402 1 16 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.236 0.265 18032
8403 1 16 . 1 1 36 36 ASP H H 36 8.780 8.780 8.206 0.574 18032
8404 1 16 . 1 1 37 37 SER N N 37 114.000 114.000 115.866 -1.866 18032
8405 1 16 . 1 1 37 37 SER HA H 37 4.170 4.170 4.484 -0.314 18032
8406 1 16 . 1 1 37 37 SER C C 37 175.700 175.700 176.872 -1.172 18032
8407 1 16 . 1 1 37 37 SER CA C 37 60.700 60.700 61.484 -0.784 18032
8408 1 16 . 1 1 37 37 SER CB C 37 65.800 65.800 62.905 2.895 18032
8409 1 16 . 1 1 37 37 SER H H 37 8.750 8.750 8.541 0.209 18032
8410 1 16 . 1 1 38 38 LEU N N 38 123.200 123.200 120.598 2.602 18032
8411 1 16 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.232 -0.012 18032
8412 1 16 . 1 1 38 38 LEU C C 38 180.200 180.200 178.716 1.484 18032
8413 1 16 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.600 0.200 18032
8414 1 16 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.337 -0.337 18032
8415 1 16 . 1 1 38 38 LEU H H 38 8.030 8.030 8.136 -0.106 18032
8416 1 16 . 1 1 39 39 ASP N N 39 121.500 121.500 118.891 2.609 18032
8417 1 16 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.544 -0.104 18032
8418 1 16 . 1 1 39 39 ASP C C 39 179.000 179.000 178.628 0.372 18032
8419 1 16 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.294 -0.094 18032
8420 1 16 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.910 0.290 18032
8421 1 16 . 1 1 39 39 ASP H H 39 8.390 8.390 7.514 0.876 18032
8422 1 16 . 1 1 40 40 PHE N N 40 118.900 118.900 121.283 -2.383 18032
8423 1 16 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.345 -0.295 18032
8424 1 16 . 1 1 40 40 PHE C C 40 177.500 177.500 176.991 0.509 18032
8425 1 16 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.109 1.691 18032
8426 1 16 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.248 -0.848 18032
8427 1 16 . 1 1 40 40 PHE H H 40 8.640 8.640 8.275 0.365 18032
8428 1 16 . 1 1 41 41 LEU N N 41 118.800 118.800 120.152 -1.352 18032
8429 1 16 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.731 0.249 18032
8430 1 16 . 1 1 41 41 LEU C C 41 179.300 179.300 178.575 0.725 18032
8431 1 16 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.375 0.025 18032
8432 1 16 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.158 -0.158 18032
8433 1 16 . 1 1 41 41 LEU H H 41 7.660 7.660 8.054 -0.394 18032
8434 1 16 . 1 1 42 42 ASP N N 42 119.700 119.700 118.903 0.797 18032
8435 1 16 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.573 0.017 18032
8436 1 16 . 1 1 42 42 ASP C C 42 179.800 179.800 178.781 1.019 18032
8437 1 16 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.279 0.321 18032
8438 1 16 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.784 -0.484 18032
8439 1 16 . 1 1 42 42 ASP H H 42 7.320 7.320 7.811 -0.491 18032
8440 1 16 . 1 1 43 43 ILE N N 43 122.700 122.700 119.471 3.229 18032
8441 1 16 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.719 -0.199 18032
8442 1 16 . 1 1 43 43 ILE C C 43 177.100 177.100 177.730 -0.630 18032
8443 1 16 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.859 0.341 18032
8444 1 16 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.727 0.173 18032
8445 1 16 . 1 1 43 43 ILE H H 43 8.090 8.090 7.367 0.723 18032
8446 1 16 . 1 1 44 44 ALA N N 44 122.600 122.600 122.287 0.313 18032
8447 1 16 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.931 -0.071 18032
8448 1 16 . 1 1 44 44 ALA C C 44 178.500 178.500 179.629 -1.129 18032
8449 1 16 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.532 1.168 18032
8450 1 16 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.774 0.526 18032
8451 1 16 . 1 1 44 44 ALA H H 44 8.830 8.830 7.774 1.056 18032
8452 1 16 . 1 1 45 45 PHE N N 45 117.300 117.300 118.696 -1.396 18032
8453 1 16 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.180 0.320 18032
8454 1 16 . 1 1 45 45 PHE C C 45 178.300 178.300 177.559 0.741 18032
8455 1 16 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.343 -0.743 18032
8456 1 16 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.706 -0.006 18032
8457 1 16 . 1 1 45 45 PHE H H 45 8.090 8.090 8.216 -0.126 18032
8458 1 16 . 1 1 46 46 ALA N N 46 121.600 121.600 123.564 -1.964 18032
8459 1 16 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.128 0.042 18032
8460 1 16 . 1 1 46 46 ALA C C 46 181.400 181.400 179.603 1.797 18032
8461 1 16 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.226 -0.226 18032
8462 1 16 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.108 1.092 18032
8463 1 16 . 1 1 46 46 ALA H H 46 7.780 7.780 7.868 -0.088 18032
8464 1 16 . 1 1 47 47 ILE N N 47 122.900 122.900 118.540 4.360 18032
8465 1 16 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.792 -0.012 18032
8466 1 16 . 1 1 47 47 ILE C C 47 177.000 177.000 177.538 -0.538 18032
8467 1 16 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.650 0.350 18032
8468 1 16 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.531 0.469 18032
8469 1 16 . 1 1 47 47 ILE H H 47 8.960 8.960 8.172 0.788 18032
8470 1 16 . 1 1 48 48 ASP N N 48 123.900 123.900 120.749 3.151 18032
8471 1 16 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.266 0.104 18032
8472 1 16 . 1 1 48 48 ASP C C 48 180.200 180.200 178.490 1.710 18032
8473 1 16 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.216 -0.516 18032
8474 1 16 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.843 -0.543 18032
8475 1 16 . 1 1 48 48 ASP H H 48 8.950 8.950 8.105 0.845 18032
8476 1 16 . 1 1 49 49 LYS N N 49 117.500 117.500 118.040 -0.540 18032
8477 1 16 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.198 -0.178 18032
8478 1 16 . 1 1 49 49 LYS C C 49 178.800 178.800 179.201 -0.401 18032
8479 1 16 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.533 0.067 18032
8480 1 16 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.570 0.030 18032
8481 1 16 . 1 1 49 49 LYS H H 49 7.590 7.590 7.781 -0.191 18032
8482 1 16 . 1 1 50 50 ALA N N 50 121.100 121.100 122.514 -1.414 18032
8483 1 16 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.159 -0.129 18032
8484 1 16 . 1 1 50 50 ALA C C 50 179.400 179.400 179.168 0.232 18032
8485 1 16 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.616 -0.016 18032
8486 1 16 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.713 0.387 18032
8487 1 16 . 1 1 50 50 ALA H H 50 8.180 8.180 7.813 0.367 18032
8488 1 16 . 1 1 51 51 PHE N N 51 111.600 111.600 115.729 -4.129 18032
8489 1 16 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.520 0.020 18032
8490 1 16 . 1 1 51 51 PHE C C 51 176.200 176.200 175.799 0.401 18032
8491 1 16 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.323 0.077 18032
8492 1 16 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.206 1.294 18032
8493 1 16 . 1 1 51 51 PHE H H 51 8.620 8.620 8.104 0.516 18032
8494 1 16 . 1 1 52 52 GLY N N 52 112.100 112.100 108.225 3.875 18032
8495 1 16 . 1 1 52 52 GLY C C 52 174.900 174.900 174.471 0.429 18032
8496 1 16 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.953 1.547 18032
8497 1 16 . 1 1 52 52 GLY H H 52 8.140 8.140 7.649 0.491 18032
8498 1 16 . 1 1 53 53 ILE N N 53 111.000 111.000 113.380 -2.380 18032
8499 1 16 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.543 0.127 18032
8500 1 16 . 1 1 53 53 ILE C C 53 173.500 173.500 174.136 -0.636 18032
8501 1 16 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.627 -0.027 18032
8502 1 16 . 1 1 53 53 ILE CB C 53 42.900 42.900 41.095 1.805 18032
8503 1 16 . 1 1 53 53 ILE H H 53 7.520 7.520 7.859 -0.339 18032
8504 1 16 . 1 1 54 54 LYS N N 54 119.600 119.600 120.252 -0.652 18032
8505 1 16 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.754 -0.144 18032
8506 1 16 . 1 1 54 54 LYS C C 54 175.900 175.900 175.321 0.579 18032
8507 1 16 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.444 -1.144 18032
8508 1 16 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.398 -0.398 18032
8509 1 16 . 1 1 54 54 LYS H H 54 7.940 7.940 8.153 -0.213 18032
8510 1 16 . 1 1 55 55 LEU N N 55 130.800 130.800 126.036 4.764 18032
8511 1 16 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.597 -0.747 18032
8512 1 16 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.044 1.256 18032
8513 1 16 . 1 1 55 55 LEU CB C 55 42.000 42.000 42.044 -0.044 18032
8514 1 16 . 1 1 55 55 LEU H H 55 10.700 10.700 8.133 2.567 18032
8515 1 16 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.190 0.410 18032
8516 1 16 . 1 1 56 56 PRO C C 56 174.600 174.600 175.875 -1.275 18032
8517 1 16 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.837 -0.337 18032
8518 1 16 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.094 -2.594 18032
8519 1 16 . 1 1 57 57 LEU N N 57 121.300 121.300 122.841 -1.541 18032
8520 1 16 . 1 1 57 57 LEU HA H 57 3.410 3.410 4.071 -0.661 18032
8521 1 16 . 1 1 57 57 LEU C C 57 179.100 179.100 178.016 1.084 18032
8522 1 16 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.027 0.173 18032
8523 1 16 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.812 0.287 18032
8524 1 16 . 1 1 57 57 LEU H H 57 7.490 7.490 7.813 -0.323 18032
8525 1 16 . 1 1 58 58 GLU N N 58 119.200 119.200 118.290 0.910 18032
8526 1 16 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.965 0.015 18032
8527 1 16 . 1 1 58 58 GLU C C 58 178.500 178.500 178.713 -0.213 18032
8528 1 16 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.687 0.213 18032
8529 1 16 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.729 -0.029 18032
8530 1 16 . 1 1 58 58 GLU H H 58 8.860 8.860 8.496 0.364 18032
8531 1 16 . 1 1 59 59 LYS N N 59 122.100 122.100 120.361 1.739 18032
8532 1 16 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.034 0.066 18032
8533 1 16 . 1 1 59 59 LYS C C 59 178.700 178.700 178.840 -0.140 18032
8534 1 16 . 1 1 59 59 LYS CA C 59 58.900 58.900 58.905 -0.005 18032
8535 1 16 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.893 0.307 18032
8536 1 16 . 1 1 59 59 LYS H H 59 7.420 7.420 7.919 -0.499 18032
8537 1 16 . 1 1 60 60 TRP N N 60 120.000 120.000 118.569 1.431 18032
8538 1 16 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.547 -0.347 18032
8539 1 16 . 1 1 60 60 TRP C C 60 178.300 178.300 179.244 -0.944 18032
8540 1 16 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.964 -0.264 18032
8541 1 16 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.870 0.730 18032
8542 1 16 . 1 1 60 60 TRP H H 60 8.140 8.140 7.949 0.191 18032
8543 1 16 . 1 1 61 61 THR N N 61 113.200 113.200 115.747 -2.547 18032
8544 1 16 . 1 1 61 61 THR HA H 61 3.870 3.870 4.113 -0.243 18032
8545 1 16 . 1 1 61 61 THR C C 61 176.300 176.300 176.883 -0.583 18032
8546 1 16 . 1 1 61 61 THR CA C 61 67.100 67.100 67.242 -0.142 18032
8547 1 16 . 1 1 61 61 THR CB C 61 68.900 68.900 68.185 0.715 18032
8548 1 16 . 1 1 61 61 THR H H 61 8.390 8.390 8.222 0.168 18032
8549 1 16 . 1 1 62 62 GLN N N 62 122.300 122.300 119.672 2.628 18032
8550 1 16 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.200 -0.160 18032
8551 1 16 . 1 1 62 62 GLN C C 62 177.900 177.900 178.651 -0.751 18032
8552 1 16 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.448 0.552 18032
8553 1 16 . 1 1 62 62 GLN CB C 62 28.100 28.100 27.992 0.107 18032
8554 1 16 . 1 1 62 62 GLN H H 62 7.810 7.810 7.776 0.034 18032
8555 1 16 . 1 1 63 63 GLU N N 63 119.000 119.000 120.567 -1.567 18032
8556 1 16 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.134 -0.064 18032
8557 1 16 . 1 1 63 63 GLU C C 63 180.000 180.000 179.581 0.419 18032
8558 1 16 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.391 0.809 18032
8559 1 16 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.735 0.664 18032
8560 1 16 . 1 1 63 63 GLU H H 63 8.410 8.410 7.832 0.578 18032
8561 1 16 . 1 1 64 64 VAL N N 64 119.600 119.600 120.213 -0.613 18032
8562 1 16 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.188 -0.068 18032
8563 1 16 . 1 1 64 64 VAL C C 64 180.600 180.600 178.832 1.768 18032
8564 1 16 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.062 -0.662 18032
8565 1 16 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.555 0.345 18032
8566 1 16 . 1 1 64 64 VAL H H 64 8.170 8.170 8.429 -0.259 18032
8567 1 16 . 1 1 65 65 ASN N N 65 121.700 121.700 118.387 3.313 18032
8568 1 16 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.593 -0.083 18032
8569 1 16 . 1 1 65 65 ASN C C 65 177.300 177.300 176.634 0.666 18032
8570 1 16 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.632 0.668 18032
8571 1 16 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.170 -0.070 18032
8572 1 16 . 1 1 65 65 ASN H H 65 8.550 8.550 8.047 0.503 18032
8573 1 16 . 1 1 66 66 ASP N N 66 118.000 118.000 118.236 -0.236 18032
8574 1 16 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.681 0.089 18032
8575 1 16 . 1 1 66 66 ASP C C 66 177.000 177.000 177.129 -0.129 18032
8576 1 16 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.441 0.359 18032
8577 1 16 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.714 -0.414 18032
8578 1 16 . 1 1 66 66 ASP H H 66 8.470 8.470 7.851 0.619 18032
8579 1 16 . 1 1 67 67 GLY N N 67 108.600 108.600 108.497 0.103 18032
8580 1 16 . 1 1 67 67 GLY C C 67 174.800 174.800 175.682 -0.882 18032
8581 1 16 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.894 0.106 18032
8582 1 16 . 1 1 67 67 GLY H H 67 8.100 8.100 7.763 0.337 18032
8583 1 16 . 1 1 68 68 LYS N N 68 118.900 118.900 119.151 -0.251 18032
8584 1 16 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.168 0.142 18032
8585 1 16 . 1 1 68 68 LYS C C 68 175.100 175.100 176.887 -1.787 18032
8586 1 16 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.496 -1.097 18032
8587 1 16 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.157 0.343 18032
8588 1 16 . 1 1 68 68 LYS H H 68 8.400 8.400 8.104 0.296 18032
8589 1 16 . 1 1 69 69 ALA N N 69 120.400 120.400 121.633 -1.233 18032
8590 1 16 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.665 -0.035 18032
8591 1 16 . 1 1 69 69 ALA C C 69 175.900 175.900 175.777 0.123 18032
8592 1 16 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.984 -0.484 18032
8593 1 16 . 1 1 69 69 ALA CB C 69 24.000 24.000 20.856 3.144 18032
8594 1 16 . 1 1 69 69 ALA H H 69 7.490 7.490 7.609 -0.119 18032
8595 1 16 . 1 1 70 70 THR N N 70 109.700 109.700 112.765 -3.065 18032
8596 1 16 . 1 1 70 70 THR HA H 70 4.750 4.750 4.358 0.392 18032
8597 1 16 . 1 1 70 70 THR C C 70 175.600 175.600 176.359 -0.759 18032
8598 1 16 . 1 1 70 70 THR CA C 70 59.600 59.600 62.027 -2.427 18032
8599 1 16 . 1 1 70 70 THR CB C 70 70.700 70.700 70.773 -0.073 18032
8600 1 16 . 1 1 70 70 THR H H 70 7.930 7.930 8.100 -0.170 18032
8601 1 16 . 1 1 71 71 THR N N 71 111.300 111.300 113.763 -2.463 18032
8602 1 16 . 1 1 71 71 THR HA H 71 4.110 4.110 4.211 -0.101 18032
8603 1 16 . 1 1 71 71 THR C C 71 177.500 177.500 176.717 0.783 18032
8604 1 16 . 1 1 71 71 THR CA C 71 65.100 65.100 66.012 -0.912 18032
8605 1 16 . 1 1 71 71 THR CB C 71 68.900 68.900 68.870 0.030 18032
8606 1 16 . 1 1 71 71 THR H H 71 9.030 9.030 8.542 0.488 18032
8607 1 16 . 1 1 72 72 GLU N N 72 122.300 122.300 121.296 1.004 18032
8608 1 16 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.055 -0.195 18032
8609 1 16 . 1 1 72 72 GLU C C 72 177.500 177.500 178.992 -1.492 18032
8610 1 16 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.778 0.122 18032
8611 1 16 . 1 1 72 72 GLU CB C 72 29.000 29.000 29.054 -0.054 18032
8612 1 16 . 1 1 72 72 GLU H H 72 8.830 8.830 8.738 0.092 18032
8613 1 16 . 1 1 73 73 GLN N N 73 116.900 116.900 117.213 -0.313 18032
8614 1 16 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.855 -0.225 18032
8615 1 16 . 1 1 73 73 GLN C C 73 174.000 174.000 177.930 -3.930 18032
8616 1 16 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.337 -0.337 18032
8617 1 16 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.624 -0.024 18032
8618 1 16 . 1 1 73 73 GLN H H 73 7.280 7.280 7.612 -0.332 18032
8619 1 16 . 1 1 74 74 TYR N N 74 112.700 112.700 113.265 -0.565 18032
8620 1 16 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.053 0.027 18032
8621 1 16 . 1 1 74 74 TYR C C 74 173.900 173.900 175.343 -1.443 18032
8622 1 16 . 1 1 74 74 TYR CA C 74 56.800 56.800 57.001 -0.201 18032
8623 1 16 . 1 1 74 74 TYR CB C 74 40.300 40.300 38.711 1.589 18032
8624 1 16 . 1 1 74 74 TYR H H 74 6.310 6.310 7.328 -1.018 18032
8625 1 16 . 1 1 75 75 PHE N N 75 108.000 108.000 116.689 -8.689 18032
8626 1 16 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.333 0.327 18032
8627 1 16 . 1 1 75 75 PHE C C 75 177.900 177.900 173.602 4.298 18032
8628 1 16 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.609 -0.209 18032
8629 1 16 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.930 -1.230 18032
8630 1 16 . 1 1 75 75 PHE H H 75 7.760 7.760 7.830 -0.070 18032
8631 1 16 . 1 1 76 76 VAL N N 76 120.700 120.700 120.970 -0.270 18032
8632 1 16 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.584 0.186 18032
8633 1 16 . 1 1 76 76 VAL C C 76 180.000 180.000 176.641 3.359 18032
8634 1 16 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.131 1.769 18032
8635 1 16 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.196 -0.996 18032
8636 1 16 . 1 1 76 76 VAL H H 76 7.010 7.010 7.887 -0.877 18032
8637 1 16 . 1 1 77 77 LEU N N 77 131.600 131.600 128.343 3.257 18032
8638 1 16 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.996 0.034 18032
8639 1 16 . 1 1 77 77 LEU C C 77 179.000 179.000 178.694 0.306 18032
8640 1 16 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.633 0.467 18032
8641 1 16 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.209 -0.209 18032
8642 1 16 . 1 1 77 77 LEU H H 77 8.860 8.860 8.603 0.257 18032
8643 1 16 . 1 1 78 78 LYS N N 78 116.700 116.700 118.361 -1.661 18032
8644 1 16 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.929 0.281 18032
8645 1 16 . 1 1 78 78 LYS C C 78 178.000 178.000 178.262 -0.262 18032
8646 1 16 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.390 -0.290 18032
8647 1 16 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.761 -0.660 18032
8648 1 16 . 1 1 78 78 LYS H H 78 9.540 9.540 8.326 1.214 18032
8649 1 16 . 1 1 79 79 ASN N N 79 121.500 121.500 119.445 2.055 18032
8650 1 16 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.475 0.175 18032
8651 1 16 . 1 1 79 79 ASN C C 79 176.200 176.200 177.505 -1.305 18032
8652 1 16 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.258 -0.658 18032
8653 1 16 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.962 -0.763 18032
8654 1 16 . 1 1 79 79 ASN H H 79 7.340 7.340 7.732 -0.392 18032
8655 1 16 . 1 1 80 80 LEU N N 80 124.300 124.300 122.600 1.700 18032
8656 1 16 . 1 1 80 80 LEU HA H 80 4.030 4.030 3.935 0.095 18032
8657 1 16 . 1 1 80 80 LEU C C 80 178.700 178.700 177.463 1.237 18032
8658 1 16 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.235 0.565 18032
8659 1 16 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.596 -0.796 18032
8660 1 16 . 1 1 80 80 LEU H H 80 8.260 8.260 8.272 -0.012 18032
8661 1 16 . 1 1 81 81 ALA N N 81 118.100 118.100 120.132 -2.032 18032
8662 1 16 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.882 -0.012 18032
8663 1 16 . 1 1 81 81 ALA C C 81 177.600 177.600 179.134 -1.534 18032
8664 1 16 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.817 0.383 18032
8665 1 16 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.057 -0.757 18032
8666 1 16 . 1 1 81 81 ALA H H 81 8.580 8.580 7.857 0.723 18032
8667 1 16 . 1 1 82 82 ALA N N 82 119.800 119.800 122.084 -2.284 18032
8668 1 16 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.936 0.274 18032
8669 1 16 . 1 1 82 82 ALA C C 82 180.700 180.700 179.477 1.223 18032
8670 1 16 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.919 0.481 18032
8671 1 16 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.425 -0.525 18032
8672 1 16 . 1 1 82 82 ALA H H 82 7.230 7.230 7.626 -0.396 18032
8673 1 16 . 1 1 83 83 ARG N N 83 118.300 118.300 119.088 -0.788 18032
8674 1 16 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.027 0.313 18032
8675 1 16 . 1 1 83 83 ARG C C 83 180.500 180.500 179.108 1.392 18032
8676 1 16 . 1 1 83 83 ARG CA C 83 58.500 58.500 59.294 -0.794 18032
8677 1 16 . 1 1 83 83 ARG CB C 83 31.900 31.900 30.075 1.825 18032
8678 1 16 . 1 1 83 83 ARG H H 83 8.510 8.510 7.777 0.733 18032
8679 1 16 . 1 1 84 84 ILE N N 84 121.300 121.300 119.864 1.436 18032
8680 1 16 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.600 -0.220 18032
8681 1 16 . 1 1 84 84 ILE C C 84 177.300 177.300 177.670 -0.370 18032
8682 1 16 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.200 1.000 18032
8683 1 16 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.486 0.214 18032
8684 1 16 . 1 1 84 84 ILE H H 84 8.340 8.340 8.143 0.197 18032
8685 1 16 . 1 1 85 85 ASP N N 85 120.200 120.200 119.333 0.867 18032
8686 1 16 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.345 0.065 18032
8687 1 16 . 1 1 85 85 ASP C C 85 180.200 180.200 178.452 1.748 18032
8688 1 16 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.349 0.651 18032
8689 1 16 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.737 -1.238 18032
8690 1 16 . 1 1 85 85 ASP H H 85 8.330 8.330 7.744 0.586 18032
8691 1 16 . 1 1 86 86 GLU N N 86 121.100 121.100 119.311 1.789 18032
8692 1 16 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.181 -0.061 18032
8693 1 16 . 1 1 86 86 GLU C C 86 179.800 179.800 179.145 0.655 18032
8694 1 16 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.064 0.236 18032
8695 1 16 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.529 -0.029 18032
8696 1 16 . 1 1 86 86 GLU H H 86 8.060 8.060 8.222 -0.162 18032
8697 1 16 . 1 1 87 87 LEU N N 87 122.700 122.700 119.407 3.293 18032
8698 1 16 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.163 0.037 18032
8699 1 16 . 1 1 87 87 LEU C C 87 180.500 180.500 178.909 1.591 18032
8700 1 16 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.169 1.031 18032
8701 1 16 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.885 0.215 18032
8702 1 16 . 1 1 87 87 LEU H H 87 8.090 8.090 7.686 0.404 18032
8703 1 16 . 1 1 88 88 VAL N N 88 122.800 122.800 120.572 2.228 18032
8704 1 16 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.740 -0.200 18032
8705 1 16 . 1 1 88 88 VAL C C 88 179.200 179.200 178.160 1.040 18032
8706 1 16 . 1 1 88 88 VAL CA C 88 66.800 66.800 65.908 0.892 18032
8707 1 16 . 1 1 88 88 VAL CB C 88 32.300 32.300 30.962 1.338 18032
8708 1 16 . 1 1 88 88 VAL H H 88 9.030 9.030 8.053 0.977 18032
8709 1 16 . 1 1 89 89 ALA N N 89 122.900 122.900 121.728 1.172 18032
8710 1 16 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.177 0.043 18032
8711 1 16 . 1 1 89 89 ALA C C 89 180.000 180.000 179.226 0.774 18032
8712 1 16 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.051 -0.351 18032
8713 1 16 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.371 -0.371 18032
8714 1 16 . 1 1 89 89 ALA H H 89 8.170 8.170 8.147 0.023 18032
8715 1 16 . 1 1 90 90 ALA N N 90 120.100 120.100 119.179 0.921 18032
8716 1 16 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.000 0.270 18032
8717 1 16 . 1 1 90 90 ALA C C 90 179.200 179.200 178.506 0.694 18032
8718 1 16 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.247 -0.347 18032
8719 1 16 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.340 0.160 18032
8720 1 16 . 1 1 90 90 ALA H H 90 7.820 7.820 7.761 0.059 18032
8721 1 16 . 1 1 91 91 LYS N N 91 118.900 118.900 119.584 -0.684 18032
8722 1 16 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.167 0.023 18032
8723 1 16 . 1 1 91 91 LYS C C 91 178.400 178.400 178.526 -0.126 18032
8724 1 16 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.036 0.464 18032
8725 1 16 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.328 0.073 18032
8726 1 16 . 1 1 91 91 LYS H H 91 7.660 7.660 7.773 -0.113 18032
8727 1 16 . 1 1 92 92 GLY N N 92 107.200 107.200 106.271 0.929 18032
8728 1 16 . 1 1 92 92 GLY C C 92 174.700 174.700 174.118 0.582 18032
8729 1 16 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.614 0.386 18032
8730 1 16 . 1 1 92 92 GLY H H 92 8.090 8.090 8.039 0.051 18032
8731 1 16 . 1 1 93 93 ALA N N 93 123.300 123.300 121.553 1.747 18032
8732 1 16 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.532 -0.212 18032
8733 1 16 . 1 1 93 93 ALA C C 93 178.300 178.300 177.054 1.246 18032
8734 1 16 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.984 1.116 18032
8735 1 16 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.046 -1.046 18032
8736 1 16 . 1 1 93 93 ALA H H 93 7.900 7.900 7.258 0.642 18032
8737 1 16 . 1 1 94 94 LEU N N 94 119.800 119.800 118.860 0.940 18032
8738 1 16 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.970 0.320 18032
8739 1 16 . 1 1 94 94 LEU C C 94 177.900 177.900 177.511 0.389 18032
8740 1 16 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.856 1.044 18032
8741 1 16 . 1 1 94 94 LEU CB C 94 42.300 42.300 39.622 2.678 18032
8742 1 16 . 1 1 94 94 LEU H H 94 7.940 7.940 7.910 0.030 18032
8743 1 16 . 1 1 95 95 GLU N N 95 120.100 120.100 118.057 2.043 18032
8744 1 16 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.089 0.101 18032
8745 1 16 . 1 1 95 95 GLU C C 95 176.500 176.500 176.774 -0.274 18032
8746 1 16 . 1 1 95 95 GLU CA C 95 56.900 56.900 58.480 -1.580 18032
8747 1 16 . 1 1 95 95 GLU CB C 95 30.200 30.200 30.075 0.126 18032
8748 1 16 . 1 1 95 95 GLU H H 95 8.130 8.130 8.652 -0.522 18032
8749 1 16 . 1 1 96 96 HIS N N 96 119.200 119.200 116.233 2.967 18032
8750 1 16 . 1 1 96 96 HIS CA C 96 56.300 56.300 54.352 1.948 18032
8751 1 16 . 1 1 96 96 HIS CB C 96 30.300 30.300 30.552 -0.252 18032
8752 1 16 . 1 1 96 96 HIS H H 96 8.160 8.160 7.785 0.375 18032
8753 1 17 . 1 1 2 2 THR HA H 2 4.580 4.580 4.165 0.415 18032
8754 1 17 . 1 1 2 2 THR C C 2 174.500 174.500 173.661 0.839 18032
8755 1 17 . 1 1 2 2 THR CA C 2 61.700 61.700 62.624 -0.924 18032
8756 1 17 . 1 1 2 2 THR CB C 2 70.400 70.400 68.027 2.373 18032
8757 1 17 . 1 1 3 3 SER N N 3 120.600 120.600 113.969 6.631 18032
8758 1 17 . 1 1 3 3 SER HA H 3 4.770 4.770 4.491 0.279 18032
8759 1 17 . 1 1 3 3 SER C C 3 175.100 175.100 175.808 -0.708 18032
8760 1 17 . 1 1 3 3 SER CA C 3 58.300 58.300 58.192 0.108 18032
8761 1 17 . 1 1 3 3 SER CB C 3 65.000 65.000 64.659 0.341 18032
8762 1 17 . 1 1 3 3 SER H H 3 9.090 9.090 7.807 1.283 18032
8763 1 17 . 1 1 4 4 THR N N 4 120.500 120.500 118.791 1.709 18032
8764 1 17 . 1 1 4 4 THR HA H 4 4.230 4.230 4.506 -0.276 18032
8765 1 17 . 1 1 4 4 THR C C 4 176.200 176.200 176.617 -0.417 18032
8766 1 17 . 1 1 4 4 THR CA C 4 67.700 67.700 66.334 1.366 18032
8767 1 17 . 1 1 4 4 THR CB C 4 67.500 67.500 68.634 -1.134 18032
8768 1 17 . 1 1 4 4 THR H H 4 8.890 8.890 8.862 0.028 18032
8769 1 17 . 1 1 5 5 PHE N N 5 121.100 121.100 122.036 -0.936 18032
8770 1 17 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.252 -0.452 18032
8771 1 17 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.662 1.038 18032
8772 1 17 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.858 -0.158 18032
8773 1 17 . 1 1 5 5 PHE H H 5 9.110 9.110 8.415 0.695 18032
8774 1 17 . 1 1 6 6 ASP N N 6 119.800 119.800 118.648 1.152 18032
8775 1 17 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.020 -0.180 18032
8776 1 17 . 1 1 6 6 ASP C C 6 179.200 179.200 178.388 0.812 18032
8777 1 17 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.225 -0.325 18032
8778 1 17 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.452 0.448 18032
8779 1 17 . 1 1 6 6 ASP H H 6 8.120 8.120 8.198 -0.078 18032
8780 1 17 . 1 1 7 7 ARG N N 7 119.200 119.200 119.713 -0.513 18032
8781 1 17 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.055 0.015 18032
8782 1 17 . 1 1 7 7 ARG C C 7 179.400 179.400 178.674 0.726 18032
8783 1 17 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.393 0.907 18032
8784 1 17 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.739 1.361 18032
8785 1 17 . 1 1 7 7 ARG H H 7 8.020 8.020 7.826 0.194 18032
8786 1 17 . 1 1 8 8 VAL N N 8 120.600 120.600 119.714 0.886 18032
8787 1 17 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.750 -0.240 18032
8788 1 17 . 1 1 8 8 VAL C C 8 176.800 176.800 177.736 -0.936 18032
8789 1 17 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.522 0.478 18032
8790 1 17 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.365 0.235 18032
8791 1 17 . 1 1 8 8 VAL H H 8 8.520 8.520 8.134 0.386 18032
8792 1 17 . 1 1 9 9 ALA N N 9 122.800 122.800 121.469 1.331 18032
8793 1 17 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.944 -0.274 18032
8794 1 17 . 1 1 9 9 ALA C C 9 179.000 179.000 179.670 -0.670 18032
8795 1 17 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.434 0.366 18032
8796 1 17 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.724 -0.524 18032
8797 1 17 . 1 1 9 9 ALA H H 9 8.920 8.920 8.291 0.629 18032
8798 1 17 . 1 1 10 10 THR N N 10 114.300 114.300 116.312 -2.012 18032
8799 1 17 . 1 1 10 10 THR HA H 10 3.800 3.800 3.978 -0.178 18032
8800 1 17 . 1 1 10 10 THR C C 10 175.500 175.500 176.516 -1.016 18032
8801 1 17 . 1 1 10 10 THR CA C 10 67.400 67.400 67.201 0.199 18032
8802 1 17 . 1 1 10 10 THR CB C 10 68.900 68.900 68.516 0.384 18032
8803 1 17 . 1 1 10 10 THR H H 10 7.790 7.790 7.632 0.158 18032
8804 1 17 . 1 1 11 11 ILE N N 11 122.100 122.100 122.036 0.064 18032
8805 1 17 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.613 0.267 18032
8806 1 17 . 1 1 11 11 ILE C C 11 179.700 179.700 178.152 1.548 18032
8807 1 17 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.772 -0.272 18032
8808 1 17 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.707 0.893 18032
8809 1 17 . 1 1 11 11 ILE H H 11 7.760 7.760 7.880 -0.120 18032
8810 1 17 . 1 1 12 12 ILE N N 12 123.100 123.100 119.279 3.821 18032
8811 1 17 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.642 -0.232 18032
8812 1 17 . 1 1 12 12 ILE C C 12 176.800 176.800 177.684 -0.884 18032
8813 1 17 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.335 1.665 18032
8814 1 17 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.624 0.276 18032
8815 1 17 . 1 1 12 12 ILE H H 12 8.750 8.750 8.084 0.666 18032
8816 1 17 . 1 1 13 13 ALA N N 13 122.600 122.600 122.676 -0.076 18032
8817 1 17 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.307 -0.027 18032
8818 1 17 . 1 1 13 13 ALA C C 13 180.700 180.700 179.865 0.835 18032
8819 1 17 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.105 0.595 18032
8820 1 17 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.346 0.254 18032
8821 1 17 . 1 1 13 13 ALA H H 13 8.430 8.430 7.699 0.731 18032
8822 1 17 . 1 1 14 14 GLU N N 14 114.500 114.500 116.934 -2.434 18032
8823 1 17 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.166 0.024 18032
8824 1 17 . 1 1 14 14 GLU C C 14 179.100 179.100 179.177 -0.077 18032
8825 1 17 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.164 0.236 18032
8826 1 17 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.348 0.652 18032
8827 1 17 . 1 1 14 14 GLU H H 14 8.290 8.290 8.189 0.101 18032
8828 1 17 . 1 1 15 15 THR N N 15 115.500 115.500 115.450 0.050 18032
8829 1 17 . 1 1 15 15 THR HA H 15 4.080 4.080 4.101 -0.021 18032
8830 1 17 . 1 1 15 15 THR C C 15 176.200 176.200 175.834 0.366 18032
8831 1 17 . 1 1 15 15 THR CA C 15 66.500 66.500 66.129 0.371 18032
8832 1 17 . 1 1 15 15 THR CB C 15 69.400 69.400 69.247 0.153 18032
8833 1 17 . 1 1 15 15 THR H H 15 8.390 8.390 8.425 -0.035 18032
8834 1 17 . 1 1 16 16 CYS N N 16 116.000 116.000 117.363 -1.363 18032
8835 1 17 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.623 -0.053 18032
8836 1 17 . 1 1 16 16 CYS C C 16 173.700 173.700 173.598 0.102 18032
8837 1 17 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.917 0.283 18032
8838 1 17 . 1 1 16 16 CYS CB C 16 29.600 29.600 29.146 0.454 18032
8839 1 17 . 1 1 16 16 CYS H H 16 8.130 8.130 7.769 0.361 18032
8840 1 17 . 1 1 17 17 ASP N N 17 119.900 119.900 120.920 -1.020 18032
8841 1 17 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.487 -0.077 18032
8842 1 17 . 1 1 17 17 ASP C C 17 174.700 174.700 174.562 0.138 18032
8843 1 17 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.233 -0.033 18032
8844 1 17 . 1 1 17 17 ASP CB C 17 38.900 38.900 40.069 -1.169 18032
8845 1 17 . 1 1 17 17 ASP H H 17 7.740 7.740 7.878 -0.138 18032
8846 1 17 . 1 1 18 18 ILE N N 18 119.100 119.100 122.027 -2.927 18032
8847 1 17 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.523 0.067 18032
8848 1 17 . 1 1 18 18 ILE C C 18 179.400 179.400 174.199 5.201 18032
8849 1 17 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.274 0.526 18032
8850 1 17 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.821 2.179 18032
8851 1 17 . 1 1 18 18 ILE H H 18 7.410 7.410 7.460 -0.050 18032
8852 1 17 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.511 -0.141 18032
8853 1 17 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.074 0.026 18032
8854 1 17 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.675 -0.575 18032
8855 1 17 . 1 1 20 20 ARG N N 20 129.100 129.100 125.756 3.344 18032
8856 1 17 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.886 -0.026 18032
8857 1 17 . 1 1 20 20 ARG C C 20 178.500 178.500 178.692 -0.192 18032
8858 1 17 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.116 -0.316 18032
8859 1 17 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.770 -0.270 18032
8860 1 17 . 1 1 20 20 ARG H H 20 9.150 9.150 8.881 0.269 18032
8861 1 17 . 1 1 21 21 GLU N N 21 117.300 117.300 117.466 -0.166 18032
8862 1 17 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.171 0.129 18032
8863 1 17 . 1 1 21 21 GLU C C 21 177.200 177.200 177.494 -0.294 18032
8864 1 17 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.620 -0.020 18032
8865 1 17 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.980 -0.480 18032
8866 1 17 . 1 1 21 21 GLU H H 21 9.820 9.820 8.782 1.038 18032
8867 1 17 . 1 1 22 22 THR N N 22 110.200 110.200 110.129 0.071 18032
8868 1 17 . 1 1 22 22 THR HA H 22 4.340 4.340 4.330 0.010 18032
8869 1 17 . 1 1 22 22 THR C C 22 173.000 173.000 174.711 -1.711 18032
8870 1 17 . 1 1 22 22 THR CA C 22 62.300 62.300 62.391 -0.091 18032
8871 1 17 . 1 1 22 22 THR CB C 22 70.000 70.000 69.703 0.297 18032
8872 1 17 . 1 1 22 22 THR H H 22 7.780 7.780 7.763 0.017 18032
8873 1 17 . 1 1 23 23 ILE N N 23 122.600 122.600 126.183 -3.583 18032
8874 1 17 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.213 -0.213 18032
8875 1 17 . 1 1 23 23 ILE C C 23 174.700 174.700 175.281 -0.581 18032
8876 1 17 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.203 1.397 18032
8877 1 17 . 1 1 23 23 ILE CB C 23 38.500 38.500 36.411 2.089 18032
8878 1 17 . 1 1 23 23 ILE H H 23 7.590 7.590 7.302 0.288 18032
8879 1 17 . 1 1 24 24 THR N N 24 118.600 118.600 118.991 -0.391 18032
8880 1 17 . 1 1 24 24 THR HA H 24 5.290 5.290 4.994 0.296 18032
8881 1 17 . 1 1 24 24 THR CA C 24 59.000 59.000 58.770 0.230 18032
8882 1 17 . 1 1 24 24 THR CB C 24 69.800 69.800 69.876 -0.076 18032
8883 1 17 . 1 1 24 24 THR H H 24 8.580 8.580 7.817 0.763 18032
8884 1 17 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.831 -0.061 18032
8885 1 17 . 1 1 25 25 PRO C C 25 176.200 176.200 177.346 -1.146 18032
8886 1 17 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.687 0.213 18032
8887 1 17 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.596 0.204 18032
8888 1 17 . 1 1 26 26 GLU N N 26 110.900 110.900 115.704 -4.804 18032
8889 1 17 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.368 -0.198 18032
8890 1 17 . 1 1 26 26 GLU C C 26 176.900 176.900 176.058 0.842 18032
8891 1 17 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.533 0.767 18032
8892 1 17 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.438 0.062 18032
8893 1 17 . 1 1 26 26 GLU H H 26 7.380 7.380 8.415 -1.035 18032
8894 1 17 . 1 1 27 27 SER N N 27 118.100 118.100 116.560 1.540 18032
8895 1 17 . 1 1 27 27 SER HA H 27 4.300 4.300 4.568 -0.268 18032
8896 1 17 . 1 1 27 27 SER C C 27 172.100 172.100 173.352 -1.252 18032
8897 1 17 . 1 1 27 27 SER CA C 27 61.000 61.000 59.053 1.947 18032
8898 1 17 . 1 1 27 27 SER CB C 27 64.200 64.200 64.331 -0.131 18032
8899 1 17 . 1 1 27 27 SER H H 27 8.040 8.040 7.625 0.415 18032
8900 1 17 . 1 1 28 28 HIS N N 28 128.200 128.200 125.590 2.610 18032
8901 1 17 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.941 -0.201 18032
8902 1 17 . 1 1 28 28 HIS C C 28 178.200 178.200 175.984 2.216 18032
8903 1 17 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.230 0.070 18032
8904 1 17 . 1 1 28 28 HIS CB C 28 32.600 32.600 30.960 1.639 18032
8905 1 17 . 1 1 28 28 HIS H H 28 10.680 10.680 8.944 1.736 18032
8906 1 17 . 1 1 29 29 ALA N N 29 130.100 130.100 131.967 -1.867 18032
8907 1 17 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.042 -0.092 18032
8908 1 17 . 1 1 29 29 ALA C C 29 175.700 175.700 178.374 -2.674 18032
8909 1 17 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.882 0.018 18032
8910 1 17 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.891 -0.091 18032
8911 1 17 . 1 1 29 29 ALA H H 29 9.270 9.270 8.941 0.329 18032
8912 1 17 . 1 1 30 30 ILE N N 30 113.300 113.300 115.750 -2.450 18032
8913 1 17 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.419 -0.209 18032
8914 1 17 . 1 1 30 30 ILE C C 30 177.200 177.200 178.017 -0.817 18032
8915 1 17 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.748 -0.848 18032
8916 1 17 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.501 0.599 18032
8917 1 17 . 1 1 30 30 ILE H H 30 8.540 8.540 7.650 0.890 18032
8918 1 17 . 1 1 31 31 ASP N N 31 120.600 120.600 119.209 1.391 18032
8919 1 17 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.499 -0.319 18032
8920 1 17 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.909 0.591 18032
8921 1 17 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.352 -1.352 18032
8922 1 17 . 1 1 31 31 ASP H H 31 8.480 8.480 8.556 -0.076 18032
8923 1 17 . 1 1 32 32 ASP N N 32 114.200 114.200 118.897 -4.697 18032
8924 1 17 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.617 0.443 18032
8925 1 17 . 1 1 32 32 ASP C C 32 177.500 177.500 178.015 -0.515 18032
8926 1 17 . 1 1 32 32 ASP CA C 32 56.000 56.000 56.099 -0.099 18032
8927 1 17 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.773 0.427 18032
8928 1 17 . 1 1 32 32 ASP H H 32 8.450 8.450 8.040 0.410 18032
8929 1 17 . 1 1 33 33 LEU N N 33 114.000 114.000 118.101 -4.101 18032
8930 1 17 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.407 0.063 18032
8931 1 17 . 1 1 33 33 LEU C C 33 177.400 177.400 177.341 0.059 18032
8932 1 17 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.412 -0.512 18032
8933 1 17 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.744 -1.544 18032
8934 1 17 . 1 1 33 33 LEU H H 33 7.230 7.230 7.999 -0.769 18032
8935 1 17 . 1 1 34 34 GLY N N 34 107.000 107.000 107.306 -0.306 18032
8936 1 17 . 1 1 34 34 GLY C C 34 174.500 174.500 174.686 -0.186 18032
8937 1 17 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.648 1.252 18032
8938 1 17 . 1 1 34 34 GLY H H 34 7.330 7.330 8.063 -0.733 18032
8939 1 17 . 1 1 35 35 ILE N N 35 120.700 120.700 120.750 -0.050 18032
8940 1 17 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.113 -0.003 18032
8941 1 17 . 1 1 35 35 ILE C C 35 175.300 175.300 174.699 0.601 18032
8942 1 17 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.945 1.055 18032
8943 1 17 . 1 1 35 35 ILE CB C 35 37.900 37.900 37.990 -0.090 18032
8944 1 17 . 1 1 35 35 ILE H H 35 7.820 7.820 8.119 -0.299 18032
8945 1 17 . 1 1 36 36 ASP N N 36 126.800 126.800 128.487 -1.687 18032
8946 1 17 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.585 0.255 18032
8947 1 17 . 1 1 36 36 ASP C C 36 177.100 177.100 177.329 -0.229 18032
8948 1 17 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.957 -1.357 18032
8949 1 17 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.870 -0.370 18032
8950 1 17 . 1 1 36 36 ASP H H 36 8.780 8.780 8.109 0.671 18032
8951 1 17 . 1 1 37 37 SER N N 37 114.000 114.000 118.127 -4.127 18032
8952 1 17 . 1 1 37 37 SER HA H 37 4.170 4.170 4.250 -0.080 18032
8953 1 17 . 1 1 37 37 SER C C 37 175.700 175.700 176.538 -0.838 18032
8954 1 17 . 1 1 37 37 SER CA C 37 60.700 60.700 61.389 -0.689 18032
8955 1 17 . 1 1 37 37 SER CB C 37 65.800 65.800 62.942 2.858 18032
8956 1 17 . 1 1 37 37 SER H H 37 8.750 8.750 8.495 0.256 18032
8957 1 17 . 1 1 38 38 LEU N N 38 123.200 123.200 118.698 4.502 18032
8958 1 17 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.135 0.085 18032
8959 1 17 . 1 1 38 38 LEU C C 38 180.200 180.200 178.384 1.816 18032
8960 1 17 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.297 0.503 18032
8961 1 17 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.657 -0.657 18032
8962 1 17 . 1 1 38 38 LEU H H 38 8.030 8.030 8.021 0.009 18032
8963 1 17 . 1 1 39 39 ASP N N 39 121.500 121.500 119.163 2.337 18032
8964 1 17 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.623 -0.183 18032
8965 1 17 . 1 1 39 39 ASP C C 39 179.000 179.000 178.114 0.886 18032
8966 1 17 . 1 1 39 39 ASP CA C 39 57.200 57.200 56.920 0.280 18032
8967 1 17 . 1 1 39 39 ASP CB C 39 41.200 41.200 41.553 -0.353 18032
8968 1 17 . 1 1 39 39 ASP H H 39 8.390 8.390 7.674 0.716 18032
8969 1 17 . 1 1 40 40 PHE N N 40 118.900 118.900 121.666 -2.766 18032
8970 1 17 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.317 -0.267 18032
8971 1 17 . 1 1 40 40 PHE C C 40 177.500 177.500 177.025 0.475 18032
8972 1 17 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.451 1.349 18032
8973 1 17 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.282 -0.882 18032
8974 1 17 . 1 1 40 40 PHE H H 40 8.640 8.640 8.111 0.529 18032
8975 1 17 . 1 1 41 41 LEU N N 41 118.800 118.800 119.798 -0.998 18032
8976 1 17 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.849 0.131 18032
8977 1 17 . 1 1 41 41 LEU C C 41 179.300 179.300 178.778 0.522 18032
8978 1 17 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.683 -0.283 18032
8979 1 17 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.180 -0.180 18032
8980 1 17 . 1 1 41 41 LEU H H 41 7.660 7.660 8.161 -0.501 18032
8981 1 17 . 1 1 42 42 ASP N N 42 119.700 119.700 118.743 0.957 18032
8982 1 17 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.688 -0.098 18032
8983 1 17 . 1 1 42 42 ASP C C 42 179.800 179.800 178.721 1.079 18032
8984 1 17 . 1 1 42 42 ASP CA C 42 57.600 57.600 56.955 0.645 18032
8985 1 17 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.697 -0.397 18032
8986 1 17 . 1 1 42 42 ASP H H 42 7.320 7.320 7.935 -0.615 18032
8987 1 17 . 1 1 43 43 ILE N N 43 122.700 122.700 119.899 2.801 18032
8988 1 17 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.664 -0.144 18032
8989 1 17 . 1 1 43 43 ILE C C 43 177.100 177.100 177.694 -0.594 18032
8990 1 17 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.954 0.246 18032
8991 1 17 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.615 0.285 18032
8992 1 17 . 1 1 43 43 ILE H H 43 8.090 8.090 7.375 0.715 18032
8993 1 17 . 1 1 44 44 ALA N N 44 122.600 122.600 122.730 -0.130 18032
8994 1 17 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.878 -0.018 18032
8995 1 17 . 1 1 44 44 ALA C C 44 178.500 178.500 179.332 -0.832 18032
8996 1 17 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.778 0.922 18032
8997 1 17 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.823 0.477 18032
8998 1 17 . 1 1 44 44 ALA H H 44 8.830 8.830 7.568 1.262 18032
8999 1 17 . 1 1 45 45 PHE N N 45 117.300 117.300 118.711 -1.411 18032
9000 1 17 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.128 0.372 18032
9001 1 17 . 1 1 45 45 PHE C C 45 178.300 178.300 177.521 0.779 18032
9002 1 17 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.818 -1.218 18032
9003 1 17 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.597 0.103 18032
9004 1 17 . 1 1 45 45 PHE H H 45 8.090 8.090 7.978 0.112 18032
9005 1 17 . 1 1 46 46 ALA N N 46 121.600 121.600 122.147 -0.547 18032
9006 1 17 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.044 0.126 18032
9007 1 17 . 1 1 46 46 ALA C C 46 181.400 181.400 179.375 2.025 18032
9008 1 17 . 1 1 46 46 ALA CA C 46 55.000 55.000 54.971 0.029 18032
9009 1 17 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.157 1.042 18032
9010 1 17 . 1 1 46 46 ALA H H 46 7.780 7.780 7.925 -0.145 18032
9011 1 17 . 1 1 47 47 ILE N N 47 122.900 122.900 119.418 3.482 18032
9012 1 17 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.751 0.029 18032
9013 1 17 . 1 1 47 47 ILE C C 47 177.000 177.000 177.725 -0.725 18032
9014 1 17 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.956 0.044 18032
9015 1 17 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.774 0.226 18032
9016 1 17 . 1 1 47 47 ILE H H 47 8.960 8.960 7.767 1.193 18032
9017 1 17 . 1 1 48 48 ASP N N 48 123.900 123.900 120.779 3.121 18032
9018 1 17 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.418 -0.048 18032
9019 1 17 . 1 1 48 48 ASP C C 48 180.200 180.200 178.934 1.266 18032
9020 1 17 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.627 0.073 18032
9021 1 17 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.153 0.147 18032
9022 1 17 . 1 1 48 48 ASP H H 48 8.950 8.950 8.365 0.585 18032
9023 1 17 . 1 1 49 49 LYS N N 49 117.500 117.500 117.626 -0.126 18032
9024 1 17 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.179 -0.159 18032
9025 1 17 . 1 1 49 49 LYS C C 49 178.800 178.800 178.336 0.464 18032
9026 1 17 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.217 0.383 18032
9027 1 17 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.538 0.062 18032
9028 1 17 . 1 1 49 49 LYS H H 49 7.590 7.590 7.888 -0.298 18032
9029 1 17 . 1 1 50 50 ALA N N 50 121.100 121.100 122.091 -0.991 18032
9030 1 17 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.143 -0.113 18032
9031 1 17 . 1 1 50 50 ALA C C 50 179.400 179.400 178.745 0.655 18032
9032 1 17 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.393 0.207 18032
9033 1 17 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.938 0.162 18032
9034 1 17 . 1 1 50 50 ALA H H 50 8.180 8.180 7.861 0.319 18032
9035 1 17 . 1 1 51 51 PHE N N 51 111.600 111.600 115.201 -3.601 18032
9036 1 17 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.595 -0.055 18032
9037 1 17 . 1 1 51 51 PHE C C 51 176.200 176.200 175.917 0.283 18032
9038 1 17 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.394 0.006 18032
9039 1 17 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.430 1.070 18032
9040 1 17 . 1 1 51 51 PHE H H 51 8.620 8.620 8.030 0.590 18032
9041 1 17 . 1 1 52 52 GLY N N 52 112.100 112.100 107.639 4.461 18032
9042 1 17 . 1 1 52 52 GLY C C 52 174.900 174.900 174.326 0.574 18032
9043 1 17 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.641 1.859 18032
9044 1 17 . 1 1 52 52 GLY H H 52 8.140 8.140 8.018 0.122 18032
9045 1 17 . 1 1 53 53 ILE N N 53 111.000 111.000 115.077 -4.077 18032
9046 1 17 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.516 0.154 18032
9047 1 17 . 1 1 53 53 ILE C C 53 173.500 173.500 173.702 -0.202 18032
9048 1 17 . 1 1 53 53 ILE CA C 53 58.600 58.600 59.502 -0.902 18032
9049 1 17 . 1 1 53 53 ILE CB C 53 42.900 42.900 39.586 3.314 18032
9050 1 17 . 1 1 53 53 ILE H H 53 7.520 7.520 7.572 -0.052 18032
9051 1 17 . 1 1 54 54 LYS N N 54 119.600 119.600 119.284 0.316 18032
9052 1 17 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.722 -0.112 18032
9053 1 17 . 1 1 54 54 LYS C C 54 175.900 175.900 175.258 0.642 18032
9054 1 17 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.327 -1.026 18032
9055 1 17 . 1 1 54 54 LYS CB C 54 33.000 33.000 34.592 -1.592 18032
9056 1 17 . 1 1 54 54 LYS H H 54 7.940 7.940 8.071 -0.131 18032
9057 1 17 . 1 1 55 55 LEU N N 55 130.800 130.800 126.620 4.180 18032
9058 1 17 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.414 -0.564 18032
9059 1 17 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.151 1.149 18032
9060 1 17 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.569 0.431 18032
9061 1 17 . 1 1 55 55 LEU H H 55 10.700 10.700 8.370 2.330 18032
9062 1 17 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.229 0.371 18032
9063 1 17 . 1 1 56 56 PRO C C 56 174.600 174.600 175.840 -1.240 18032
9064 1 17 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.107 -0.607 18032
9065 1 17 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.578 -3.078 18032
9066 1 17 . 1 1 57 57 LEU N N 57 121.300 121.300 124.099 -2.799 18032
9067 1 17 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.654 -0.244 18032
9068 1 17 . 1 1 57 57 LEU C C 57 179.100 179.100 178.032 1.068 18032
9069 1 17 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.124 0.076 18032
9070 1 17 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.655 0.445 18032
9071 1 17 . 1 1 57 57 LEU H H 57 7.490 7.490 7.679 -0.189 18032
9072 1 17 . 1 1 58 58 GLU N N 58 119.200 119.200 118.716 0.484 18032
9073 1 17 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.935 0.045 18032
9074 1 17 . 1 1 58 58 GLU C C 58 178.500 178.500 178.660 -0.160 18032
9075 1 17 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.755 0.145 18032
9076 1 17 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.849 -0.149 18032
9077 1 17 . 1 1 58 58 GLU H H 58 8.860 8.860 8.575 0.285 18032
9078 1 17 . 1 1 59 59 LYS N N 59 122.100 122.100 120.712 1.388 18032
9079 1 17 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.015 0.085 18032
9080 1 17 . 1 1 59 59 LYS C C 59 178.700 178.700 178.871 -0.171 18032
9081 1 17 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.269 -0.369 18032
9082 1 17 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.006 0.194 18032
9083 1 17 . 1 1 59 59 LYS H H 59 7.420 7.420 7.953 -0.533 18032
9084 1 17 . 1 1 60 60 TRP N N 60 120.000 120.000 118.238 1.762 18032
9085 1 17 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.369 -0.169 18032
9086 1 17 . 1 1 60 60 TRP C C 60 178.300 178.300 179.404 -1.104 18032
9087 1 17 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.463 0.237 18032
9088 1 17 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.844 0.756 18032
9089 1 17 . 1 1 60 60 TRP H H 60 8.140 8.140 7.907 0.233 18032
9090 1 17 . 1 1 61 61 THR N N 61 113.200 113.200 116.087 -2.887 18032
9091 1 17 . 1 1 61 61 THR HA H 61 3.870 3.870 4.069 -0.199 18032
9092 1 17 . 1 1 61 61 THR C C 61 176.300 176.300 177.222 -0.922 18032
9093 1 17 . 1 1 61 61 THR CA C 61 67.100 67.100 67.138 -0.038 18032
9094 1 17 . 1 1 61 61 THR CB C 61 68.900 68.900 68.591 0.309 18032
9095 1 17 . 1 1 61 61 THR H H 61 8.390 8.390 8.341 0.049 18032
9096 1 17 . 1 1 62 62 GLN N N 62 122.300 122.300 120.185 2.115 18032
9097 1 17 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.225 -0.185 18032
9098 1 17 . 1 1 62 62 GLN C C 62 177.900 177.900 178.471 -0.571 18032
9099 1 17 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.621 0.379 18032
9100 1 17 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.194 -0.094 18032
9101 1 17 . 1 1 62 62 GLN H H 62 7.810 7.810 7.816 -0.006 18032
9102 1 17 . 1 1 63 63 GLU N N 63 119.000 119.000 120.652 -1.652 18032
9103 1 17 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.130 -0.060 18032
9104 1 17 . 1 1 63 63 GLU C C 63 180.000 180.000 179.557 0.443 18032
9105 1 17 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.516 0.684 18032
9106 1 17 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.620 0.779 18032
9107 1 17 . 1 1 63 63 GLU H H 63 8.410 8.410 8.100 0.310 18032
9108 1 17 . 1 1 64 64 VAL N N 64 119.600 119.600 120.361 -0.761 18032
9109 1 17 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.187 -0.067 18032
9110 1 17 . 1 1 64 64 VAL C C 64 180.600 180.600 178.753 1.847 18032
9111 1 17 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.310 -0.910 18032
9112 1 17 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.941 -0.041 18032
9113 1 17 . 1 1 64 64 VAL H H 64 8.170 8.170 8.181 -0.011 18032
9114 1 17 . 1 1 65 65 ASN N N 65 121.700 121.700 119.183 2.517 18032
9115 1 17 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.541 -0.031 18032
9116 1 17 . 1 1 65 65 ASN C C 65 177.300 177.300 176.820 0.480 18032
9117 1 17 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.768 0.532 18032
9118 1 17 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.134 -0.034 18032
9119 1 17 . 1 1 65 65 ASN H H 65 8.550 8.550 8.148 0.402 18032
9120 1 17 . 1 1 66 66 ASP N N 66 118.000 118.000 117.180 0.820 18032
9121 1 17 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.722 0.048 18032
9122 1 17 . 1 1 66 66 ASP C C 66 177.000 177.000 177.254 -0.254 18032
9123 1 17 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.540 0.260 18032
9124 1 17 . 1 1 66 66 ASP CB C 66 41.300 41.300 40.952 0.348 18032
9125 1 17 . 1 1 66 66 ASP H H 66 8.470 8.470 8.088 0.382 18032
9126 1 17 . 1 1 67 67 GLY N N 67 108.600 108.600 108.059 0.541 18032
9127 1 17 . 1 1 67 67 GLY C C 67 174.800 174.800 175.532 -0.732 18032
9128 1 17 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.033 -0.033 18032
9129 1 17 . 1 1 67 67 GLY H H 67 8.100 8.100 7.771 0.329 18032
9130 1 17 . 1 1 68 68 LYS N N 68 118.900 118.900 119.753 -0.853 18032
9131 1 17 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.159 0.151 18032
9132 1 17 . 1 1 68 68 LYS C C 68 175.100 175.100 176.183 -1.083 18032
9133 1 17 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.562 -1.162 18032
9134 1 17 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.173 0.327 18032
9135 1 17 . 1 1 68 68 LYS H H 68 8.400 8.400 8.004 0.397 18032
9136 1 17 . 1 1 69 69 ALA N N 69 120.400 120.400 120.549 -0.149 18032
9137 1 17 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.680 -0.050 18032
9138 1 17 . 1 1 69 69 ALA C C 69 175.900 175.900 175.622 0.278 18032
9139 1 17 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.762 -0.262 18032
9140 1 17 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.875 2.125 18032
9141 1 17 . 1 1 69 69 ALA H H 69 7.490 7.490 7.621 -0.131 18032
9142 1 17 . 1 1 70 70 THR N N 70 109.700 109.700 118.851 -9.151 18032
9143 1 17 . 1 1 70 70 THR HA H 70 4.750 4.750 4.357 0.393 18032
9144 1 17 . 1 1 70 70 THR C C 70 175.600 175.600 176.004 -0.404 18032
9145 1 17 . 1 1 70 70 THR CA C 70 59.600 59.600 62.251 -2.651 18032
9146 1 17 . 1 1 70 70 THR CB C 70 70.700 70.700 69.862 0.838 18032
9147 1 17 . 1 1 70 70 THR H H 70 7.930 7.930 8.524 -0.594 18032
9148 1 17 . 1 1 71 71 THR N N 71 111.300 111.300 116.516 -5.216 18032
9149 1 17 . 1 1 71 71 THR HA H 71 4.110 4.110 4.160 -0.050 18032
9150 1 17 . 1 1 71 71 THR C C 71 177.500 177.500 176.817 0.683 18032
9151 1 17 . 1 1 71 71 THR CA C 71 65.100 65.100 66.145 -1.045 18032
9152 1 17 . 1 1 71 71 THR CB C 71 68.900 68.900 68.699 0.201 18032
9153 1 17 . 1 1 71 71 THR H H 71 9.030 9.030 8.619 0.411 18032
9154 1 17 . 1 1 72 72 GLU N N 72 122.300 122.300 121.439 0.861 18032
9155 1 17 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.099 -0.239 18032
9156 1 17 . 1 1 72 72 GLU C C 72 177.500 177.500 179.209 -1.709 18032
9157 1 17 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.684 0.216 18032
9158 1 17 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.991 0.010 18032
9159 1 17 . 1 1 72 72 GLU H H 72 8.830 8.830 8.908 -0.078 18032
9160 1 17 . 1 1 73 73 GLN N N 73 116.900 116.900 117.201 -0.301 18032
9161 1 17 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.800 -0.170 18032
9162 1 17 . 1 1 73 73 GLN C C 73 174.000 174.000 177.260 -3.260 18032
9163 1 17 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.318 -0.318 18032
9164 1 17 . 1 1 73 73 GLN CB C 73 28.600 28.600 27.942 0.658 18032
9165 1 17 . 1 1 73 73 GLN H H 73 7.280 7.280 8.281 -1.001 18032
9166 1 17 . 1 1 74 74 TYR N N 74 112.700 112.700 115.052 -2.352 18032
9167 1 17 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.005 0.075 18032
9168 1 17 . 1 1 74 74 TYR C C 74 173.900 173.900 177.069 -3.169 18032
9169 1 17 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.399 -1.599 18032
9170 1 17 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.123 1.177 18032
9171 1 17 . 1 1 74 74 TYR H H 74 6.310 6.310 7.253 -0.943 18032
9172 1 17 . 1 1 75 75 PHE N N 75 108.000 108.000 116.030 -8.030 18032
9173 1 17 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.472 0.188 18032
9174 1 17 . 1 1 75 75 PHE C C 75 177.900 177.900 174.331 3.569 18032
9175 1 17 . 1 1 75 75 PHE CA C 75 57.400 57.400 57.721 -0.321 18032
9176 1 17 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.203 1.497 18032
9177 1 17 . 1 1 75 75 PHE H H 75 7.760 7.760 7.984 -0.224 18032
9178 1 17 . 1 1 76 76 VAL N N 76 120.700 120.700 120.377 0.323 18032
9179 1 17 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.520 0.250 18032
9180 1 17 . 1 1 76 76 VAL C C 76 180.000 180.000 176.681 3.319 18032
9181 1 17 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.357 1.543 18032
9182 1 17 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.734 -1.534 18032
9183 1 17 . 1 1 76 76 VAL H H 76 7.010 7.010 7.616 -0.606 18032
9184 1 17 . 1 1 77 77 LEU N N 77 131.600 131.600 128.764 2.836 18032
9185 1 17 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.083 -0.053 18032
9186 1 17 . 1 1 77 77 LEU C C 77 179.000 179.000 179.087 -0.087 18032
9187 1 17 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.799 0.301 18032
9188 1 17 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.005 -0.005 18032
9189 1 17 . 1 1 77 77 LEU H H 77 8.860 8.860 8.600 0.260 18032
9190 1 17 . 1 1 78 78 LYS N N 78 116.700 116.700 118.679 -1.979 18032
9191 1 17 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.003 0.207 18032
9192 1 17 . 1 1 78 78 LYS C C 78 178.000 178.000 178.855 -0.855 18032
9193 1 17 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.078 0.022 18032
9194 1 17 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.666 -0.566 18032
9195 1 17 . 1 1 78 78 LYS H H 78 9.540 9.540 8.353 1.187 18032
9196 1 17 . 1 1 79 79 ASN N N 79 121.500 121.500 119.562 1.938 18032
9197 1 17 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.482 0.168 18032
9198 1 17 . 1 1 79 79 ASN C C 79 176.200 176.200 177.566 -1.366 18032
9199 1 17 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.388 -0.788 18032
9200 1 17 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.105 -0.905 18032
9201 1 17 . 1 1 79 79 ASN H H 79 7.340 7.340 7.895 -0.555 18032
9202 1 17 . 1 1 80 80 LEU N N 80 124.300 124.300 122.646 1.654 18032
9203 1 17 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.196 -0.166 18032
9204 1 17 . 1 1 80 80 LEU C C 80 178.700 178.700 178.016 0.684 18032
9205 1 17 . 1 1 80 80 LEU CA C 80 58.800 58.800 57.944 0.856 18032
9206 1 17 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.705 -0.905 18032
9207 1 17 . 1 1 80 80 LEU H H 80 8.260 8.260 8.512 -0.252 18032
9208 1 17 . 1 1 81 81 ALA N N 81 118.100 118.100 120.776 -2.676 18032
9209 1 17 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.896 -0.026 18032
9210 1 17 . 1 1 81 81 ALA C C 81 177.600 177.600 179.098 -1.498 18032
9211 1 17 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.052 0.148 18032
9212 1 17 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.008 -0.708 18032
9213 1 17 . 1 1 81 81 ALA H H 81 8.580 8.580 7.855 0.725 18032
9214 1 17 . 1 1 82 82 ALA N N 82 119.800 119.800 120.718 -0.918 18032
9215 1 17 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.936 0.274 18032
9216 1 17 . 1 1 82 82 ALA C C 82 180.700 180.700 179.472 1.228 18032
9217 1 17 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.630 0.770 18032
9218 1 17 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.389 -0.489 18032
9219 1 17 . 1 1 82 82 ALA H H 82 7.230 7.230 7.557 -0.327 18032
9220 1 17 . 1 1 83 83 ARG N N 83 118.300 118.300 119.171 -0.871 18032
9221 1 17 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.033 0.307 18032
9222 1 17 . 1 1 83 83 ARG C C 83 180.500 180.500 178.945 1.555 18032
9223 1 17 . 1 1 83 83 ARG CA C 83 58.500 58.500 57.991 0.509 18032
9224 1 17 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.562 2.338 18032
9225 1 17 . 1 1 83 83 ARG H H 83 8.510 8.510 7.905 0.605 18032
9226 1 17 . 1 1 84 84 ILE N N 84 121.300 121.300 119.805 1.495 18032
9227 1 17 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.644 -0.264 18032
9228 1 17 . 1 1 84 84 ILE C C 84 177.300 177.300 177.634 -0.334 18032
9229 1 17 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.731 0.469 18032
9230 1 17 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.319 0.381 18032
9231 1 17 . 1 1 84 84 ILE H H 84 8.340 8.340 8.289 0.051 18032
9232 1 17 . 1 1 85 85 ASP N N 85 120.200 120.200 119.479 0.721 18032
9233 1 17 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.247 0.163 18032
9234 1 17 . 1 1 85 85 ASP C C 85 180.200 180.200 178.413 1.787 18032
9235 1 17 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.556 0.444 18032
9236 1 17 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.740 -1.240 18032
9237 1 17 . 1 1 85 85 ASP H H 85 8.330 8.330 7.719 0.611 18032
9238 1 17 . 1 1 86 86 GLU N N 86 121.100 121.100 119.441 1.659 18032
9239 1 17 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.062 0.058 18032
9240 1 17 . 1 1 86 86 GLU C C 86 179.800 179.800 179.427 0.373 18032
9241 1 17 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.264 0.036 18032
9242 1 17 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.464 0.036 18032
9243 1 17 . 1 1 86 86 GLU H H 86 8.060 8.060 8.062 -0.002 18032
9244 1 17 . 1 1 87 87 LEU N N 87 122.700 122.700 119.195 3.505 18032
9245 1 17 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.166 0.034 18032
9246 1 17 . 1 1 87 87 LEU C C 87 180.500 180.500 179.374 1.126 18032
9247 1 17 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.398 0.802 18032
9248 1 17 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.854 0.246 18032
9249 1 17 . 1 1 87 87 LEU H H 87 8.090 8.090 7.803 0.287 18032
9250 1 17 . 1 1 88 88 VAL N N 88 122.800 122.800 120.740 2.060 18032
9251 1 17 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.651 -0.111 18032
9252 1 17 . 1 1 88 88 VAL C C 88 179.200 179.200 177.831 1.369 18032
9253 1 17 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.810 -0.010 18032
9254 1 17 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.298 1.002 18032
9255 1 17 . 1 1 88 88 VAL H H 88 9.030 9.030 7.988 1.042 18032
9256 1 17 . 1 1 89 89 ALA N N 89 122.900 122.900 121.316 1.584 18032
9257 1 17 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.064 0.156 18032
9258 1 17 . 1 1 89 89 ALA C C 89 180.000 180.000 179.168 0.832 18032
9259 1 17 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.959 -0.259 18032
9260 1 17 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.286 -0.286 18032
9261 1 17 . 1 1 89 89 ALA H H 89 8.170 8.170 7.879 0.291 18032
9262 1 17 . 1 1 90 90 ALA N N 90 120.100 120.100 120.369 -0.269 18032
9263 1 17 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.299 -0.029 18032
9264 1 17 . 1 1 90 90 ALA C C 90 179.200 179.200 180.052 -0.852 18032
9265 1 17 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.455 -0.555 18032
9266 1 17 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.595 -0.095 18032
9267 1 17 . 1 1 90 90 ALA H H 90 7.820 7.820 8.042 -0.222 18032
9268 1 17 . 1 1 91 91 LYS N N 91 118.900 118.900 119.410 -0.510 18032
9269 1 17 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.193 -0.003 18032
9270 1 17 . 1 1 91 91 LYS C C 91 178.400 178.400 177.992 0.408 18032
9271 1 17 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.576 -0.076 18032
9272 1 17 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.526 -0.126 18032
9273 1 17 . 1 1 91 91 LYS H H 91 7.660 7.660 7.964 -0.304 18032
9274 1 17 . 1 1 92 92 GLY N N 92 107.200 107.200 104.970 2.230 18032
9275 1 17 . 1 1 92 92 GLY C C 92 174.700 174.700 173.604 1.096 18032
9276 1 17 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.096 0.903 18032
9277 1 17 . 1 1 92 92 GLY H H 92 8.090 8.090 7.588 0.502 18032
9278 1 17 . 1 1 93 93 ALA N N 93 123.300 123.300 122.240 1.060 18032
9279 1 17 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.330 -0.010 18032
9280 1 17 . 1 1 93 93 ALA C C 93 178.300 178.300 175.374 2.926 18032
9281 1 17 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.049 1.051 18032
9282 1 17 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.173 -1.173 18032
9283 1 17 . 1 1 93 93 ALA H H 93 7.900 7.900 7.413 0.487 18032
9284 1 17 . 1 1 94 94 LEU N N 94 119.800 119.800 123.930 -4.130 18032
9285 1 17 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.618 -0.328 18032
9286 1 17 . 1 1 94 94 LEU C C 94 177.900 177.900 176.843 1.057 18032
9287 1 17 . 1 1 94 94 LEU CA C 94 55.900 55.900 53.291 2.610 18032
9288 1 17 . 1 1 94 94 LEU CB C 94 42.300 42.300 44.524 -2.224 18032
9289 1 17 . 1 1 94 94 LEU H H 94 7.940 7.940 8.056 -0.116 18032
9290 1 17 . 1 1 95 95 GLU N N 95 120.100 120.100 118.597 1.503 18032
9291 1 17 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.018 0.172 18032
9292 1 17 . 1 1 95 95 GLU C C 95 176.500 176.500 176.572 -0.072 18032
9293 1 17 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.105 -0.205 18032
9294 1 17 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.184 1.016 18032
9295 1 17 . 1 1 95 95 GLU H H 95 8.130 8.130 8.543 -0.413 18032
9296 1 17 . 1 1 96 96 HIS N N 96 119.200 119.200 119.535 -0.335 18032
9297 1 17 . 1 1 96 96 HIS CA C 96 56.300 56.300 58.222 -1.922 18032
9298 1 17 . 1 1 96 96 HIS CB C 96 30.300 30.300 28.705 1.595 18032
9299 1 17 . 1 1 96 96 HIS H H 96 8.160 8.160 8.751 -0.591 18032
9300 1 18 . 1 1 2 2 THR HA H 2 4.580 4.580 4.028 0.552 18032
9301 1 18 . 1 1 2 2 THR C C 2 174.500 174.500 173.733 0.767 18032
9302 1 18 . 1 1 2 2 THR CA C 2 61.700 61.700 63.676 -1.976 18032
9303 1 18 . 1 1 2 2 THR CB C 2 70.400 70.400 68.401 1.999 18032
9304 1 18 . 1 1 3 3 SER N N 3 120.600 120.600 114.734 5.866 18032
9305 1 18 . 1 1 3 3 SER HA H 3 4.770 4.770 4.866 -0.096 18032
9306 1 18 . 1 1 3 3 SER C C 3 175.100 175.100 175.288 -0.188 18032
9307 1 18 . 1 1 3 3 SER CA C 3 58.300 58.300 56.628 1.672 18032
9308 1 18 . 1 1 3 3 SER CB C 3 65.000 65.000 65.886 -0.886 18032
9309 1 18 . 1 1 3 3 SER H H 3 9.090 9.090 8.179 0.911 18032
9310 1 18 . 1 1 4 4 THR N N 4 120.500 120.500 120.497 0.003 18032
9311 1 18 . 1 1 4 4 THR HA H 4 4.230 4.230 4.310 -0.080 18032
9312 1 18 . 1 1 4 4 THR C C 4 176.200 176.200 176.444 -0.244 18032
9313 1 18 . 1 1 4 4 THR CA C 4 67.700 67.700 67.222 0.478 18032
9314 1 18 . 1 1 4 4 THR CB C 4 67.500 67.500 68.892 -1.392 18032
9315 1 18 . 1 1 4 4 THR H H 4 8.890 8.890 8.843 0.047 18032
9316 1 18 . 1 1 5 5 PHE N N 5 121.100 121.100 122.109 -1.009 18032
9317 1 18 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.214 -0.414 18032
9318 1 18 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.466 1.234 18032
9319 1 18 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.383 0.317 18032
9320 1 18 . 1 1 5 5 PHE H H 5 9.110 9.110 8.228 0.882 18032
9321 1 18 . 1 1 6 6 ASP N N 6 119.800 119.800 118.002 1.798 18032
9322 1 18 . 1 1 6 6 ASP HA H 6 3.840 3.840 3.967 -0.127 18032
9323 1 18 . 1 1 6 6 ASP C C 6 179.200 179.200 178.384 0.816 18032
9324 1 18 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.115 -0.215 18032
9325 1 18 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.250 0.650 18032
9326 1 18 . 1 1 6 6 ASP H H 6 8.120 8.120 8.355 -0.235 18032
9327 1 18 . 1 1 7 7 ARG N N 7 119.200 119.200 119.567 -0.367 18032
9328 1 18 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.044 0.026 18032
9329 1 18 . 1 1 7 7 ARG C C 7 179.400 179.400 178.685 0.715 18032
9330 1 18 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.483 0.817 18032
9331 1 18 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.771 1.329 18032
9332 1 18 . 1 1 7 7 ARG H H 7 8.020 8.020 7.785 0.235 18032
9333 1 18 . 1 1 8 8 VAL N N 8 120.600 120.600 119.588 1.012 18032
9334 1 18 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.783 -0.273 18032
9335 1 18 . 1 1 8 8 VAL C C 8 176.800 176.800 178.056 -1.256 18032
9336 1 18 . 1 1 8 8 VAL CA C 8 67.000 67.000 65.785 1.215 18032
9337 1 18 . 1 1 8 8 VAL CB C 8 31.600 31.600 30.803 0.797 18032
9338 1 18 . 1 1 8 8 VAL H H 8 8.520 8.520 8.205 0.315 18032
9339 1 18 . 1 1 9 9 ALA N N 9 122.800 122.800 121.678 1.122 18032
9340 1 18 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.912 -0.242 18032
9341 1 18 . 1 1 9 9 ALA C C 9 179.000 179.000 179.621 -0.621 18032
9342 1 18 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.331 0.469 18032
9343 1 18 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.883 -0.683 18032
9344 1 18 . 1 1 9 9 ALA H H 9 8.920 8.920 8.257 0.663 18032
9345 1 18 . 1 1 10 10 THR N N 10 114.300 114.300 116.115 -1.815 18032
9346 1 18 . 1 1 10 10 THR HA H 10 3.800 3.800 3.918 -0.118 18032
9347 1 18 . 1 1 10 10 THR C C 10 175.500 175.500 176.555 -1.055 18032
9348 1 18 . 1 1 10 10 THR CA C 10 67.400 67.400 67.314 0.086 18032
9349 1 18 . 1 1 10 10 THR CB C 10 68.900 68.900 68.736 0.164 18032
9350 1 18 . 1 1 10 10 THR H H 10 7.790 7.790 7.718 0.072 18032
9351 1 18 . 1 1 11 11 ILE N N 11 122.100 122.100 121.747 0.353 18032
9352 1 18 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.658 0.222 18032
9353 1 18 . 1 1 11 11 ILE C C 11 179.700 179.700 177.807 1.893 18032
9354 1 18 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.619 -0.119 18032
9355 1 18 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.620 0.980 18032
9356 1 18 . 1 1 11 11 ILE H H 11 7.760 7.760 7.800 -0.040 18032
9357 1 18 . 1 1 12 12 ILE N N 12 123.100 123.100 120.366 2.734 18032
9358 1 18 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.598 -0.188 18032
9359 1 18 . 1 1 12 12 ILE C C 12 176.800 176.800 177.861 -1.061 18032
9360 1 18 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.309 1.691 18032
9361 1 18 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.478 0.422 18032
9362 1 18 . 1 1 12 12 ILE H H 12 8.750 8.750 8.049 0.701 18032
9363 1 18 . 1 1 13 13 ALA N N 13 122.600 122.600 122.826 -0.226 18032
9364 1 18 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.269 0.011 18032
9365 1 18 . 1 1 13 13 ALA C C 13 180.700 180.700 179.919 0.781 18032
9366 1 18 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.147 0.553 18032
9367 1 18 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.241 0.360 18032
9368 1 18 . 1 1 13 13 ALA H H 13 8.430 8.430 7.997 0.433 18032
9369 1 18 . 1 1 14 14 GLU N N 14 114.500 114.500 117.413 -2.913 18032
9370 1 18 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.124 0.066 18032
9371 1 18 . 1 1 14 14 GLU C C 14 179.100 179.100 179.063 0.037 18032
9372 1 18 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.556 -0.156 18032
9373 1 18 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.492 0.508 18032
9374 1 18 . 1 1 14 14 GLU H H 14 8.290 8.290 7.981 0.309 18032
9375 1 18 . 1 1 15 15 THR N N 15 115.500 115.500 113.972 1.528 18032
9376 1 18 . 1 1 15 15 THR HA H 15 4.080 4.080 4.178 -0.098 18032
9377 1 18 . 1 1 15 15 THR C C 15 176.200 176.200 175.914 0.286 18032
9378 1 18 . 1 1 15 15 THR CA C 15 66.500 66.500 65.179 1.321 18032
9379 1 18 . 1 1 15 15 THR CB C 15 69.400 69.400 69.858 -0.458 18032
9380 1 18 . 1 1 15 15 THR H H 15 8.390 8.390 8.112 0.278 18032
9381 1 18 . 1 1 16 16 CYS N N 16 116.000 116.000 118.806 -2.806 18032
9382 1 18 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.684 -0.114 18032
9383 1 18 . 1 1 16 16 CYS C C 16 173.700 173.700 173.451 0.249 18032
9384 1 18 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.093 1.107 18032
9385 1 18 . 1 1 16 16 CYS CB C 16 29.600 29.600 29.113 0.487 18032
9386 1 18 . 1 1 16 16 CYS H H 16 8.130 8.130 8.019 0.111 18032
9387 1 18 . 1 1 17 17 ASP N N 17 119.900 119.900 121.380 -1.480 18032
9388 1 18 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.511 -0.101 18032
9389 1 18 . 1 1 17 17 ASP C C 17 174.700 174.700 174.559 0.141 18032
9390 1 18 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.248 -0.048 18032
9391 1 18 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.780 -0.880 18032
9392 1 18 . 1 1 17 17 ASP H H 17 7.740 7.740 7.781 -0.041 18032
9393 1 18 . 1 1 18 18 ILE N N 18 119.100 119.100 120.691 -1.591 18032
9394 1 18 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.584 0.006 18032
9395 1 18 . 1 1 18 18 ILE C C 18 179.400 179.400 173.964 5.436 18032
9396 1 18 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.692 1.108 18032
9397 1 18 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.754 3.246 18032
9398 1 18 . 1 1 18 18 ILE H H 18 7.410 7.410 7.675 -0.265 18032
9399 1 18 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.523 -0.153 18032
9400 1 18 . 1 1 19 19 PRO CA C 19 63.100 63.100 62.990 0.110 18032
9401 1 18 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.792 -0.692 18032
9402 1 18 . 1 1 20 20 ARG N N 20 129.100 129.100 125.973 3.127 18032
9403 1 18 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.964 -0.104 18032
9404 1 18 . 1 1 20 20 ARG C C 20 178.500 178.500 178.438 0.062 18032
9405 1 18 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.291 -0.491 18032
9406 1 18 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.883 -0.383 18032
9407 1 18 . 1 1 20 20 ARG H H 20 9.150 9.150 8.787 0.363 18032
9408 1 18 . 1 1 21 21 GLU N N 21 117.300 117.300 116.647 0.653 18032
9409 1 18 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.196 0.104 18032
9410 1 18 . 1 1 21 21 GLU C C 21 177.200 177.200 177.134 0.066 18032
9411 1 18 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.593 0.007 18032
9412 1 18 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.021 -0.521 18032
9413 1 18 . 1 1 21 21 GLU H H 21 9.820 9.820 8.848 0.972 18032
9414 1 18 . 1 1 22 22 THR N N 22 110.200 110.200 110.969 -0.769 18032
9415 1 18 . 1 1 22 22 THR HA H 22 4.340 4.340 4.444 -0.104 18032
9416 1 18 . 1 1 22 22 THR C C 22 173.000 173.000 174.065 -1.065 18032
9417 1 18 . 1 1 22 22 THR CA C 22 62.300 62.300 61.550 0.750 18032
9418 1 18 . 1 1 22 22 THR CB C 22 70.000 70.000 69.087 0.913 18032
9419 1 18 . 1 1 22 22 THR H H 22 7.780 7.780 7.641 0.139 18032
9420 1 18 . 1 1 23 23 ILE N N 23 122.600 122.600 125.726 -3.126 18032
9421 1 18 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.453 -0.453 18032
9422 1 18 . 1 1 23 23 ILE C C 23 174.700 174.700 174.918 -0.218 18032
9423 1 18 . 1 1 23 23 ILE CA C 23 62.600 62.600 60.403 2.197 18032
9424 1 18 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.740 0.760 18032
9425 1 18 . 1 1 23 23 ILE H H 23 7.590 7.590 7.417 0.173 18032
9426 1 18 . 1 1 24 24 THR N N 24 118.600 118.600 118.331 0.269 18032
9427 1 18 . 1 1 24 24 THR HA H 24 5.290 5.290 4.979 0.311 18032
9428 1 18 . 1 1 24 24 THR CA C 24 59.000 59.000 58.635 0.365 18032
9429 1 18 . 1 1 24 24 THR CB C 24 69.800 69.800 69.360 0.440 18032
9430 1 18 . 1 1 24 24 THR H H 24 8.580 8.580 8.369 0.211 18032
9431 1 18 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.817 -0.047 18032
9432 1 18 . 1 1 25 25 PRO C C 25 176.200 176.200 177.358 -1.158 18032
9433 1 18 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.709 0.191 18032
9434 1 18 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.381 0.419 18032
9435 1 18 . 1 1 26 26 GLU N N 26 110.900 110.900 113.930 -3.030 18032
9436 1 18 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.316 -0.146 18032
9437 1 18 . 1 1 26 26 GLU C C 26 176.900 176.900 176.143 0.757 18032
9438 1 18 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.230 1.070 18032
9439 1 18 . 1 1 26 26 GLU CB C 26 29.500 29.500 28.352 1.148 18032
9440 1 18 . 1 1 26 26 GLU H H 26 7.380 7.380 8.468 -1.088 18032
9441 1 18 . 1 1 27 27 SER N N 27 118.100 118.100 116.728 1.372 18032
9442 1 18 . 1 1 27 27 SER HA H 27 4.300 4.300 4.405 -0.105 18032
9443 1 18 . 1 1 27 27 SER C C 27 172.100 172.100 173.784 -1.684 18032
9444 1 18 . 1 1 27 27 SER CA C 27 61.000 61.000 58.453 2.546 18032
9445 1 18 . 1 1 27 27 SER CB C 27 64.200 64.200 64.385 -0.185 18032
9446 1 18 . 1 1 27 27 SER H H 27 8.040 8.040 7.371 0.669 18032
9447 1 18 . 1 1 28 28 HIS N N 28 128.200 128.200 127.452 0.748 18032
9448 1 18 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.949 -0.209 18032
9449 1 18 . 1 1 28 28 HIS C C 28 178.200 178.200 175.908 2.292 18032
9450 1 18 . 1 1 28 28 HIS CA C 28 56.300 56.300 55.849 0.451 18032
9451 1 18 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.769 0.831 18032
9452 1 18 . 1 1 28 28 HIS H H 28 10.680 10.680 8.817 1.863 18032
9453 1 18 . 1 1 29 29 ALA N N 29 130.100 130.100 131.651 -1.551 18032
9454 1 18 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.130 -0.180 18032
9455 1 18 . 1 1 29 29 ALA C C 29 175.700 175.700 178.803 -3.103 18032
9456 1 18 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.939 -0.039 18032
9457 1 18 . 1 1 29 29 ALA CB C 29 18.800 18.800 19.220 -0.420 18032
9458 1 18 . 1 1 29 29 ALA H H 29 9.270 9.270 8.736 0.534 18032
9459 1 18 . 1 1 30 30 ILE N N 30 113.300 113.300 115.554 -2.254 18032
9460 1 18 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.424 -0.214 18032
9461 1 18 . 1 1 30 30 ILE C C 30 177.200 177.200 177.827 -0.627 18032
9462 1 18 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.781 -0.881 18032
9463 1 18 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.712 0.388 18032
9464 1 18 . 1 1 30 30 ILE H H 30 8.540 8.540 8.111 0.429 18032
9465 1 18 . 1 1 31 31 ASP N N 31 120.600 120.600 118.039 2.561 18032
9466 1 18 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.568 -0.388 18032
9467 1 18 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.729 0.771 18032
9468 1 18 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.257 -1.257 18032
9469 1 18 . 1 1 31 31 ASP H H 31 8.480 8.480 8.297 0.183 18032
9470 1 18 . 1 1 32 32 ASP N N 32 114.200 114.200 119.369 -5.169 18032
9471 1 18 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.805 0.255 18032
9472 1 18 . 1 1 32 32 ASP C C 32 177.500 177.500 177.670 -0.170 18032
9473 1 18 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.118 0.882 18032
9474 1 18 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.744 -0.544 18032
9475 1 18 . 1 1 32 32 ASP H H 32 8.450 8.450 7.883 0.567 18032
9476 1 18 . 1 1 33 33 LEU N N 33 114.000 114.000 120.740 -6.740 18032
9477 1 18 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.328 0.142 18032
9478 1 18 . 1 1 33 33 LEU C C 33 177.400 177.400 177.662 -0.262 18032
9479 1 18 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.619 -0.719 18032
9480 1 18 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.729 -1.529 18032
9481 1 18 . 1 1 33 33 LEU H H 33 7.230 7.230 8.225 -0.995 18032
9482 1 18 . 1 1 34 34 GLY N N 34 107.000 107.000 107.817 -0.817 18032
9483 1 18 . 1 1 34 34 GLY C C 34 174.500 174.500 174.476 0.024 18032
9484 1 18 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.385 1.515 18032
9485 1 18 . 1 1 34 34 GLY H H 34 7.330 7.330 8.169 -0.839 18032
9486 1 18 . 1 1 35 35 ILE N N 35 120.700 120.700 120.411 0.289 18032
9487 1 18 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.263 -0.153 18032
9488 1 18 . 1 1 35 35 ILE C C 35 175.300 175.300 174.858 0.442 18032
9489 1 18 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.406 1.594 18032
9490 1 18 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.177 -1.277 18032
9491 1 18 . 1 1 35 35 ILE H H 35 7.820 7.820 8.004 -0.184 18032
9492 1 18 . 1 1 36 36 ASP N N 36 126.800 126.800 127.827 -1.027 18032
9493 1 18 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.659 0.181 18032
9494 1 18 . 1 1 36 36 ASP C C 36 177.100 177.100 177.311 -0.211 18032
9495 1 18 . 1 1 36 36 ASP CA C 36 52.600 52.600 53.541 -0.941 18032
9496 1 18 . 1 1 36 36 ASP CB C 36 42.500 42.500 43.112 -0.612 18032
9497 1 18 . 1 1 36 36 ASP H H 36 8.780 8.780 8.335 0.445 18032
9498 1 18 . 1 1 37 37 SER N N 37 114.000 114.000 118.872 -4.872 18032
9499 1 18 . 1 1 37 37 SER HA H 37 4.170 4.170 4.457 -0.287 18032
9500 1 18 . 1 1 37 37 SER C C 37 175.700 175.700 176.472 -0.772 18032
9501 1 18 . 1 1 37 37 SER CA C 37 60.700 60.700 61.238 -0.538 18032
9502 1 18 . 1 1 37 37 SER CB C 37 65.800 65.800 62.915 2.885 18032
9503 1 18 . 1 1 37 37 SER H H 37 8.750 8.750 8.610 0.140 18032
9504 1 18 . 1 1 38 38 LEU N N 38 123.200 123.200 121.611 1.589 18032
9505 1 18 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.232 -0.012 18032
9506 1 18 . 1 1 38 38 LEU C C 38 180.200 180.200 178.656 1.544 18032
9507 1 18 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.985 -0.185 18032
9508 1 18 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.992 0.008 18032
9509 1 18 . 1 1 38 38 LEU H H 38 8.030 8.030 8.076 -0.046 18032
9510 1 18 . 1 1 39 39 ASP N N 39 121.500 121.500 119.048 2.452 18032
9511 1 18 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.534 -0.094 18032
9512 1 18 . 1 1 39 39 ASP C C 39 179.000 179.000 178.930 0.070 18032
9513 1 18 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.218 -0.018 18032
9514 1 18 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.902 0.298 18032
9515 1 18 . 1 1 39 39 ASP H H 39 8.390 8.390 7.780 0.610 18032
9516 1 18 . 1 1 40 40 PHE N N 40 118.900 118.900 121.402 -2.502 18032
9517 1 18 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.447 -0.397 18032
9518 1 18 . 1 1 40 40 PHE C C 40 177.500 177.500 176.813 0.687 18032
9519 1 18 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.660 1.140 18032
9520 1 18 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.614 -1.214 18032
9521 1 18 . 1 1 40 40 PHE H H 40 8.640 8.640 8.073 0.567 18032
9522 1 18 . 1 1 41 41 LEU N N 41 118.800 118.800 120.841 -2.041 18032
9523 1 18 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.747 0.233 18032
9524 1 18 . 1 1 41 41 LEU C C 41 179.300 179.300 178.652 0.648 18032
9525 1 18 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.564 -0.164 18032
9526 1 18 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.364 -0.364 18032
9527 1 18 . 1 1 41 41 LEU H H 41 7.660 7.660 8.070 -0.410 18032
9528 1 18 . 1 1 42 42 ASP N N 42 119.700 119.700 119.533 0.167 18032
9529 1 18 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.566 0.024 18032
9530 1 18 . 1 1 42 42 ASP C C 42 179.800 179.800 178.948 0.852 18032
9531 1 18 . 1 1 42 42 ASP CA C 42 57.600 57.600 58.198 -0.598 18032
9532 1 18 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.535 -0.235 18032
9533 1 18 . 1 1 42 42 ASP H H 42 7.320 7.320 7.820 -0.500 18032
9534 1 18 . 1 1 43 43 ILE N N 43 122.700 122.700 120.104 2.596 18032
9535 1 18 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.673 -0.153 18032
9536 1 18 . 1 1 43 43 ILE C C 43 177.100 177.100 177.849 -0.749 18032
9537 1 18 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.939 0.261 18032
9538 1 18 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.723 0.177 18032
9539 1 18 . 1 1 43 43 ILE H H 43 8.090 8.090 7.471 0.619 18032
9540 1 18 . 1 1 44 44 ALA N N 44 122.600 122.600 122.244 0.356 18032
9541 1 18 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.899 -0.039 18032
9542 1 18 . 1 1 44 44 ALA C C 44 178.500 178.500 179.411 -0.911 18032
9543 1 18 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.544 1.157 18032
9544 1 18 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.860 0.440 18032
9545 1 18 . 1 1 44 44 ALA H H 44 8.830 8.830 7.693 1.137 18032
9546 1 18 . 1 1 45 45 PHE N N 45 117.300 117.300 119.189 -1.889 18032
9547 1 18 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.094 0.406 18032
9548 1 18 . 1 1 45 45 PHE C C 45 178.300 178.300 177.355 0.945 18032
9549 1 18 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.756 -1.156 18032
9550 1 18 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.573 0.127 18032
9551 1 18 . 1 1 45 45 PHE H H 45 8.090 8.090 8.423 -0.333 18032
9552 1 18 . 1 1 46 46 ALA N N 46 121.600 121.600 122.327 -0.727 18032
9553 1 18 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.109 0.061 18032
9554 1 18 . 1 1 46 46 ALA C C 46 181.400 181.400 179.903 1.497 18032
9555 1 18 . 1 1 46 46 ALA CA C 46 55.000 55.000 54.928 0.072 18032
9556 1 18 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.038 1.162 18032
9557 1 18 . 1 1 46 46 ALA H H 46 7.780 7.780 7.791 -0.011 18032
9558 1 18 . 1 1 47 47 ILE N N 47 122.900 122.900 119.516 3.384 18032
9559 1 18 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.720 0.060 18032
9560 1 18 . 1 1 47 47 ILE C C 47 177.000 177.000 177.637 -0.637 18032
9561 1 18 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.759 0.241 18032
9562 1 18 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.669 0.332 18032
9563 1 18 . 1 1 47 47 ILE H H 47 8.960 8.960 7.841 1.119 18032
9564 1 18 . 1 1 48 48 ASP N N 48 123.900 123.900 120.624 3.276 18032
9565 1 18 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.342 0.028 18032
9566 1 18 . 1 1 48 48 ASP C C 48 180.200 180.200 178.911 1.289 18032
9567 1 18 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.587 0.113 18032
9568 1 18 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.170 0.129 18032
9569 1 18 . 1 1 48 48 ASP H H 48 8.950 8.950 8.273 0.677 18032
9570 1 18 . 1 1 49 49 LYS N N 49 117.500 117.500 118.098 -0.598 18032
9571 1 18 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.068 -0.048 18032
9572 1 18 . 1 1 49 49 LYS C C 49 178.800 178.800 178.879 -0.079 18032
9573 1 18 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.796 -0.196 18032
9574 1 18 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.474 0.126 18032
9575 1 18 . 1 1 49 49 LYS H H 49 7.590 7.590 7.844 -0.254 18032
9576 1 18 . 1 1 50 50 ALA N N 50 121.100 121.100 122.361 -1.261 18032
9577 1 18 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.108 -0.078 18032
9578 1 18 . 1 1 50 50 ALA C C 50 179.400 179.400 179.187 0.213 18032
9579 1 18 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.481 0.119 18032
9580 1 18 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.626 0.474 18032
9581 1 18 . 1 1 50 50 ALA H H 50 8.180 8.180 7.551 0.629 18032
9582 1 18 . 1 1 51 51 PHE N N 51 111.600 111.600 115.952 -4.352 18032
9583 1 18 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.545 -0.005 18032
9584 1 18 . 1 1 51 51 PHE C C 51 176.200 176.200 176.427 -0.227 18032
9585 1 18 . 1 1 51 51 PHE CA C 51 58.400 58.400 59.138 -0.738 18032
9586 1 18 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.219 1.281 18032
9587 1 18 . 1 1 51 51 PHE H H 51 8.620 8.620 8.209 0.411 18032
9588 1 18 . 1 1 52 52 GLY N N 52 112.100 112.100 107.358 4.742 18032
9589 1 18 . 1 1 52 52 GLY C C 52 174.900 174.900 174.140 0.760 18032
9590 1 18 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.865 1.635 18032
9591 1 18 . 1 1 52 52 GLY H H 52 8.140 8.140 7.911 0.229 18032
9592 1 18 . 1 1 53 53 ILE N N 53 111.000 111.000 113.516 -2.516 18032
9593 1 18 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.548 0.122 18032
9594 1 18 . 1 1 53 53 ILE C C 53 173.500 173.500 173.802 -0.302 18032
9595 1 18 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.626 -0.026 18032
9596 1 18 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.130 2.770 18032
9597 1 18 . 1 1 53 53 ILE H H 53 7.520 7.520 7.521 -0.001 18032
9598 1 18 . 1 1 54 54 LYS N N 54 119.600 119.600 119.495 0.105 18032
9599 1 18 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.690 -0.080 18032
9600 1 18 . 1 1 54 54 LYS C C 54 175.900 175.900 175.196 0.704 18032
9601 1 18 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.763 -1.463 18032
9602 1 18 . 1 1 54 54 LYS CB C 54 33.000 33.000 34.156 -1.156 18032
9603 1 18 . 1 1 54 54 LYS H H 54 7.940 7.940 8.075 -0.135 18032
9604 1 18 . 1 1 55 55 LEU N N 55 130.800 130.800 124.773 6.027 18032
9605 1 18 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.288 -0.438 18032
9606 1 18 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.537 0.763 18032
9607 1 18 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.330 0.670 18032
9608 1 18 . 1 1 55 55 LEU H H 55 10.700 10.700 8.299 2.401 18032
9609 1 18 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.181 0.419 18032
9610 1 18 . 1 1 56 56 PRO C C 56 174.600 174.600 175.889 -1.289 18032
9611 1 18 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.885 -0.385 18032
9612 1 18 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.878 -2.378 18032
9613 1 18 . 1 1 57 57 LEU N N 57 121.300 121.300 122.153 -0.853 18032
9614 1 18 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.659 -0.249 18032
9615 1 18 . 1 1 57 57 LEU C C 57 179.100 179.100 177.810 1.290 18032
9616 1 18 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.896 0.304 18032
9617 1 18 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.634 0.466 18032
9618 1 18 . 1 1 57 57 LEU H H 57 7.490 7.490 7.735 -0.245 18032
9619 1 18 . 1 1 58 58 GLU N N 58 119.200 119.200 118.504 0.696 18032
9620 1 18 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.847 0.133 18032
9621 1 18 . 1 1 58 58 GLU C C 58 178.500 178.500 178.789 -0.289 18032
9622 1 18 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.844 0.056 18032
9623 1 18 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.837 -0.136 18032
9624 1 18 . 1 1 58 58 GLU H H 58 8.860 8.860 8.524 0.336 18032
9625 1 18 . 1 1 59 59 LYS N N 59 122.100 122.100 120.294 1.806 18032
9626 1 18 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.056 0.044 18032
9627 1 18 . 1 1 59 59 LYS C C 59 178.700 178.700 178.890 -0.190 18032
9628 1 18 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.039 -0.139 18032
9629 1 18 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.128 0.072 18032
9630 1 18 . 1 1 59 59 LYS H H 59 7.420 7.420 7.251 0.169 18032
9631 1 18 . 1 1 60 60 TRP N N 60 120.000 120.000 119.196 0.804 18032
9632 1 18 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.442 -0.242 18032
9633 1 18 . 1 1 60 60 TRP C C 60 178.300 178.300 179.340 -1.040 18032
9634 1 18 . 1 1 60 60 TRP CA C 60 57.700 57.700 58.086 -0.385 18032
9635 1 18 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.030 0.570 18032
9636 1 18 . 1 1 60 60 TRP H H 60 8.140 8.140 8.351 -0.211 18032
9637 1 18 . 1 1 61 61 THR N N 61 113.200 113.200 115.600 -2.400 18032
9638 1 18 . 1 1 61 61 THR HA H 61 3.870 3.870 4.149 -0.279 18032
9639 1 18 . 1 1 61 61 THR C C 61 176.300 176.300 177.097 -0.797 18032
9640 1 18 . 1 1 61 61 THR CA C 61 67.100 67.100 67.060 0.040 18032
9641 1 18 . 1 1 61 61 THR CB C 61 68.900 68.900 68.628 0.272 18032
9642 1 18 . 1 1 61 61 THR H H 61 8.390 8.390 8.248 0.142 18032
9643 1 18 . 1 1 62 62 GLN N N 62 122.300 122.300 120.400 1.900 18032
9644 1 18 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.192 -0.152 18032
9645 1 18 . 1 1 62 62 GLN C C 62 177.900 177.900 178.598 -0.698 18032
9646 1 18 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.463 0.537 18032
9647 1 18 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.058 0.042 18032
9648 1 18 . 1 1 62 62 GLN H H 62 7.810 7.810 7.724 0.086 18032
9649 1 18 . 1 1 63 63 GLU N N 63 119.000 119.000 120.587 -1.587 18032
9650 1 18 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.073 -0.003 18032
9651 1 18 . 1 1 63 63 GLU C C 63 180.000 180.000 179.199 0.801 18032
9652 1 18 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.484 0.716 18032
9653 1 18 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.725 0.675 18032
9654 1 18 . 1 1 63 63 GLU H H 63 8.410 8.410 8.298 0.112 18032
9655 1 18 . 1 1 64 64 VAL N N 64 119.600 119.600 119.266 0.334 18032
9656 1 18 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.016 0.104 18032
9657 1 18 . 1 1 64 64 VAL C C 64 180.600 180.600 178.833 1.767 18032
9658 1 18 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.287 -0.887 18032
9659 1 18 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.474 0.426 18032
9660 1 18 . 1 1 64 64 VAL H H 64 8.170 8.170 8.235 -0.065 18032
9661 1 18 . 1 1 65 65 ASN N N 65 121.700 121.700 118.602 3.098 18032
9662 1 18 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.558 -0.048 18032
9663 1 18 . 1 1 65 65 ASN C C 65 177.300 177.300 176.251 1.049 18032
9664 1 18 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.773 0.527 18032
9665 1 18 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.322 -0.222 18032
9666 1 18 . 1 1 65 65 ASN H H 65 8.550 8.550 8.192 0.358 18032
9667 1 18 . 1 1 66 66 ASP N N 66 118.000 118.000 118.264 -0.264 18032
9668 1 18 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.752 0.018 18032
9669 1 18 . 1 1 66 66 ASP C C 66 177.000 177.000 176.922 0.078 18032
9670 1 18 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.796 1.004 18032
9671 1 18 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.472 -0.172 18032
9672 1 18 . 1 1 66 66 ASP H H 66 8.470 8.470 7.798 0.672 18032
9673 1 18 . 1 1 67 67 GLY N N 67 108.600 108.600 107.524 1.076 18032
9674 1 18 . 1 1 67 67 GLY C C 67 174.800 174.800 175.660 -0.860 18032
9675 1 18 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.708 0.292 18032
9676 1 18 . 1 1 67 67 GLY H H 67 8.100 8.100 7.646 0.454 18032
9677 1 18 . 1 1 68 68 LYS N N 68 118.900 118.900 119.190 -0.290 18032
9678 1 18 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.132 0.178 18032
9679 1 18 . 1 1 68 68 LYS C C 68 175.100 175.100 176.570 -1.470 18032
9680 1 18 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.521 -1.121 18032
9681 1 18 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.089 0.411 18032
9682 1 18 . 1 1 68 68 LYS H H 68 8.400 8.400 8.226 0.174 18032
9683 1 18 . 1 1 69 69 ALA N N 69 120.400 120.400 119.567 0.833 18032
9684 1 18 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.697 -0.067 18032
9685 1 18 . 1 1 69 69 ALA C C 69 175.900 175.900 175.831 0.069 18032
9686 1 18 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.736 -0.236 18032
9687 1 18 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.644 2.356 18032
9688 1 18 . 1 1 69 69 ALA H H 69 7.490 7.490 7.464 0.026 18032
9689 1 18 . 1 1 70 70 THR N N 70 109.700 109.700 110.543 -0.843 18032
9690 1 18 . 1 1 70 70 THR HA H 70 4.750 4.750 4.568 0.182 18032
9691 1 18 . 1 1 70 70 THR C C 70 175.600 175.600 175.820 -0.220 18032
9692 1 18 . 1 1 70 70 THR CA C 70 59.600 59.600 60.105 -0.505 18032
9693 1 18 . 1 1 70 70 THR CB C 70 70.700 70.700 71.428 -0.728 18032
9694 1 18 . 1 1 70 70 THR H H 70 7.930 7.930 8.350 -0.420 18032
9695 1 18 . 1 1 71 71 THR N N 71 111.300 111.300 114.399 -3.099 18032
9696 1 18 . 1 1 71 71 THR HA H 71 4.110 4.110 4.098 0.012 18032
9697 1 18 . 1 1 71 71 THR C C 71 177.500 177.500 176.965 0.535 18032
9698 1 18 . 1 1 71 71 THR CA C 71 65.100 65.100 65.910 -0.810 18032
9699 1 18 . 1 1 71 71 THR CB C 71 68.900 68.900 68.488 0.412 18032
9700 1 18 . 1 1 71 71 THR H H 71 9.030 9.030 8.577 0.453 18032
9701 1 18 . 1 1 72 72 GLU N N 72 122.300 122.300 121.677 0.623 18032
9702 1 18 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.183 -0.323 18032
9703 1 18 . 1 1 72 72 GLU C C 72 177.500 177.500 179.141 -1.641 18032
9704 1 18 . 1 1 72 72 GLU CA C 72 59.900 59.900 60.393 -0.493 18032
9705 1 18 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.673 0.327 18032
9706 1 18 . 1 1 72 72 GLU H H 72 8.830 8.830 8.889 -0.059 18032
9707 1 18 . 1 1 73 73 GLN N N 73 116.900 116.900 116.925 -0.025 18032
9708 1 18 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.839 -0.209 18032
9709 1 18 . 1 1 73 73 GLN C C 73 174.000 174.000 176.821 -2.821 18032
9710 1 18 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.184 -0.184 18032
9711 1 18 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.543 0.057 18032
9712 1 18 . 1 1 73 73 GLN H H 73 7.280 7.280 7.652 -0.372 18032
9713 1 18 . 1 1 74 74 TYR N N 74 112.700 112.700 113.387 -0.687 18032
9714 1 18 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.220 -0.140 18032
9715 1 18 . 1 1 74 74 TYR C C 74 173.900 173.900 176.272 -2.372 18032
9716 1 18 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.245 -1.445 18032
9717 1 18 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.741 0.559 18032
9718 1 18 . 1 1 74 74 TYR H H 74 6.310 6.310 7.492 -1.182 18032
9719 1 18 . 1 1 75 75 PHE N N 75 108.000 108.000 116.830 -8.830 18032
9720 1 18 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.426 0.234 18032
9721 1 18 . 1 1 75 75 PHE C C 75 177.900 177.900 174.658 3.242 18032
9722 1 18 . 1 1 75 75 PHE CA C 75 57.400 57.400 59.075 -1.675 18032
9723 1 18 . 1 1 75 75 PHE CB C 75 39.700 39.700 40.051 -0.351 18032
9724 1 18 . 1 1 75 75 PHE H H 75 7.760 7.760 8.317 -0.557 18032
9725 1 18 . 1 1 76 76 VAL N N 76 120.700 120.700 120.920 -0.220 18032
9726 1 18 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.397 0.373 18032
9727 1 18 . 1 1 76 76 VAL C C 76 180.000 180.000 176.723 3.277 18032
9728 1 18 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.825 1.075 18032
9729 1 18 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.209 -1.010 18032
9730 1 18 . 1 1 76 76 VAL H H 76 7.010 7.010 7.545 -0.535 18032
9731 1 18 . 1 1 77 77 LEU N N 77 131.600 131.600 128.514 3.086 18032
9732 1 18 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.152 -0.122 18032
9733 1 18 . 1 1 77 77 LEU C C 77 179.000 179.000 179.019 -0.019 18032
9734 1 18 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.146 0.954 18032
9735 1 18 . 1 1 77 77 LEU CB C 77 41.000 41.000 40.873 0.127 18032
9736 1 18 . 1 1 77 77 LEU H H 77 8.860 8.860 8.716 0.144 18032
9737 1 18 . 1 1 78 78 LYS N N 78 116.700 116.700 119.310 -2.610 18032
9738 1 18 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.987 0.223 18032
9739 1 18 . 1 1 78 78 LYS C C 78 178.000 178.000 178.631 -0.631 18032
9740 1 18 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.126 -0.026 18032
9741 1 18 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.731 -0.631 18032
9742 1 18 . 1 1 78 78 LYS H H 78 9.540 9.540 8.342 1.198 18032
9743 1 18 . 1 1 79 79 ASN N N 79 121.500 121.500 119.772 1.728 18032
9744 1 18 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.498 0.152 18032
9745 1 18 . 1 1 79 79 ASN C C 79 176.200 176.200 177.435 -1.235 18032
9746 1 18 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.481 -0.881 18032
9747 1 18 . 1 1 79 79 ASN CB C 79 37.200 37.200 38.021 -0.821 18032
9748 1 18 . 1 1 79 79 ASN H H 79 7.340 7.340 7.895 -0.555 18032
9749 1 18 . 1 1 80 80 LEU N N 80 124.300 124.300 122.269 2.031 18032
9750 1 18 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.027 0.003 18032
9751 1 18 . 1 1 80 80 LEU C C 80 178.700 178.700 178.013 0.687 18032
9752 1 18 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.298 0.502 18032
9753 1 18 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.663 -0.863 18032
9754 1 18 . 1 1 80 80 LEU H H 80 8.260 8.260 8.558 -0.298 18032
9755 1 18 . 1 1 81 81 ALA N N 81 118.100 118.100 120.392 -2.292 18032
9756 1 18 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.909 -0.039 18032
9757 1 18 . 1 1 81 81 ALA C C 81 177.600 177.600 179.167 -1.567 18032
9758 1 18 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.989 0.212 18032
9759 1 18 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.995 -0.695 18032
9760 1 18 . 1 1 81 81 ALA H H 81 8.580 8.580 7.700 0.880 18032
9761 1 18 . 1 1 82 82 ALA N N 82 119.800 119.800 121.678 -1.878 18032
9762 1 18 . 1 1 82 82 ALA HA H 82 4.210 4.210 3.870 0.340 18032
9763 1 18 . 1 1 82 82 ALA C C 82 180.700 180.700 179.292 1.408 18032
9764 1 18 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.838 0.562 18032
9765 1 18 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.444 -0.544 18032
9766 1 18 . 1 1 82 82 ALA H H 82 7.230 7.230 7.761 -0.531 18032
9767 1 18 . 1 1 83 83 ARG N N 83 118.300 118.300 118.797 -0.497 18032
9768 1 18 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.215 0.125 18032
9769 1 18 . 1 1 83 83 ARG C C 83 180.500 180.500 179.337 1.163 18032
9770 1 18 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.761 -0.261 18032
9771 1 18 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.769 2.131 18032
9772 1 18 . 1 1 83 83 ARG H H 83 8.510 8.510 7.915 0.595 18032
9773 1 18 . 1 1 84 84 ILE N N 84 121.300 121.300 119.913 1.387 18032
9774 1 18 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.623 -0.243 18032
9775 1 18 . 1 1 84 84 ILE C C 84 177.300 177.300 177.720 -0.420 18032
9776 1 18 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.387 0.813 18032
9777 1 18 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.425 0.275 18032
9778 1 18 . 1 1 84 84 ILE H H 84 8.340 8.340 8.188 0.152 18032
9779 1 18 . 1 1 85 85 ASP N N 85 120.200 120.200 119.694 0.506 18032
9780 1 18 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.274 0.136 18032
9781 1 18 . 1 1 85 85 ASP C C 85 180.200 180.200 178.603 1.597 18032
9782 1 18 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.449 0.551 18032
9783 1 18 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.891 -1.391 18032
9784 1 18 . 1 1 85 85 ASP H H 85 8.330 8.330 7.927 0.403 18032
9785 1 18 . 1 1 86 86 GLU N N 86 121.100 121.100 119.272 1.828 18032
9786 1 18 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.121 -0.001 18032
9787 1 18 . 1 1 86 86 GLU C C 86 179.800 179.800 179.203 0.597 18032
9788 1 18 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.172 0.128 18032
9789 1 18 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.759 -0.259 18032
9790 1 18 . 1 1 86 86 GLU H H 86 8.060 8.060 8.311 -0.251 18032
9791 1 18 . 1 1 87 87 LEU N N 87 122.700 122.700 119.684 3.016 18032
9792 1 18 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.166 0.034 18032
9793 1 18 . 1 1 87 87 LEU C C 87 180.500 180.500 178.966 1.534 18032
9794 1 18 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.166 1.034 18032
9795 1 18 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.028 0.072 18032
9796 1 18 . 1 1 87 87 LEU H H 87 8.090 8.090 7.361 0.729 18032
9797 1 18 . 1 1 88 88 VAL N N 88 122.800 122.800 119.424 3.376 18032
9798 1 18 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.667 -0.127 18032
9799 1 18 . 1 1 88 88 VAL C C 88 179.200 179.200 177.824 1.376 18032
9800 1 18 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.244 0.556 18032
9801 1 18 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.610 0.690 18032
9802 1 18 . 1 1 88 88 VAL H H 88 9.030 9.030 8.069 0.961 18032
9803 1 18 . 1 1 89 89 ALA N N 89 122.900 122.900 121.749 1.151 18032
9804 1 18 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.146 0.074 18032
9805 1 18 . 1 1 89 89 ALA C C 89 180.000 180.000 179.193 0.807 18032
9806 1 18 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.982 -0.282 18032
9807 1 18 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.161 -0.161 18032
9808 1 18 . 1 1 89 89 ALA H H 89 8.170 8.170 8.081 0.089 18032
9809 1 18 . 1 1 90 90 ALA N N 90 120.100 120.100 120.394 -0.294 18032
9810 1 18 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.151 0.119 18032
9811 1 18 . 1 1 90 90 ALA C C 90 179.200 179.200 178.912 0.288 18032
9812 1 18 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.405 -0.505 18032
9813 1 18 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.436 0.064 18032
9814 1 18 . 1 1 90 90 ALA H H 90 7.820 7.820 7.770 0.050 18032
9815 1 18 . 1 1 91 91 LYS N N 91 118.900 118.900 118.729 0.171 18032
9816 1 18 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.259 -0.069 18032
9817 1 18 . 1 1 91 91 LYS C C 91 178.400 178.400 178.132 0.268 18032
9818 1 18 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.686 0.814 18032
9819 1 18 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.715 -0.315 18032
9820 1 18 . 1 1 91 91 LYS H H 91 7.660 7.660 7.735 -0.075 18032
9821 1 18 . 1 1 92 92 GLY N N 92 107.200 107.200 106.535 0.665 18032
9822 1 18 . 1 1 92 92 GLY C C 92 174.700 174.700 174.535 0.165 18032
9823 1 18 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.909 0.091 18032
9824 1 18 . 1 1 92 92 GLY H H 92 8.090 8.090 7.527 0.563 18032
9825 1 18 . 1 1 93 93 ALA N N 93 123.300 123.300 121.582 1.718 18032
9826 1 18 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.539 -0.219 18032
9827 1 18 . 1 1 93 93 ALA C C 93 178.300 178.300 176.192 2.108 18032
9828 1 18 . 1 1 93 93 ALA CA C 93 53.100 53.100 50.786 2.314 18032
9829 1 18 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.928 -1.928 18032
9830 1 18 . 1 1 93 93 ALA H H 93 7.900 7.900 7.303 0.597 18032
9831 1 18 . 1 1 94 94 LEU N N 94 119.800 119.800 115.825 3.975 18032
9832 1 18 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.090 0.200 18032
9833 1 18 . 1 1 94 94 LEU C C 94 177.900 177.900 176.113 1.787 18032
9834 1 18 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.218 0.682 18032
9835 1 18 . 1 1 94 94 LEU CB C 94 42.300 42.300 40.469 1.831 18032
9836 1 18 . 1 1 94 94 LEU H H 94 7.940 7.940 8.487 -0.547 18032
9837 1 18 . 1 1 95 95 GLU N N 95 120.100 120.100 119.121 0.979 18032
9838 1 18 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.224 -0.035 18032
9839 1 18 . 1 1 95 95 GLU C C 95 176.500 176.500 175.711 0.789 18032
9840 1 18 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.879 0.021 18032
9841 1 18 . 1 1 95 95 GLU CB C 95 30.200 30.200 28.299 1.901 18032
9842 1 18 . 1 1 95 95 GLU H H 95 8.130 8.130 8.279 -0.149 18032
9843 1 18 . 1 1 96 96 HIS N N 96 119.200 119.200 122.439 -3.239 18032
9844 1 18 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.251 0.049 18032
9845 1 18 . 1 1 96 96 HIS CB C 96 30.300 30.300 30.262 0.038 18032
9846 1 18 . 1 1 96 96 HIS H H 96 8.160 8.160 8.047 0.113 18032
9847 1 19 . 1 1 2 2 THR HA H 2 4.580 4.580 4.045 0.535 18032
9848 1 19 . 1 1 2 2 THR C C 2 174.500 174.500 173.871 0.629 18032
9849 1 19 . 1 1 2 2 THR CA C 2 61.700 61.700 62.473 -0.773 18032
9850 1 19 . 1 1 2 2 THR CB C 2 70.400 70.400 68.076 2.324 18032
9851 1 19 . 1 1 3 3 SER N N 3 120.600 120.600 114.615 5.985 18032
9852 1 19 . 1 1 3 3 SER HA H 3 4.770 4.770 4.470 0.300 18032
9853 1 19 . 1 1 3 3 SER C C 3 175.100 175.100 176.223 -1.123 18032
9854 1 19 . 1 1 3 3 SER CA C 3 58.300 58.300 58.501 -0.201 18032
9855 1 19 . 1 1 3 3 SER CB C 3 65.000 65.000 64.828 0.172 18032
9856 1 19 . 1 1 3 3 SER H H 3 9.090 9.090 7.753 1.337 18032
9857 1 19 . 1 1 4 4 THR N N 4 120.500 120.500 119.192 1.308 18032
9858 1 19 . 1 1 4 4 THR HA H 4 4.230 4.230 4.414 -0.184 18032
9859 1 19 . 1 1 4 4 THR C C 4 176.200 176.200 176.064 0.136 18032
9860 1 19 . 1 1 4 4 THR CA C 4 67.700 67.700 67.009 0.691 18032
9861 1 19 . 1 1 4 4 THR CB C 4 67.500 67.500 69.031 -1.531 18032
9862 1 19 . 1 1 4 4 THR H H 4 8.890 8.890 9.191 -0.301 18032
9863 1 19 . 1 1 5 5 PHE N N 5 121.100 121.100 120.317 0.783 18032
9864 1 19 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.285 -0.485 18032
9865 1 19 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.194 1.506 18032
9866 1 19 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.971 -0.272 18032
9867 1 19 . 1 1 5 5 PHE H H 5 9.110 9.110 8.611 0.499 18032
9868 1 19 . 1 1 6 6 ASP N N 6 119.800 119.800 119.201 0.599 18032
9869 1 19 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.184 -0.344 18032
9870 1 19 . 1 1 6 6 ASP C C 6 179.200 179.200 178.591 0.609 18032
9871 1 19 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.042 -0.142 18032
9872 1 19 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.500 0.400 18032
9873 1 19 . 1 1 6 6 ASP H H 6 8.120 8.120 7.883 0.237 18032
9874 1 19 . 1 1 7 7 ARG N N 7 119.200 119.200 119.697 -0.497 18032
9875 1 19 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.023 0.047 18032
9876 1 19 . 1 1 7 7 ARG C C 7 179.400 179.400 178.860 0.540 18032
9877 1 19 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.692 0.608 18032
9878 1 19 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.849 1.250 18032
9879 1 19 . 1 1 7 7 ARG H H 7 8.020 8.020 8.003 0.017 18032
9880 1 19 . 1 1 8 8 VAL N N 8 120.600 120.600 119.725 0.875 18032
9881 1 19 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.699 -0.189 18032
9882 1 19 . 1 1 8 8 VAL C C 8 176.800 176.800 177.733 -0.933 18032
9883 1 19 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.540 0.460 18032
9884 1 19 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.523 0.077 18032
9885 1 19 . 1 1 8 8 VAL H H 8 8.520 8.520 8.237 0.283 18032
9886 1 19 . 1 1 9 9 ALA N N 9 122.800 122.800 121.311 1.489 18032
9887 1 19 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.810 -0.140 18032
9888 1 19 . 1 1 9 9 ALA C C 9 179.000 179.000 179.488 -0.488 18032
9889 1 19 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.341 0.459 18032
9890 1 19 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.800 -0.600 18032
9891 1 19 . 1 1 9 9 ALA H H 9 8.920 8.920 8.119 0.801 18032
9892 1 19 . 1 1 10 10 THR N N 10 114.300 114.300 115.970 -1.670 18032
9893 1 19 . 1 1 10 10 THR HA H 10 3.800 3.800 3.920 -0.120 18032
9894 1 19 . 1 1 10 10 THR C C 10 175.500 175.500 176.611 -1.111 18032
9895 1 19 . 1 1 10 10 THR CA C 10 67.400 67.400 67.300 0.100 18032
9896 1 19 . 1 1 10 10 THR CB C 10 68.900 68.900 68.735 0.165 18032
9897 1 19 . 1 1 10 10 THR H H 10 7.790 7.790 7.572 0.218 18032
9898 1 19 . 1 1 11 11 ILE N N 11 122.100 122.100 121.871 0.229 18032
9899 1 19 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.643 0.237 18032
9900 1 19 . 1 1 11 11 ILE C C 11 179.700 179.700 177.893 1.807 18032
9901 1 19 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.660 -0.161 18032
9902 1 19 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.661 0.939 18032
9903 1 19 . 1 1 11 11 ILE H H 11 7.760 7.760 7.795 -0.035 18032
9904 1 19 . 1 1 12 12 ILE N N 12 123.100 123.100 119.681 3.419 18032
9905 1 19 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.651 -0.241 18032
9906 1 19 . 1 1 12 12 ILE C C 12 176.800 176.800 177.680 -0.880 18032
9907 1 19 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.338 1.662 18032
9908 1 19 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.465 0.435 18032
9909 1 19 . 1 1 12 12 ILE H H 12 8.750 8.750 8.122 0.628 18032
9910 1 19 . 1 1 13 13 ALA N N 13 122.600 122.600 122.890 -0.290 18032
9911 1 19 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.309 -0.029 18032
9912 1 19 . 1 1 13 13 ALA C C 13 180.700 180.700 179.760 0.940 18032
9913 1 19 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.124 0.576 18032
9914 1 19 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.349 0.251 18032
9915 1 19 . 1 1 13 13 ALA H H 13 8.430 8.430 7.701 0.729 18032
9916 1 19 . 1 1 14 14 GLU N N 14 114.500 114.500 116.070 -1.570 18032
9917 1 19 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.138 0.052 18032
9918 1 19 . 1 1 14 14 GLU C C 14 179.100 179.100 178.944 0.156 18032
9919 1 19 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.241 0.159 18032
9920 1 19 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.422 0.579 18032
9921 1 19 . 1 1 14 14 GLU H H 14 8.290 8.290 7.980 0.310 18032
9922 1 19 . 1 1 15 15 THR N N 15 115.500 115.500 115.047 0.453 18032
9923 1 19 . 1 1 15 15 THR HA H 15 4.080 4.080 4.199 -0.119 18032
9924 1 19 . 1 1 15 15 THR C C 15 176.200 176.200 175.944 0.256 18032
9925 1 19 . 1 1 15 15 THR CA C 15 66.500 66.500 65.098 1.402 18032
9926 1 19 . 1 1 15 15 THR CB C 15 69.400 69.400 69.460 -0.061 18032
9927 1 19 . 1 1 15 15 THR H H 15 8.390 8.390 8.261 0.129 18032
9928 1 19 . 1 1 16 16 CYS N N 16 116.000 116.000 117.775 -1.775 18032
9929 1 19 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.618 -0.048 18032
9930 1 19 . 1 1 16 16 CYS C C 16 173.700 173.700 173.562 0.138 18032
9931 1 19 . 1 1 16 16 CYS CA C 16 59.200 59.200 59.092 0.108 18032
9932 1 19 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.556 1.044 18032
9933 1 19 . 1 1 16 16 CYS H H 16 8.130 8.130 7.922 0.208 18032
9934 1 19 . 1 1 17 17 ASP N N 17 119.900 119.900 120.750 -0.850 18032
9935 1 19 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.462 -0.052 18032
9936 1 19 . 1 1 17 17 ASP C C 17 174.700 174.700 174.589 0.111 18032
9937 1 19 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.173 0.027 18032
9938 1 19 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.784 -0.884 18032
9939 1 19 . 1 1 17 17 ASP H H 17 7.740 7.740 7.872 -0.132 18032
9940 1 19 . 1 1 18 18 ILE N N 18 119.100 119.100 121.195 -2.095 18032
9941 1 19 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.585 0.005 18032
9942 1 19 . 1 1 18 18 ILE C C 18 179.400 179.400 173.858 5.542 18032
9943 1 19 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.895 0.905 18032
9944 1 19 . 1 1 18 18 ILE CB C 18 42.000 42.000 39.447 2.553 18032
9945 1 19 . 1 1 18 18 ILE H H 18 7.410 7.410 7.472 -0.062 18032
9946 1 19 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.462 -0.092 18032
9947 1 19 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.203 -0.103 18032
9948 1 19 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.192 -0.092 18032
9949 1 19 . 1 1 20 20 ARG N N 20 129.100 129.100 126.726 2.374 18032
9950 1 19 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.930 -0.070 18032
9951 1 19 . 1 1 20 20 ARG C C 20 178.500 178.500 178.255 0.245 18032
9952 1 19 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.336 -0.536 18032
9953 1 19 . 1 1 20 20 ARG CB C 20 29.500 29.500 30.082 -0.582 18032
9954 1 19 . 1 1 20 20 ARG H H 20 9.150 9.150 8.799 0.351 18032
9955 1 19 . 1 1 21 21 GLU N N 21 117.300 117.300 116.077 1.223 18032
9956 1 19 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.257 0.043 18032
9957 1 19 . 1 1 21 21 GLU C C 21 177.200 177.200 177.016 0.184 18032
9958 1 19 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.411 0.188 18032
9959 1 19 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.026 -0.526 18032
9960 1 19 . 1 1 21 21 GLU H H 21 9.820 9.820 8.760 1.060 18032
9961 1 19 . 1 1 22 22 THR N N 22 110.200 110.200 110.789 -0.589 18032
9962 1 19 . 1 1 22 22 THR HA H 22 4.340 4.340 4.394 -0.054 18032
9963 1 19 . 1 1 22 22 THR C C 22 173.000 173.000 174.400 -1.400 18032
9964 1 19 . 1 1 22 22 THR CA C 22 62.300 62.300 61.813 0.487 18032
9965 1 19 . 1 1 22 22 THR CB C 22 70.000 70.000 69.322 0.678 18032
9966 1 19 . 1 1 22 22 THR H H 22 7.780 7.780 7.666 0.114 18032
9967 1 19 . 1 1 23 23 ILE N N 23 122.600 122.600 125.352 -2.752 18032
9968 1 19 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.259 -0.259 18032
9969 1 19 . 1 1 23 23 ILE C C 23 174.700 174.700 175.823 -1.123 18032
9970 1 19 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.181 1.419 18032
9971 1 19 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.223 1.277 18032
9972 1 19 . 1 1 23 23 ILE H H 23 7.590 7.590 7.341 0.249 18032
9973 1 19 . 1 1 24 24 THR N N 24 118.600 118.600 120.158 -1.558 18032
9974 1 19 . 1 1 24 24 THR HA H 24 5.290 5.290 4.947 0.343 18032
9975 1 19 . 1 1 24 24 THR CA C 24 59.000 59.000 58.981 0.019 18032
9976 1 19 . 1 1 24 24 THR CB C 24 69.800 69.800 69.192 0.608 18032
9977 1 19 . 1 1 24 24 THR H H 24 8.580 8.580 7.934 0.646 18032
9978 1 19 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.907 -0.137 18032
9979 1 19 . 1 1 25 25 PRO C C 25 176.200 176.200 177.439 -1.239 18032
9980 1 19 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.625 0.275 18032
9981 1 19 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.324 0.476 18032
9982 1 19 . 1 1 26 26 GLU N N 26 110.900 110.900 112.981 -2.081 18032
9983 1 19 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.191 -0.021 18032
9984 1 19 . 1 1 26 26 GLU C C 26 176.900 176.900 176.317 0.583 18032
9985 1 19 . 1 1 26 26 GLU CA C 26 56.300 56.300 56.338 -0.038 18032
9986 1 19 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.145 0.354 18032
9987 1 19 . 1 1 26 26 GLU H H 26 7.380 7.380 8.477 -1.097 18032
9988 1 19 . 1 1 27 27 SER N N 27 118.100 118.100 117.676 0.424 18032
9989 1 19 . 1 1 27 27 SER HA H 27 4.300 4.300 4.526 -0.226 18032
9990 1 19 . 1 1 27 27 SER C C 27 172.100 172.100 173.566 -1.466 18032
9991 1 19 . 1 1 27 27 SER CA C 27 61.000 61.000 59.311 1.689 18032
9992 1 19 . 1 1 27 27 SER CB C 27 64.200 64.200 64.131 0.069 18032
9993 1 19 . 1 1 27 27 SER H H 27 8.040 8.040 7.447 0.593 18032
9994 1 19 . 1 1 28 28 HIS N N 28 128.200 128.200 125.820 2.380 18032
9995 1 19 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.792 -0.052 18032
9996 1 19 . 1 1 28 28 HIS C C 28 178.200 178.200 175.826 2.374 18032
9997 1 19 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.270 0.030 18032
9998 1 19 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.554 1.046 18032
9999 1 19 . 1 1 28 28 HIS H H 28 10.680 10.680 8.942 1.738 18032
10000 1 19 . 1 1 29 29 ALA N N 29 130.100 130.100 131.473 -1.373 18032
10001 1 19 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.046 -0.096 18032
10002 1 19 . 1 1 29 29 ALA C C 29 175.700 175.700 178.276 -2.576 18032
10003 1 19 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.690 0.210 18032
10004 1 19 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.936 -0.136 18032
10005 1 19 . 1 1 29 29 ALA H H 29 9.270 9.270 8.693 0.577 18032
10006 1 19 . 1 1 30 30 ILE N N 30 113.300 113.300 115.759 -2.459 18032
10007 1 19 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.463 -0.253 18032
10008 1 19 . 1 1 30 30 ILE C C 30 177.200 177.200 177.739 -0.539 18032
10009 1 19 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.572 -0.672 18032
10010 1 19 . 1 1 30 30 ILE CB C 30 39.100 39.100 39.067 0.033 18032
10011 1 19 . 1 1 30 30 ILE H H 30 8.540 8.540 8.082 0.458 18032
10012 1 19 . 1 1 31 31 ASP N N 31 120.600 120.600 119.456 1.144 18032
10013 1 19 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.401 -0.221 18032
10014 1 19 . 1 1 31 31 ASP CA C 31 57.500 57.500 57.014 0.486 18032
10015 1 19 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.143 -1.143 18032
10016 1 19 . 1 1 31 31 ASP H H 31 8.480 8.480 8.315 0.165 18032
10017 1 19 . 1 1 32 32 ASP N N 32 114.200 114.200 118.732 -4.532 18032
10018 1 19 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.673 0.387 18032
10019 1 19 . 1 1 32 32 ASP C C 32 177.500 177.500 178.041 -0.541 18032
10020 1 19 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.412 0.588 18032
10021 1 19 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.151 0.049 18032
10022 1 19 . 1 1 32 32 ASP H H 32 8.450 8.450 7.997 0.453 18032
10023 1 19 . 1 1 33 33 LEU N N 33 114.000 114.000 118.181 -4.181 18032
10024 1 19 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.425 0.045 18032
10025 1 19 . 1 1 33 33 LEU C C 33 177.400 177.400 177.040 0.360 18032
10026 1 19 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.353 -0.453 18032
10027 1 19 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.924 -1.724 18032
10028 1 19 . 1 1 33 33 LEU H H 33 7.230 7.230 8.011 -0.781 18032
10029 1 19 . 1 1 34 34 GLY N N 34 107.000 107.000 106.554 0.446 18032
10030 1 19 . 1 1 34 34 GLY C C 34 174.500 174.500 174.561 -0.061 18032
10031 1 19 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.215 1.685 18032
10032 1 19 . 1 1 34 34 GLY H H 34 7.330 7.330 7.660 -0.330 18032
10033 1 19 . 1 1 35 35 ILE N N 35 120.700 120.700 121.447 -0.747 18032
10034 1 19 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.205 -0.095 18032
10035 1 19 . 1 1 35 35 ILE C C 35 175.300 175.300 175.098 0.202 18032
10036 1 19 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.472 1.528 18032
10037 1 19 . 1 1 35 35 ILE CB C 35 37.900 37.900 38.729 -0.829 18032
10038 1 19 . 1 1 35 35 ILE H H 35 7.820 7.820 7.916 -0.096 18032
10039 1 19 . 1 1 36 36 ASP N N 36 126.800 126.800 127.838 -1.038 18032
10040 1 19 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.513 0.327 18032
10041 1 19 . 1 1 36 36 ASP C C 36 177.100 177.100 177.265 -0.165 18032
10042 1 19 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.305 -1.705 18032
10043 1 19 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.575 -0.075 18032
10044 1 19 . 1 1 36 36 ASP H H 36 8.780 8.780 8.447 0.333 18032
10045 1 19 . 1 1 37 37 SER N N 37 114.000 114.000 119.782 -5.782 18032
10046 1 19 . 1 1 37 37 SER HA H 37 4.170 4.170 4.145 0.025 18032
10047 1 19 . 1 1 37 37 SER C C 37 175.700 175.700 176.465 -0.765 18032
10048 1 19 . 1 1 37 37 SER CA C 37 60.700 60.700 60.960 -0.260 18032
10049 1 19 . 1 1 37 37 SER CB C 37 65.800 65.800 62.855 2.946 18032
10050 1 19 . 1 1 37 37 SER H H 37 8.750 8.750 8.525 0.225 18032
10051 1 19 . 1 1 38 38 LEU N N 38 123.200 123.200 120.744 2.456 18032
10052 1 19 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.128 0.092 18032
10053 1 19 . 1 1 38 38 LEU C C 38 180.200 180.200 178.750 1.450 18032
10054 1 19 . 1 1 38 38 LEU CA C 38 57.800 57.800 58.064 -0.264 18032
10055 1 19 . 1 1 38 38 LEU CB C 38 41.000 41.000 40.873 0.127 18032
10056 1 19 . 1 1 38 38 LEU H H 38 8.030 8.030 7.951 0.079 18032
10057 1 19 . 1 1 39 39 ASP N N 39 121.500 121.500 119.338 2.162 18032
10058 1 19 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.622 -0.182 18032
10059 1 19 . 1 1 39 39 ASP C C 39 179.000 179.000 179.006 -0.006 18032
10060 1 19 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.758 -0.558 18032
10061 1 19 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.553 0.646 18032
10062 1 19 . 1 1 39 39 ASP H H 39 8.390 8.390 7.687 0.703 18032
10063 1 19 . 1 1 40 40 PHE N N 40 118.900 118.900 121.398 -2.498 18032
10064 1 19 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.191 -0.141 18032
10065 1 19 . 1 1 40 40 PHE C C 40 177.500 177.500 176.639 0.861 18032
10066 1 19 . 1 1 40 40 PHE CA C 40 61.800 61.800 61.213 0.587 18032
10067 1 19 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.217 -0.817 18032
10068 1 19 . 1 1 40 40 PHE H H 40 8.640 8.640 8.081 0.559 18032
10069 1 19 . 1 1 41 41 LEU N N 41 118.800 118.800 119.899 -1.099 18032
10070 1 19 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.667 0.313 18032
10071 1 19 . 1 1 41 41 LEU C C 41 179.300 179.300 178.826 0.474 18032
10072 1 19 . 1 1 41 41 LEU CA C 41 58.400 58.400 57.941 0.459 18032
10073 1 19 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.221 -0.221 18032
10074 1 19 . 1 1 41 41 LEU H H 41 7.660 7.660 8.106 -0.446 18032
10075 1 19 . 1 1 42 42 ASP N N 42 119.700 119.700 120.300 -0.600 18032
10076 1 19 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.471 0.119 18032
10077 1 19 . 1 1 42 42 ASP C C 42 179.800 179.800 178.986 0.814 18032
10078 1 19 . 1 1 42 42 ASP CA C 42 57.600 57.600 58.410 -0.810 18032
10079 1 19 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.604 -0.304 18032
10080 1 19 . 1 1 42 42 ASP H H 42 7.320 7.320 7.816 -0.496 18032
10081 1 19 . 1 1 43 43 ILE N N 43 122.700 122.700 119.906 2.794 18032
10082 1 19 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.758 -0.238 18032
10083 1 19 . 1 1 43 43 ILE C C 43 177.100 177.100 177.799 -0.699 18032
10084 1 19 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.836 0.364 18032
10085 1 19 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.925 -0.024 18032
10086 1 19 . 1 1 43 43 ILE H H 43 8.090 8.090 7.728 0.362 18032
10087 1 19 . 1 1 44 44 ALA N N 44 122.600 122.600 122.260 0.340 18032
10088 1 19 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.979 -0.119 18032
10089 1 19 . 1 1 44 44 ALA C C 44 178.500 178.500 179.619 -1.119 18032
10090 1 19 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.541 1.159 18032
10091 1 19 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.693 0.607 18032
10092 1 19 . 1 1 44 44 ALA H H 44 8.830 8.830 7.623 1.207 18032
10093 1 19 . 1 1 45 45 PHE N N 45 117.300 117.300 118.780 -1.480 18032
10094 1 19 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.148 0.352 18032
10095 1 19 . 1 1 45 45 PHE C C 45 178.300 178.300 177.385 0.915 18032
10096 1 19 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.121 -0.521 18032
10097 1 19 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.635 0.065 18032
10098 1 19 . 1 1 45 45 PHE H H 45 8.090 8.090 8.347 -0.257 18032
10099 1 19 . 1 1 46 46 ALA N N 46 121.600 121.600 123.393 -1.793 18032
10100 1 19 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.088 0.082 18032
10101 1 19 . 1 1 46 46 ALA C C 46 181.400 181.400 179.784 1.616 18032
10102 1 19 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.167 -0.167 18032
10103 1 19 . 1 1 46 46 ALA CB C 46 19.200 19.200 17.990 1.210 18032
10104 1 19 . 1 1 46 46 ALA H H 46 7.780 7.780 7.802 -0.022 18032
10105 1 19 . 1 1 47 47 ILE N N 47 122.900 122.900 118.786 4.114 18032
10106 1 19 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.822 -0.042 18032
10107 1 19 . 1 1 47 47 ILE C C 47 177.000 177.000 177.403 -0.403 18032
10108 1 19 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.707 0.293 18032
10109 1 19 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.646 0.354 18032
10110 1 19 . 1 1 47 47 ILE H H 47 8.960 8.960 8.215 0.745 18032
10111 1 19 . 1 1 48 48 ASP N N 48 123.900 123.900 120.466 3.434 18032
10112 1 19 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.211 0.159 18032
10113 1 19 . 1 1 48 48 ASP C C 48 180.200 180.200 178.607 1.593 18032
10114 1 19 . 1 1 48 48 ASP CA C 48 57.700 57.700 58.089 -0.389 18032
10115 1 19 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.834 -0.534 18032
10116 1 19 . 1 1 48 48 ASP H H 48 8.950 8.950 7.978 0.972 18032
10117 1 19 . 1 1 49 49 LYS N N 49 117.500 117.500 118.433 -0.933 18032
10118 1 19 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.083 -0.063 18032
10119 1 19 . 1 1 49 49 LYS C C 49 178.800 178.800 179.725 -0.925 18032
10120 1 19 . 1 1 49 49 LYS CA C 49 58.600 58.600 59.186 -0.586 18032
10121 1 19 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.448 0.152 18032
10122 1 19 . 1 1 49 49 LYS H H 49 7.590 7.590 7.965 -0.375 18032
10123 1 19 . 1 1 50 50 ALA N N 50 121.100 121.100 122.962 -1.862 18032
10124 1 19 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.162 -0.132 18032
10125 1 19 . 1 1 50 50 ALA C C 50 179.400 179.400 180.099 -0.699 18032
10126 1 19 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.699 -0.099 18032
10127 1 19 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.471 0.629 18032
10128 1 19 . 1 1 50 50 ALA H H 50 8.180 8.180 7.716 0.464 18032
10129 1 19 . 1 1 51 51 PHE N N 51 111.600 111.600 114.915 -3.315 18032
10130 1 19 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.377 0.163 18032
10131 1 19 . 1 1 51 51 PHE C C 51 176.200 176.200 175.811 0.389 18032
10132 1 19 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.411 -0.011 18032
10133 1 19 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.080 1.420 18032
10134 1 19 . 1 1 51 51 PHE H H 51 8.620 8.620 8.328 0.292 18032
10135 1 19 . 1 1 52 52 GLY N N 52 112.100 112.100 108.270 3.830 18032
10136 1 19 . 1 1 52 52 GLY C C 52 174.900 174.900 174.675 0.225 18032
10137 1 19 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.828 1.672 18032
10138 1 19 . 1 1 52 52 GLY H H 52 8.140 8.140 7.651 0.489 18032
10139 1 19 . 1 1 53 53 ILE N N 53 111.000 111.000 113.058 -2.058 18032
10140 1 19 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.563 0.107 18032
10141 1 19 . 1 1 53 53 ILE C C 53 173.500 173.500 174.424 -0.924 18032
10142 1 19 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.670 -0.070 18032
10143 1 19 . 1 1 53 53 ILE CB C 53 42.900 42.900 41.077 1.823 18032
10144 1 19 . 1 1 53 53 ILE H H 53 7.520 7.520 7.702 -0.182 18032
10145 1 19 . 1 1 54 54 LYS N N 54 119.600 119.600 120.680 -1.080 18032
10146 1 19 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.815 -0.205 18032
10147 1 19 . 1 1 54 54 LYS C C 54 175.900 175.900 175.543 0.357 18032
10148 1 19 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.501 -1.201 18032
10149 1 19 . 1 1 54 54 LYS CB C 54 33.000 33.000 32.668 0.332 18032
10150 1 19 . 1 1 54 54 LYS H H 54 7.940 7.940 8.311 -0.371 18032
10151 1 19 . 1 1 55 55 LEU N N 55 130.800 130.800 126.086 4.714 18032
10152 1 19 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.387 -0.537 18032
10153 1 19 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.191 1.109 18032
10154 1 19 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.462 0.538 18032
10155 1 19 . 1 1 55 55 LEU H H 55 10.700 10.700 8.202 2.498 18032
10156 1 19 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.235 0.365 18032
10157 1 19 . 1 1 56 56 PRO C C 56 174.600 174.600 176.333 -1.733 18032
10158 1 19 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.078 -0.578 18032
10159 1 19 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.468 -2.968 18032
10160 1 19 . 1 1 57 57 LEU N N 57 121.300 121.300 123.468 -2.168 18032
10161 1 19 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.612 -0.202 18032
10162 1 19 . 1 1 57 57 LEU C C 57 179.100 179.100 178.406 0.694 18032
10163 1 19 . 1 1 57 57 LEU CA C 57 58.200 58.200 58.051 0.149 18032
10164 1 19 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.026 1.073 18032
10165 1 19 . 1 1 57 57 LEU H H 57 7.490 7.490 7.621 -0.131 18032
10166 1 19 . 1 1 58 58 GLU N N 58 119.200 119.200 119.119 0.081 18032
10167 1 19 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.001 -0.021 18032
10168 1 19 . 1 1 58 58 GLU C C 58 178.500 178.500 178.827 -0.327 18032
10169 1 19 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.852 0.048 18032
10170 1 19 . 1 1 58 58 GLU CB C 58 28.700 28.700 29.172 -0.472 18032
10171 1 19 . 1 1 58 58 GLU H H 58 8.860 8.860 8.480 0.380 18032
10172 1 19 . 1 1 59 59 LYS N N 59 122.100 122.100 119.705 2.395 18032
10173 1 19 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.087 0.013 18032
10174 1 19 . 1 1 59 59 LYS C C 59 178.700 178.700 179.131 -0.431 18032
10175 1 19 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.323 -0.423 18032
10176 1 19 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.055 0.145 18032
10177 1 19 . 1 1 59 59 LYS H H 59 7.420 7.420 7.993 -0.573 18032
10178 1 19 . 1 1 60 60 TRP N N 60 120.000 120.000 119.080 0.920 18032
10179 1 19 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.411 -0.211 18032
10180 1 19 . 1 1 60 60 TRP C C 60 178.300 178.300 179.453 -1.153 18032
10181 1 19 . 1 1 60 60 TRP CA C 60 57.700 57.700 58.059 -0.359 18032
10182 1 19 . 1 1 60 60 TRP CB C 60 28.600 28.600 28.112 0.488 18032
10183 1 19 . 1 1 60 60 TRP H H 60 8.140 8.140 8.203 -0.063 18032
10184 1 19 . 1 1 61 61 THR N N 61 113.200 113.200 116.178 -2.978 18032
10185 1 19 . 1 1 61 61 THR HA H 61 3.870 3.870 4.075 -0.205 18032
10186 1 19 . 1 1 61 61 THR C C 61 176.300 176.300 176.555 -0.255 18032
10187 1 19 . 1 1 61 61 THR CA C 61 67.100 67.100 67.325 -0.225 18032
10188 1 19 . 1 1 61 61 THR CB C 61 68.900 68.900 68.840 0.060 18032
10189 1 19 . 1 1 61 61 THR H H 61 8.390 8.390 8.354 0.036 18032
10190 1 19 . 1 1 62 62 GLN N N 62 122.300 122.300 120.724 1.576 18032
10191 1 19 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.126 -0.086 18032
10192 1 19 . 1 1 62 62 GLN C C 62 177.900 177.900 178.512 -0.612 18032
10193 1 19 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.873 0.127 18032
10194 1 19 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.178 -0.078 18032
10195 1 19 . 1 1 62 62 GLN H H 62 7.810 7.810 7.946 -0.136 18032
10196 1 19 . 1 1 63 63 GLU N N 63 119.000 119.000 121.064 -2.064 18032
10197 1 19 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.120 -0.050 18032
10198 1 19 . 1 1 63 63 GLU C C 63 180.000 180.000 179.599 0.401 18032
10199 1 19 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.141 1.059 18032
10200 1 19 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.652 0.748 18032
10201 1 19 . 1 1 63 63 GLU H H 63 8.410 8.410 8.041 0.369 18032
10202 1 19 . 1 1 64 64 VAL N N 64 119.600 119.600 121.345 -1.745 18032
10203 1 19 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.913 0.207 18032
10204 1 19 . 1 1 64 64 VAL C C 64 180.600 180.600 178.575 2.025 18032
10205 1 19 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.400 -1.000 18032
10206 1 19 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.810 0.090 18032
10207 1 19 . 1 1 64 64 VAL H H 64 8.170 8.170 7.886 0.284 18032
10208 1 19 . 1 1 65 65 ASN N N 65 121.700 121.700 118.092 3.608 18032
10209 1 19 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.548 -0.038 18032
10210 1 19 . 1 1 65 65 ASN C C 65 177.300 177.300 176.485 0.815 18032
10211 1 19 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.991 0.309 18032
10212 1 19 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.391 -0.291 18032
10213 1 19 . 1 1 65 65 ASN H H 65 8.550 8.550 8.135 0.415 18032
10214 1 19 . 1 1 66 66 ASP N N 66 118.000 118.000 117.840 0.160 18032
10215 1 19 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.748 0.022 18032
10216 1 19 . 1 1 66 66 ASP C C 66 177.000 177.000 176.929 0.071 18032
10217 1 19 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.710 1.090 18032
10218 1 19 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.363 -0.063 18032
10219 1 19 . 1 1 66 66 ASP H H 66 8.470 8.470 7.830 0.640 18032
10220 1 19 . 1 1 67 67 GLY N N 67 108.600 108.600 107.421 1.179 18032
10221 1 19 . 1 1 67 67 GLY C C 67 174.800 174.800 175.672 -0.872 18032
10222 1 19 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.758 0.242 18032
10223 1 19 . 1 1 67 67 GLY H H 67 8.100 8.100 7.717 0.383 18032
10224 1 19 . 1 1 68 68 LYS N N 68 118.900 118.900 119.308 -0.408 18032
10225 1 19 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.103 0.207 18032
10226 1 19 . 1 1 68 68 LYS C C 68 175.100 175.100 176.615 -1.515 18032
10227 1 19 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.497 -1.097 18032
10228 1 19 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.077 0.423 18032
10229 1 19 . 1 1 68 68 LYS H H 68 8.400 8.400 8.099 0.301 18032
10230 1 19 . 1 1 69 69 ALA N N 69 120.400 120.400 119.685 0.715 18032
10231 1 19 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.660 -0.030 18032
10232 1 19 . 1 1 69 69 ALA C C 69 175.900 175.900 175.889 0.011 18032
10233 1 19 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.403 0.097 18032
10234 1 19 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.841 2.159 18032
10235 1 19 . 1 1 69 69 ALA H H 69 7.490 7.490 7.515 -0.025 18032
10236 1 19 . 1 1 70 70 THR N N 70 109.700 109.700 110.116 -0.416 18032
10237 1 19 . 1 1 70 70 THR HA H 70 4.750 4.750 4.470 0.280 18032
10238 1 19 . 1 1 70 70 THR C C 70 175.600 175.600 176.055 -0.455 18032
10239 1 19 . 1 1 70 70 THR CA C 70 59.600 59.600 60.670 -1.070 18032
10240 1 19 . 1 1 70 70 THR CB C 70 70.700 70.700 70.751 -0.051 18032
10241 1 19 . 1 1 70 70 THR H H 70 7.930 7.930 8.240 -0.310 18032
10242 1 19 . 1 1 71 71 THR N N 71 111.300 111.300 113.739 -2.439 18032
10243 1 19 . 1 1 71 71 THR HA H 71 4.110 4.110 3.785 0.325 18032
10244 1 19 . 1 1 71 71 THR C C 71 177.500 177.500 176.409 1.091 18032
10245 1 19 . 1 1 71 71 THR CA C 71 65.100 65.100 65.704 -0.604 18032
10246 1 19 . 1 1 71 71 THR CB C 71 68.900 68.900 68.720 0.180 18032
10247 1 19 . 1 1 71 71 THR H H 71 9.030 9.030 8.408 0.622 18032
10248 1 19 . 1 1 72 72 GLU N N 72 122.300 122.300 121.545 0.755 18032
10249 1 19 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.086 -0.226 18032
10250 1 19 . 1 1 72 72 GLU C C 72 177.500 177.500 178.951 -1.451 18032
10251 1 19 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.122 0.778 18032
10252 1 19 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.006 0.994 18032
10253 1 19 . 1 1 72 72 GLU H H 72 8.830 8.830 8.987 -0.157 18032
10254 1 19 . 1 1 73 73 GLN N N 73 116.900 116.900 118.410 -1.510 18032
10255 1 19 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.761 -0.131 18032
10256 1 19 . 1 1 73 73 GLN C C 73 174.000 174.000 176.647 -2.647 18032
10257 1 19 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.040 -0.040 18032
10258 1 19 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.433 0.167 18032
10259 1 19 . 1 1 73 73 GLN H H 73 7.280 7.280 7.573 -0.293 18032
10260 1 19 . 1 1 74 74 TYR N N 74 112.700 112.700 113.304 -0.604 18032
10261 1 19 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.183 -0.103 18032
10262 1 19 . 1 1 74 74 TYR C C 74 173.900 173.900 176.465 -2.565 18032
10263 1 19 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.001 -1.201 18032
10264 1 19 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.673 0.627 18032
10265 1 19 . 1 1 74 74 TYR H H 74 6.310 6.310 7.166 -0.856 18032
10266 1 19 . 1 1 75 75 PHE N N 75 108.000 108.000 116.133 -8.133 18032
10267 1 19 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.254 0.406 18032
10268 1 19 . 1 1 75 75 PHE C C 75 177.900 177.900 174.990 2.910 18032
10269 1 19 . 1 1 75 75 PHE CA C 75 57.400 57.400 56.975 0.425 18032
10270 1 19 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.717 0.983 18032
10271 1 19 . 1 1 75 75 PHE H H 75 7.760 7.760 7.614 0.146 18032
10272 1 19 . 1 1 76 76 VAL N N 76 120.700 120.700 120.483 0.217 18032
10273 1 19 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.344 0.426 18032
10274 1 19 . 1 1 76 76 VAL C C 76 180.000 180.000 176.771 3.229 18032
10275 1 19 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.853 1.047 18032
10276 1 19 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.423 -1.223 18032
10277 1 19 . 1 1 76 76 VAL H H 76 7.010 7.010 7.385 -0.375 18032
10278 1 19 . 1 1 77 77 LEU N N 77 131.600 131.600 128.035 3.565 18032
10279 1 19 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.216 -0.186 18032
10280 1 19 . 1 1 77 77 LEU C C 77 179.000 179.000 179.047 -0.047 18032
10281 1 19 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.143 0.957 18032
10282 1 19 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.036 -0.036 18032
10283 1 19 . 1 1 77 77 LEU H H 77 8.860 8.860 8.912 -0.052 18032
10284 1 19 . 1 1 78 78 LYS N N 78 116.700 116.700 119.345 -2.645 18032
10285 1 19 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.998 0.212 18032
10286 1 19 . 1 1 78 78 LYS C C 78 178.000 178.000 178.722 -0.722 18032
10287 1 19 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.052 0.048 18032
10288 1 19 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.678 -0.578 18032
10289 1 19 . 1 1 78 78 LYS H H 78 9.540 9.540 8.384 1.156 18032
10290 1 19 . 1 1 79 79 ASN N N 79 121.500 121.500 119.667 1.833 18032
10291 1 19 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.457 0.193 18032
10292 1 19 . 1 1 79 79 ASN C C 79 176.200 176.200 177.469 -1.269 18032
10293 1 19 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.551 -0.951 18032
10294 1 19 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.916 -0.716 18032
10295 1 19 . 1 1 79 79 ASN H H 79 7.340 7.340 7.772 -0.432 18032
10296 1 19 . 1 1 80 80 LEU N N 80 124.300 124.300 121.972 2.328 18032
10297 1 19 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.140 -0.110 18032
10298 1 19 . 1 1 80 80 LEU C C 80 178.700 178.700 178.060 0.640 18032
10299 1 19 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.295 0.505 18032
10300 1 19 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.888 -1.088 18032
10301 1 19 . 1 1 80 80 LEU H H 80 8.260 8.260 8.537 -0.277 18032
10302 1 19 . 1 1 81 81 ALA N N 81 118.100 118.100 119.751 -1.651 18032
10303 1 19 . 1 1 81 81 ALA HA H 81 3.870 3.870 4.036 -0.166 18032
10304 1 19 . 1 1 81 81 ALA C C 81 177.600 177.600 179.006 -1.406 18032
10305 1 19 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.525 0.675 18032
10306 1 19 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.155 -0.855 18032
10307 1 19 . 1 1 81 81 ALA H H 81 8.580 8.580 7.829 0.751 18032
10308 1 19 . 1 1 82 82 ALA N N 82 119.800 119.800 121.822 -2.022 18032
10309 1 19 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.132 0.078 18032
10310 1 19 . 1 1 82 82 ALA C C 82 180.700 180.700 179.729 0.971 18032
10311 1 19 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.827 0.573 18032
10312 1 19 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.334 -0.433 18032
10313 1 19 . 1 1 82 82 ALA H H 82 7.230 7.230 7.657 -0.427 18032
10314 1 19 . 1 1 83 83 ARG N N 83 118.300 118.300 118.560 -0.260 18032
10315 1 19 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.155 0.185 18032
10316 1 19 . 1 1 83 83 ARG C C 83 180.500 180.500 179.022 1.478 18032
10317 1 19 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.640 -0.140 18032
10318 1 19 . 1 1 83 83 ARG CB C 83 31.900 31.900 30.059 1.841 18032
10319 1 19 . 1 1 83 83 ARG H H 83 8.510 8.510 7.796 0.714 18032
10320 1 19 . 1 1 84 84 ILE N N 84 121.300 121.300 120.433 0.867 18032
10321 1 19 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.645 -0.265 18032
10322 1 19 . 1 1 84 84 ILE C C 84 177.300 177.300 177.568 -0.268 18032
10323 1 19 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.355 0.845 18032
10324 1 19 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.367 0.333 18032
10325 1 19 . 1 1 84 84 ILE H H 84 8.340 8.340 8.242 0.098 18032
10326 1 19 . 1 1 85 85 ASP N N 85 120.200 120.200 120.531 -0.331 18032
10327 1 19 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.259 0.151 18032
10328 1 19 . 1 1 85 85 ASP C C 85 180.200 180.200 178.601 1.599 18032
10329 1 19 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.655 0.345 18032
10330 1 19 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.833 -1.333 18032
10331 1 19 . 1 1 85 85 ASP H H 85 8.330 8.330 7.852 0.478 18032
10332 1 19 . 1 1 86 86 GLU N N 86 121.100 121.100 120.069 1.031 18032
10333 1 19 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.118 0.002 18032
10334 1 19 . 1 1 86 86 GLU C C 86 179.800 179.800 179.281 0.519 18032
10335 1 19 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.294 0.006 18032
10336 1 19 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.651 -0.151 18032
10337 1 19 . 1 1 86 86 GLU H H 86 8.060 8.060 8.001 0.059 18032
10338 1 19 . 1 1 87 87 LEU N N 87 122.700 122.700 118.950 3.750 18032
10339 1 19 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.218 -0.018 18032
10340 1 19 . 1 1 87 87 LEU C C 87 180.500 180.500 179.598 0.902 18032
10341 1 19 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.099 1.101 18032
10342 1 19 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.265 -0.165 18032
10343 1 19 . 1 1 87 87 LEU H H 87 8.090 8.090 7.638 0.452 18032
10344 1 19 . 1 1 88 88 VAL N N 88 122.800 122.800 119.112 3.688 18032
10345 1 19 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.757 -0.217 18032
10346 1 19 . 1 1 88 88 VAL C C 88 179.200 179.200 177.701 1.499 18032
10347 1 19 . 1 1 88 88 VAL CA C 88 66.800 66.800 65.828 0.973 18032
10348 1 19 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.636 0.664 18032
10349 1 19 . 1 1 88 88 VAL H H 88 9.030 9.030 8.030 1.000 18032
10350 1 19 . 1 1 89 89 ALA N N 89 122.900 122.900 122.638 0.262 18032
10351 1 19 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.160 0.060 18032
10352 1 19 . 1 1 89 89 ALA C C 89 180.000 180.000 179.155 0.845 18032
10353 1 19 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.026 -0.326 18032
10354 1 19 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.161 -0.161 18032
10355 1 19 . 1 1 89 89 ALA H H 89 8.170 8.170 8.234 -0.064 18032
10356 1 19 . 1 1 90 90 ALA N N 90 120.100 120.100 120.455 -0.355 18032
10357 1 19 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.133 0.137 18032
10358 1 19 . 1 1 90 90 ALA C C 90 179.200 179.200 178.844 0.356 18032
10359 1 19 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.386 -0.486 18032
10360 1 19 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.467 0.033 18032
10361 1 19 . 1 1 90 90 ALA H H 90 7.820 7.820 7.949 -0.129 18032
10362 1 19 . 1 1 91 91 LYS N N 91 118.900 118.900 119.196 -0.296 18032
10363 1 19 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.298 -0.108 18032
10364 1 19 . 1 1 91 91 LYS C C 91 178.400 178.400 178.945 -0.545 18032
10365 1 19 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.647 0.853 18032
10366 1 19 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.864 -0.464 18032
10367 1 19 . 1 1 91 91 LYS H H 91 7.660 7.660 7.786 -0.126 18032
10368 1 19 . 1 1 92 92 GLY N N 92 107.200 107.200 107.339 -0.139 18032
10369 1 19 . 1 1 92 92 GLY C C 92 174.700 174.700 174.752 -0.052 18032
10370 1 19 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.959 0.041 18032
10371 1 19 . 1 1 92 92 GLY H H 92 8.090 8.090 7.646 0.444 18032
10372 1 19 . 1 1 93 93 ALA N N 93 123.300 123.300 122.283 1.017 18032
10373 1 19 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.399 -0.079 18032
10374 1 19 . 1 1 93 93 ALA C C 93 178.300 178.300 177.150 1.150 18032
10375 1 19 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.691 1.409 18032
10376 1 19 . 1 1 93 93 ALA CB C 93 19.000 19.000 18.761 0.239 18032
10377 1 19 . 1 1 93 93 ALA H H 93 7.900 7.900 7.374 0.526 18032
10378 1 19 . 1 1 94 94 LEU N N 94 119.800 119.800 119.537 0.263 18032
10379 1 19 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.348 -0.058 18032
10380 1 19 . 1 1 94 94 LEU C C 94 177.900 177.900 176.149 1.751 18032
10381 1 19 . 1 1 94 94 LEU CA C 94 55.900 55.900 53.080 2.820 18032
10382 1 19 . 1 1 94 94 LEU CB C 94 42.300 42.300 43.542 -1.242 18032
10383 1 19 . 1 1 94 94 LEU H H 94 7.940 7.940 7.057 0.883 18032
10384 1 19 . 1 1 95 95 GLU N N 95 120.100 120.100 122.204 -2.104 18032
10385 1 19 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.001 0.189 18032
10386 1 19 . 1 1 95 95 GLU C C 95 176.500 176.500 175.803 0.697 18032
10387 1 19 . 1 1 95 95 GLU CA C 95 56.900 56.900 57.352 -0.452 18032
10388 1 19 . 1 1 95 95 GLU CB C 95 30.200 30.200 28.495 1.705 18032
10389 1 19 . 1 1 95 95 GLU H H 95 8.130 8.130 8.711 -0.581 18032
10390 1 19 . 1 1 96 96 HIS N N 96 119.200 119.200 121.410 -2.210 18032
10391 1 19 . 1 1 96 96 HIS CA C 96 56.300 56.300 55.818 0.482 18032
10392 1 19 . 1 1 96 96 HIS CB C 96 30.300 30.300 31.691 -1.391 18032
10393 1 19 . 1 1 96 96 HIS H H 96 8.160 8.160 8.138 0.022 18032
10394 1 20 . 1 1 2 2 THR HA H 2 4.580 4.580 4.636 -0.056 18032
10395 1 20 . 1 1 2 2 THR C C 2 174.500 174.500 174.005 0.495 18032
10396 1 20 . 1 1 2 2 THR CA C 2 61.700 61.700 61.821 -0.121 18032
10397 1 20 . 1 1 2 2 THR CB C 2 70.400 70.400 68.979 1.421 18032
10398 1 20 . 1 1 3 3 SER N N 3 120.600 120.600 122.515 -1.915 18032
10399 1 20 . 1 1 3 3 SER HA H 3 4.770 4.770 4.765 0.005 18032
10400 1 20 . 1 1 3 3 SER C C 3 175.100 175.100 175.481 -0.381 18032
10401 1 20 . 1 1 3 3 SER CA C 3 58.300 58.300 57.706 0.593 18032
10402 1 20 . 1 1 3 3 SER CB C 3 65.000 65.000 64.275 0.725 18032
10403 1 20 . 1 1 3 3 SER H H 3 9.090 9.090 8.559 0.531 18032
10404 1 20 . 1 1 4 4 THR N N 4 120.500 120.500 118.676 1.824 18032
10405 1 20 . 1 1 4 4 THR HA H 4 4.230 4.230 4.367 -0.137 18032
10406 1 20 . 1 1 4 4 THR C C 4 176.200 176.200 176.427 -0.227 18032
10407 1 20 . 1 1 4 4 THR CA C 4 67.700 67.700 66.010 1.690 18032
10408 1 20 . 1 1 4 4 THR CB C 4 67.500 67.500 68.849 -1.349 18032
10409 1 20 . 1 1 4 4 THR H H 4 8.890 8.890 8.709 0.181 18032
10410 1 20 . 1 1 5 5 PHE N N 5 121.100 121.100 122.207 -1.107 18032
10411 1 20 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.232 -0.432 18032
10412 1 20 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.333 1.367 18032
10413 1 20 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.399 0.301 18032
10414 1 20 . 1 1 5 5 PHE H H 5 9.110 9.110 8.415 0.695 18032
10415 1 20 . 1 1 6 6 ASP N N 6 119.800 119.800 118.558 1.242 18032
10416 1 20 . 1 1 6 6 ASP HA H 6 3.840 3.840 3.978 -0.138 18032
10417 1 20 . 1 1 6 6 ASP C C 6 179.200 179.200 179.226 -0.026 18032
10418 1 20 . 1 1 6 6 ASP CA C 6 57.900 57.900 58.196 -0.296 18032
10419 1 20 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.043 0.857 18032
10420 1 20 . 1 1 6 6 ASP H H 6 8.120 8.120 8.439 -0.319 18032
10421 1 20 . 1 1 7 7 ARG N N 7 119.200 119.200 119.265 -0.065 18032
10422 1 20 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.122 -0.052 18032
10423 1 20 . 1 1 7 7 ARG C C 7 179.400 179.400 178.853 0.547 18032
10424 1 20 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.300 1.000 18032
10425 1 20 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.946 1.154 18032
10426 1 20 . 1 1 7 7 ARG H H 7 8.020 8.020 7.666 0.354 18032
10427 1 20 . 1 1 8 8 VAL N N 8 120.600 120.600 120.195 0.405 18032
10428 1 20 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.734 -0.224 18032
10429 1 20 . 1 1 8 8 VAL C C 8 176.800 176.800 177.726 -0.926 18032
10430 1 20 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.701 0.299 18032
10431 1 20 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.410 0.190 18032
10432 1 20 . 1 1 8 8 VAL H H 8 8.520 8.520 8.106 0.414 18032
10433 1 20 . 1 1 9 9 ALA N N 9 122.800 122.800 121.341 1.459 18032
10434 1 20 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.938 -0.268 18032
10435 1 20 . 1 1 9 9 ALA C C 9 179.000 179.000 179.643 -0.643 18032
10436 1 20 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.430 0.370 18032
10437 1 20 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.721 -0.521 18032
10438 1 20 . 1 1 9 9 ALA H H 9 8.920 8.920 8.244 0.676 18032
10439 1 20 . 1 1 10 10 THR N N 10 114.300 114.300 116.339 -2.039 18032
10440 1 20 . 1 1 10 10 THR HA H 10 3.800 3.800 3.937 -0.137 18032
10441 1 20 . 1 1 10 10 THR C C 10 175.500 175.500 176.590 -1.090 18032
10442 1 20 . 1 1 10 10 THR CA C 10 67.400 67.400 67.382 0.019 18032
10443 1 20 . 1 1 10 10 THR CB C 10 68.900 68.900 68.742 0.158 18032
10444 1 20 . 1 1 10 10 THR H H 10 7.790 7.790 7.704 0.086 18032
10445 1 20 . 1 1 11 11 ILE N N 11 122.100 122.100 122.054 0.046 18032
10446 1 20 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.639 0.241 18032
10447 1 20 . 1 1 11 11 ILE C C 11 179.700 179.700 177.897 1.803 18032
10448 1 20 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.742 -0.242 18032
10449 1 20 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.708 0.892 18032
10450 1 20 . 1 1 11 11 ILE H H 11 7.760 7.760 7.910 -0.150 18032
10451 1 20 . 1 1 12 12 ILE N N 12 123.100 123.100 119.619 3.481 18032
10452 1 20 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.676 -0.266 18032
10453 1 20 . 1 1 12 12 ILE C C 12 176.800 176.800 177.786 -0.986 18032
10454 1 20 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.211 1.789 18032
10455 1 20 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.616 0.284 18032
10456 1 20 . 1 1 12 12 ILE H H 12 8.750 8.750 8.046 0.704 18032
10457 1 20 . 1 1 13 13 ALA N N 13 122.600 122.600 123.193 -0.593 18032
10458 1 20 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.295 -0.015 18032
10459 1 20 . 1 1 13 13 ALA C C 13 180.700 180.700 179.606 1.094 18032
10460 1 20 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.168 0.532 18032
10461 1 20 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.408 0.192 18032
10462 1 20 . 1 1 13 13 ALA H H 13 8.430 8.430 7.992 0.438 18032
10463 1 20 . 1 1 14 14 GLU N N 14 114.500 114.500 115.891 -1.391 18032
10464 1 20 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.139 0.051 18032
10465 1 20 . 1 1 14 14 GLU C C 14 179.100 179.100 179.018 0.082 18032
10466 1 20 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.173 0.227 18032
10467 1 20 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.305 0.695 18032
10468 1 20 . 1 1 14 14 GLU H H 14 8.290 8.290 7.937 0.353 18032
10469 1 20 . 1 1 15 15 THR N N 15 115.500 115.500 114.330 1.170 18032
10470 1 20 . 1 1 15 15 THR HA H 15 4.080 4.080 4.236 -0.156 18032
10471 1 20 . 1 1 15 15 THR C C 15 176.200 176.200 175.645 0.555 18032
10472 1 20 . 1 1 15 15 THR CA C 15 66.500 66.500 65.321 1.179 18032
10473 1 20 . 1 1 15 15 THR CB C 15 69.400 69.400 69.616 -0.216 18032
10474 1 20 . 1 1 15 15 THR H H 15 8.390 8.390 8.312 0.078 18032
10475 1 20 . 1 1 16 16 CYS N N 16 116.000 116.000 117.667 -1.667 18032
10476 1 20 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.693 -0.123 18032
10477 1 20 . 1 1 16 16 CYS C C 16 173.700 173.700 173.541 0.159 18032
10478 1 20 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.631 0.569 18032
10479 1 20 . 1 1 16 16 CYS CB C 16 29.600 29.600 29.113 0.486 18032
10480 1 20 . 1 1 16 16 CYS H H 16 8.130 8.130 7.976 0.154 18032
10481 1 20 . 1 1 17 17 ASP N N 17 119.900 119.900 120.162 -0.262 18032
10482 1 20 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.438 -0.028 18032
10483 1 20 . 1 1 17 17 ASP C C 17 174.700 174.700 174.739 -0.039 18032
10484 1 20 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.117 0.083 18032
10485 1 20 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.797 -0.897 18032
10486 1 20 . 1 1 17 17 ASP H H 17 7.740 7.740 7.846 -0.106 18032
10487 1 20 . 1 1 18 18 ILE N N 18 119.100 119.100 118.980 0.120 18032
10488 1 20 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.535 0.055 18032
10489 1 20 . 1 1 18 18 ILE C C 18 179.400 179.400 174.161 5.239 18032
10490 1 20 . 1 1 18 18 ILE CA C 18 57.800 57.800 56.966 0.834 18032
10491 1 20 . 1 1 18 18 ILE CB C 18 42.000 42.000 37.842 4.158 18032
10492 1 20 . 1 1 18 18 ILE H H 18 7.410 7.410 7.512 -0.102 18032
10493 1 20 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.497 -0.127 18032
10494 1 20 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.168 -0.068 18032
10495 1 20 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.430 -0.330 18032
10496 1 20 . 1 1 20 20 ARG N N 20 129.100 129.100 124.216 4.884 18032
10497 1 20 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.971 -0.111 18032
10498 1 20 . 1 1 20 20 ARG C C 20 178.500 178.500 176.658 1.842 18032
10499 1 20 . 1 1 20 20 ARG CA C 20 58.800 58.800 58.435 0.365 18032
10500 1 20 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.642 -0.142 18032
10501 1 20 . 1 1 20 20 ARG H H 20 9.150 9.150 8.652 0.498 18032
10502 1 20 . 1 1 21 21 GLU N N 21 117.300 117.300 114.872 2.428 18032
10503 1 20 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.198 0.102 18032
10504 1 20 . 1 1 21 21 GLU C C 21 177.200 177.200 177.744 -0.544 18032
10505 1 20 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.211 0.389 18032
10506 1 20 . 1 1 21 21 GLU CB C 21 28.500 28.500 29.117 -0.617 18032
10507 1 20 . 1 1 21 21 GLU H H 21 9.820 9.820 8.504 1.316 18032
10508 1 20 . 1 1 22 22 THR N N 22 110.200 110.200 108.808 1.392 18032
10509 1 20 . 1 1 22 22 THR HA H 22 4.340 4.340 4.384 -0.044 18032
10510 1 20 . 1 1 22 22 THR C C 22 173.000 173.000 174.456 -1.456 18032
10511 1 20 . 1 1 22 22 THR CA C 22 62.300 62.300 62.590 -0.290 18032
10512 1 20 . 1 1 22 22 THR CB C 22 70.000 70.000 69.507 0.493 18032
10513 1 20 . 1 1 22 22 THR H H 22 7.780 7.780 7.521 0.259 18032
10514 1 20 . 1 1 23 23 ILE N N 23 122.600 122.600 123.592 -0.992 18032
10515 1 20 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.241 -0.241 18032
10516 1 20 . 1 1 23 23 ILE C C 23 174.700 174.700 175.022 -0.322 18032
10517 1 20 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.391 1.209 18032
10518 1 20 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.536 0.964 18032
10519 1 20 . 1 1 23 23 ILE H H 23 7.590 7.590 7.290 0.300 18032
10520 1 20 . 1 1 24 24 THR N N 24 118.600 118.600 119.391 -0.791 18032
10521 1 20 . 1 1 24 24 THR HA H 24 5.290 5.290 5.080 0.210 18032
10522 1 20 . 1 1 24 24 THR CA C 24 59.000 59.000 58.722 0.278 18032
10523 1 20 . 1 1 24 24 THR CB C 24 69.800 69.800 70.216 -0.416 18032
10524 1 20 . 1 1 24 24 THR H H 24 8.580 8.580 8.602 -0.022 18032
10525 1 20 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.513 0.257 18032
10526 1 20 . 1 1 25 25 PRO C C 25 176.200 176.200 177.687 -1.487 18032
10527 1 20 . 1 1 25 25 PRO CA C 25 64.900 64.900 65.135 -0.234 18032
10528 1 20 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.439 0.361 18032
10529 1 20 . 1 1 26 26 GLU N N 26 110.900 110.900 114.001 -3.101 18032
10530 1 20 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.306 -0.136 18032
10531 1 20 . 1 1 26 26 GLU C C 26 176.900 176.900 175.920 0.980 18032
10532 1 20 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.693 0.607 18032
10533 1 20 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.503 -0.003 18032
10534 1 20 . 1 1 26 26 GLU H H 26 7.380 7.380 8.421 -1.041 18032
10535 1 20 . 1 1 27 27 SER N N 27 118.100 118.100 116.617 1.483 18032
10536 1 20 . 1 1 27 27 SER HA H 27 4.300 4.300 4.477 -0.177 18032
10537 1 20 . 1 1 27 27 SER C C 27 172.100 172.100 173.459 -1.359 18032
10538 1 20 . 1 1 27 27 SER CA C 27 61.000 61.000 59.382 1.618 18032
10539 1 20 . 1 1 27 27 SER CB C 27 64.200 64.200 63.989 0.211 18032
10540 1 20 . 1 1 27 27 SER H H 27 8.040 8.040 7.505 0.535 18032
10541 1 20 . 1 1 28 28 HIS N N 28 128.200 128.200 126.434 1.766 18032
10542 1 20 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.907 -0.167 18032
10543 1 20 . 1 1 28 28 HIS C C 28 178.200 178.200 175.912 2.288 18032
10544 1 20 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.421 -0.121 18032
10545 1 20 . 1 1 28 28 HIS CB C 28 32.600 32.600 30.997 1.603 18032
10546 1 20 . 1 1 28 28 HIS H H 28 10.680 10.680 8.966 1.714 18032
10547 1 20 . 1 1 29 29 ALA N N 29 130.100 130.100 131.742 -1.642 18032
10548 1 20 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.035 -0.085 18032
10549 1 20 . 1 1 29 29 ALA C C 29 175.700 175.700 178.451 -2.751 18032
10550 1 20 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.733 0.167 18032
10551 1 20 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.852 -0.052 18032
10552 1 20 . 1 1 29 29 ALA H H 29 9.270 9.270 8.797 0.473 18032
10553 1 20 . 1 1 30 30 ILE N N 30 113.300 113.300 115.853 -2.553 18032
10554 1 20 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.257 -0.047 18032
10555 1 20 . 1 1 30 30 ILE C C 30 177.200 177.200 177.830 -0.630 18032
10556 1 20 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.703 -0.803 18032
10557 1 20 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.520 0.580 18032
10558 1 20 . 1 1 30 30 ILE H H 30 8.540 8.540 7.655 0.884 18032
10559 1 20 . 1 1 31 31 ASP N N 31 120.600 120.600 119.510 1.090 18032
10560 1 20 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.476 -0.296 18032
10561 1 20 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.865 0.635 18032
10562 1 20 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.194 -1.194 18032
10563 1 20 . 1 1 31 31 ASP H H 31 8.480 8.480 8.484 -0.004 18032
10564 1 20 . 1 1 32 32 ASP N N 32 114.200 114.200 119.071 -4.871 18032
10565 1 20 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.627 0.433 18032
10566 1 20 . 1 1 32 32 ASP C C 32 177.500 177.500 178.067 -0.567 18032
10567 1 20 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.858 0.142 18032
10568 1 20 . 1 1 32 32 ASP CB C 32 42.200 42.200 41.807 0.393 18032
10569 1 20 . 1 1 32 32 ASP H H 32 8.450 8.450 7.874 0.576 18032
10570 1 20 . 1 1 33 33 LEU N N 33 114.000 114.000 117.820 -3.820 18032
10571 1 20 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.484 -0.014 18032
10572 1 20 . 1 1 33 33 LEU C C 33 177.400 177.400 177.236 0.164 18032
10573 1 20 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.297 -0.397 18032
10574 1 20 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.728 -1.528 18032
10575 1 20 . 1 1 33 33 LEU H H 33 7.230 7.230 7.922 -0.692 18032
10576 1 20 . 1 1 34 34 GLY N N 34 107.000 107.000 107.409 -0.409 18032
10577 1 20 . 1 1 34 34 GLY C C 34 174.500 174.500 174.638 -0.138 18032
10578 1 20 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.628 1.272 18032
10579 1 20 . 1 1 34 34 GLY H H 34 7.330 7.330 8.094 -0.764 18032
10580 1 20 . 1 1 35 35 ILE N N 35 120.700 120.700 120.191 0.509 18032
10581 1 20 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.249 -0.139 18032
10582 1 20 . 1 1 35 35 ILE C C 35 175.300 175.300 175.005 0.295 18032
10583 1 20 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.877 1.123 18032
10584 1 20 . 1 1 35 35 ILE CB C 35 37.900 37.900 38.120 -0.220 18032
10585 1 20 . 1 1 35 35 ILE H H 35 7.820 7.820 8.055 -0.235 18032
10586 1 20 . 1 1 36 36 ASP N N 36 126.800 126.800 128.530 -1.730 18032
10587 1 20 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.599 0.241 18032
10588 1 20 . 1 1 36 36 ASP C C 36 177.100 177.100 177.237 -0.137 18032
10589 1 20 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.627 -2.027 18032
10590 1 20 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.497 0.003 18032
10591 1 20 . 1 1 36 36 ASP H H 36 8.780 8.780 8.187 0.593 18032
10592 1 20 . 1 1 37 37 SER N N 37 114.000 114.000 115.708 -1.708 18032
10593 1 20 . 1 1 37 37 SER HA H 37 4.170 4.170 4.229 -0.059 18032
10594 1 20 . 1 1 37 37 SER C C 37 175.700 175.700 176.835 -1.135 18032
10595 1 20 . 1 1 37 37 SER CA C 37 60.700 60.700 62.117 -1.417 18032
10596 1 20 . 1 1 37 37 SER CB C 37 65.800 65.800 62.909 2.891 18032
10597 1 20 . 1 1 37 37 SER H H 37 8.750 8.750 8.385 0.365 18032
10598 1 20 . 1 1 38 38 LEU N N 38 123.200 123.200 120.368 2.832 18032
10599 1 20 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.090 0.130 18032
10600 1 20 . 1 1 38 38 LEU C C 38 180.200 180.200 178.848 1.352 18032
10601 1 20 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.974 -0.174 18032
10602 1 20 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.088 -0.088 18032
10603 1 20 . 1 1 38 38 LEU H H 38 8.030 8.030 8.377 -0.347 18032
10604 1 20 . 1 1 39 39 ASP N N 39 121.500 121.500 119.700 1.800 18032
10605 1 20 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.432 0.008 18032
10606 1 20 . 1 1 39 39 ASP C C 39 179.000 179.000 178.621 0.379 18032
10607 1 20 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.938 -0.738 18032
10608 1 20 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.384 0.816 18032
10609 1 20 . 1 1 39 39 ASP H H 39 8.390 8.390 8.329 0.061 18032
10610 1 20 . 1 1 40 40 PHE N N 40 118.900 118.900 120.742 -1.842 18032
10611 1 20 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.340 -0.290 18032
10612 1 20 . 1 1 40 40 PHE C C 40 177.500 177.500 176.937 0.563 18032
10613 1 20 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.549 1.251 18032
10614 1 20 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.406 -1.006 18032
10615 1 20 . 1 1 40 40 PHE H H 40 8.640 8.640 8.100 0.540 18032
10616 1 20 . 1 1 41 41 LEU N N 41 118.800 118.800 120.472 -1.672 18032
10617 1 20 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.728 0.252 18032
10618 1 20 . 1 1 41 41 LEU C C 41 179.300 179.300 178.650 0.650 18032
10619 1 20 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.181 0.219 18032
10620 1 20 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.370 -0.370 18032
10621 1 20 . 1 1 41 41 LEU H H 41 7.660 7.660 8.706 -1.046 18032
10622 1 20 . 1 1 42 42 ASP N N 42 119.700 119.700 119.596 0.104 18032
10623 1 20 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.559 0.031 18032
10624 1 20 . 1 1 42 42 ASP C C 42 179.800 179.800 178.842 0.958 18032
10625 1 20 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.518 0.082 18032
10626 1 20 . 1 1 42 42 ASP CB C 42 40.300 40.300 41.007 -0.707 18032
10627 1 20 . 1 1 42 42 ASP H H 42 7.320 7.320 7.848 -0.528 18032
10628 1 20 . 1 1 43 43 ILE N N 43 122.700 122.700 119.558 3.142 18032
10629 1 20 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.705 -0.185 18032
10630 1 20 . 1 1 43 43 ILE C C 43 177.100 177.100 177.657 -0.557 18032
10631 1 20 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.884 0.316 18032
10632 1 20 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.779 0.121 18032
10633 1 20 . 1 1 43 43 ILE H H 43 8.090 8.090 7.713 0.377 18032
10634 1 20 . 1 1 44 44 ALA N N 44 122.600 122.600 122.630 -0.030 18032
10635 1 20 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.922 -0.062 18032
10636 1 20 . 1 1 44 44 ALA C C 44 178.500 178.500 179.590 -1.090 18032
10637 1 20 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.783 0.917 18032
10638 1 20 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.701 0.599 18032
10639 1 20 . 1 1 44 44 ALA H H 44 8.830 8.830 7.613 1.217 18032
10640 1 20 . 1 1 45 45 PHE N N 45 117.300 117.300 118.245 -0.945 18032
10641 1 20 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.124 0.376 18032
10642 1 20 . 1 1 45 45 PHE C C 45 178.300 178.300 177.771 0.529 18032
10643 1 20 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.508 -0.908 18032
10644 1 20 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.580 0.120 18032
10645 1 20 . 1 1 45 45 PHE H H 45 8.090 8.090 8.070 0.020 18032
10646 1 20 . 1 1 46 46 ALA N N 46 121.600 121.600 123.125 -1.525 18032
10647 1 20 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.125 0.045 18032
10648 1 20 . 1 1 46 46 ALA C C 46 181.400 181.400 179.742 1.658 18032
10649 1 20 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.117 -0.117 18032
10650 1 20 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.078 1.122 18032
10651 1 20 . 1 1 46 46 ALA H H 46 7.780 7.780 7.766 0.014 18032
10652 1 20 . 1 1 47 47 ILE N N 47 122.900 122.900 118.810 4.090 18032
10653 1 20 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.830 -0.050 18032
10654 1 20 . 1 1 47 47 ILE C C 47 177.000 177.000 177.429 -0.429 18032
10655 1 20 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.538 0.462 18032
10656 1 20 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.756 0.244 18032
10657 1 20 . 1 1 47 47 ILE H H 47 8.960 8.960 8.171 0.789 18032
10658 1 20 . 1 1 48 48 ASP N N 48 123.900 123.900 121.413 2.487 18032
10659 1 20 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.423 -0.053 18032
10660 1 20 . 1 1 48 48 ASP C C 48 180.200 180.200 178.573 1.627 18032
10661 1 20 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.856 -0.156 18032
10662 1 20 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.955 -0.655 18032
10663 1 20 . 1 1 48 48 ASP H H 48 8.950 8.950 8.226 0.724 18032
10664 1 20 . 1 1 49 49 LYS N N 49 117.500 117.500 117.847 -0.347 18032
10665 1 20 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.218 -0.198 18032
10666 1 20 . 1 1 49 49 LYS C C 49 178.800 178.800 178.591 0.209 18032
10667 1 20 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.180 0.420 18032
10668 1 20 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.598 0.002 18032
10669 1 20 . 1 1 49 49 LYS H H 49 7.590 7.590 7.679 -0.089 18032
10670 1 20 . 1 1 50 50 ALA N N 50 121.100 121.100 122.740 -1.640 18032
10671 1 20 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.108 -0.078 18032
10672 1 20 . 1 1 50 50 ALA C C 50 179.400 179.400 178.958 0.442 18032
10673 1 20 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.504 0.096 18032
10674 1 20 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.704 0.396 18032
10675 1 20 . 1 1 50 50 ALA H H 50 8.180 8.180 7.695 0.485 18032
10676 1 20 . 1 1 51 51 PHE N N 51 111.600 111.600 115.615 -4.015 18032
10677 1 20 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.471 0.069 18032
10678 1 20 . 1 1 51 51 PHE C C 51 176.200 176.200 176.296 -0.096 18032
10679 1 20 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.547 -0.147 18032
10680 1 20 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.539 0.961 18032
10681 1 20 . 1 1 51 51 PHE H H 51 8.620 8.620 8.136 0.484 18032
10682 1 20 . 1 1 52 52 GLY N N 52 112.100 112.100 107.830 4.270 18032
10683 1 20 . 1 1 52 52 GLY C C 52 174.900 174.900 174.463 0.437 18032
10684 1 20 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.669 1.831 18032
10685 1 20 . 1 1 52 52 GLY H H 52 8.140 8.140 8.071 0.069 18032
10686 1 20 . 1 1 53 53 ILE N N 53 111.000 111.000 113.728 -2.728 18032
10687 1 20 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.568 0.102 18032
10688 1 20 . 1 1 53 53 ILE C C 53 173.500 173.500 174.666 -1.166 18032
10689 1 20 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.260 0.340 18032
10690 1 20 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.738 2.162 18032
10691 1 20 . 1 1 53 53 ILE H H 53 7.520 7.520 7.737 -0.217 18032
10692 1 20 . 1 1 54 54 LYS N N 54 119.600 119.600 123.334 -3.734 18032
10693 1 20 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.562 0.048 18032
10694 1 20 . 1 1 54 54 LYS C C 54 175.900 175.900 176.638 -0.738 18032
10695 1 20 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.754 -1.454 18032
10696 1 20 . 1 1 54 54 LYS CB C 54 33.000 33.000 30.963 2.037 18032
10697 1 20 . 1 1 54 54 LYS H H 54 7.940 7.940 8.334 -0.394 18032
10698 1 20 . 1 1 55 55 LEU N N 55 130.800 130.800 125.952 4.848 18032
10699 1 20 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.242 -0.392 18032
10700 1 20 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.956 0.344 18032
10701 1 20 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.613 0.387 18032
10702 1 20 . 1 1 55 55 LEU H H 55 10.700 10.700 8.226 2.474 18032
10703 1 20 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.255 0.345 18032
10704 1 20 . 1 1 56 56 PRO C C 56 174.600 174.600 175.646 -1.046 18032
10705 1 20 . 1 1 56 56 PRO CA C 56 61.500 61.500 61.748 -0.248 18032
10706 1 20 . 1 1 56 56 PRO CB C 56 27.500 27.500 30.026 -2.526 18032
10707 1 20 . 1 1 57 57 LEU N N 57 121.300 121.300 122.009 -0.709 18032
10708 1 20 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.556 -0.146 18032
10709 1 20 . 1 1 57 57 LEU C C 57 179.100 179.100 177.865 1.235 18032
10710 1 20 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.965 0.235 18032
10711 1 20 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.655 0.445 18032
10712 1 20 . 1 1 57 57 LEU H H 57 7.490 7.490 7.466 0.024 18032
10713 1 20 . 1 1 58 58 GLU N N 58 119.200 119.200 118.116 1.084 18032
10714 1 20 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.985 -0.005 18032
10715 1 20 . 1 1 58 58 GLU C C 58 178.500 178.500 178.771 -0.271 18032
10716 1 20 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.491 0.409 18032
10717 1 20 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.941 -0.241 18032
10718 1 20 . 1 1 58 58 GLU H H 58 8.860 8.860 8.486 0.374 18032
10719 1 20 . 1 1 59 59 LYS N N 59 122.100 122.100 120.897 1.203 18032
10720 1 20 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.020 0.080 18032
10721 1 20 . 1 1 59 59 LYS C C 59 178.700 178.700 178.773 -0.073 18032
10722 1 20 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.202 -0.302 18032
10723 1 20 . 1 1 59 59 LYS CB C 59 32.200 32.200 31.989 0.211 18032
10724 1 20 . 1 1 59 59 LYS H H 59 7.420 7.420 7.886 -0.466 18032
10725 1 20 . 1 1 60 60 TRP N N 60 120.000 120.000 118.094 1.906 18032
10726 1 20 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.497 -0.297 18032
10727 1 20 . 1 1 60 60 TRP C C 60 178.300 178.300 179.375 -1.075 18032
10728 1 20 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.843 -0.143 18032
10729 1 20 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.730 0.870 18032
10730 1 20 . 1 1 60 60 TRP H H 60 8.140 8.140 8.007 0.133 18032
10731 1 20 . 1 1 61 61 THR N N 61 113.200 113.200 116.021 -2.821 18032
10732 1 20 . 1 1 61 61 THR HA H 61 3.870 3.870 4.175 -0.305 18032
10733 1 20 . 1 1 61 61 THR C C 61 176.300 176.300 177.189 -0.889 18032
10734 1 20 . 1 1 61 61 THR CA C 61 67.100 67.100 67.702 -0.602 18032
10735 1 20 . 1 1 61 61 THR CB C 61 68.900 68.900 68.481 0.419 18032
10736 1 20 . 1 1 61 61 THR H H 61 8.390 8.390 8.292 0.098 18032
10737 1 20 . 1 1 62 62 GLN N N 62 122.300 122.300 119.963 2.337 18032
10738 1 20 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.195 -0.155 18032
10739 1 20 . 1 1 62 62 GLN C C 62 177.900 177.900 178.536 -0.636 18032
10740 1 20 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.844 0.155 18032
10741 1 20 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.341 -0.241 18032
10742 1 20 . 1 1 62 62 GLN H H 62 7.810 7.810 7.785 0.025 18032
10743 1 20 . 1 1 63 63 GLU N N 63 119.000 119.000 120.901 -1.901 18032
10744 1 20 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.117 -0.047 18032
10745 1 20 . 1 1 63 63 GLU C C 63 180.000 180.000 179.473 0.527 18032
10746 1 20 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.485 0.715 18032
10747 1 20 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.717 0.683 18032
10748 1 20 . 1 1 63 63 GLU H H 63 8.410 8.410 8.100 0.310 18032
10749 1 20 . 1 1 64 64 VAL N N 64 119.600 119.600 120.551 -0.951 18032
10750 1 20 . 1 1 64 64 VAL HA H 64 4.120 4.120 3.889 0.231 18032
10751 1 20 . 1 1 64 64 VAL C C 64 180.600 180.600 178.597 2.003 18032
10752 1 20 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.623 -1.223 18032
10753 1 20 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.826 0.074 18032
10754 1 20 . 1 1 64 64 VAL H H 64 8.170 8.170 8.350 -0.180 18032
10755 1 20 . 1 1 65 65 ASN N N 65 121.700 121.700 118.222 3.478 18032
10756 1 20 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.559 -0.049 18032
10757 1 20 . 1 1 65 65 ASN C C 65 177.300 177.300 176.547 0.753 18032
10758 1 20 . 1 1 65 65 ASN CA C 65 56.300 56.300 56.034 0.266 18032
10759 1 20 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.444 -0.344 18032
10760 1 20 . 1 1 65 65 ASN H H 65 8.550 8.550 7.972 0.578 18032
10761 1 20 . 1 1 66 66 ASP N N 66 118.000 118.000 118.087 -0.087 18032
10762 1 20 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.712 0.058 18032
10763 1 20 . 1 1 66 66 ASP C C 66 177.000 177.000 176.794 0.206 18032
10764 1 20 . 1 1 66 66 ASP CA C 66 54.800 54.800 53.955 0.845 18032
10765 1 20 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.262 0.038 18032
10766 1 20 . 1 1 66 66 ASP H H 66 8.470 8.470 7.945 0.525 18032
10767 1 20 . 1 1 67 67 GLY N N 67 108.600 108.600 107.328 1.272 18032
10768 1 20 . 1 1 67 67 GLY C C 67 174.800 174.800 175.496 -0.696 18032
10769 1 20 . 1 1 67 67 GLY CA C 67 46.000 46.000 46.125 -0.125 18032
10770 1 20 . 1 1 67 67 GLY H H 67 8.100 8.100 7.694 0.406 18032
10771 1 20 . 1 1 68 68 LYS N N 68 118.900 118.900 119.314 -0.414 18032
10772 1 20 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.089 0.221 18032
10773 1 20 . 1 1 68 68 LYS C C 68 175.100 175.100 176.722 -1.622 18032
10774 1 20 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.653 -1.252 18032
10775 1 20 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.020 0.480 18032
10776 1 20 . 1 1 68 68 LYS H H 68 8.400 8.400 8.082 0.318 18032
10777 1 20 . 1 1 69 69 ALA N N 69 120.400 120.400 119.791 0.609 18032
10778 1 20 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.676 -0.046 18032
10779 1 20 . 1 1 69 69 ALA C C 69 175.900 175.900 175.796 0.104 18032
10780 1 20 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.888 -0.388 18032
10781 1 20 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.678 2.322 18032
10782 1 20 . 1 1 69 69 ALA H H 69 7.490 7.490 7.725 -0.235 18032
10783 1 20 . 1 1 70 70 THR N N 70 109.700 109.700 110.884 -1.184 18032
10784 1 20 . 1 1 70 70 THR HA H 70 4.750 4.750 4.743 0.007 18032
10785 1 20 . 1 1 70 70 THR C C 70 175.600 175.600 175.878 -0.278 18032
10786 1 20 . 1 1 70 70 THR CA C 70 59.600 59.600 60.309 -0.709 18032
10787 1 20 . 1 1 70 70 THR CB C 70 70.700 70.700 71.894 -1.194 18032
10788 1 20 . 1 1 70 70 THR H H 70 7.930 7.930 8.305 -0.375 18032
10789 1 20 . 1 1 71 71 THR N N 71 111.300 111.300 113.486 -2.186 18032
10790 1 20 . 1 1 71 71 THR HA H 71 4.110 4.110 4.144 -0.034 18032
10791 1 20 . 1 1 71 71 THR C C 71 177.500 177.500 176.541 0.959 18032
10792 1 20 . 1 1 71 71 THR CA C 71 65.100 65.100 66.043 -0.944 18032
10793 1 20 . 1 1 71 71 THR CB C 71 68.900 68.900 68.718 0.182 18032
10794 1 20 . 1 1 71 71 THR H H 71 9.030 9.030 8.548 0.482 18032
10795 1 20 . 1 1 72 72 GLU N N 72 122.300 122.300 120.447 1.853 18032
10796 1 20 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.085 -0.225 18032
10797 1 20 . 1 1 72 72 GLU C C 72 177.500 177.500 178.957 -1.457 18032
10798 1 20 . 1 1 72 72 GLU CA C 72 59.900 59.900 58.967 0.933 18032
10799 1 20 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.258 0.742 18032
10800 1 20 . 1 1 72 72 GLU H H 72 8.830 8.830 8.944 -0.114 18032
10801 1 20 . 1 1 73 73 GLN N N 73 116.900 116.900 117.907 -1.007 18032
10802 1 20 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.766 -0.136 18032
10803 1 20 . 1 1 73 73 GLN C C 73 174.000 174.000 177.575 -3.575 18032
10804 1 20 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.303 -0.303 18032
10805 1 20 . 1 1 73 73 GLN CB C 73 28.600 28.600 27.982 0.618 18032
10806 1 20 . 1 1 73 73 GLN H H 73 7.280 7.280 8.328 -1.048 18032
10807 1 20 . 1 1 74 74 TYR N N 74 112.700 112.700 114.255 -1.555 18032
10808 1 20 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.102 -0.022 18032
10809 1 20 . 1 1 74 74 TYR C C 74 173.900 173.900 176.298 -2.398 18032
10810 1 20 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.121 -1.321 18032
10811 1 20 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.530 0.770 18032
10812 1 20 . 1 1 74 74 TYR H H 74 6.310 6.310 7.348 -1.038 18032
10813 1 20 . 1 1 75 75 PHE N N 75 108.000 108.000 115.917 -7.917 18032
10814 1 20 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.466 0.194 18032
10815 1 20 . 1 1 75 75 PHE C C 75 177.900 177.900 174.318 3.582 18032
10816 1 20 . 1 1 75 75 PHE CA C 75 57.400 57.400 56.963 0.437 18032
10817 1 20 . 1 1 75 75 PHE CB C 75 39.700 39.700 38.306 1.394 18032
10818 1 20 . 1 1 75 75 PHE H H 75 7.760 7.760 7.863 -0.103 18032
10819 1 20 . 1 1 76 76 VAL N N 76 120.700 120.700 120.111 0.589 18032
10820 1 20 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.388 0.382 18032
10821 1 20 . 1 1 76 76 VAL C C 76 180.000 180.000 176.811 3.189 18032
10822 1 20 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.302 1.598 18032
10823 1 20 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.999 -1.799 18032
10824 1 20 . 1 1 76 76 VAL H H 76 7.010 7.010 7.322 -0.312 18032
10825 1 20 . 1 1 77 77 LEU N N 77 131.600 131.600 128.485 3.115 18032
10826 1 20 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.059 -0.029 18032
10827 1 20 . 1 1 77 77 LEU C C 77 179.000 179.000 179.128 -0.128 18032
10828 1 20 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.901 0.199 18032
10829 1 20 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.178 -0.178 18032
10830 1 20 . 1 1 77 77 LEU H H 77 8.860 8.860 8.815 0.045 18032
10831 1 20 . 1 1 78 78 LYS N N 78 116.700 116.700 118.274 -1.574 18032
10832 1 20 . 1 1 78 78 LYS HA H 78 4.210 4.210 4.030 0.180 18032
10833 1 20 . 1 1 78 78 LYS C C 78 178.000 178.000 178.781 -0.781 18032
10834 1 20 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.231 -0.132 18032
10835 1 20 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.683 -0.583 18032
10836 1 20 . 1 1 78 78 LYS H H 78 9.540 9.540 8.273 1.267 18032
10837 1 20 . 1 1 79 79 ASN N N 79 121.500 121.500 119.778 1.722 18032
10838 1 20 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.437 0.213 18032
10839 1 20 . 1 1 79 79 ASN C C 79 176.200 176.200 177.527 -1.327 18032
10840 1 20 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.581 -0.981 18032
10841 1 20 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.856 -0.656 18032
10842 1 20 . 1 1 79 79 ASN H H 79 7.340 7.340 7.584 -0.244 18032
10843 1 20 . 1 1 80 80 LEU N N 80 124.300 124.300 121.926 2.374 18032
10844 1 20 . 1 1 80 80 LEU HA H 80 4.030 4.030 3.993 0.037 18032
10845 1 20 . 1 1 80 80 LEU C C 80 178.700 178.700 178.070 0.630 18032
10846 1 20 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.059 0.741 18032
10847 1 20 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.681 -0.881 18032
10848 1 20 . 1 1 80 80 LEU H H 80 8.260 8.260 8.532 -0.272 18032
10849 1 20 . 1 1 81 81 ALA N N 81 118.100 118.100 120.698 -2.598 18032
10850 1 20 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.881 -0.011 18032
10851 1 20 . 1 1 81 81 ALA C C 81 177.600 177.600 179.059 -1.459 18032
10852 1 20 . 1 1 81 81 ALA CA C 81 55.200 55.200 55.029 0.171 18032
10853 1 20 . 1 1 81 81 ALA CB C 81 17.300 17.300 17.945 -0.645 18032
10854 1 20 . 1 1 81 81 ALA H H 81 8.580 8.580 7.972 0.608 18032
10855 1 20 . 1 1 82 82 ALA N N 82 119.800 119.800 120.977 -1.177 18032
10856 1 20 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.033 0.177 18032
10857 1 20 . 1 1 82 82 ALA C C 82 180.700 180.700 179.849 0.851 18032
10858 1 20 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.901 0.499 18032
10859 1 20 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.190 -0.290 18032
10860 1 20 . 1 1 82 82 ALA H H 82 7.230 7.230 7.686 -0.456 18032
10861 1 20 . 1 1 83 83 ARG N N 83 118.300 118.300 118.506 -0.206 18032
10862 1 20 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.099 0.241 18032
10863 1 20 . 1 1 83 83 ARG C C 83 180.500 180.500 179.089 1.411 18032
10864 1 20 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.182 0.318 18032
10865 1 20 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.738 2.163 18032
10866 1 20 . 1 1 83 83 ARG H H 83 8.510 8.510 7.580 0.930 18032
10867 1 20 . 1 1 84 84 ILE N N 84 121.300 121.300 120.425 0.875 18032
10868 1 20 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.646 -0.266 18032
10869 1 20 . 1 1 84 84 ILE C C 84 177.300 177.300 177.698 -0.398 18032
10870 1 20 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.448 0.752 18032
10871 1 20 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.444 0.256 18032
10872 1 20 . 1 1 84 84 ILE H H 84 8.340 8.340 8.162 0.178 18032
10873 1 20 . 1 1 85 85 ASP N N 85 120.200 120.200 119.661 0.539 18032
10874 1 20 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.244 0.166 18032
10875 1 20 . 1 1 85 85 ASP C C 85 180.200 180.200 178.095 2.105 18032
10876 1 20 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.453 0.547 18032
10877 1 20 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.827 -1.327 18032
10878 1 20 . 1 1 85 85 ASP H H 85 8.330 8.330 7.952 0.378 18032
10879 1 20 . 1 1 86 86 GLU N N 86 121.100 121.100 120.094 1.006 18032
10880 1 20 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.045 0.075 18032
10881 1 20 . 1 1 86 86 GLU C C 86 179.800 179.800 178.962 0.838 18032
10882 1 20 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.314 -0.014 18032
10883 1 20 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.622 -0.122 18032
10884 1 20 . 1 1 86 86 GLU H H 86 8.060 8.060 7.818 0.242 18032
10885 1 20 . 1 1 87 87 LEU N N 87 122.700 122.700 119.155 3.545 18032
10886 1 20 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.051 0.148 18032
10887 1 20 . 1 1 87 87 LEU C C 87 180.500 180.500 179.170 1.330 18032
10888 1 20 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.452 0.748 18032
10889 1 20 . 1 1 87 87 LEU CB C 87 42.100 42.100 42.117 -0.017 18032
10890 1 20 . 1 1 87 87 LEU H H 87 8.090 8.090 7.652 0.438 18032
10891 1 20 . 1 1 88 88 VAL N N 88 122.800 122.800 119.160 3.640 18032
10892 1 20 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.636 -0.096 18032
10893 1 20 . 1 1 88 88 VAL C C 88 179.200 179.200 177.886 1.314 18032
10894 1 20 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.311 0.489 18032
10895 1 20 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.414 0.886 18032
10896 1 20 . 1 1 88 88 VAL H H 88 9.030 9.030 7.936 1.094 18032
10897 1 20 . 1 1 89 89 ALA N N 89 122.900 122.900 122.776 0.124 18032
10898 1 20 . 1 1 89 89 ALA HA H 89 4.220 4.220 3.989 0.231 18032
10899 1 20 . 1 1 89 89 ALA C C 89 180.000 180.000 178.734 1.266 18032
10900 1 20 . 1 1 89 89 ALA CA C 89 54.700 54.700 54.863 -0.163 18032
10901 1 20 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.373 -0.373 18032
10902 1 20 . 1 1 89 89 ALA H H 89 8.170 8.170 7.871 0.299 18032
10903 1 20 . 1 1 90 90 ALA N N 90 120.100 120.100 120.023 0.077 18032
10904 1 20 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.121 0.149 18032
10905 1 20 . 1 1 90 90 ALA C C 90 179.200 179.200 179.321 -0.121 18032
10906 1 20 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.630 -0.730 18032
10907 1 20 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.483 0.017 18032
10908 1 20 . 1 1 90 90 ALA H H 90 7.820 7.820 7.762 0.058 18032
10909 1 20 . 1 1 91 91 LYS N N 91 118.900 118.900 119.539 -0.639 18032
10910 1 20 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.136 0.054 18032
10911 1 20 . 1 1 91 91 LYS C C 91 178.400 178.400 179.678 -1.278 18032
10912 1 20 . 1 1 91 91 LYS CA C 91 58.500 58.500 58.974 -0.474 18032
10913 1 20 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.295 0.105 18032
10914 1 20 . 1 1 91 91 LYS H H 91 7.660 7.660 7.925 -0.265 18032
10915 1 20 . 1 1 92 92 GLY N N 92 107.200 107.200 106.666 0.534 18032
10916 1 20 . 1 1 92 92 GLY C C 92 174.700 174.700 174.662 0.038 18032
10917 1 20 . 1 1 92 92 GLY CA C 92 46.000 46.000 46.548 -0.548 18032
10918 1 20 . 1 1 92 92 GLY H H 92 8.090 8.090 8.115 -0.025 18032
10919 1 20 . 1 1 93 93 ALA N N 93 123.300 123.300 120.509 2.791 18032
10920 1 20 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.502 -0.182 18032
10921 1 20 . 1 1 93 93 ALA C C 93 178.300 178.300 176.424 1.876 18032
10922 1 20 . 1 1 93 93 ALA CA C 93 53.100 53.100 51.503 1.597 18032
10923 1 20 . 1 1 93 93 ALA CB C 93 19.000 19.000 20.420 -1.420 18032
10924 1 20 . 1 1 93 93 ALA H H 93 7.900 7.900 7.327 0.573 18032
10925 1 20 . 1 1 94 94 LEU N N 94 119.800 119.800 118.698 1.102 18032
10926 1 20 . 1 1 94 94 LEU HA H 94 4.290 4.290 3.999 0.291 18032
10927 1 20 . 1 1 94 94 LEU C C 94 177.900 177.900 175.916 1.984 18032
10928 1 20 . 1 1 94 94 LEU CA C 94 55.900 55.900 55.280 0.620 18032
10929 1 20 . 1 1 94 94 LEU CB C 94 42.300 42.300 39.649 2.651 18032
10930 1 20 . 1 1 94 94 LEU H H 94 7.940 7.940 7.530 0.410 18032
10931 1 20 . 1 1 95 95 GLU N N 95 120.100 120.100 119.020 1.080 18032
10932 1 20 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.342 -0.152 18032
10933 1 20 . 1 1 95 95 GLU C C 95 176.500 176.500 176.631 -0.131 18032
10934 1 20 . 1 1 95 95 GLU CA C 95 56.900 56.900 55.895 1.005 18032
10935 1 20 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.133 1.067 18032
10936 1 20 . 1 1 95 95 GLU H H 95 8.130 8.130 7.795 0.335 18032
10937 1 20 . 1 1 96 96 HIS N N 96 119.200 119.200 126.447 -7.247 18032
10938 1 20 . 1 1 96 96 HIS CA C 96 56.300 56.300 55.693 0.607 18032
10939 1 20 . 1 1 96 96 HIS CB C 96 30.300 30.300 29.426 0.874 18032
10940 1 20 . 1 1 96 96 HIS H H 96 8.160 8.160 8.770 -0.610 18032
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 91 2.532 0.165 2.541 18032
2 1 1 "Average Difference" HA 98 0.237 -0.015 0.237 18032
3 1 1 "Average Difference" C 89 1.296 -0.154 1.294 18032
4 1 1 "Average Difference" CA 95 0.915 -0.209 0.896 18032
5 1 1 "Average Difference" CB 91 0.986 -0.193 0.972 18032
6 1 1 "Average Difference" HN 91 0.577 -0.191 0.547 18032
7 1 2 "Average Difference" N 91 2.302 0.155 2.309 18032
8 1 2 "Average Difference" HA 98 0.213 0.005 0.214 18032
9 1 2 "Average Difference" C 89 1.332 -0.125 1.334 18032
10 1 2 "Average Difference" CA 95 0.889 -0.168 0.878 18032
11 1 2 "Average Difference" CB 91 1.103 -0.188 1.093 18032
12 1 2 "Average Difference" HN 91 0.613 -0.203 0.582 18032
13 1 3 "Average Difference" N 91 2.412 -0.016 2.426 18032
14 1 3 "Average Difference" HA 98 0.246 -0.004 0.247 18032
15 1 3 "Average Difference" C 89 1.264 -0.121 1.266 18032
16 1 3 "Average Difference" CA 95 0.881 -0.236 0.853 18032
17 1 3 "Average Difference" CB 91 1.048 -0.226 1.029 18032
18 1 3 "Average Difference" HN 91 0.595 -0.186 0.568 18032
19 1 4 "Average Difference" N 91 2.548 -0.037 2.562 18032
20 1 4 "Average Difference" HA 98 0.228 -0.017 0.229 18032
21 1 4 "Average Difference" C 89 1.331 -0.203 1.323 18032
22 1 4 "Average Difference" CA 95 0.839 -0.207 0.818 18032
23 1 4 "Average Difference" CB 91 0.966 -0.176 0.955 18032
24 1 4 "Average Difference" HN 91 0.599 -0.210 0.565 18032
25 1 5 "Average Difference" N 91 2.492 0.097 2.504 18032
26 1 5 "Average Difference" HA 98 0.215 0.003 0.216 18032
27 1 5 "Average Difference" C 89 1.350 -0.166 1.347 18032
28 1 5 "Average Difference" CA 95 0.892 -0.210 0.872 18032
29 1 5 "Average Difference" CB 91 1.039 -0.119 1.038 18032
30 1 5 "Average Difference" HN 91 0.615 -0.213 0.580 18032
31 1 6 "Average Difference" N 91 2.451 0.129 2.461 18032
32 1 6 "Average Difference" HA 98 0.223 -0.016 0.223 18032
33 1 6 "Average Difference" C 89 1.293 -0.131 1.293 18032
34 1 6 "Average Difference" CA 95 0.954 -0.146 0.948 18032
35 1 6 "Average Difference" CB 91 1.020 -0.232 0.999 18032
36 1 6 "Average Difference" HN 91 0.576 -0.195 0.545 18032
37 1 7 "Average Difference" N 91 2.243 0.105 2.253 18032
38 1 7 "Average Difference" HA 98 0.217 -0.003 0.218 18032
39 1 7 "Average Difference" C 89 1.345 -0.178 1.341 18032
40 1 7 "Average Difference" CA 95 0.843 -0.198 0.824 18032
41 1 7 "Average Difference" CB 91 0.945 -0.151 0.937 18032
42 1 7 "Average Difference" HN 91 0.587 -0.182 0.561 18032
43 1 8 "Average Difference" N 91 2.303 0.050 2.315 18032
44 1 8 "Average Difference" HA 98 0.227 0.001 0.228 18032
45 1 8 "Average Difference" C 89 1.294 -0.096 1.298 18032
46 1 8 "Average Difference" CA 95 0.896 -0.227 0.871 18032
47 1 8 "Average Difference" CB 91 1.066 -0.183 1.056 18032
48 1 8 "Average Difference" HN 91 0.602 -0.223 0.562 18032
49 1 9 "Average Difference" N 91 2.501 0.138 2.511 18032
50 1 9 "Average Difference" HA 98 0.214 -0.017 0.215 18032
51 1 9 "Average Difference" C 89 1.272 -0.133 1.272 18032
52 1 9 "Average Difference" CA 95 0.884 -0.124 0.880 18032
53 1 9 "Average Difference" CB 91 0.940 -0.158 0.931 18032
54 1 9 "Average Difference" HN 91 0.593 -0.237 0.547 18032
55 1 10 "Average Difference" N 91 2.580 0.282 2.578 18032
56 1 10 "Average Difference" HA 98 0.207 0.010 0.207 18032
57 1 10 "Average Difference" C 89 1.310 -0.138 1.310 18032
58 1 10 "Average Difference" CA 95 0.894 -0.196 0.877 18032
59 1 10 "Average Difference" CB 91 0.978 -0.103 0.978 18032
60 1 10 "Average Difference" HN 91 0.615 -0.210 0.582 18032
61 1 11 "Average Difference" N 91 2.508 0.193 2.514 18032
62 1 11 "Average Difference" HA 98 0.218 -0.018 0.218 18032
63 1 11 "Average Difference" C 89 1.370 -0.152 1.369 18032
64 1 11 "Average Difference" CA 95 0.839 -0.180 0.824 18032
65 1 11 "Average Difference" CB 91 1.029 -0.188 1.018 18032
66 1 11 "Average Difference" HN 91 0.587 -0.195 0.556 18032
67 1 12 "Average Difference" N 91 2.260 -0.000 2.273 18032
68 1 12 "Average Difference" HA 98 0.222 -0.002 0.223 18032
69 1 12 "Average Difference" C 89 1.256 -0.172 1.252 18032
70 1 12 "Average Difference" CA 95 0.863 -0.214 0.841 18032
71 1 12 "Average Difference" CB 91 0.943 -0.184 0.930 18032
72 1 12 "Average Difference" HN 91 0.610 -0.217 0.574 18032
73 1 13 "Average Difference" N 91 2.598 0.411 2.580 18032
74 1 13 "Average Difference" HA 98 0.226 -0.013 0.227 18032
75 1 13 "Average Difference" C 89 1.238 -0.133 1.238 18032
76 1 13 "Average Difference" CA 95 0.873 -0.135 0.867 18032
77 1 13 "Average Difference" CB 91 1.027 -0.277 0.994 18032
78 1 13 "Average Difference" HN 91 0.622 -0.224 0.583 18032
79 1 14 "Average Difference" N 91 2.709 -0.081 2.723 18032
80 1 14 "Average Difference" HA 98 0.215 0.009 0.216 18032
81 1 14 "Average Difference" C 89 1.294 -0.096 1.297 18032
82 1 14 "Average Difference" CA 95 0.932 -0.119 0.929 18032
83 1 14 "Average Difference" CB 91 0.962 -0.156 0.955 18032
84 1 14 "Average Difference" HN 91 0.602 -0.208 0.568 18032
85 1 15 "Average Difference" N 91 2.571 0.347 2.562 18032
86 1 15 "Average Difference" HA 98 0.228 -0.014 0.228 18032
87 1 15 "Average Difference" C 89 1.346 -0.130 1.347 18032
88 1 15 "Average Difference" CA 95 0.949 -0.227 0.926 18032
89 1 15 "Average Difference" CB 91 0.939 -0.225 0.916 18032
90 1 15 "Average Difference" HN 91 0.624 -0.217 0.588 18032
91 1 16 "Average Difference" N 91 2.300 -0.079 2.312 18032
92 1 16 "Average Difference" HA 98 0.252 -0.022 0.252 18032
93 1 16 "Average Difference" C 89 1.321 -0.094 1.325 18032
94 1 16 "Average Difference" CA 95 1.022 -0.198 1.008 18032
95 1 16 "Average Difference" CB 91 1.039 -0.224 1.020 18032
96 1 16 "Average Difference" HN 91 0.616 -0.245 0.568 18032
97 1 17 "Average Difference" N 91 2.666 0.178 2.675 18032
98 1 17 "Average Difference" HA 98 0.218 -0.005 0.219 18032
99 1 17 "Average Difference" C 89 1.338 -0.163 1.336 18032
100 1 17 "Average Difference" CA 95 0.840 -0.151 0.830 18032
101 1 17 "Average Difference" CB 91 1.048 -0.177 1.039 18032
102 1 17 "Average Difference" HN 91 0.609 -0.192 0.581 18032
103 1 18 "Average Difference" N 91 2.494 0.027 2.508 18032
104 1 18 "Average Difference" HA 98 0.229 -0.005 0.230 18032
105 1 18 "Average Difference" C 89 1.298 -0.185 1.292 18032
106 1 18 "Average Difference" CA 95 0.886 -0.238 0.858 18032
107 1 18 "Average Difference" CB 91 1.013 -0.149 1.007 18032
108 1 18 "Average Difference" HN 91 0.602 -0.199 0.571 18032
109 1 19 "Average Difference" N 91 2.325 0.108 2.335 18032
110 1 19 "Average Difference" HA 98 0.225 -0.019 0.226 18032
111 1 19 "Average Difference" C 89 1.275 -0.108 1.278 18032
112 1 19 "Average Difference" CA 95 0.808 -0.224 0.781 18032
113 1 19 "Average Difference" CB 91 0.955 -0.159 0.947 18032
114 1 19 "Average Difference" HN 91 0.598 -0.230 0.555 18032
115 1 20 "Average Difference" N 91 2.365 -0.005 2.378 18032
116 1 20 "Average Difference" HA 98 0.203 -0.017 0.203 18032
117 1 20 "Average Difference" C 89 1.343 -0.135 1.344 18032
118 1 20 "Average Difference" CA 95 0.788 -0.192 0.768 18032
119 1 20 "Average Difference" CB 91 1.053 -0.243 1.030 18032
120 1 20 "Average Difference" HN 91 0.606 -0.195 0.576 18032
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 18032
_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 THR HA H 2 4.580 4.580 4.454 0.126 18032
2 1 . 1 1 2 2 THR C C 2 174.500 174.500 173.966 0.534 18032
3 1 . 1 1 2 2 THR CA C 2 61.700 61.700 62.260 -0.560 18032
4 1 . 1 1 2 2 THR CB C 2 70.400 70.400 69.122 1.278 18032
5 1 . 1 1 3 3 SER N N 3 120.600 120.600 119.961 0.639 18032
6 1 . 1 1 3 3 SER HA H 3 4.770 4.770 4.663 0.107 18032
7 1 . 1 1 3 3 SER C C 3 175.100 175.100 175.518 -0.418 18032
8 1 . 1 1 3 3 SER CA C 3 58.300 58.300 57.962 0.338 18032
9 1 . 1 1 3 3 SER CB C 3 65.000 65.000 64.452 0.548 18032
10 1 . 1 1 3 3 SER H H 3 9.090 9.090 8.337 0.753 18032
11 1 . 1 1 4 4 THR N N 4 120.500 120.500 120.080 0.420 18032
12 1 . 1 1 4 4 THR HA H 4 4.230 4.230 4.398 -0.168 18032
13 1 . 1 1 4 4 THR C C 4 176.200 176.200 176.356 -0.156 18032
14 1 . 1 1 4 4 THR CA C 4 67.700 67.700 66.643 1.057 18032
15 1 . 1 1 4 4 THR CB C 4 67.500 67.500 68.886 -1.386 18032
16 1 . 1 1 4 4 THR H H 4 8.890 8.890 8.765 0.125 18032
17 1 . 1 1 5 5 PHE N N 5 121.100 121.100 121.902 -0.802 18032
18 1 . 1 1 5 5 PHE HA H 5 3.800 3.800 4.253 -0.453 18032
19 1 . 1 1 5 5 PHE CA C 5 62.700 62.700 61.147 1.553 18032
20 1 . 1 1 5 5 PHE CB C 5 38.700 38.700 38.730 -0.030 18032
21 1 . 1 1 5 5 PHE H H 5 9.110 9.110 8.361 0.749 18032
22 1 . 1 1 6 6 ASP N N 6 119.800 119.800 118.962 0.838 18032
23 1 . 1 1 6 6 ASP HA H 6 3.840 3.840 4.056 -0.216 18032
24 1 . 1 1 6 6 ASP C C 6 179.200 179.200 178.467 0.733 18032
25 1 . 1 1 6 6 ASP CA C 6 57.900 57.900 57.922 -0.022 18032
26 1 . 1 1 6 6 ASP CB C 6 40.900 40.900 40.555 0.345 18032
27 1 . 1 1 6 6 ASP H H 6 8.120 8.120 8.227 -0.107 18032
28 1 . 1 1 7 7 ARG N N 7 119.200 119.200 119.299 -0.099 18032
29 1 . 1 1 7 7 ARG HA H 7 4.070 4.070 4.052 0.018 18032
30 1 . 1 1 7 7 ARG C C 7 179.400 179.400 178.829 0.571 18032
31 1 . 1 1 7 7 ARG CA C 7 59.300 59.300 58.483 0.817 18032
32 1 . 1 1 7 7 ARG CB C 7 31.100 31.100 29.805 1.295 18032
33 1 . 1 1 7 7 ARG H H 7 8.020 8.020 7.795 0.225 18032
34 1 . 1 1 8 8 VAL N N 8 120.600 120.600 119.840 0.760 18032
35 1 . 1 1 8 8 VAL HA H 8 3.510 3.510 3.728 -0.218 18032
36 1 . 1 1 8 8 VAL C C 8 176.800 176.800 177.861 -1.061 18032
37 1 . 1 1 8 8 VAL CA C 8 67.000 67.000 66.526 0.474 18032
38 1 . 1 1 8 8 VAL CB C 8 31.600 31.600 31.287 0.313 18032
39 1 . 1 1 8 8 VAL H H 8 8.520 8.520 8.220 0.301 18032
40 1 . 1 1 9 9 ALA N N 9 122.800 122.800 121.381 1.419 18032
41 1 . 1 1 9 9 ALA HA H 9 3.670 3.670 3.873 -0.203 18032
42 1 . 1 1 9 9 ALA C C 9 179.000 179.000 179.558 -0.558 18032
43 1 . 1 1 9 9 ALA CA C 9 55.800 55.800 55.384 0.416 18032
44 1 . 1 1 9 9 ALA CB C 9 17.200 17.200 17.756 -0.556 18032
45 1 . 1 1 9 9 ALA H H 9 8.920 8.920 8.216 0.704 18032
46 1 . 1 1 10 10 THR N N 10 114.300 114.300 116.117 -1.817 18032
47 1 . 1 1 10 10 THR HA H 10 3.800 3.800 3.956 -0.156 18032
48 1 . 1 1 10 10 THR C C 10 175.500 175.500 176.567 -1.067 18032
49 1 . 1 1 10 10 THR CA C 10 67.400 67.400 67.354 0.046 18032
50 1 . 1 1 10 10 THR CB C 10 68.900 68.900 68.624 0.276 18032
51 1 . 1 1 10 10 THR H H 10 7.790 7.790 7.617 0.173 18032
52 1 . 1 1 11 11 ILE N N 11 122.100 122.100 121.984 0.116 18032
53 1 . 1 1 11 11 ILE HA H 11 3.880 3.880 3.637 0.243 18032
54 1 . 1 1 11 11 ILE C C 11 179.700 179.700 177.960 1.740 18032
55 1 . 1 1 11 11 ILE CA C 11 65.500 65.500 65.702 -0.202 18032
56 1 . 1 1 11 11 ILE CB C 11 38.600 38.600 37.702 0.898 18032
57 1 . 1 1 11 11 ILE H H 11 7.760 7.760 7.952 -0.193 18032
58 1 . 1 1 12 12 ILE N N 12 123.100 123.100 119.640 3.460 18032
59 1 . 1 1 12 12 ILE HA H 12 3.410 3.410 3.658 -0.248 18032
60 1 . 1 1 12 12 ILE C C 12 176.800 176.800 177.801 -1.001 18032
61 1 . 1 1 12 12 ILE CA C 12 67.000 67.000 65.235 1.765 18032
62 1 . 1 1 12 12 ILE CB C 12 37.900 37.900 37.534 0.366 18032
63 1 . 1 1 12 12 ILE H H 12 8.750 8.750 8.002 0.748 18032
64 1 . 1 1 13 13 ALA N N 13 122.600 122.600 122.954 -0.354 18032
65 1 . 1 1 13 13 ALA HA H 13 4.280 4.280 4.295 -0.015 18032
66 1 . 1 1 13 13 ALA C C 13 180.700 180.700 179.852 0.848 18032
67 1 . 1 1 13 13 ALA CA C 13 55.700 55.700 55.107 0.593 18032
68 1 . 1 1 13 13 ALA CB C 13 18.600 18.600 18.338 0.262 18032
69 1 . 1 1 13 13 ALA H H 13 8.430 8.430 7.912 0.518 18032
70 1 . 1 1 14 14 GLU N N 14 114.500 114.500 116.591 -2.091 18032
71 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.162 0.028 18032
72 1 . 1 1 14 14 GLU C C 14 179.100 179.100 178.958 0.142 18032
73 1 . 1 1 14 14 GLU CA C 14 58.400 58.400 58.267 0.133 18032
74 1 . 1 1 14 14 GLU CB C 14 30.000 30.000 29.461 0.539 18032
75 1 . 1 1 14 14 GLU H H 14 8.290 8.290 8.054 0.236 18032
76 1 . 1 1 15 15 THR N N 15 115.500 115.500 114.673 0.827 18032
77 1 . 1 1 15 15 THR HA H 15 4.080 4.080 4.175 -0.095 18032
78 1 . 1 1 15 15 THR C C 15 176.200 176.200 175.854 0.346 18032
79 1 . 1 1 15 15 THR CA C 15 66.500 66.500 65.509 0.991 18032
80 1 . 1 1 15 15 THR CB C 15 69.400 69.400 69.492 -0.092 18032
81 1 . 1 1 15 15 THR H H 15 8.390 8.390 8.221 0.169 18032
82 1 . 1 1 16 16 CYS N N 16 116.000 116.000 118.094 -2.094 18032
83 1 . 1 1 16 16 CYS HA H 16 4.570 4.570 4.666 -0.096 18032
84 1 . 1 1 16 16 CYS C C 16 173.700 173.700 173.713 -0.013 18032
85 1 . 1 1 16 16 CYS CA C 16 59.200 59.200 58.495 0.705 18032
86 1 . 1 1 16 16 CYS CB C 16 29.600 29.600 28.711 0.889 18032
87 1 . 1 1 16 16 CYS H H 16 8.130 8.130 7.933 0.197 18032
88 1 . 1 1 17 17 ASP N N 17 119.900 119.900 120.256 -0.356 18032
89 1 . 1 1 17 17 ASP HA H 17 4.410 4.410 4.472 -0.062 18032
90 1 . 1 1 17 17 ASP C C 17 174.700 174.700 174.764 -0.064 18032
91 1 . 1 1 17 17 ASP CA C 17 55.200 55.200 55.153 0.047 18032
92 1 . 1 1 17 17 ASP CB C 17 38.900 38.900 39.818 -0.918 18032
93 1 . 1 1 17 17 ASP H H 17 7.740 7.740 7.935 -0.195 18032
94 1 . 1 1 18 18 ILE N N 18 119.100 119.100 120.397 -1.297 18032
95 1 . 1 1 18 18 ILE HA H 18 4.590 4.590 4.550 0.040 18032
96 1 . 1 1 18 18 ILE C C 18 179.400 179.400 174.138 5.262 18032
97 1 . 1 1 18 18 ILE CA C 18 57.800 57.800 57.090 0.710 18032
98 1 . 1 1 18 18 ILE CB C 18 42.000 42.000 38.715 3.285 18032
99 1 . 1 1 18 18 ILE H H 18 7.410 7.410 7.521 -0.111 18032
100 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.493 -0.123 18032
101 1 . 1 1 19 19 PRO CA C 19 63.100 63.100 63.196 -0.096 18032
102 1 . 1 1 19 19 PRO CB C 19 32.100 32.100 32.408 -0.308 18032
103 1 . 1 1 20 20 ARG N N 20 129.100 129.100 125.901 3.199 18032
104 1 . 1 1 20 20 ARG HA H 20 3.860 3.860 3.925 -0.065 18032
105 1 . 1 1 20 20 ARG C C 20 178.500 178.500 178.290 0.210 18032
106 1 . 1 1 20 20 ARG CA C 20 58.800 58.800 59.151 -0.351 18032
107 1 . 1 1 20 20 ARG CB C 20 29.500 29.500 29.843 -0.343 18032
108 1 . 1 1 20 20 ARG H H 20 9.150 9.150 8.821 0.329 18032
109 1 . 1 1 21 21 GLU N N 21 117.300 117.300 116.323 0.977 18032
110 1 . 1 1 21 21 GLU HA H 21 4.300 4.300 4.180 0.120 18032
111 1 . 1 1 21 21 GLU C C 21 177.200 177.200 177.314 -0.114 18032
112 1 . 1 1 21 21 GLU CA C 21 58.600 58.600 58.564 0.036 18032
113 1 . 1 1 21 21 GLU CB C 21 28.500 28.500 28.971 -0.471 18032
114 1 . 1 1 21 21 GLU H H 21 9.820 9.820 8.713 1.107 18032
115 1 . 1 1 22 22 THR N N 22 110.200 110.200 109.851 0.349 18032
116 1 . 1 1 22 22 THR HA H 22 4.340 4.340 4.375 -0.035 18032
117 1 . 1 1 22 22 THR C C 22 173.000 173.000 174.547 -1.547 18032
118 1 . 1 1 22 22 THR CA C 22 62.300 62.300 62.068 0.232 18032
119 1 . 1 1 22 22 THR CB C 22 70.000 70.000 69.423 0.577 18032
120 1 . 1 1 22 22 THR H H 22 7.780 7.780 7.637 0.143 18032
121 1 . 1 1 23 23 ILE N N 23 122.600 122.600 125.296 -2.696 18032
122 1 . 1 1 23 23 ILE HA H 23 4.000 4.000 4.274 -0.274 18032
123 1 . 1 1 23 23 ILE C C 23 174.700 174.700 175.319 -0.619 18032
124 1 . 1 1 23 23 ILE CA C 23 62.600 62.600 61.070 1.530 18032
125 1 . 1 1 23 23 ILE CB C 23 38.500 38.500 37.239 1.261 18032
126 1 . 1 1 23 23 ILE H H 23 7.590 7.590 7.332 0.258 18032
127 1 . 1 1 24 24 THR N N 24 118.600 118.600 119.350 -0.750 18032
128 1 . 1 1 24 24 THR HA H 24 5.290 5.290 4.999 0.290 18032
129 1 . 1 1 24 24 THR CA C 24 59.000 59.000 58.893 0.107 18032
130 1 . 1 1 24 24 THR CB C 24 69.800 69.800 69.596 0.204 18032
131 1 . 1 1 24 24 THR H H 24 8.580 8.580 8.168 0.412 18032
132 1 . 1 1 25 25 PRO HA H 25 3.770 3.770 3.703 0.067 18032
133 1 . 1 1 25 25 PRO C C 25 176.200 176.200 177.402 -1.202 18032
134 1 . 1 1 25 25 PRO CA C 25 64.900 64.900 64.716 0.184 18032
135 1 . 1 1 25 25 PRO CB C 25 31.800 31.800 31.429 0.370 18032
136 1 . 1 1 26 26 GLU N N 26 110.900 110.900 114.113 -3.213 18032
137 1 . 1 1 26 26 GLU HA H 26 4.170 4.170 4.313 -0.143 18032
138 1 . 1 1 26 26 GLU C C 26 176.900 176.900 176.057 0.843 18032
139 1 . 1 1 26 26 GLU CA C 26 56.300 56.300 55.593 0.707 18032
140 1 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.077 0.422 18032
141 1 . 1 1 26 26 GLU H H 26 7.380 7.380 8.460 -1.080 18032
142 1 . 1 1 27 27 SER N N 27 118.100 118.100 116.676 1.424 18032
143 1 . 1 1 27 27 SER HA H 27 4.300 4.300 4.488 -0.188 18032
144 1 . 1 1 27 27 SER C C 27 172.100 172.100 173.544 -1.444 18032
145 1 . 1 1 27 27 SER CA C 27 61.000 61.000 58.627 2.373 18032
146 1 . 1 1 27 27 SER CB C 27 64.200 64.200 64.211 -0.011 18032
147 1 . 1 1 27 27 SER H H 27 8.040 8.040 7.472 0.568 18032
148 1 . 1 1 28 28 HIS N N 28 128.200 128.200 126.406 1.794 18032
149 1 . 1 1 28 28 HIS HA H 28 4.740 4.740 4.927 -0.187 18032
150 1 . 1 1 28 28 HIS C C 28 178.200 178.200 175.958 2.242 18032
151 1 . 1 1 28 28 HIS CA C 28 56.300 56.300 56.197 0.103 18032
152 1 . 1 1 28 28 HIS CB C 28 32.600 32.600 31.368 1.232 18032
153 1 . 1 1 28 28 HIS H H 28 10.680 10.680 8.908 1.772 18032
154 1 . 1 1 29 29 ALA N N 29 130.100 130.100 131.556 -1.457 18032
155 1 . 1 1 29 29 ALA HA H 29 3.950 3.950 4.066 -0.116 18032
156 1 . 1 1 29 29 ALA C C 29 175.700 175.700 178.444 -2.744 18032
157 1 . 1 1 29 29 ALA CA C 29 55.900 55.900 55.718 0.182 18032
158 1 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.982 -0.182 18032
159 1 . 1 1 29 29 ALA H H 29 9.270 9.270 8.734 0.536 18032
160 1 . 1 1 30 30 ILE N N 30 113.300 113.300 115.920 -2.620 18032
161 1 . 1 1 30 30 ILE HA H 30 4.210 4.210 4.334 -0.124 18032
162 1 . 1 1 30 30 ILE C C 30 177.200 177.200 177.823 -0.623 18032
163 1 . 1 1 30 30 ILE CA C 30 62.900 62.900 63.770 -0.870 18032
164 1 . 1 1 30 30 ILE CB C 30 39.100 39.100 38.636 0.464 18032
165 1 . 1 1 30 30 ILE H H 30 8.540 8.540 7.736 0.804 18032
166 1 . 1 1 31 31 ASP N N 31 120.600 120.600 119.263 1.337 18032
167 1 . 1 1 31 31 ASP HA H 31 4.180 4.180 4.444 -0.264 18032
168 1 . 1 1 31 31 ASP CA C 31 57.500 57.500 56.938 0.562 18032
169 1 . 1 1 31 31 ASP CB C 31 40.000 40.000 41.130 -1.130 18032
170 1 . 1 1 31 31 ASP H H 31 8.480 8.480 8.386 0.094 18032
171 1 . 1 1 32 32 ASP N N 32 114.200 114.200 119.001 -4.801 18032
172 1 . 1 1 32 32 ASP HA H 32 5.060 5.060 4.650 0.410 18032
173 1 . 1 1 32 32 ASP C C 32 177.500 177.500 178.147 -0.647 18032
174 1 . 1 1 32 32 ASP CA C 32 56.000 56.000 55.754 0.246 18032
175 1 . 1 1 32 32 ASP CB C 32 42.200 42.200 42.040 0.160 18032
176 1 . 1 1 32 32 ASP H H 32 8.450 8.450 7.987 0.463 18032
177 1 . 1 1 33 33 LEU N N 33 114.000 114.000 119.136 -5.136 18032
178 1 . 1 1 33 33 LEU HA H 33 4.470 4.470 4.316 0.154 18032
179 1 . 1 1 33 33 LEU C C 33 177.400 177.400 177.524 -0.124 18032
180 1 . 1 1 33 33 LEU CA C 33 54.900 54.900 55.677 -0.777 18032
181 1 . 1 1 33 33 LEU CB C 33 41.200 41.200 42.632 -1.432 18032
182 1 . 1 1 33 33 LEU H H 33 7.230 7.230 7.984 -0.754 18032
183 1 . 1 1 34 34 GLY N N 34 107.000 107.000 106.941 0.059 18032
184 1 . 1 1 34 34 GLY C C 34 174.500 174.500 174.426 0.074 18032
185 1 . 1 1 34 34 GLY CA C 34 46.900 46.900 45.321 1.579 18032
186 1 . 1 1 34 34 GLY H H 34 7.330 7.330 7.976 -0.646 18032
187 1 . 1 1 35 35 ILE N N 35 120.700 120.700 120.567 0.133 18032
188 1 . 1 1 35 35 ILE HA H 35 4.110 4.110 4.242 -0.132 18032
189 1 . 1 1 35 35 ILE C C 35 175.300 175.300 174.981 0.319 18032
190 1 . 1 1 35 35 ILE CA C 35 62.000 62.000 60.429 1.571 18032
191 1 . 1 1 35 35 ILE CB C 35 37.900 37.900 39.219 -1.319 18032
192 1 . 1 1 35 35 ILE H H 35 7.820 7.820 7.930 -0.110 18032
193 1 . 1 1 36 36 ASP N N 36 126.800 126.800 127.713 -0.913 18032
194 1 . 1 1 36 36 ASP HA H 36 4.840 4.840 4.645 0.195 18032
195 1 . 1 1 36 36 ASP C C 36 177.100 177.100 177.268 -0.168 18032
196 1 . 1 1 36 36 ASP CA C 36 52.600 52.600 54.220 -1.620 18032
197 1 . 1 1 36 36 ASP CB C 36 42.500 42.500 42.770 -0.270 18032
198 1 . 1 1 36 36 ASP H H 36 8.780 8.780 8.303 0.477 18032
199 1 . 1 1 37 37 SER N N 37 114.000 114.000 117.543 -3.543 18032
200 1 . 1 1 37 37 SER HA H 37 4.170 4.170 4.367 -0.198 18032
201 1 . 1 1 37 37 SER C C 37 175.700 175.700 176.709 -1.009 18032
202 1 . 1 1 37 37 SER CA C 37 60.700 60.700 61.461 -0.761 18032
203 1 . 1 1 37 37 SER CB C 37 65.800 65.800 62.901 2.899 18032
204 1 . 1 1 37 37 SER H H 37 8.750 8.750 8.556 0.194 18032
205 1 . 1 1 38 38 LEU N N 38 123.200 123.200 120.807 2.393 18032
206 1 . 1 1 38 38 LEU HA H 38 4.220 4.220 4.118 0.102 18032
207 1 . 1 1 38 38 LEU C C 38 180.200 180.200 178.809 1.391 18032
208 1 . 1 1 38 38 LEU CA C 38 57.800 57.800 57.841 -0.041 18032
209 1 . 1 1 38 38 LEU CB C 38 41.000 41.000 41.291 -0.291 18032
210 1 . 1 1 38 38 LEU H H 38 8.030 8.030 8.207 -0.177 18032
211 1 . 1 1 39 39 ASP N N 39 121.500 121.500 119.113 2.387 18032
212 1 . 1 1 39 39 ASP HA H 39 4.440 4.440 4.533 -0.093 18032
213 1 . 1 1 39 39 ASP C C 39 179.000 179.000 178.680 0.320 18032
214 1 . 1 1 39 39 ASP CA C 39 57.200 57.200 57.447 -0.247 18032
215 1 . 1 1 39 39 ASP CB C 39 41.200 41.200 40.801 0.399 18032
216 1 . 1 1 39 39 ASP H H 39 8.390 8.390 7.764 0.626 18032
217 1 . 1 1 40 40 PHE N N 40 118.900 118.900 121.247 -2.347 18032
218 1 . 1 1 40 40 PHE HA H 40 4.050 4.050 4.355 -0.305 18032
219 1 . 1 1 40 40 PHE C C 40 177.500 177.500 176.902 0.598 18032
220 1 . 1 1 40 40 PHE CA C 40 61.800 61.800 60.565 1.235 18032
221 1 . 1 1 40 40 PHE CB C 40 38.400 38.400 39.386 -0.986 18032
222 1 . 1 1 40 40 PHE H H 40 8.640 8.640 8.161 0.479 18032
223 1 . 1 1 41 41 LEU N N 41 118.800 118.800 120.067 -1.267 18032
224 1 . 1 1 41 41 LEU HA H 41 3.980 3.980 3.789 0.191 18032
225 1 . 1 1 41 41 LEU C C 41 179.300 179.300 178.616 0.684 18032
226 1 . 1 1 41 41 LEU CA C 41 58.400 58.400 58.333 0.067 18032
227 1 . 1 1 41 41 LEU CB C 41 41.000 41.000 41.227 -0.227 18032
228 1 . 1 1 41 41 LEU H H 41 7.660 7.660 8.196 -0.536 18032
229 1 . 1 1 42 42 ASP N N 42 119.700 119.700 119.422 0.278 18032
230 1 . 1 1 42 42 ASP HA H 42 4.590 4.590 4.539 0.051 18032
231 1 . 1 1 42 42 ASP C C 42 179.800 179.800 178.842 0.958 18032
232 1 . 1 1 42 42 ASP CA C 42 57.600 57.600 57.555 0.045 18032
233 1 . 1 1 42 42 ASP CB C 42 40.300 40.300 40.761 -0.461 18032
234 1 . 1 1 42 42 ASP H H 42 7.320 7.320 7.779 -0.459 18032
235 1 . 1 1 43 43 ILE N N 43 122.700 122.700 119.847 2.853 18032
236 1 . 1 1 43 43 ILE HA H 43 3.520 3.520 3.702 -0.182 18032
237 1 . 1 1 43 43 ILE C C 43 177.100 177.100 177.763 -0.663 18032
238 1 . 1 1 43 43 ILE CA C 43 65.200 65.200 64.915 0.285 18032
239 1 . 1 1 43 43 ILE CB C 43 37.900 37.900 37.684 0.216 18032
240 1 . 1 1 43 43 ILE H H 43 8.090 8.090 7.630 0.460 18032
241 1 . 1 1 44 44 ALA N N 44 122.600 122.600 122.369 0.231 18032
242 1 . 1 1 44 44 ALA HA H 44 3.860 3.860 3.944 -0.084 18032
243 1 . 1 1 44 44 ALA C C 44 178.500 178.500 179.555 -1.055 18032
244 1 . 1 1 44 44 ALA CA C 44 55.700 55.700 54.672 1.028 18032
245 1 . 1 1 44 44 ALA CB C 44 18.300 18.300 17.822 0.478 18032
246 1 . 1 1 44 44 ALA H H 44 8.830 8.830 7.692 1.138 18032
247 1 . 1 1 45 45 PHE N N 45 117.300 117.300 118.910 -1.610 18032
248 1 . 1 1 45 45 PHE HA H 45 4.500 4.500 4.191 0.309 18032
249 1 . 1 1 45 45 PHE C C 45 178.300 178.300 177.510 0.790 18032
250 1 . 1 1 45 45 PHE CA C 45 60.600 60.600 61.400 -0.800 18032
251 1 . 1 1 45 45 PHE CB C 45 38.700 38.700 38.649 0.051 18032
252 1 . 1 1 45 45 PHE H H 45 8.090 8.090 8.145 -0.055 18032
253 1 . 1 1 46 46 ALA N N 46 121.600 121.600 122.908 -1.308 18032
254 1 . 1 1 46 46 ALA HA H 46 4.170 4.170 4.100 0.070 18032
255 1 . 1 1 46 46 ALA C C 46 181.400 181.400 179.653 1.747 18032
256 1 . 1 1 46 46 ALA CA C 46 55.000 55.000 55.102 -0.102 18032
257 1 . 1 1 46 46 ALA CB C 46 19.200 19.200 18.090 1.110 18032
258 1 . 1 1 46 46 ALA H H 46 7.780 7.780 7.828 -0.048 18032
259 1 . 1 1 47 47 ILE N N 47 122.900 122.900 118.938 3.962 18032
260 1 . 1 1 47 47 ILE HA H 47 3.780 3.780 3.784 -0.004 18032
261 1 . 1 1 47 47 ILE C C 47 177.000 177.000 177.551 -0.551 18032
262 1 . 1 1 47 47 ILE CA C 47 66.000 66.000 65.686 0.314 18032
263 1 . 1 1 47 47 ILE CB C 47 38.000 38.000 37.638 0.362 18032
264 1 . 1 1 47 47 ILE H H 47 8.960 8.960 8.012 0.948 18032
265 1 . 1 1 48 48 ASP N N 48 123.900 123.900 120.820 3.080 18032
266 1 . 1 1 48 48 ASP HA H 48 4.370 4.370 4.332 0.038 18032
267 1 . 1 1 48 48 ASP C C 48 180.200 180.200 178.666 1.534 18032
268 1 . 1 1 48 48 ASP CA C 48 57.700 57.700 57.787 -0.087 18032
269 1 . 1 1 48 48 ASP CB C 48 40.300 40.300 40.573 -0.273 18032
270 1 . 1 1 48 48 ASP H H 48 8.950 8.950 8.143 0.807 18032
271 1 . 1 1 49 49 LYS N N 49 117.500 117.500 118.454 -0.954 18032
272 1 . 1 1 49 49 LYS HA H 49 4.020 4.020 4.087 -0.067 18032
273 1 . 1 1 49 49 LYS C C 49 178.800 178.800 179.062 -0.262 18032
274 1 . 1 1 49 49 LYS CA C 49 58.600 58.600 58.756 -0.156 18032
275 1 . 1 1 49 49 LYS CB C 49 32.600 32.600 32.506 0.094 18032
276 1 . 1 1 49 49 LYS H H 49 7.590 7.590 7.752 -0.162 18032
277 1 . 1 1 50 50 ALA N N 50 121.100 121.100 122.240 -1.140 18032
278 1 . 1 1 50 50 ALA HA H 50 4.030 4.030 4.116 -0.086 18032
279 1 . 1 1 50 50 ALA C C 50 179.400 179.400 179.243 0.157 18032
280 1 . 1 1 50 50 ALA CA C 50 54.600 54.600 54.532 0.068 18032
281 1 . 1 1 50 50 ALA CB C 50 19.100 19.100 18.645 0.455 18032
282 1 . 1 1 50 50 ALA H H 50 8.180 8.180 7.683 0.497 18032
283 1 . 1 1 51 51 PHE N N 51 111.600 111.600 115.137 -3.537 18032
284 1 . 1 1 51 51 PHE HA H 51 4.540 4.540 4.500 0.040 18032
285 1 . 1 1 51 51 PHE C C 51 176.200 176.200 175.942 0.258 18032
286 1 . 1 1 51 51 PHE CA C 51 58.400 58.400 58.590 -0.190 18032
287 1 . 1 1 51 51 PHE CB C 51 40.500 40.500 39.360 1.140 18032
288 1 . 1 1 51 51 PHE H H 51 8.620 8.620 8.106 0.514 18032
289 1 . 1 1 52 52 GLY N N 52 112.100 112.100 107.729 4.371 18032
290 1 . 1 1 52 52 GLY C C 52 174.900 174.900 174.347 0.553 18032
291 1 . 1 1 52 52 GLY CA C 52 47.500 47.500 45.760 1.740 18032
292 1 . 1 1 52 52 GLY H H 52 8.140 8.140 7.799 0.341 18032
293 1 . 1 1 53 53 ILE N N 53 111.000 111.000 113.980 -2.980 18032
294 1 . 1 1 53 53 ILE HA H 53 4.670 4.670 4.514 0.156 18032
295 1 . 1 1 53 53 ILE C C 53 173.500 173.500 173.942 -0.442 18032
296 1 . 1 1 53 53 ILE CA C 53 58.600 58.600 58.771 -0.171 18032
297 1 . 1 1 53 53 ILE CB C 53 42.900 42.900 40.200 2.700 18032
298 1 . 1 1 53 53 ILE H H 53 7.520 7.520 7.589 -0.069 18032
299 1 . 1 1 54 54 LYS N N 54 119.600 119.600 120.889 -1.289 18032
300 1 . 1 1 54 54 LYS HA H 54 4.610 4.610 4.621 -0.011 18032
301 1 . 1 1 54 54 LYS C C 54 175.900 175.900 175.556 0.344 18032
302 1 . 1 1 54 54 LYS CA C 54 53.300 53.300 54.652 -1.352 18032
303 1 . 1 1 54 54 LYS CB C 54 33.000 33.000 33.548 -0.548 18032
304 1 . 1 1 54 54 LYS H H 54 7.940 7.940 8.177 -0.237 18032
305 1 . 1 1 55 55 LEU N N 55 130.800 130.800 126.610 4.190 18032
306 1 . 1 1 55 55 LEU HA H 55 3.850 3.850 4.383 -0.533 18032
307 1 . 1 1 55 55 LEU CA C 55 53.300 53.300 52.293 1.007 18032
308 1 . 1 1 55 55 LEU CB C 55 42.000 42.000 41.731 0.269 18032
309 1 . 1 1 55 55 LEU H H 55 10.700 10.700 8.299 2.401 18032
310 1 . 1 1 56 56 PRO HA H 56 4.600 4.600 4.184 0.416 18032
311 1 . 1 1 56 56 PRO C C 56 174.600 174.600 175.890 -1.290 18032
312 1 . 1 1 56 56 PRO CA C 56 61.500 61.500 62.031 -0.531 18032
313 1 . 1 1 56 56 PRO CB C 56 27.500 27.500 29.908 -2.408 18032
314 1 . 1 1 57 57 LEU N N 57 121.300 121.300 122.234 -0.934 18032
315 1 . 1 1 57 57 LEU HA H 57 3.410 3.410 3.658 -0.248 18032
316 1 . 1 1 57 57 LEU C C 57 179.100 179.100 178.010 1.090 18032
317 1 . 1 1 57 57 LEU CA C 57 58.200 58.200 57.927 0.273 18032
318 1 . 1 1 57 57 LEU CB C 57 42.100 42.100 41.613 0.487 18032
319 1 . 1 1 57 57 LEU H H 57 7.490 7.490 7.604 -0.114 18032
320 1 . 1 1 58 58 GLU N N 58 119.200 119.200 118.484 0.716 18032
321 1 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.951 0.029 18032
322 1 . 1 1 58 58 GLU C C 58 178.500 178.500 178.682 -0.182 18032
323 1 . 1 1 58 58 GLU CA C 58 59.900 59.900 59.815 0.085 18032
324 1 . 1 1 58 58 GLU CB C 58 28.700 28.700 28.865 -0.165 18032
325 1 . 1 1 58 58 GLU H H 58 8.860 8.860 8.517 0.343 18032
326 1 . 1 1 59 59 LYS N N 59 122.100 122.100 120.414 1.686 18032
327 1 . 1 1 59 59 LYS HA H 59 4.100 4.100 4.068 0.032 18032
328 1 . 1 1 59 59 LYS C C 59 178.700 178.700 178.872 -0.172 18032
329 1 . 1 1 59 59 LYS CA C 59 58.900 58.900 59.183 -0.283 18032
330 1 . 1 1 59 59 LYS CB C 59 32.200 32.200 32.069 0.131 18032
331 1 . 1 1 59 59 LYS H H 59 7.420 7.420 7.791 -0.371 18032
332 1 . 1 1 60 60 TRP N N 60 120.000 120.000 118.562 1.438 18032
333 1 . 1 1 60 60 TRP HA H 60 4.200 4.200 4.459 -0.259 18032
334 1 . 1 1 60 60 TRP C C 60 178.300 178.300 179.371 -1.071 18032
335 1 . 1 1 60 60 TRP CA C 60 57.700 57.700 57.813 -0.113 18032
336 1 . 1 1 60 60 TRP CB C 60 28.600 28.600 27.972 0.628 18032
337 1 . 1 1 60 60 TRP H H 60 8.140 8.140 8.037 0.103 18032
338 1 . 1 1 61 61 THR N N 61 113.200 113.200 115.958 -2.758 18032
339 1 . 1 1 61 61 THR HA H 61 3.870 3.870 4.152 -0.282 18032
340 1 . 1 1 61 61 THR C C 61 176.300 176.300 176.995 -0.695 18032
341 1 . 1 1 61 61 THR CA C 61 67.100 67.100 67.250 -0.150 18032
342 1 . 1 1 61 61 THR CB C 61 68.900 68.900 68.517 0.383 18032
343 1 . 1 1 61 61 THR H H 61 8.390 8.390 8.293 0.097 18032
344 1 . 1 1 62 62 GLN N N 62 122.300 122.300 120.553 1.747 18032
345 1 . 1 1 62 62 GLN HA H 62 4.040 4.040 4.153 -0.112 18032
346 1 . 1 1 62 62 GLN C C 62 177.900 177.900 178.477 -0.577 18032
347 1 . 1 1 62 62 GLN CA C 62 59.000 59.000 58.911 0.089 18032
348 1 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.351 -0.251 18032
349 1 . 1 1 62 62 GLN H H 62 7.810 7.810 7.810 -0.000 18032
350 1 . 1 1 63 63 GLU N N 63 119.000 119.000 120.635 -1.635 18032
351 1 . 1 1 63 63 GLU HA H 63 4.070 4.070 4.114 -0.044 18032
352 1 . 1 1 63 63 GLU C C 63 180.000 180.000 179.458 0.542 18032
353 1 . 1 1 63 63 GLU CA C 63 60.200 60.200 59.445 0.755 18032
354 1 . 1 1 63 63 GLU CB C 63 30.400 30.400 29.710 0.690 18032
355 1 . 1 1 63 63 GLU H H 63 8.410 8.410 8.102 0.308 18032
356 1 . 1 1 64 64 VAL N N 64 119.600 119.600 120.415 -0.815 18032
357 1 . 1 1 64 64 VAL HA H 64 4.120 4.120 4.043 0.077 18032
358 1 . 1 1 64 64 VAL C C 64 180.600 180.600 178.643 1.957 18032
359 1 . 1 1 64 64 VAL CA C 64 65.400 65.400 66.371 -0.971 18032
360 1 . 1 1 64 64 VAL CB C 64 31.900 31.900 31.753 0.147 18032
361 1 . 1 1 64 64 VAL H H 64 8.170 8.170 8.199 -0.029 18032
362 1 . 1 1 65 65 ASN N N 65 121.700 121.700 118.632 3.068 18032
363 1 . 1 1 65 65 ASN HA H 65 4.510 4.510 4.545 -0.035 18032
364 1 . 1 1 65 65 ASN C C 65 177.300 177.300 176.622 0.678 18032
365 1 . 1 1 65 65 ASN CA C 65 56.300 56.300 55.802 0.498 18032
366 1 . 1 1 65 65 ASN CB C 65 38.100 38.100 38.300 -0.200 18032
367 1 . 1 1 65 65 ASN H H 65 8.550 8.550 8.118 0.432 18032
368 1 . 1 1 66 66 ASP N N 66 118.000 118.000 117.618 0.382 18032
369 1 . 1 1 66 66 ASP HA H 66 4.770 4.770 4.759 0.011 18032
370 1 . 1 1 66 66 ASP C C 66 177.000 177.000 176.821 0.179 18032
371 1 . 1 1 66 66 ASP CA C 66 54.800 54.800 54.046 0.754 18032
372 1 . 1 1 66 66 ASP CB C 66 41.300 41.300 41.200 0.100 18032
373 1 . 1 1 66 66 ASP H H 66 8.470 8.470 7.922 0.548 18032
374 1 . 1 1 67 67 GLY N N 67 108.600 108.600 107.816 0.784 18032
375 1 . 1 1 67 67 GLY C C 67 174.800 174.800 175.633 -0.833 18032
376 1 . 1 1 67 67 GLY CA C 67 46.000 46.000 45.983 0.017 18032
377 1 . 1 1 67 67 GLY H H 67 8.100 8.100 7.692 0.408 18032
378 1 . 1 1 68 68 LYS N N 68 118.900 118.900 119.256 -0.356 18032
379 1 . 1 1 68 68 LYS HA H 68 4.310 4.310 4.192 0.118 18032
380 1 . 1 1 68 68 LYS C C 68 175.100 175.100 176.587 -1.487 18032
381 1 . 1 1 68 68 LYS CA C 68 56.400 56.400 57.300 -0.900 18032
382 1 . 1 1 68 68 LYS CB C 68 33.500 33.500 33.129 0.371 18032
383 1 . 1 1 68 68 LYS H H 68 8.400 8.400 8.157 0.243 18032
384 1 . 1 1 69 69 ALA N N 69 120.400 120.400 120.720 -0.320 18032
385 1 . 1 1 69 69 ALA HA H 69 4.630 4.630 4.712 -0.082 18032
386 1 . 1 1 69 69 ALA C C 69 175.900 175.900 175.807 0.093 18032
387 1 . 1 1 69 69 ALA CA C 69 50.500 50.500 50.960 -0.460 18032
388 1 . 1 1 69 69 ALA CB C 69 24.000 24.000 21.662 2.338 18032
389 1 . 1 1 69 69 ALA H H 69 7.490 7.490 7.619 -0.129 18032
390 1 . 1 1 70 70 THR N N 70 109.700 109.700 114.097 -4.397 18032
391 1 . 1 1 70 70 THR HA H 70 4.750 4.750 4.543 0.207 18032
392 1 . 1 1 70 70 THR C C 70 175.600 175.600 176.115 -0.515 18032
393 1 . 1 1 70 70 THR CA C 70 59.600 59.600 61.441 -1.841 18032
394 1 . 1 1 70 70 THR CB C 70 70.700 70.700 70.712 -0.012 18032
395 1 . 1 1 70 70 THR H H 70 7.930 7.930 8.293 -0.363 18032
396 1 . 1 1 71 71 THR N N 71 111.300 111.300 115.658 -4.358 18032
397 1 . 1 1 71 71 THR HA H 71 4.110 4.110 4.117 -0.007 18032
398 1 . 1 1 71 71 THR C C 71 177.500 177.500 176.655 0.845 18032
399 1 . 1 1 71 71 THR CA C 71 65.100 65.100 66.115 -1.015 18032
400 1 . 1 1 71 71 THR CB C 71 68.900 68.900 68.690 0.210 18032
401 1 . 1 1 71 71 THR H H 71 9.030 9.030 8.554 0.476 18032
402 1 . 1 1 72 72 GLU N N 72 122.300 122.300 121.357 0.943 18032
403 1 . 1 1 72 72 GLU HA H 72 3.860 3.860 4.113 -0.253 18032
404 1 . 1 1 72 72 GLU C C 72 177.500 177.500 179.040 -1.539 18032
405 1 . 1 1 72 72 GLU CA C 72 59.900 59.900 59.663 0.237 18032
406 1 . 1 1 72 72 GLU CB C 72 29.000 29.000 28.639 0.361 18032
407 1 . 1 1 72 72 GLU H H 72 8.830 8.830 8.886 -0.056 18032
408 1 . 1 1 73 73 GLN N N 73 116.900 116.900 117.649 -0.749 18032
409 1 . 1 1 73 73 GLN HA H 73 3.630 3.630 3.832 -0.202 18032
410 1 . 1 1 73 73 GLN C C 73 174.000 174.000 177.133 -3.133 18032
411 1 . 1 1 73 73 GLN CA C 73 58.000 58.000 58.217 -0.217 18032
412 1 . 1 1 73 73 GLN CB C 73 28.600 28.600 28.392 0.208 18032
413 1 . 1 1 73 73 GLN H H 73 7.280 7.280 7.867 -0.587 18032
414 1 . 1 1 74 74 TYR N N 74 112.700 112.700 113.609 -0.908 18032
415 1 . 1 1 74 74 TYR HA H 74 4.080 4.080 4.169 -0.089 18032
416 1 . 1 1 74 74 TYR C C 74 173.900 173.900 176.228 -2.328 18032
417 1 . 1 1 74 74 TYR CA C 74 56.800 56.800 58.131 -1.331 18032
418 1 . 1 1 74 74 TYR CB C 74 40.300 40.300 39.537 0.763 18032
419 1 . 1 1 74 74 TYR H H 74 6.310 6.310 7.435 -1.125 18032
420 1 . 1 1 75 75 PHE N N 75 108.000 108.000 116.493 -8.493 18032
421 1 . 1 1 75 75 PHE HA H 75 4.660 4.660 4.434 0.226 18032
422 1 . 1 1 75 75 PHE C C 75 177.900 177.900 174.338 3.562 18032
423 1 . 1 1 75 75 PHE CA C 75 57.400 57.400 58.245 -0.845 18032
424 1 . 1 1 75 75 PHE CB C 75 39.700 39.700 39.538 0.162 18032
425 1 . 1 1 75 75 PHE H H 75 7.760 7.760 7.975 -0.215 18032
426 1 . 1 1 76 76 VAL N N 76 120.700 120.700 120.759 -0.059 18032
427 1 . 1 1 76 76 VAL HA H 76 4.770 4.770 4.452 0.318 18032
428 1 . 1 1 76 76 VAL C C 76 180.000 180.000 176.759 3.241 18032
429 1 . 1 1 76 76 VAL CA C 76 62.900 62.900 61.643 1.257 18032
430 1 . 1 1 76 76 VAL CB C 76 31.200 31.200 32.240 -1.040 18032
431 1 . 1 1 76 76 VAL H H 76 7.010 7.010 7.592 -0.582 18032
432 1 . 1 1 77 77 LEU N N 77 131.600 131.600 128.664 2.936 18032
433 1 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.080 -0.050 18032
434 1 . 1 1 77 77 LEU C C 77 179.000 179.000 179.029 -0.029 18032
435 1 . 1 1 77 77 LEU CA C 77 59.100 59.100 58.582 0.518 18032
436 1 . 1 1 77 77 LEU CB C 77 41.000 41.000 41.046 -0.046 18032
437 1 . 1 1 77 77 LEU H H 77 8.860 8.860 8.752 0.108 18032
438 1 . 1 1 78 78 LYS N N 78 116.700 116.700 118.840 -2.140 18032
439 1 . 1 1 78 78 LYS HA H 78 4.210 4.210 3.994 0.216 18032
440 1 . 1 1 78 78 LYS C C 78 178.000 178.000 178.665 -0.665 18032
441 1 . 1 1 78 78 LYS CA C 78 59.100 59.100 59.153 -0.053 18032
442 1 . 1 1 78 78 LYS CB C 78 31.100 31.100 31.710 -0.610 18032
443 1 . 1 1 78 78 LYS H H 78 9.540 9.540 8.319 1.221 18032
444 1 . 1 1 79 79 ASN N N 79 121.500 121.500 119.700 1.800 18032
445 1 . 1 1 79 79 ASN HA H 79 4.650 4.650 4.458 0.192 18032
446 1 . 1 1 79 79 ASN C C 79 176.200 176.200 177.525 -1.325 18032
447 1 . 1 1 79 79 ASN CA C 79 54.600 54.600 55.558 -0.958 18032
448 1 . 1 1 79 79 ASN CB C 79 37.200 37.200 37.950 -0.750 18032
449 1 . 1 1 79 79 ASN H H 79 7.340 7.340 7.782 -0.442 18032
450 1 . 1 1 80 80 LEU N N 80 124.300 124.300 122.143 2.157 18032
451 1 . 1 1 80 80 LEU HA H 80 4.030 4.030 4.048 -0.018 18032
452 1 . 1 1 80 80 LEU C C 80 178.700 178.700 177.978 0.722 18032
453 1 . 1 1 80 80 LEU CA C 80 58.800 58.800 58.167 0.633 18032
454 1 . 1 1 80 80 LEU CB C 80 40.800 40.800 41.692 -0.892 18032
455 1 . 1 1 80 80 LEU H H 80 8.260 8.260 8.483 -0.223 18032
456 1 . 1 1 81 81 ALA N N 81 118.100 118.100 120.393 -2.293 18032
457 1 . 1 1 81 81 ALA HA H 81 3.870 3.870 3.923 -0.053 18032
458 1 . 1 1 81 81 ALA C C 81 177.600 177.600 179.099 -1.499 18032
459 1 . 1 1 81 81 ALA CA C 81 55.200 55.200 54.950 0.250 18032
460 1 . 1 1 81 81 ALA CB C 81 17.300 17.300 18.019 -0.719 18032
461 1 . 1 1 81 81 ALA H H 81 8.580 8.580 7.843 0.737 18032
462 1 . 1 1 82 82 ALA N N 82 119.800 119.800 121.238 -1.438 18032
463 1 . 1 1 82 82 ALA HA H 82 4.210 4.210 4.009 0.201 18032
464 1 . 1 1 82 82 ALA C C 82 180.700 180.700 179.613 1.087 18032
465 1 . 1 1 82 82 ALA CA C 82 55.400 55.400 54.770 0.630 18032
466 1 . 1 1 82 82 ALA CB C 82 17.900 17.900 18.326 -0.426 18032
467 1 . 1 1 82 82 ALA H H 82 7.230 7.230 7.662 -0.432 18032
468 1 . 1 1 83 83 ARG N N 83 118.300 118.300 118.936 -0.636 18032
469 1 . 1 1 83 83 ARG HA H 83 4.340 4.340 4.148 0.192 18032
470 1 . 1 1 83 83 ARG C C 83 180.500 180.500 179.102 1.398 18032
471 1 . 1 1 83 83 ARG CA C 83 58.500 58.500 58.402 0.098 18032
472 1 . 1 1 83 83 ARG CB C 83 31.900 31.900 29.756 2.144 18032
473 1 . 1 1 83 83 ARG H H 83 8.510 8.510 7.833 0.677 18032
474 1 . 1 1 84 84 ILE N N 84 121.300 121.300 120.083 1.217 18032
475 1 . 1 1 84 84 ILE HA H 84 3.380 3.380 3.613 -0.233 18032
476 1 . 1 1 84 84 ILE C C 84 177.300 177.300 177.627 -0.327 18032
477 1 . 1 1 84 84 ILE CA C 84 66.200 66.200 65.427 0.773 18032
478 1 . 1 1 84 84 ILE CB C 84 37.700 37.700 37.389 0.311 18032
479 1 . 1 1 84 84 ILE H H 84 8.340 8.340 8.141 0.199 18032
480 1 . 1 1 85 85 ASP N N 85 120.200 120.200 119.687 0.513 18032
481 1 . 1 1 85 85 ASP HA H 85 4.410 4.410 4.268 0.142 18032
482 1 . 1 1 85 85 ASP C C 85 180.200 180.200 178.450 1.750 18032
483 1 . 1 1 85 85 ASP CA C 85 58.000 58.000 57.487 0.513 18032
484 1 . 1 1 85 85 ASP CB C 85 39.500 39.500 40.871 -1.371 18032
485 1 . 1 1 85 85 ASP H H 85 8.330 8.330 7.897 0.433 18032
486 1 . 1 1 86 86 GLU N N 86 121.100 121.100 119.569 1.531 18032
487 1 . 1 1 86 86 GLU HA H 86 4.120 4.120 4.087 0.033 18032
488 1 . 1 1 86 86 GLU C C 86 179.800 179.800 179.189 0.611 18032
489 1 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.174 0.126 18032
490 1 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.617 -0.117 18032
491 1 . 1 1 86 86 GLU H H 86 8.060 8.060 8.019 0.041 18032
492 1 . 1 1 87 87 LEU N N 87 122.700 122.700 119.442 3.258 18032
493 1 . 1 1 87 87 LEU HA H 87 4.200 4.200 4.148 0.052 18032
494 1 . 1 1 87 87 LEU C C 87 180.500 180.500 179.227 1.273 18032
495 1 . 1 1 87 87 LEU CA C 87 58.200 58.200 57.288 0.912 18032
496 1 . 1 1 87 87 LEU CB C 87 42.100 42.100 41.974 0.126 18032
497 1 . 1 1 87 87 LEU H H 87 8.090 8.090 7.637 0.453 18032
498 1 . 1 1 88 88 VAL N N 88 122.800 122.800 119.744 3.056 18032
499 1 . 1 1 88 88 VAL HA H 88 3.540 3.540 3.698 -0.158 18032
500 1 . 1 1 88 88 VAL C C 88 179.200 179.200 177.877 1.323 18032
501 1 . 1 1 88 88 VAL CA C 88 66.800 66.800 66.158 0.643 18032
502 1 . 1 1 88 88 VAL CB C 88 32.300 32.300 31.256 1.044 18032
503 1 . 1 1 88 88 VAL H H 88 9.030 9.030 8.007 1.023 18032
504 1 . 1 1 89 89 ALA N N 89 122.900 122.900 122.025 0.875 18032
505 1 . 1 1 89 89 ALA HA H 89 4.220 4.220 4.086 0.134 18032
506 1 . 1 1 89 89 ALA C C 89 180.000 180.000 179.179 0.821 18032
507 1 . 1 1 89 89 ALA CA C 89 54.700 54.700 55.020 -0.320 18032
508 1 . 1 1 89 89 ALA CB C 89 18.000 18.000 18.162 -0.162 18032
509 1 . 1 1 89 89 ALA H H 89 8.170 8.170 7.990 0.180 18032
510 1 . 1 1 90 90 ALA N N 90 120.100 120.100 120.327 -0.227 18032
511 1 . 1 1 90 90 ALA HA H 90 4.270 4.270 4.098 0.172 18032
512 1 . 1 1 90 90 ALA C C 90 179.200 179.200 178.929 0.271 18032
513 1 . 1 1 90 90 ALA CA C 90 53.900 53.900 54.573 -0.673 18032
514 1 . 1 1 90 90 ALA CB C 90 18.500 18.500 18.405 0.095 18032
515 1 . 1 1 90 90 ALA H H 90 7.820 7.820 7.881 -0.061 18032
516 1 . 1 1 91 91 LYS N N 91 118.900 118.900 118.724 0.176 18032
517 1 . 1 1 91 91 LYS HA H 91 4.190 4.190 4.168 0.022 18032
518 1 . 1 1 91 91 LYS C C 91 178.400 178.400 178.425 -0.025 18032
519 1 . 1 1 91 91 LYS CA C 91 58.500 58.500 57.972 0.528 18032
520 1 . 1 1 91 91 LYS CB C 91 32.400 32.400 32.655 -0.255 18032
521 1 . 1 1 91 91 LYS H H 91 7.660 7.660 7.727 -0.067 18032
522 1 . 1 1 92 92 GLY N N 92 107.200 107.200 106.528 0.672 18032
523 1 . 1 1 92 92 GLY C C 92 174.700 174.700 174.696 0.004 18032
524 1 . 1 1 92 92 GLY CA C 92 46.000 46.000 45.610 0.390 18032
525 1 . 1 1 92 92 GLY H H 92 8.090 8.090 7.786 0.304 18032
526 1 . 1 1 93 93 ALA N N 93 123.300 123.300 122.216 1.084 18032
527 1 . 1 1 93 93 ALA HA H 93 4.320 4.320 4.345 -0.025 18032
528 1 . 1 1 93 93 ALA C C 93 178.300 178.300 176.779 1.521 18032
529 1 . 1 1 93 93 ALA CA C 93 53.100 53.100 52.277 0.823 18032
530 1 . 1 1 93 93 ALA CB C 93 19.000 19.000 19.465 -0.465 18032
531 1 . 1 1 93 93 ALA H H 93 7.900 7.900 7.598 0.301 18032
532 1 . 1 1 94 94 LEU N N 94 119.800 119.800 118.436 1.364 18032
533 1 . 1 1 94 94 LEU HA H 94 4.290 4.290 4.205 0.085 18032
534 1 . 1 1 94 94 LEU C C 94 177.900 177.900 176.591 1.309 18032
535 1 . 1 1 94 94 LEU CA C 94 55.900 55.900 54.597 1.303 18032
536 1 . 1 1 94 94 LEU CB C 94 42.300 42.300 41.767 0.532 18032
537 1 . 1 1 94 94 LEU H H 94 7.940 7.940 7.789 0.151 18032
538 1 . 1 1 95 95 GLU N N 95 120.100 120.100 119.327 0.773 18032
539 1 . 1 1 95 95 GLU HA H 95 4.190 4.190 4.184 0.006 18032
540 1 . 1 1 95 95 GLU C C 95 176.500 176.500 176.205 0.295 18032
541 1 . 1 1 95 95 GLU CA C 95 56.900 56.900 56.695 0.205 18032
542 1 . 1 1 95 95 GLU CB C 95 30.200 30.200 29.609 0.591 18032
543 1 . 1 1 95 95 GLU H H 95 8.130 8.130 8.406 -0.276 18032
544 1 . 1 1 96 96 HIS N N 96 119.200 119.200 119.749 -0.549 18032
545 1 . 1 1 96 96 HIS CA C 96 56.300 56.300 56.351 -0.051 18032
546 1 . 1 1 96 96 HIS CB C 96 30.300 30.300 29.271 1.029 18032
547 1 . 1 1 96 96 HIS H H 96 8.160 8.160 8.223 -0.063 18032
stop_
save_